#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bq7 s LYS -1 N 0.00 1.45 0.29 5.56 2.20 -1.26 -4.48 119.74 123.51 2bq7 s LYS -1 Ca 0.00 -1.68 0.00 0.00 -0.36 0.00 0.00 55.97 53.93 2bq7 s LYS -1 Cb 0.00 -1.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.09 2bq7 s LYS -1 CO 0.00 0.16 0.00 1.28 -0.36 0.00 0.00 175.35 176.43 2bq7 n LEU 0 N -0.48 0.00 0.28 5.43 4.77 -1.26 -0.50 117.00 125.24 2bq7 n LEU 0 Ca -0.07 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.10 2bq7 n LEU 0 Cb 0.61 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.63 2bq7 n LEU 0 CO 0.37 0.00 1.15 0.00 -1.33 0.00 0.00 177.39 177.58 2bq7 h SER 2 N 0.00 0.00 -3.17 0.00 0.02 -1.16 -3.00 113.55 106.25 2bq7 h SER 2 Ca 0.04 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.24 2bq7 h SER 2 Cb 0.45 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.75 2bq7 h SER 2 CO -0.00 0.00 -0.27 -0.22 -1.14 0.00 0.00 176.83 175.20 2bq7 s LEU 3 N -5.94 5.98 -1.34 5.07 2.96 0.01 -4.59 118.68 120.84 2bq7 s LEU 3 Ca 0.05 -1.69 -0.02 0.00 -0.22 0.00 0.00 54.13 52.24 2bq7 s LEU 3 Cb 0.07 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 2bq7 s LEU 3 CO 0.60 -0.79 0.57 -0.67 -1.32 0.00 0.00 176.35 174.74 2bq7 n ASP 4 N 5.19 -1.18 -1.54 3.68 2.03 -1.26 -1.78 116.55 121.69 2bq7 n ASP 4 Ca -0.13 -0.93 -0.10 0.00 0.52 0.00 0.00 54.79 54.15 2bq7 n ASP 4 Cb 0.41 -3.52 -0.04 0.00 -0.72 0.00 0.00 41.12 37.26 2bq7 n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2bq7 n ASN 5 N -2.99 -2.85 -1.22 1.67 5.15 -1.13 -0.58 115.26 113.31 2bq7 n ASN 5 Ca -0.28 0.25 -0.15 0.00 -0.60 0.00 0.00 54.58 53.80 2bq7 n ASN 5 Cb 0.67 -2.70 -0.06 0.00 -0.53 0.00 0.00 39.78 37.17 2bq7 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bq7 n GLY 6 N -0.31 1.34 2.72 8.20 0.00 -0.73 -1.83 105.19 114.58 2bq7 n GLY 6 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2bq7 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bq7 n ASP 7 N -0.48 -2.86 -4.78 1.61 2.03 0.25 -4.97 116.55 107.35 2bq7 n ASP 7 Ca -0.15 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.79 2bq7 n ASP 7 Cb 0.51 -1.49 -0.04 0.00 -0.72 0.00 0.00 41.12 39.38 2bq7 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bq7 h ASP 9 N 2.50 0.86 0.00 0.00 5.19 -1.49 -3.47 116.42 120.00 2bq7 h ASP 9 Ca -0.48 -0.58 0.00 0.00 -0.62 0.00 0.00 57.03 55.35 2bq7 h ASP 9 Cb 1.21 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2bq7 h ASP 9 CO 0.62 1.37 0.00 0.00 -3.12 0.00 0.00 179.24 178.11 2bq7 n GLN 10 N -3.90 0.00 -2.02 3.56 6.02 -1.26 -5.00 117.38 114.78 2bq7 n GLN 10 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 2bq7 n GLN 10 Cb 0.76 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.99 2bq7 n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2bq7 s PHE 11 N 2.25 3.08 -0.07 1.08 0.08 -0.99 -4.90 117.98 118.51 2bq7 s PHE 11 Ca 0.00 0.87 0.02 0.00 0.12 0.00 0.00 56.93 57.93 2bq7 s PHE 11 Cb 0.00 -3.83 0.02 0.00 -0.57 0.00 0.00 43.02 38.64 2bq7 s PHE 11 CO 0.00 -2.88 -0.10 0.00 -0.10 0.00 0.00 175.22 172.15 2bq7 s HIS 13 N 0.91 0.22 -0.16 0.00 -3.43 -0.92 -4.98 115.29 106.92 2bq7 s HIS 13 Ca -0.10 -0.50 -0.06 0.00 -0.80 0.00 0.00 55.06 53.60 2bq7 s HIS 13 Cb -0.15 -0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.80 2bq7 s HIS 13 CO 0.01 -0.30 0.04 -1.21 -2.00 0.00 0.00 174.74 171.29 2bq7 s GLU 14 N -2.14 3.79 -0.25 -0.38 2.02 -1.26 -1.90 118.70 118.58 2bq7 s GLU 14 Ca -0.09 -0.37 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 2bq7 s GLU 14 Cb -0.04 -3.12 0.09 0.00 0.10 0.00 0.00 34.13 31.16 2bq7 s GLU 14 CO -0.03 0.34 0.15 -1.83 0.02 0.00 0.00 175.26 173.92 2bq7 s GLU 15 N 0.15 0.18 -0.07 1.61 4.04 -1.15 -4.98 118.70 118.48 2bq7 s GLU 15 Ca 0.04 -0.29 -0.05 0.00 0.04 0.00 0.00 54.97 54.71 2bq7 s GLU 15 Cb -0.12 -1.26 0.02 0.00 0.02 0.00 0.00 34.13 32.79 2bq7 s GLU 15 CO 0.01 -0.90 0.10 0.94 -1.84 0.00 0.00 175.26 173.57 2bq7 n GLN 16 N 5.27 -2.53 0.00 -4.83 7.27 -1.26 -4.26 117.38 117.04 2bq7 n GLN 16 Ca -0.06 2.12 0.00 0.00 0.07 0.00 0.00 57.00 59.13 2bq7 n GLN 16 Cb 0.45 -3.03 0.00 0.00 2.41 0.00 0.00 30.24 30.08 2bq7 n GLN 16 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bq7 n ASN 17 N 0.92 0.00 -3.60 1.69 5.03 -1.26 -4.70 115.26 113.34 2bq7 n ASN 17 Ca -0.16 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.22 2bq7 n ASN 17 Cb 0.25 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.97 2bq7 n ASN 17 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2bq7 s SER 18 N 0.00 -0.24 0.14 6.41 0.15 -1.26 -5.12 113.70 113.78 2bq7 s SER 18 Ca 0.00 0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.66 2bq7 s SER 18 Cb 0.00 0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 2bq7 s SER 18 CO 0.00 -0.25 0.67 -0.69 1.20 0.00 0.00 173.24 174.17 2bq7 s VAL 19 N -1.31 4.58 -0.09 4.45 1.01 -1.26 -2.95 120.40 124.83 2bq7 s VAL 19 Ca 0.03 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 2bq7 s VAL 19 Cb -0.01 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2bq7 s VAL 19 CO -0.03 0.47 0.01 -0.69 0.00 0.00 0.00 175.10 174.87 2bq7 s VAL 20 N -1.21 0.35 0.12 2.92 1.01 -0.80 -4.99 120.40 117.79 2bq7 s VAL 20 Ca 0.34 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 2bq7 s VAL 20 Cb -0.20 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2bq7 s VAL 20 CO 0.22 0.17 0.28 0.00 0.00 0.00 0.00 175.10 175.77 2bq7 s SER 22 N -2.82 0.24 0.20 0.00 1.04 -0.44 -4.93 113.70 106.99 2bq7 s SER 22 Ca 0.36 -1.20 0.04 0.00 0.48 0.00 0.00 55.95 55.63 2bq7 s SER 22 Cb -0.12 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2bq7 s SER 22 CO 0.28 -1.09 -0.03 0.00 0.98 0.00 0.00 173.24 173.38 2bq7 s ALA 24 N -3.40 2.29 0.36 0.00 0.00 -1.26 -4.92 121.76 114.83 2bq7 s ALA 24 Ca 0.25 -0.54 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 2bq7 s ALA 24 Cb 0.05 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.04 2bq7 s ALA 24 CO 0.06 -1.88 1.39 0.54 0.00 0.00 0.00 175.76 175.87 2bq7 n ARG 25 N -3.48 2.38 -0.30 0.00 1.74 -1.26 -1.80 116.66 113.94 2bq7 n ARG 25 Ca 0.07 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 2bq7 n ARG 25 Cb 0.60 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2bq7 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bq7 n GLY 26 N 0.67 0.80 3.30 -0.13 0.00 -1.26 -4.60 105.19 103.97 2bq7 n GLY 26 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 2bq7 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bq7 s TYR 27 N -2.70 1.62 -0.02 1.61 1.51 -0.75 -0.84 117.35 117.79 2bq7 s TYR 27 Ca 0.00 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 2bq7 s TYR 27 Cb 0.00 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 2bq7 s TYR 27 CO 0.00 0.26 -0.08 0.95 -1.11 0.00 0.00 175.55 175.57 2bq7 s THR 28 N -2.39 0.69 0.32 -0.71 -4.23 0.36 -4.74 115.64 104.94 2bq7 s THR 28 Ca 0.15 -0.31 -0.29 0.00 -1.18 0.00 0.00 61.69 60.05 2bq7 s THR 28 Cb -0.04 -0.62 -0.11 0.00 1.34 0.00 0.00 72.50 73.07 2bq7 s THR 28 CO 0.05 0.22 1.58 -0.11 -0.54 0.00 0.00 174.62 175.82 2bq7 n LEU 29 N 3.27 4.56 -4.87 4.79 7.94 -1.26 -1.00 117.00 130.44 2bq7 n LEU 29 Ca -0.18 1.17 -0.30 0.00 -1.11 0.00 0.00 56.01 55.60 2bq7 n LEU 29 Cb 0.55 -1.61 0.18 0.00 0.53 0.00 0.00 43.42 43.07 2bq7 n LEU 29 CO 0.25 0.20 0.82 0.00 -1.11 0.00 0.00 177.39 177.55 2bq7 s ALA 30 N -0.30 2.01 0.29 1.96 0.00 0.69 -4.85 121.76 121.56 2bq7 s ALA 30 Ca 0.61 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2bq7 s ALA 30 Cb -0.48 -2.83 0.56 0.00 0.00 0.00 0.00 23.12 20.38 2bq7 s ALA 30 CO 0.53 -2.52 1.86 0.22 0.00 0.00 0.00 175.76 175.84 2bq7 h ASP 31 N -1.71 0.91 0.02 0.00 1.82 -1.94 0.14 116.42 115.66 2bq7 h ASP 31 Ca -0.45 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 2bq7 h ASP 31 Cb 1.26 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.12 2bq7 h ASP 31 CO 0.42 0.51 0.00 -0.46 -1.61 0.00 0.00 179.24 178.09 2bq7 n ASN 32 N -4.58 0.00 -1.93 2.28 0.23 -1.26 -4.85 115.26 105.16 2bq7 n ASN 32 Ca 0.18 -0.56 -0.20 0.00 -0.53 0.00 0.00 54.58 53.47 2bq7 n ASN 32 Cb 0.33 -0.01 -0.04 0.00 -2.08 0.00 0.00 39.78 37.97 2bq7 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bq7 n GLY 33 N 0.19 0.56 1.26 4.83 0.00 0.51 -4.79 105.19 107.75 2bq7 n GLY 33 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2bq7 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bq7 n LYS 34 N -2.69 0.00 -1.82 1.61 5.02 -1.26 -4.31 118.16 114.70 2bq7 n LYS 34 Ca -0.22 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.76 2bq7 n LYS 34 Cb 0.66 -0.27 0.03 0.00 -0.02 0.00 0.00 35.03 35.43 2bq7 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bq7 s ALA 35 N -1.80 2.79 -0.21 7.82 0.00 -1.26 -1.24 121.76 127.86 2bq7 s ALA 35 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2bq7 s ALA 35 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.97 2bq7 s ALA 35 CO 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 175.76 174.68 2bq7 s ILE 37 N 1.29 5.36 0.98 0.00 -1.09 -0.17 -4.85 121.20 122.72 2bq7 s ILE 37 Ca 0.02 0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.49 2bq7 s ILE 37 Cb -0.15 -3.42 0.18 0.00 -1.58 0.00 0.00 42.46 37.49 2bq7 s ILE 37 CO -0.09 0.48 1.09 -2.84 -1.23 0.00 0.00 174.94 172.36 2bq7 s PRO 38 N 0.03 0.54 -0.01 2.79 0.02 -1.26 -0.48 135.00 136.64 2bq7 s PRO 38 Ca 0.09 1.12 0.02 0.00 0.02 0.00 0.00 61.00 62.26 2bq7 s PRO 38 Cb -0.11 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 2bq7 s PRO 38 CO -0.00 -2.82 0.05 2.41 -0.33 0.00 0.00 177.00 176.31 2bq7 n THR 39 N -4.32 0.03 -4.19 0.99 -1.04 -0.02 -4.74 114.28 101.00 2bq7 n THR 39 Ca 0.08 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 2bq7 n THR 39 Cb 0.54 0.16 -0.02 0.00 -1.82 0.00 0.00 70.33 69.18 2bq7 n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bq7 n GLY 40 N 2.46 3.87 0.17 3.41 0.00 -1.26 -5.04 105.19 108.80 2bq7 n GLY 40 Ca -0.01 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.08 2bq7 n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2bq7 h PRO 41 N 0.00 0.00 -2.05 1.61 0.11 -1.99 -3.37 132.00 126.32 2bq7 h PRO 41 Ca -0.12 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.47 2bq7 h PRO 41 Cb 0.41 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.12 2bq7 h PRO 41 CO 0.19 0.00 -1.06 0.66 -0.21 0.00 0.00 178.00 177.57 2bq7 n TYR 42 N -2.64 0.72 -1.66 0.65 4.01 -1.26 -5.12 117.16 111.86 2bq7 n TYR 42 Ca 0.04 -3.79 -0.35 0.00 -0.16 0.00 0.00 57.90 53.64 2bq7 n TYR 42 Cb 0.39 -0.42 0.07 0.00 -0.31 0.00 0.00 39.34 39.08 2bq7 n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2bq7 s PRO 43 N -2.17 2.47 0.57 -0.72 0.04 -1.26 -4.95 135.00 128.98 2bq7 s PRO 43 Ca 0.40 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 2bq7 s PRO 43 Cb 0.27 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 2bq7 s PRO 43 CO -0.09 -1.58 1.28 0.00 0.04 0.00 0.00 177.00 176.64 2bq7 n GLY 45 N 0.66 0.48 3.51 0.00 0.00 -1.26 -5.02 105.19 103.56 2bq7 n GLY 45 Ca 0.12 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2bq7 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bq7 s LYS 46 N -1.10 3.72 0.29 1.61 -0.14 -1.23 -5.10 119.74 117.79 2bq7 s LYS 46 Ca 0.00 -0.48 -0.15 0.00 -1.36 0.00 0.00 55.97 53.98 2bq7 s LYS 46 Cb 0.00 -3.03 -0.08 0.00 -1.68 0.00 0.00 37.83 33.03 2bq7 s LYS 46 CO 0.00 0.18 0.70 -0.65 -0.76 0.00 0.00 175.35 174.81 2bq7 s GLN 47 N 0.57 4.01 -0.52 1.68 -0.21 -1.26 -5.00 119.66 118.92 2bq7 s GLN 47 Ca -0.01 0.63 0.03 0.00 0.02 0.00 0.00 55.36 56.03 2bq7 s GLN 47 Cb -0.14 -2.55 0.14 0.00 1.00 0.00 0.00 33.01 31.46 2bq7 s GLN 47 CO 0.02 0.23 0.30 -0.08 -2.12 0.00 0.00 175.29 173.64 2bq7 s THR 48 N -1.87 2.05 -2.44 -0.19 -1.32 -1.26 -5.20 115.64 105.42 2bq7 s THR 48 Ca 0.51 -3.17 0.29 0.00 -1.21 0.00 0.00 61.69 58.10 2bq7 s THR 48 Cb -0.11 -2.41 0.60 0.00 -1.51 0.00 0.00 72.50 69.06 2bq7 s THR 48 CO 0.19 -0.90 1.81 0.18 -2.21 0.00 0.00 174.62 173.68