#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 3.66 -1.52 0.00 3.14 -1.26 -4.81 118.33 117.54 1apq n VAL 24 Ca 0.00 -2.13 -0.42 0.00 -2.96 0.00 0.00 64.34 58.83 1apq n VAL 24 Cb 0.00 -2.40 -0.02 0.00 -1.06 0.00 0.00 33.84 30.36 1apq n VAL 24 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1apq n ASP 25 N 3.52 3.88 -3.84 6.55 8.00 -1.26 -4.80 116.55 128.60 1apq n ASP 25 Ca 0.65 -2.76 -0.09 0.00 0.71 0.00 0.00 54.79 53.29 1apq n ASP 25 Cb 0.32 -1.49 -0.04 0.00 -0.02 0.00 0.00 41.12 39.88 1apq n ASP 25 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1apq s LEU 26 N 1.72 0.33 -0.02 0.64 0.05 -1.26 -5.05 118.68 115.09 1apq s LEU 26 Ca 0.51 -0.98 0.07 0.00 0.05 0.00 0.00 54.13 53.79 1apq s LEU 26 Cb 0.14 1.88 -0.02 0.00 -2.05 0.00 0.00 46.19 46.14 1apq s LEU 26 CO -0.03 -1.21 -0.24 -0.62 -0.55 0.00 0.00 176.35 173.70 1apq s ASP 27 N -3.04 3.21 -1.36 1.48 2.15 -1.26 -4.78 116.67 113.07 1apq s ASP 27 Ca 0.22 -0.44 -0.17 0.00 0.43 0.00 0.00 52.55 52.59 1apq s ASP 27 Cb -0.01 -0.41 0.17 0.00 -0.30 0.00 0.00 42.92 42.37 1apq s ASP 27 CO 0.10 0.32 0.43 1.21 -0.17 0.00 0.00 175.17 177.06 1apq n GLU 28 N 2.36 -0.85 -1.21 4.34 2.13 -1.26 -0.76 120.64 125.39 1apq n GLU 28 Ca -0.16 0.10 -0.10 0.00 0.66 0.00 0.00 57.16 57.66 1apq n GLU 28 Cb 0.51 -3.53 -0.04 0.00 0.27 0.00 0.00 31.44 28.65 1apq n GLU 28 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1apq n ALA 30 N 0.84 0.92 -1.04 0.00 0.00 0.06 -4.55 120.51 116.74 1apq n ALA 30 Ca -0.10 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.38 1apq n ALA 30 Cb 0.48 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.75 4.37 -3.57 0.00 7.64 -1.20 -4.80 113.62 112.31 1apq n SER 31 Ca -0.34 -2.52 -0.13 0.00 1.01 0.00 0.00 58.87 56.88 1apq n SER 31 Cb 0.94 -1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 1apq n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1apq s ARG 32 N 3.81 1.05 -1.10 1.43 1.70 -1.26 -4.76 118.95 119.81 1apq s ARG 32 Ca 0.49 -0.29 -0.15 0.00 -0.47 0.00 0.00 55.73 55.31 1apq s ARG 32 Cb 0.13 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.91 1apq s ARG 32 CO 0.01 -0.39 2.18 -1.13 -1.08 0.00 0.00 175.30 174.90 1apq n SER 33 N 0.31 4.21 -4.48 -2.89 3.41 -1.26 -4.92 113.62 108.01 1apq n SER 33 Ca -0.18 -2.63 -0.45 0.00 -0.26 0.00 0.00 58.87 55.34 1apq n SER 33 Cb 0.61 -1.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 1apq n SER 33 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1apq n LYS 34 N 5.72 0.84 -4.04 4.33 5.02 -1.26 -1.15 118.16 127.62 1apq n LYS 34 Ca 0.53 0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 56.69 1apq n LYS 34 Cb 0.32 -2.49 -0.02 0.00 -0.02 0.00 0.00 35.03 32.81 1apq n LYS 34 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1apq n SER 35 N 11.38 -1.47 -3.50 4.39 7.64 0.61 -4.81 113.62 127.88 1apq n SER 35 Ca 0.45 -1.00 -0.37 0.00 1.01 0.00 0.00 58.87 58.96 1apq n SER 35 Cb 0.26 -2.97 -0.05 0.00 -1.01 0.00 0.00 64.21 60.44 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 -1.80 2.50 6.59 0.23 0.00 -0.30 -4.84 105.19 107.56 1apq n GLY 36 Ca -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 6.42 0.00 -1.10 1.61 1.02 -1.26 -3.15 120.64 124.18 1apq n GLU 37 Ca 0.46 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.38 1apq n GLU 37 Cb 0.33 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.65 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 0.00 2.65 -3.01 3.49 1.02 -1.26 -4.39 120.64 119.14 1apq n GLU 38 Ca 0.00 -1.48 0.01 0.00 -0.02 0.00 0.00 57.16 55.68 1apq n GLU 38 Cb 0.00 -2.33 -0.00 0.00 -0.02 0.00 0.00 31.44 29.09 1apq n GLU 38 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1apq s ASP 39 N 2.13 -0.99 -1.10 1.62 2.15 -1.19 -5.08 116.67 114.21 1apq s ASP 39 Ca 0.66 -0.49 -0.20 0.00 0.43 0.00 0.00 52.55 52.95 1apq s ASP 39 Cb 0.25 1.28 -0.06 0.00 -0.30 0.00 0.00 42.92 44.08 1apq s ASP 39 CO -0.03 -0.11 1.97 -0.81 -0.17 0.00 0.00 175.17 176.02 1apq n PRO 40 N 4.11 2.09 -3.62 4.34 -0.04 -1.26 -2.71 135.00 137.90 1apq n PRO 40 Ca 0.08 -2.38 -0.29 0.00 -0.04 0.00 0.00 63.50 60.88 1apq n PRO 40 Cb 0.60 -3.28 -0.09 0.00 -0.04 0.00 0.00 33.50 30.69 1apq n PRO 40 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1apq n GLN 41 N 7.32 2.32 -0.84 0.54 7.27 -1.26 -4.95 117.38 127.78 1apq n GLN 41 Ca 0.49 -4.59 -0.08 0.00 0.07 0.00 0.00 57.00 52.89 1apq n GLN 41 Cb 0.42 -2.29 -0.10 0.00 2.41 0.00 0.00 30.24 30.68 1apq n GLN 41 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1apq n PRO 42 N 1.41 1.65 -2.58 3.69 -0.04 -1.26 -0.28 135.00 137.60 1apq n PRO 42 Ca 0.25 -0.72 -0.43 0.00 -0.04 0.00 0.00 63.50 62.57 1apq n PRO 42 Cb 0.38 -1.64 -0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1apq n PRO 42 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1apq s GLN 43 N 0.44 3.94 0.00 0.54 -1.52 -1.26 -4.22 119.66 117.58 1apq s GLN 43 Ca 0.42 -1.90 0.00 0.00 -1.95 0.00 0.00 55.36 51.92 1apq s GLN 43 Cb 0.21 -5.51 0.00 0.00 -0.22 0.00 0.00 33.01 27.48 1apq s GLN 43 CO -0.01 -2.25 0.00 0.00 -0.25 0.00 0.00 175.29 172.78 1apq h GLN 45 N 0.00 0.92 0.00 0.00 7.50 -1.18 -3.41 115.11 118.93 1apq h GLN 45 Ca 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1apq h GLN 45 Cb 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.32 1apq h GLN 45 CO 0.00 0.61 0.00 0.72 -1.50 0.00 0.00 178.83 178.66 1apq n HIS 46 N -4.48 0.00 -3.94 2.96 8.25 -1.26 -4.99 115.22 111.76 1apq n HIS 46 Ca 0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.49 1apq n HIS 46 Cb 0.19 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.50 1.43 0.29 2.41 -0.00 -1.05 -5.02 118.68 116.25 1apq s LEU 47 Ca 0.00 -0.81 0.07 0.00 -0.00 0.00 0.00 54.13 53.39 1apq s LEU 47 Cb 0.00 0.92 -0.06 0.00 -0.00 0.00 0.00 46.19 47.05 1apq s LEU 47 CO 0.00 -0.76 -0.06 0.00 -0.00 0.00 0.00 176.35 175.53 1apq s HIS 49 N -2.96 0.59 0.78 0.00 3.76 0.40 -4.94 115.29 112.92 1apq s HIS 49 Ca 0.30 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 1apq s HIS 49 Cb 0.04 -0.61 0.06 0.00 1.11 0.00 0.00 32.58 33.17 1apq s HIS 49 CO 0.13 -0.20 1.08 -0.80 -0.85 0.00 0.00 174.74 174.10 1apq s ASN 50 N 1.16 4.57 0.03 1.40 0.02 -1.26 -0.83 114.94 120.04 1apq s ASN 50 Ca -0.07 1.60 -0.27 0.00 -1.02 0.00 0.00 52.86 53.10 1apq s ASN 50 Cb -0.14 -2.36 0.09 0.00 0.02 0.00 0.00 41.25 38.87 1apq s ASN 50 CO -0.01 -1.96 1.22 -0.72 0.02 0.00 0.00 177.10 175.65 1apq s TYR 51 N -3.00 0.02 0.25 2.20 1.13 -0.45 -4.82 117.35 112.67 1apq s TYR 51 Ca 0.61 -0.21 -0.31 0.00 -1.41 0.00 0.00 57.07 55.75 1apq s TYR 51 Cb -0.16 0.59 -0.13 0.00 -1.10 0.00 0.00 41.96 41.17 1apq s TYR 51 CO 0.56 -0.44 1.48 1.55 -2.51 0.00 0.00 175.55 176.19 1apq n VAL 52 N -0.78 0.86 0.00 -3.49 3.14 -1.26 -0.82 118.33 115.98 1apq n VAL 52 Ca -0.00 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 1apq n VAL 52 Cb 0.59 -1.62 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 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 2.32 3.12 0.00 7.55 0.00 -1.26 -4.72 105.19 112.21 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 -1.12 0.18 3.45 -0.02 0.00 0.00 -5.11 105.19 102.59 1apq n GLY 54 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.50 0.11 1.61 -0.85 -1.26 -1.35 117.35 115.12 1apq s TYR 55 Ca 0.00 0.38 0.08 0.00 -0.52 0.00 0.00 57.07 57.01 1apq s TYR 55 Cb 0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1apq s TYR 55 CO 0.00 -0.74 -0.20 -0.59 -1.52 0.00 0.00 175.55 172.50 1apq s PHE 56 N -3.28 1.75 0.60 -3.49 -0.71 -0.01 -4.91 117.98 107.92 1apq s PHE 56 Ca 0.01 -0.43 -0.01 0.00 -1.04 0.00 0.00 56.93 55.46 1apq s PHE 56 Cb -0.01 -0.95 0.05 0.00 -1.21 0.00 0.00 43.02 40.90 1apq s PHE 56 CO -0.10 0.21 0.84 0.00 -1.34 0.00 0.00 175.22 174.84 1apq s SER 58 N -4.47 -0.11 0.19 0.00 0.01 -0.14 -4.88 113.70 104.30 1apq s SER 58 Ca 0.59 -0.90 0.05 0.00 1.31 0.00 0.00 55.95 56.99 1apq s SER 58 Cb -0.10 0.79 -0.05 0.00 0.21 0.00 0.00 66.02 66.87 1apq s SER 58 CO 0.40 -1.53 -0.07 0.00 0.41 0.00 0.00 173.24 172.45 1apq s ARG 60 N -3.78 2.82 0.63 0.00 0.52 -1.26 -4.94 118.95 112.95 1apq s ARG 60 Ca 0.23 1.54 -0.18 0.00 -0.52 0.00 0.00 55.73 56.80 1apq s ARG 60 Cb 0.03 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 1apq s ARG 60 CO 0.05 -1.26 0.92 -2.30 0.02 0.00 0.00 175.30 172.74 1apq n PRO 61 N -2.15 0.78 -0.28 3.54 -0.02 -1.26 -2.51 135.00 133.10 1apq n PRO 61 Ca 0.11 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1apq n PRO 61 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.31 1.45 3.28 -1.23 0.00 -1.26 -5.03 105.19 103.71 1apq n GLY 62 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.92 1.65 0.11 1.61 1.51 -1.04 -4.56 117.35 113.71 1apq s TYR 63 Ca 0.00 -0.47 0.10 0.00 -1.01 0.00 0.00 57.07 55.69 1apq s TYR 63 Cb 0.00 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1apq s TYR 63 CO 0.00 0.22 -0.25 -1.21 -1.11 0.00 0.00 175.55 173.20 1apq s GLU 64 N -2.36 1.36 -0.47 -0.62 0.41 0.48 -4.74 118.70 112.77 1apq s GLU 64 Ca 0.09 -1.27 -0.19 0.00 -0.41 0.00 0.00 54.97 53.19 1apq s GLU 64 Cb -0.07 -1.76 0.04 0.00 -1.78 0.00 0.00 34.13 30.55 1apq s GLU 64 CO 0.05 0.42 0.60 -1.17 -0.49 0.00 0.00 175.26 174.66 1apq s LEU 65 N -1.93 4.77 0.92 1.80 1.98 -1.26 -1.85 118.68 123.11 1apq s LEU 65 Ca 0.12 -0.66 -0.13 0.00 -2.89 0.00 0.00 54.13 50.57 1apq s LEU 65 Cb -0.10 -2.53 0.15 0.00 0.66 0.00 0.00 46.19 44.36 1apq s LEU 65 CO 0.05 -0.79 1.14 -1.10 -1.89 0.00 0.00 176.35 173.76 1apq s GLN 66 N 2.61 1.02 0.60 1.98 1.11 -0.89 -4.87 119.66 121.22 1apq s GLN 66 Ca 0.17 0.27 0.29 0.00 0.01 0.00 0.00 55.36 56.10 1apq s GLN 66 Cb -0.17 -1.83 1.54 0.00 -1.01 0.00 0.00 33.01 31.54 1apq s GLN 66 CO 0.15 -2.27 1.94 0.93 0.01 0.00 0.00 175.29 176.05 1apq h GLU 67 N -1.55 0.00 0.00 2.91 3.07 -1.97 0.12 114.58 117.16 1apq h GLU 67 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 1apq h GLU 67 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1apq h GLU 67 CO 0.60 0.00 0.00 0.38 -1.40 0.00 0.00 179.01 178.59 1apq h ASP 68 N 0.00 0.00 -0.40 1.42 2.03 -1.91 -3.47 116.42 114.08 1apq h ASP 68 Ca 0.16 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.28 1apq h ASP 68 Cb 0.96 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.39 1apq h ASP 68 CO -0.00 0.00 -0.16 -2.11 -1.03 0.00 0.00 179.24 175.94 1apq n ARG 69 N -2.40 -1.25 0.00 4.15 1.85 0.43 -4.72 116.66 114.72 1apq n ARG 69 Ca 0.03 0.74 0.00 0.00 -1.00 0.00 0.00 57.85 57.61 1apq n ARG 69 Cb 0.29 -4.87 0.00 0.00 -1.05 0.00 0.00 32.46 26.83 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1apq n HIS 70 N -2.42 0.00 -3.07 2.89 8.25 -1.26 -4.46 115.22 115.15 1apq n HIS 70 Ca -0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.98 1apq n HIS 70 Cb 0.44 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.26 7.02 -0.53 0.41 0.01 -1.26 -0.88 113.70 116.21 1apq s SER 71 Ca 0.00 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1apq s SER 71 Cb 0.00 -2.41 0.14 0.00 0.21 0.00 0.00 66.02 63.96 1apq s SER 71 CO 0.00 -0.04 0.31 0.00 0.41 0.00 0.00 173.24 173.92 1apq s GLN 73 N 0.11 3.04 -1.39 0.00 -0.21 -0.77 -4.79 119.66 115.66 1apq s GLN 73 Ca 0.15 -0.49 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 1apq s GLN 73 Cb -0.22 -2.55 0.09 0.00 1.00 0.00 0.00 33.01 31.33 1apq s GLN 73 CO -0.03 -0.30 2.17 0.00 -2.12 0.00 0.00 175.29 175.02 1apq n ALA 74 N -2.10 5.82 0.00 6.09 0.00 -1.26 -0.38 120.51 128.67 1apq n ALA 74 Ca 0.02 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1apq n ALA 74 Cb 0.58 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.82 1apq n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89