#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7i s LYS 9 N 0.00 0.96 0.66 3.52 1.02 -1.26 -2.38 119.74 122.25 1a7i s LYS 9 Ca 0.00 -0.42 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1a7i s LYS 9 Cb 0.00 -0.92 -0.02 0.00 -0.52 0.00 0.00 37.83 36.37 1a7i s LYS 9 CO 0.00 0.25 1.04 0.00 -0.92 0.00 0.00 175.35 175.73 1a7i h GLY 11 N -0.49 0.00 0.00 0.00 0.00 -1.94 -3.26 103.07 97.39 1a7i h GLY 11 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1a7i h GLY 11 CO 0.59 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.13 1a7i n ALA 12 N -2.23 0.00 -1.00 3.60 0.00 -1.26 -4.86 120.51 114.76 1a7i n ALA 12 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1a7i n ALA 12 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1a7i n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a7i n GLY 14 N 0.36 1.81 0.61 0.00 0.00 -1.23 -4.90 105.19 101.84 1a7i n GLY 14 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1a7i n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a7i n ARG 15 N -0.02 -1.28 -3.10 1.61 5.12 -1.26 -4.55 116.66 113.18 1a7i n ARG 15 Ca 0.00 -0.30 -0.43 0.00 -1.93 0.00 0.00 57.85 55.18 1a7i n ARG 15 Cb 0.00 -0.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.96 1a7i n ARG 15 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1a7i s THR 16 N -1.35 4.79 0.11 0.55 2.01 -1.26 -3.65 115.64 116.84 1a7i s THR 16 Ca 0.12 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.61 1a7i s THR 16 Cb -0.01 -4.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.10 1a7i s THR 16 CO 0.09 -0.84 0.62 0.68 -0.69 0.00 0.00 174.62 174.48 1a7i s VAL 17 N 2.86 4.66 0.00 3.82 -7.23 -1.00 -4.88 120.40 118.64 1a7i s VAL 17 Ca 0.18 1.28 0.00 0.00 -1.81 0.00 0.00 61.98 61.64 1a7i s VAL 17 Cb -0.18 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 32.84 1a7i s VAL 17 CO 0.14 0.50 0.00 0.00 -0.31 0.00 0.00 175.10 175.42 1a7i n TYR 18 N 1.54 -0.38 0.12 2.82 9.36 -1.26 -2.45 117.16 126.91 1a7i n TYR 18 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1a7i n TYR 18 Cb 0.50 0.16 0.00 0.00 -0.63 0.00 0.00 39.34 39.37 1a7i n TYR 18 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1a7i n HIS 19 N -1.47 -2.03 0.06 2.98 -0.00 -1.26 -4.85 115.22 108.65 1a7i n HIS 19 Ca 0.00 0.36 -0.12 0.00 0.46 0.00 0.00 57.72 58.42 1a7i n HIS 19 Cb 0.00 0.54 -0.08 0.00 -0.12 0.00 0.00 29.99 30.32 1a7i n HIS 19 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1a7i h ALA 20 N 0.00 -0.21 -0.55 1.57 0.00 -1.98 -3.31 119.26 114.77 1a7i h ALA 20 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 54.91 54.30 1a7i h ALA 20 Cb 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.71 1a7i h ALA 20 CO 0.00 -0.34 0.48 -0.85 0.00 0.00 0.00 179.25 178.54 1a7i n GLU 21 N -4.95 1.95 -3.90 0.00 0.00 -1.26 -4.85 120.64 107.64 1a7i n GLU 21 Ca -0.08 -1.84 -0.10 0.00 0.00 0.00 0.00 57.16 55.14 1a7i n GLU 21 Cb 0.27 -1.73 -0.09 0.00 0.00 0.00 0.00 31.44 29.89 1a7i n GLU 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1a7i s GLU 22 N -2.09 0.64 -0.01 3.44 4.04 -1.25 -2.43 118.70 121.04 1a7i s GLU 22 Ca 0.37 -0.73 0.03 0.00 0.04 0.00 0.00 54.97 54.68 1a7i s GLU 22 Cb 0.29 0.26 -0.00 0.00 0.02 0.00 0.00 34.13 34.69 1a7i s GLU 22 CO -0.02 -0.17 -0.10 0.08 -1.84 0.00 0.00 175.26 173.22 1a7i s VAL 23 N -2.68 0.78 -0.02 1.83 1.01 -1.12 -4.75 120.40 115.46 1a7i s VAL 23 Ca -0.04 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1a7i s VAL 23 Cb -0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1a7i s VAL 23 CO -0.05 0.23 0.59 -1.10 0.00 0.00 0.00 175.10 174.77 1a7i s GLN 24 N -0.09 4.31 -0.37 2.72 -0.21 -1.26 -2.95 119.66 121.81 1a7i s GLN 24 Ca 0.01 0.71 0.02 0.00 0.02 0.00 0.00 55.36 56.13 1a7i s GLN 24 Cb -0.05 -3.35 0.15 0.00 1.00 0.00 0.00 33.01 30.76 1a7i s GLN 24 CO -0.00 0.35 0.29 0.00 -2.12 0.00 0.00 175.29 173.81 1a7i n ASP 26 N 3.79 0.00 -0.01 0.00 2.03 -1.26 -3.30 116.55 117.80 1a7i n ASP 26 Ca 0.16 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.29 1a7i n ASP 26 Cb 0.42 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.68 1a7i n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a7i n GLY 27 N 0.00 -0.65 3.59 0.27 0.00 -1.26 -4.94 105.19 102.20 1a7i n GLY 27 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1a7i n GLY 27 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a7i n ARG 28 N -3.36 0.61 -4.36 1.61 0.00 -1.21 -5.14 116.66 104.80 1a7i n ARG 28 Ca -0.29 -2.85 -0.18 0.00 -0.00 0.00 0.00 57.85 54.52 1a7i n ARG 28 Cb 1.05 -0.24 -0.10 0.00 -0.00 0.00 0.00 32.46 33.17 1a7i n ARG 28 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1a7i s SER 29 N -4.32 2.04 0.30 2.89 0.01 -1.26 -2.15 113.70 111.21 1a7i s SER 29 Ca 0.56 -1.24 0.03 0.00 1.31 0.00 0.00 55.95 56.61 1a7i s SER 29 Cb -0.04 -0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.10 1a7i s SER 29 CO 0.36 -0.51 0.05 -0.36 0.41 0.00 0.00 173.24 173.19 1a7i s PHE 30 N -3.35 1.86 0.45 2.43 0.08 -1.15 -4.36 117.98 113.93 1a7i s PHE 30 Ca 0.30 -0.98 -0.24 0.00 0.12 0.00 0.00 56.93 56.14 1a7i s PHE 30 Cb 0.06 -1.18 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 1a7i s PHE 30 CO 0.10 -0.04 1.22 -1.01 -0.10 0.00 0.00 175.22 175.40 1a7i s HIS 31 N -3.37 2.83 0.23 0.36 3.76 -1.04 -2.81 115.29 115.25 1a7i s HIS 31 Ca 0.36 1.49 -0.15 0.00 -0.15 0.00 0.00 55.06 56.61 1a7i s HIS 31 Cb 0.08 -3.49 0.27 0.00 1.11 0.00 0.00 32.58 30.55 1a7i s HIS 31 CO 0.14 -1.76 1.58 -0.09 -0.85 0.00 0.00 174.74 173.77 1a7i h ARG 32 N 2.22 -0.04 0.06 1.40 2.43 -1.77 -2.78 114.38 115.90 1a7i h ARG 32 Ca -0.49 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.42 1a7i h ARG 32 Cb 1.25 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1a7i h ARG 32 CO 0.61 -0.03 -1.40 0.00 -1.51 0.00 0.00 179.97 177.64 1a7i s PHE 35 N 1.28 2.21 0.19 0.00 5.36 -1.06 -2.50 117.98 123.45 1a7i s PHE 35 Ca 0.42 -0.94 -0.05 0.00 -0.96 0.00 0.00 56.93 55.40 1a7i s PHE 35 Cb 0.01 -1.52 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 1a7i s PHE 35 CO 0.00 -0.42 0.21 -0.48 -1.46 0.00 0.00 175.22 173.08 1a7i s LEU 36 N 0.58 1.10 0.12 6.12 -0.00 -1.26 -1.99 118.68 123.35 1a7i s LEU 36 Ca -0.14 -1.16 -0.30 0.00 -0.00 0.00 0.00 54.13 52.52 1a7i s LEU 36 Cb -0.17 0.78 -0.07 0.00 -0.00 0.00 0.00 46.19 46.74 1a7i s LEU 36 CO 0.05 -0.88 1.18 0.00 -0.00 0.00 0.00 176.35 176.70 1a7i n MET 38 N 3.26 0.11 0.00 0.00 1.56 -0.65 -3.20 117.12 118.20 1a7i n MET 38 Ca 0.07 0.08 0.00 0.00 -0.27 0.00 0.00 57.70 57.58 1a7i n MET 38 Cb 0.46 -1.62 0.00 0.00 2.15 0.00 0.00 33.22 34.21 1a7i n MET 38 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1a7i n VAL 39 N -1.80 0.00 0.03 1.12 0.31 -1.17 -4.81 118.33 112.01 1a7i n VAL 39 Ca 0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.20 1a7i n VAL 39 Cb 0.38 -0.40 -0.12 0.00 -0.91 0.00 0.00 33.84 32.78 1a7i n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a7i n ARG 41 N -4.11 0.00 -2.28 0.00 5.12 -1.19 -5.04 116.66 109.16 1a7i n ARG 41 Ca -0.12 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.53 1a7i n ARG 41 Cb 0.77 -0.94 0.03 0.00 -1.16 0.00 0.00 32.46 31.16 1a7i n ARG 41 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1a7i s LYS 42 N -2.61 3.00 -0.82 5.56 2.36 -1.26 -4.84 119.74 121.13 1a7i s LYS 42 Ca 0.00 0.16 -0.25 0.00 -2.55 0.00 0.00 55.97 53.32 1a7i s LYS 42 Cb 0.00 -2.22 0.01 0.00 -1.05 0.00 0.00 37.83 34.58 1a7i s LYS 42 CO 0.00 -0.72 1.56 -0.80 1.55 0.00 0.00 175.35 176.94 1a7i s ASN 43 N -4.29 5.89 0.36 1.43 0.01 -1.26 -3.79 114.94 113.29 1a7i s ASN 43 Ca 0.54 -0.59 0.07 0.00 -0.71 0.00 0.00 52.86 52.17 1a7i s ASN 43 Cb -0.11 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 38.99 1a7i s ASN 43 CO 0.47 -2.02 0.50 -0.22 -1.51 0.00 0.00 177.10 174.32 1a7i s LEU 44 N 6.97 3.88 0.00 0.60 2.96 -0.84 -5.05 118.68 127.20 1a7i s LEU 44 Ca 0.51 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1a7i s LEU 44 Cb -0.07 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1a7i s LEU 44 CO 0.07 -0.53 0.00 -0.90 -1.32 0.00 0.00 176.35 173.67 1a7i n ASP 45 N -1.70 1.50 -2.53 3.68 5.75 -1.26 -4.03 116.55 117.96 1a7i n ASP 45 Ca 0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.49 1a7i n ASP 45 Cb 0.58 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.68 1a7i n ASP 45 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1a7i n SER 46 N 0.00 7.04 0.00 -1.12 7.64 -1.26 -4.42 113.62 121.49 1a7i n SER 46 Ca 0.00 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1a7i n SER 46 Cb 0.00 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 1a7i n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1a7i n THR 47 N 0.03 0.00 0.00 0.44 -2.24 -1.26 -5.07 114.28 106.18 1a7i n THR 47 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1a7i n THR 47 Cb 0.46 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1a7i n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1a7i n THR 48 N -0.46 0.00 0.00 4.28 -2.24 -1.26 -5.19 114.28 109.41 1a7i n THR 48 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a7i n THR 48 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1a7i n THR 48 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1a7i n VAL 49 N 0.00 0.00 -3.85 2.28 3.14 -1.26 -4.65 118.33 113.99 1a7i n VAL 49 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1a7i n VAL 49 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1a7i n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a7i s ALA 50 N -2.00 -0.37 0.04 1.55 0.00 -0.94 -4.93 121.76 115.10 1a7i s ALA 50 Ca 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1a7i s ALA 50 Cb 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1a7i s ALA 50 CO 0.00 -0.66 -0.18 -1.50 0.00 0.00 0.00 175.76 173.42 1a7i s ILE 51 N -3.91 1.43 -0.21 0.00 1.10 -1.26 -2.82 121.20 115.53 1a7i s ILE 51 Ca 0.11 -1.08 -0.04 0.00 -0.51 0.00 0.00 60.65 59.13 1a7i s ILE 51 Cb 0.02 -1.25 0.11 0.00 0.15 0.00 0.00 42.46 41.49 1a7i s ILE 51 CO -0.04 0.14 0.35 -2.28 -2.11 0.00 0.00 174.94 171.00 1a7i s HIS 52 N -0.78 -0.69 0.00 3.50 5.65 -0.91 -4.85 115.29 117.21 1a7i s HIS 52 Ca 0.05 0.93 0.00 0.00 0.25 0.00 0.00 55.06 56.30 1a7i s HIS 52 Cb -0.08 0.03 0.00 0.00 -1.18 0.00 0.00 32.58 31.35 1a7i s HIS 52 CO 0.01 -0.60 0.00 -3.47 -0.65 0.00 0.00 174.74 170.04 1a7i n ASP 53 N 5.36 0.00 0.01 9.88 2.03 -1.26 -2.99 116.55 129.59 1a7i n ASP 53 Ca -0.05 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.37 1a7i n ASP 53 Cb 0.50 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 1a7i n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a7i n ALA 54 N 11.54 3.83 -2.32 -1.67 0.00 -1.26 -4.97 120.51 125.65 1a7i n ALA 54 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.81 1a7i n ALA 54 Cb 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 1a7i n ALA 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a7i s GLU 55 N -3.10 1.30 -0.07 0.00 1.03 -1.16 -5.08 118.70 111.62 1a7i s GLU 55 Ca 0.06 -1.64 -0.20 0.00 0.03 0.00 0.00 54.97 53.22 1a7i s GLU 55 Cb 0.16 -0.69 -0.04 0.00 -0.80 0.00 0.00 34.13 32.75 1a7i s GLU 55 CO 0.80 -0.04 0.56 0.08 -1.33 0.00 0.00 175.26 175.34 1a7i s VAL 56 N -3.34 5.07 0.10 1.83 1.01 -1.26 -2.13 120.40 121.67 1a7i s VAL 56 Ca 0.26 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.44 1a7i s VAL 56 Cb 0.05 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1a7i s VAL 56 CO 0.07 0.34 0.02 -0.31 0.00 0.00 0.00 175.10 175.22 1a7i s TYR 57 N 0.39 3.01 0.00 5.22 1.51 -1.13 -1.63 117.35 124.72 1a7i s TYR 57 Ca 0.30 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1a7i s TYR 57 Cb -0.17 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1a7i s TYR 57 CO 0.14 0.49 0.00 0.00 -1.11 0.00 0.00 175.55 175.07 1a7i h LYS 59 N 0.00 0.00 0.55 0.00 3.64 -1.94 -3.33 116.57 115.50 1a7i h LYS 59 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1a7i h LYS 59 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1a7i h LYS 59 CO 0.00 0.93 -0.27 1.03 -2.27 0.00 0.00 179.45 178.87 1a7i h SER 60 N -1.00 -0.63 0.98 4.20 0.87 -1.99 -3.12 113.55 112.86 1a7i h SER 60 Ca -0.04 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1a7i h SER 60 Cb 0.97 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1a7i h SER 60 CO -0.02 -0.28 0.00 0.00 -0.53 0.00 0.00 176.83 176.00 1a7i h TYR 62 N 0.00 0.15 0.00 0.00 3.20 -1.67 -2.70 116.97 115.94 1a7i h TYR 62 Ca 0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1a7i h TYR 62 Cb 0.49 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1a7i h TYR 62 CO 0.00 0.85 0.00 0.41 -1.64 0.00 0.00 178.16 177.78 1a7i n GLY 63 N 0.99 -1.50 0.06 1.82 0.00 -1.07 -2.47 105.19 103.02 1a7i n GLY 63 Ca -0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1a7i n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a7i n LYS 64 N -1.57 1.48 -0.03 1.61 4.01 -0.95 -2.24 118.16 120.47 1a7i n LYS 64 Ca 0.07 0.03 -0.15 0.00 -0.51 0.00 0.00 58.31 57.75 1a7i n LYS 64 Cb 0.34 -1.31 -0.10 0.00 -0.51 0.00 0.00 35.03 33.46 1a7i n LYS 64 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1a7i h LYS 65 N 0.00 0.27 0.00 1.97 1.63 -1.57 -3.36 116.57 115.51 1a7i h LYS 65 Ca -0.33 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.24 1a7i h LYS 65 Cb 1.67 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 1a7i h LYS 65 CO -0.01 0.88 -1.81 0.66 -3.45 0.00 0.00 179.45 175.73 1a7i n TYR 66 N -4.48 0.00 -0.28 1.91 4.01 -1.03 -5.10 117.16 112.19 1a7i n TYR 66 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1a7i n TYR 66 Cb 0.48 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1a7i n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81