#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 2.16 0.26 0.00 0.11 -1.26 -5.03 120.40 116.63 1apq s VAL 24 Ca 0.00 0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 58.95 1apq s VAL 24 Cb 0.00 -3.04 0.02 0.00 -1.53 0.00 0.00 36.38 31.83 1apq s VAL 24 CO 0.00 -0.02 0.66 -0.62 -3.33 0.00 0.00 175.10 171.80 1apq s ASP 25 N -1.37 -0.28 -0.74 3.54 2.15 -1.26 -5.04 116.67 113.66 1apq s ASP 25 Ca 0.80 -0.56 -0.07 0.00 0.43 0.00 0.00 52.55 53.15 1apq s ASP 25 Cb -0.37 0.69 -0.16 0.00 -0.30 0.00 0.00 42.92 42.79 1apq s ASP 25 CO 0.39 -1.26 2.99 0.18 -0.17 0.00 0.00 175.17 177.30 1apq n LEU 26 N -0.43 6.24 -4.57 -1.34 7.99 -1.26 -4.74 117.00 118.88 1apq n LEU 26 Ca -0.06 -3.44 -0.38 0.00 -0.01 0.00 0.00 56.01 52.13 1apq n LEU 26 Cb 0.60 -1.35 -0.03 0.00 -0.11 0.00 0.00 43.42 42.54 1apq n LEU 26 CO 0.16 1.57 1.66 -0.62 -1.51 0.00 0.00 177.39 178.65 1apq s ASP 27 N 2.32 6.20 -0.13 -1.43 2.15 -1.26 -4.85 116.67 119.66 1apq s ASP 27 Ca 0.60 -1.79 -0.30 0.00 0.43 0.00 0.00 52.55 51.50 1apq s ASP 27 Cb 0.22 -2.58 -0.36 0.00 -0.30 0.00 0.00 42.92 39.90 1apq s ASP 27 CO -0.03 -1.81 1.65 -0.62 -0.17 0.00 0.00 175.17 174.19 1apq n GLU 28 N 8.58 0.08 0.05 4.34 1.02 -1.26 -0.31 120.64 133.13 1apq n GLU 28 Ca 0.42 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 1apq n GLU 28 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 1apq n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1apq h ALA 30 N 0.00 -0.09 0.00 0.00 0.00 -1.68 -3.36 119.26 114.13 1apq h ALA 30 Ca 0.00 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 54.05 1apq h ALA 30 Cb 0.00 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1apq h ALA 30 CO 0.00 -0.16 3.21 0.43 0.00 0.00 0.00 179.25 182.73 1apq n SER 31 N -4.79 6.35 -3.13 0.00 7.64 0.57 -4.53 113.62 115.73 1apq n SER 31 Ca -0.08 -2.52 -0.22 0.00 1.01 0.00 0.00 58.87 57.07 1apq n SER 31 Cb 0.31 -1.36 -0.05 0.00 -1.01 0.00 0.00 64.21 62.09 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 4.35 0.71 -1.68 1.43 1.74 -1.26 -4.61 116.66 117.35 1apq n ARG 32 Ca 0.61 -3.01 -0.42 0.00 -0.77 0.00 0.00 57.85 54.26 1apq n ARG 32 Cb 0.22 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 1apq n ARG 32 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1apq s SER 33 N -1.24 6.36 -0.93 0.55 0.01 -1.26 -1.69 113.70 115.50 1apq s SER 33 Ca 0.35 2.58 -0.05 0.00 1.31 0.00 0.00 55.95 60.14 1apq s SER 33 Cb 0.18 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 1apq s SER 33 CO -0.13 -1.14 0.82 0.29 0.41 0.00 0.00 173.24 173.49 1apq n LYS 34 N 7.65 -1.99 -1.61 12.44 5.02 -1.26 -4.05 118.16 134.35 1apq n LYS 34 Ca 0.21 0.82 -0.52 0.00 -2.02 0.00 0.00 58.31 56.79 1apq n LYS 34 Cb 0.41 -5.42 -0.06 0.00 -0.02 0.00 0.00 35.03 29.94 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 -2.99 2.63 0.00 4.39 7.64 -0.68 -0.41 113.62 124.20 1apq n SER 35 Ca -0.06 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1apq n SER 35 Cb 0.60 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 5.06 3.36 0.18 0.23 0.00 -0.89 -4.78 105.19 108.34 1apq n GLY 36 Ca 0.30 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1apq n GLY 36 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1apq h GLU 37 N 0.00 -0.33 -6.15 1.61 4.81 -1.04 -3.17 114.58 110.31 1apq h GLU 37 Ca 0.00 0.02 -0.59 0.00 -0.13 0.00 0.00 59.36 58.66 1apq h GLU 37 Cb 0.00 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.35 1apq h GLU 37 CO 0.00 0.02 0.68 -1.21 -0.73 0.00 0.00 179.01 177.77 1apq s GLU 38 N -4.23 3.45 -0.01 1.92 2.02 -0.34 -4.56 118.70 116.94 1apq s GLU 38 Ca -0.14 0.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 1apq s GLU 38 Cb 0.02 -4.00 0.01 0.00 0.10 0.00 0.00 34.13 30.25 1apq s GLU 38 CO 0.52 -1.44 0.03 -3.47 0.02 0.00 0.00 175.26 170.91 1apq n ASP 39 N 7.60 -4.20 -3.64 -0.19 2.03 -1.26 -4.33 116.55 112.56 1apq n ASP 39 Ca 0.05 0.73 -0.41 0.00 0.52 0.00 0.00 54.79 55.68 1apq n ASP 39 Cb 0.48 -2.78 -0.02 0.00 -0.72 0.00 0.00 41.12 38.08 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 0.76 2.55 -3.88 -0.67 -0.04 -1.20 -2.09 135.00 130.43 1apq n PRO 40 Ca -0.05 -2.33 -0.09 0.00 -0.04 0.00 0.00 63.50 61.00 1apq n PRO 40 Cb 0.07 -3.12 -0.08 0.00 -0.04 0.00 0.00 33.50 30.34 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 3.57 0.79 0.00 0.54 -0.21 -1.26 -5.02 119.66 118.08 1apq s GLN 41 Ca 0.51 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1apq s GLN 41 Cb 0.14 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.47 1apq s GLN 41 CO -0.03 -0.24 0.00 -0.35 -2.12 0.00 0.00 175.29 172.55 1apq n PRO 42 N 0.06 -0.24 -4.61 2.91 -0.04 -1.26 -3.81 135.00 128.02 1apq n PRO 42 Ca -0.15 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1apq n PRO 42 Cb 0.62 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.97 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 -2.30 2.66 0.75 0.54 -1.52 -1.26 -4.90 119.66 113.63 1apq s GLN 43 Ca 0.00 -0.61 -0.11 0.00 -1.95 0.00 0.00 55.36 52.68 1apq s GLN 43 Cb 0.00 -2.54 0.04 0.00 -0.22 0.00 0.00 33.01 30.29 1apq s GLN 43 CO 0.00 0.64 1.09 0.00 -0.25 0.00 0.00 175.29 176.77 1apq h GLN 45 N -0.90 -0.65 0.00 0.00 4.15 -1.45 -3.45 115.11 112.81 1apq h GLN 45 Ca -0.46 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1apq h GLN 45 Cb 1.25 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1apq h GLN 45 CO 0.60 -0.44 0.00 0.72 -1.93 0.00 0.00 178.83 177.79 1apq n HIS 46 N -3.87 0.00 -4.17 3.99 8.25 -1.26 -5.08 115.22 113.08 1apq n HIS 46 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.21 1apq n HIS 46 Cb 0.27 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 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 -3.42 2.33 0.39 2.41 0.05 -0.95 -5.05 118.68 114.44 1apq s LEU 47 Ca 0.00 -0.70 0.08 0.00 0.05 0.00 0.00 54.13 53.56 1apq s LEU 47 Cb 0.00 -0.40 -0.03 0.00 -2.05 0.00 0.00 46.19 43.71 1apq s LEU 47 CO 0.00 -0.17 0.28 0.00 -0.55 0.00 0.00 176.35 175.92 1apq s HIS 49 N -2.46 1.09 0.11 0.00 3.76 0.52 -4.84 115.29 113.46 1apq s HIS 49 Ca 0.44 -1.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 1apq s HIS 49 Cb -0.02 -0.40 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 1apq s HIS 49 CO 0.26 -0.78 -0.09 -0.80 -0.85 0.00 0.00 174.74 172.47 1apq s ASN 50 N -3.17 1.48 -0.03 1.40 0.02 -1.26 -2.94 114.94 110.45 1apq s ASN 50 Ca 0.35 -0.92 -0.25 0.00 -1.02 0.00 0.00 52.86 51.02 1apq s ASN 50 Cb 0.04 0.02 0.08 0.00 0.02 0.00 0.00 41.25 41.42 1apq s ASN 50 CO 0.14 -0.33 1.13 0.00 0.02 0.00 0.00 177.10 178.06 1apq n TYR 51 N 0.18 -0.31 -1.68 2.20 4.11 -0.28 -4.91 117.16 116.47 1apq n TYR 51 Ca -0.13 -0.60 -0.44 0.00 -0.00 0.00 0.00 57.90 56.72 1apq n TYR 51 Cb 0.59 0.27 -0.02 0.00 -0.00 0.00 0.00 39.34 40.18 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 -0.82 1.18 0.00 -3.48 3.14 -1.26 -0.73 118.33 116.37 1apq n VAL 52 Ca 0.04 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1apq n VAL 52 Cb 0.51 -1.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 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 1.87 2.99 0.00 7.55 0.00 -1.26 -4.76 105.19 111.57 1apq n GLY 53 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.40 0.97 3.43 -0.02 0.00 0.09 -5.11 105.19 104.15 1apq n GLY 54 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 0.56 0.37 1.61 1.13 -1.26 -1.12 117.35 118.64 1apq s TYR 55 Ca 0.00 -0.89 -0.10 0.00 -1.41 0.00 0.00 57.07 54.67 1apq s TYR 55 Cb 0.00 -0.06 0.04 0.00 -1.10 0.00 0.00 41.96 40.84 1apq s TYR 55 CO 0.00 -0.83 0.68 1.97 -2.51 0.00 0.00 175.55 174.85 1apq n PHE 56 N -0.31 -2.05 -4.26 -3.49 -1.74 -1.15 -4.92 117.46 99.54 1apq n PHE 56 Ca -0.02 -1.96 -0.19 0.00 -0.56 0.00 0.00 57.45 54.72 1apq n PHE 56 Cb 0.63 0.79 -0.08 0.00 1.52 0.00 0.00 39.48 42.34 1apq n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1apq s SER 58 N -3.35 0.03 0.20 0.00 0.01 0.04 -4.88 113.70 105.75 1apq s SER 58 Ca 0.40 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.70 1apq s SER 58 Cb 0.02 0.69 -0.05 0.00 0.21 0.00 0.00 66.02 66.89 1apq s SER 58 CO 0.26 -1.32 0.07 0.00 0.41 0.00 0.00 173.24 172.66 1apq s ARG 60 N -4.03 1.87 0.76 0.00 0.52 -1.26 -4.91 118.95 111.90 1apq s ARG 60 Ca 0.32 1.20 -0.15 0.00 -0.52 0.00 0.00 55.73 56.58 1apq s ARG 60 Cb 0.07 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.71 1apq s ARG 60 CO 0.09 -1.93 0.93 -2.30 0.02 0.00 0.00 175.30 172.11 1apq n PRO 61 N -3.72 0.35 -0.97 3.54 -0.02 -1.26 -2.13 135.00 130.79 1apq n PRO 61 Ca 0.09 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1apq n PRO 61 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.06 0.84 3.16 -1.23 0.00 -1.26 -5.00 105.19 102.76 1apq n GLY 62 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.45 0.93 -0.02 1.61 1.51 -0.91 -1.35 117.35 115.68 1apq s TYR 63 Ca 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 1apq s TYR 63 Cb 0.00 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.35 1apq s TYR 63 CO 0.00 -0.08 0.02 -1.21 -1.11 0.00 0.00 175.55 173.16 1apq s GLU 64 N -3.25 0.06 -0.02 -0.62 0.41 0.24 -4.69 118.70 110.81 1apq s GLU 64 Ca 0.08 0.13 -0.30 0.00 -0.41 0.00 0.00 54.97 54.46 1apq s GLU 64 Cb 0.01 -0.27 -0.05 0.00 -1.78 0.00 0.00 34.13 32.04 1apq s GLU 64 CO -0.02 -0.13 1.36 -1.17 -0.49 0.00 0.00 175.26 174.81 1apq s LEU 65 N 0.89 4.30 0.68 1.80 1.98 -1.26 -1.18 118.68 125.89 1apq s LEU 65 Ca -0.08 2.03 -0.06 0.00 -2.89 0.00 0.00 54.13 53.13 1apq s LEU 65 Cb -0.11 -3.56 0.05 0.00 0.66 0.00 0.00 46.19 43.23 1apq s LEU 65 CO -0.02 -0.70 0.99 -1.10 -1.89 0.00 0.00 176.35 173.62 1apq s GLN 66 N 2.51 2.30 0.00 1.98 -1.52 0.06 -4.95 119.66 120.04 1apq s GLN 66 Ca 0.62 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.77 1apq s GLN 66 Cb -0.29 -2.20 0.00 0.00 -0.22 0.00 0.00 33.01 30.29 1apq s GLN 66 CO 0.25 -1.14 0.51 -0.85 -0.25 0.00 0.00 175.29 173.80 1apq n GLU 67 N -2.84 0.00 -0.06 2.91 0.00 -1.26 -1.10 120.64 118.29 1apq n GLU 67 Ca 0.08 0.03 0.12 0.00 0.00 0.00 0.00 57.16 57.39 1apq n GLU 67 Cb 0.60 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 30.88 1apq n GLU 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1apq n ASP 68 N -1.01 2.20 0.00 -1.84 5.75 -1.26 -4.96 116.55 115.43 1apq n ASP 68 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1apq n ASP 68 Cb 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1apq n ASP 68 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1apq n ARG 69 N 0.69 0.00 -0.08 0.11 1.74 -0.26 -4.54 116.66 114.33 1apq n ARG 69 Ca 0.17 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1apq n ARG 69 Cb 0.44 -0.97 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.33 0.00 -2.92 -1.55 8.25 -1.26 -4.01 115.22 113.39 1apq n HIS 70 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1apq n HIS 70 Cb 0.00 -0.58 -0.06 0.00 1.12 0.00 0.00 29.99 30.47 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 -5.95 7.16 -0.11 0.41 0.01 -1.26 -1.07 113.70 112.89 1apq s SER 71 Ca -0.21 1.63 0.03 0.00 1.31 0.00 0.00 55.95 58.72 1apq s SER 71 Cb 0.07 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1apq s SER 71 CO 0.31 -0.07 -0.23 0.00 0.41 0.00 0.00 173.24 173.67 1apq s GLN 73 N 0.43 3.06 -0.44 0.00 -0.21 -0.32 -4.85 119.66 117.32 1apq s GLN 73 Ca -0.16 -0.39 -0.20 0.00 0.02 0.00 0.00 55.36 54.63 1apq s GLN 73 Cb -0.17 -2.51 0.03 0.00 1.00 0.00 0.00 33.01 31.36 1apq s GLN 73 CO 0.07 -0.34 0.60 0.00 -2.12 0.00 0.00 175.29 173.51 1apq s ALA 74 N -2.63 3.36 0.00 6.09 0.00 -1.26 -0.60 121.76 126.72 1apq s ALA 74 Ca 0.49 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1apq s ALA 74 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1apq s ALA 74 CO 0.39 -1.77 0.00 -0.85 0.00 0.00 0.00 175.76 173.53