#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq9 s LYS 3 N 0.00 1.91 -0.01 0.00 1.02 -1.26 -1.16 119.74 120.24 1bq9 s LYS 3 Ca 0.00 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 54.96 1bq9 s LYS 3 Cb 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1bq9 s LYS 3 CO 0.00 0.52 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.28 1bq9 s TRP 4 N -0.84 0.87 -0.12 3.18 0.52 -0.05 -0.54 118.94 121.96 1bq9 s TRP 4 Ca 0.13 -0.17 -0.05 0.00 0.02 0.00 0.00 56.10 56.03 1bq9 s TRP 4 Cb -0.10 -0.57 -0.04 0.00 -1.15 0.00 0.00 33.47 31.61 1bq9 s TRP 4 CO 0.03 -0.02 0.07 0.54 0.02 0.00 0.00 176.95 177.59 1bq9 s VAL 5 N -0.21 4.88 -0.36 4.03 0.11 0.10 -0.05 120.40 128.90 1bq9 s VAL 5 Ca 0.03 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 1bq9 s VAL 5 Cb -0.04 -3.12 0.01 0.00 -1.53 0.00 0.00 36.38 31.70 1bq9 s VAL 5 CO -0.00 0.57 1.36 0.00 -3.33 0.00 0.00 175.10 173.70 1bq9 h LYS 7 N 10.05 0.00 0.01 0.00 1.57 -1.17 -0.86 116.57 126.17 1bq9 h LYS 7 Ca -0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1bq9 h LYS 7 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1bq9 h LYS 7 CO 1.06 0.00 -0.00 0.82 -0.57 0.00 0.00 179.45 180.76 1bq9 h ILE 8 N 0.00 1.09 0.00 1.86 1.08 -1.91 -3.43 117.51 116.21 1bq9 h ILE 8 Ca 0.00 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.69 1bq9 h ILE 8 Cb 0.21 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 1bq9 h ILE 8 CO 0.00 0.36 -0.58 0.00 -0.69 0.00 0.00 178.15 177.24 1bq9 n GLY 10 N 1.44 0.82 3.74 0.00 0.00 -0.33 -5.03 105.19 105.81 1bq9 n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1bq9 n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bq9 n TYR 11 N -2.00 2.70 -3.64 1.61 9.36 -1.26 -4.70 117.16 119.24 1bq9 n TYR 11 Ca 0.00 0.42 -0.38 0.00 3.32 0.00 0.00 57.90 61.26 1bq9 n TYR 11 Cb 0.00 -2.51 -0.12 0.00 -0.63 0.00 0.00 39.34 36.08 1bq9 n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1bq9 s ILE 12 N -0.71 4.77 -0.59 2.97 -1.09 -1.26 -0.70 121.20 124.60 1bq9 s ILE 12 Ca 0.58 -0.24 -0.28 0.00 -2.23 0.00 0.00 60.65 58.48 1bq9 s ILE 12 Cb -0.52 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1bq9 s ILE 12 CO 0.58 0.14 1.20 -0.47 -1.23 0.00 0.00 174.94 175.16 1bq9 s TYR 13 N 1.66 2.58 -0.35 3.97 5.04 0.93 -4.92 117.35 126.26 1bq9 s TYR 13 Ca 0.06 0.39 -0.15 0.00 -2.44 0.00 0.00 57.07 54.93 1bq9 s TYR 13 Cb -0.17 -4.52 -0.01 0.00 0.35 0.00 0.00 41.96 37.61 1bq9 s TYR 13 CO 0.07 -1.62 0.33 0.34 -1.34 0.00 0.00 175.55 173.33 1bq9 s ASP 14 N 3.02 6.14 0.42 4.32 -1.08 -1.26 -0.87 116.67 127.36 1bq9 s ASP 14 Ca 0.43 -0.34 0.15 0.00 -0.52 0.00 0.00 52.55 52.27 1bq9 s ASP 14 Cb -0.07 -2.18 1.02 0.00 -1.46 0.00 0.00 42.92 40.22 1bq9 s ASP 14 CO 0.25 -0.32 1.92 -0.33 0.52 0.00 0.00 175.17 177.20 1bq9 h GLU 15 N 8.49 0.44 -0.16 4.34 5.08 -1.40 0.14 114.58 131.51 1bq9 h GLU 15 Ca -0.30 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1bq9 h GLU 15 Cb 1.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1bq9 h GLU 15 CO 0.68 0.29 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.52 1bq9 h ASP 16 N 0.46 0.22 0.71 1.42 3.32 -1.89 0.53 116.42 121.18 1bq9 h ASP 16 Ca 0.38 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.25 1bq9 h ASP 16 Cb 0.82 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1bq9 h ASP 16 CO -0.13 0.28 -1.40 0.00 -1.72 0.00 0.00 179.24 176.28 1bq9 n ALA 17 N -2.50 2.01 -0.98 3.45 0.00 0.37 -3.56 120.51 119.31 1bq9 n ALA 17 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1bq9 n ALA 17 Cb 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1bq9 n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bq9 n GLY 18 N 1.37 1.20 2.67 0.00 0.00 -0.43 -3.98 105.19 106.03 1bq9 n GLY 18 Ca -0.09 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1bq9 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bq9 n ASP 19 N -2.68 -2.39 -0.06 1.61 2.03 -0.11 -4.71 116.55 110.24 1bq9 n ASP 19 Ca 0.00 -3.30 0.02 0.00 0.52 0.00 0.00 54.79 52.03 1bq9 n ASP 19 Cb 0.00 1.52 0.34 0.00 -0.72 0.00 0.00 41.12 42.26 1bq9 n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1bq9 h PRO 20 N 3.82 0.65 0.00 -0.67 0.13 -1.50 -0.51 132.00 133.93 1bq9 h PRO 20 Ca -0.11 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1bq9 h PRO 20 Cb 1.02 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1bq9 h PRO 20 CO 0.32 0.50 0.00 -0.44 -0.23 0.00 0.00 178.00 178.14 1bq9 h ASP 21 N 0.66 0.00 0.00 1.44 5.19 -1.96 -2.07 116.42 119.68 1bq9 h ASP 21 Ca 0.17 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1bq9 h ASP 21 Cb 0.04 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1bq9 h ASP 21 CO -0.03 0.00 -0.52 0.59 -3.12 0.00 0.00 179.24 176.17 1bq9 n ASN 22 N -2.65 1.68 0.00 6.45 3.02 -0.33 -4.97 115.26 118.47 1bq9 n ASN 22 Ca -0.01 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1bq9 n ASN 22 Cb 0.13 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1bq9 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bq9 n GLY 23 N -1.05 0.61 3.00 7.41 0.00 -0.78 -5.03 105.19 109.36 1bq9 n GLY 23 Ca 0.18 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1bq9 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bq9 s ILE 24 N -2.00 1.78 0.52 -0.61 -1.09 -0.46 -4.97 121.20 114.37 1bq9 s ILE 24 Ca 0.00 -1.28 -0.21 0.00 -2.23 0.00 0.00 60.65 56.92 1bq9 s ILE 24 Cb 0.00 -1.93 -0.06 0.00 -1.58 0.00 0.00 42.46 38.89 1bq9 s ILE 24 CO 0.00 0.02 1.22 -0.94 -1.23 0.00 0.00 174.94 174.01 1bq9 s SER 25 N 1.30 5.70 0.25 3.58 1.04 -1.26 -0.94 113.70 123.37 1bq9 s SER 25 Ca -0.05 2.43 -0.30 0.00 0.48 0.00 0.00 55.95 58.51 1bq9 s SER 25 Cb -0.18 -2.61 -0.14 0.00 0.10 0.00 0.00 66.02 63.19 1bq9 s SER 25 CO -0.07 -1.25 1.17 -2.65 0.98 0.00 0.00 173.24 171.43 1bq9 n PRO 26 N -0.92 1.52 -0.50 4.02 -0.02 -1.26 -2.46 135.00 135.39 1bq9 n PRO 26 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1bq9 n PRO 26 Cb 0.48 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1bq9 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bq9 n GLY 27 N 1.63 0.72 3.67 -1.23 0.00 0.18 -4.85 105.19 105.32 1bq9 n GLY 27 Ca 0.11 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1bq9 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bq9 s THR 28 N -2.00 5.10 0.62 2.61 2.01 -1.03 -4.93 115.64 118.02 1bq9 s THR 28 Ca 0.00 1.01 -0.17 0.00 0.31 0.00 0.00 61.69 62.84 1bq9 s THR 28 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1bq9 s THR 28 CO 0.00 0.19 1.13 -0.54 -0.69 0.00 0.00 174.62 174.71 1bq9 s LYS 29 N 1.47 2.98 0.17 4.92 1.02 -1.26 -4.63 119.74 124.42 1bq9 s LYS 29 Ca 0.26 1.51 -0.14 0.00 0.02 0.00 0.00 55.97 57.62 1bq9 s LYS 29 Cb -0.15 -1.96 0.11 0.00 -0.52 0.00 0.00 37.83 35.30 1bq9 s LYS 29 CO 0.10 -1.13 1.78 0.35 -0.92 0.00 0.00 175.35 175.54 1bq9 h PHE 30 N 0.49 0.43 -0.71 3.18 3.57 -1.94 -0.64 116.94 121.31 1bq9 h PHE 30 Ca -0.48 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.22 1bq9 h PHE 30 Cb 1.26 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 1bq9 h PHE 30 CO 0.53 0.21 0.50 0.93 -2.23 0.00 0.00 178.31 178.25 1bq9 h GLU 31 N 0.46 0.12 -0.00 1.11 3.07 -2.02 -1.58 114.58 115.74 1bq9 h GLU 31 Ca 0.21 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1bq9 h GLU 31 Cb 0.12 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1bq9 h GLU 31 CO -0.15 0.08 -0.27 0.39 -1.40 0.00 0.00 179.01 177.66 1bq9 n GLU 32 N -4.38 0.45 -1.92 2.33 1.02 -0.26 -4.85 120.64 113.03 1bq9 n GLU 32 Ca 0.14 -0.22 -0.40 0.00 -0.02 0.00 0.00 57.16 56.65 1bq9 n GLU 32 Cb 0.70 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1bq9 n GLU 32 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bq9 s LEU 33 N -2.70 4.26 0.51 -4.62 1.43 -0.60 -4.93 118.68 112.05 1bq9 s LEU 33 Ca 0.20 2.86 -0.20 0.00 -1.03 0.00 0.00 54.13 55.96 1bq9 s LEU 33 Cb 0.19 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1bq9 s LEU 33 CO 0.57 -0.88 0.62 -2.65 0.23 0.00 0.00 176.35 174.24 1bq9 n PRO 34 N 0.28 0.66 0.23 1.29 -0.02 -1.26 -4.83 135.00 131.35 1bq9 n PRO 34 Ca 0.02 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1bq9 n PRO 34 Cb 0.41 -1.72 0.74 0.00 -0.02 0.00 0.00 33.50 32.91 1bq9 n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bq9 h ASP 35 N 0.56 0.00 -0.40 2.55 3.32 -1.93 -0.65 116.42 119.87 1bq9 h ASP 35 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1bq9 h ASP 35 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1bq9 h ASP 35 CO 0.50 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.49 1bq9 n ASP 36 N -4.24 3.08 -4.76 6.45 8.00 -1.26 -4.67 116.55 119.16 1bq9 n ASP 36 Ca -0.01 -1.94 -0.38 0.00 0.71 0.00 0.00 54.79 53.17 1bq9 n ASP 36 Cb 0.19 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 41.05 1bq9 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1bq9 s TRP 37 N -1.48 2.49 0.18 1.24 -0.00 -0.25 -5.00 118.94 116.12 1bq9 s TRP 37 Ca 0.38 1.41 0.05 0.00 -0.00 0.00 0.00 56.10 57.95 1bq9 s TRP 37 Cb 0.21 -3.69 -0.05 0.00 -0.00 0.00 0.00 33.47 29.95 1bq9 s TRP 37 CO 0.30 -2.47 -0.10 0.14 -0.00 0.00 0.00 176.95 174.82 1bq9 s VAL 38 N -1.36 1.33 0.11 5.86 -7.23 -1.26 -3.73 120.40 114.12 1bq9 s VAL 38 Ca 0.68 -2.10 -0.34 0.00 -1.81 0.00 0.00 61.98 58.40 1bq9 s VAL 38 Cb -0.37 -1.98 -0.13 0.00 0.56 0.00 0.00 36.38 34.46 1bq9 s VAL 38 CO 0.45 -0.65 1.64 0.00 -0.31 0.00 0.00 175.10 176.23 1bq9 n PRO 40 N 4.06 0.02 -0.10 0.00 -0.04 -1.26 -1.42 135.00 136.25 1bq9 n PRO 40 Ca 0.18 0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 63.69 1bq9 n PRO 40 Cb 0.29 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1bq9 n PRO 40 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1bq9 n ILE 41 N -1.48 1.50 0.50 0.52 5.41 -1.26 -4.79 119.36 119.76 1bq9 n ILE 41 Ca 0.04 -0.05 0.05 0.00 1.00 0.00 0.00 62.75 63.80 1bq9 n ILE 41 Cb 0.18 -2.13 -0.07 0.00 -0.71 0.00 0.00 39.64 36.91 1bq9 n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bq9 n GLY 43 N 1.31 0.76 3.77 0.00 0.00 -0.51 -4.99 105.19 105.53 1bq9 n GLY 43 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1bq9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bq9 s ALA 44 N -2.78 3.36 1.00 4.61 0.00 -1.26 -4.50 121.76 122.19 1bq9 s ALA 44 Ca 0.00 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 1bq9 s ALA 44 Cb 0.00 -3.47 0.19 0.00 0.00 0.00 0.00 23.12 19.85 1bq9 s ALA 44 CO 0.00 -0.69 1.08 -2.14 0.00 0.00 0.00 175.76 174.01 1bq9 s PRO 45 N -2.02 0.37 0.52 0.00 0.02 -1.26 -0.56 135.00 132.06 1bq9 s PRO 45 Ca 0.53 0.86 0.25 0.00 0.02 0.00 0.00 61.00 62.67 1bq9 s PRO 45 Cb -0.38 -1.70 1.36 0.00 0.02 0.00 0.00 34.50 33.81 1bq9 s PRO 45 CO 0.49 -2.86 1.95 0.87 -0.33 0.00 0.00 177.00 177.12 1bq9 h LYS 46 N -2.00 0.07 -0.10 5.54 1.57 -1.83 -1.29 116.57 118.52 1bq9 h LYS 46 Ca -0.53 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1bq9 h LYS 46 Cb 1.31 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1bq9 h LYS 46 CO 0.52 0.04 0.14 0.66 -0.57 0.00 0.00 179.45 180.25 1bq9 h SER 47 N 0.07 0.00 -0.39 0.86 4.64 -1.94 -2.32 113.55 114.47 1bq9 h SER 47 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1bq9 h SER 47 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1bq9 h SER 47 CO -0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.31 1bq9 n GLU 48 N -3.61 2.10 -4.07 4.77 -0.58 -0.49 -4.90 120.64 113.87 1bq9 n GLU 48 Ca -0.00 -1.49 -0.32 0.00 -0.42 0.00 0.00 57.16 54.93 1bq9 n GLU 48 Cb 0.24 -1.40 -0.07 0.00 -0.57 0.00 0.00 31.44 29.65 1bq9 n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1bq9 s PHE 49 N -1.53 3.27 -0.03 -0.32 0.40 -0.88 -0.57 117.98 118.32 1bq9 s PHE 49 Ca 0.27 0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 1bq9 s PHE 49 Cb 0.15 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1bq9 s PHE 49 CO 0.17 0.54 -0.09 -1.83 0.70 0.00 0.00 175.22 174.71 1bq9 s GLU 50 N -2.06 1.01 0.23 0.44 -1.05 -0.45 -4.95 118.70 111.87 1bq9 s GLU 50 Ca 0.26 -0.29 -0.30 0.00 -0.15 0.00 0.00 54.97 54.49 1bq9 s GLU 50 Cb -0.12 -0.94 -0.09 0.00 -0.44 0.00 0.00 34.13 32.54 1bq9 s GLU 50 CO 0.18 0.09 1.22 0.21 0.95 0.00 0.00 175.26 177.91 1bq9 s LYS 51 N 0.31 4.48 -1.11 -4.83 2.20 -1.26 -0.72 119.74 118.80 1bq9 s LYS 51 Ca -0.05 1.95 -0.15 0.00 -0.36 0.00 0.00 55.97 57.36 1bq9 s LYS 51 Cb -0.10 -3.20 0.17 0.00 -1.51 0.00 0.00 37.83 33.20 1bq9 s LYS 51 CO 0.01 -0.08 1.30 -0.51 -0.36 0.00 0.00 175.35 175.72 1bq9 s LEU 52 N -0.67 5.21 0.08 5.43 1.43 0.30 -4.85 118.68 125.61 1bq9 s LEU 52 Ca 0.51 -2.78 -0.25 0.00 -1.03 0.00 0.00 54.13 50.58 1bq9 s LEU 52 Cb -0.34 -2.38 0.07 0.00 0.03 0.00 0.00 46.19 43.57 1bq9 s LEU 52 CO 0.40 -0.79 0.61 -1.83 0.23 0.00 0.00 176.35 174.97 1bq9 s GLU 53 N 1.61 1.18 0.00 1.70 -1.05 -1.26 -4.70 118.70 116.18 1bq9 s GLU 53 Ca 0.38 -0.22 0.30 0.00 -0.15 0.00 0.00 54.97 55.28 1bq9 s GLU 53 Cb -0.04 0.55 1.79 0.00 -0.44 0.00 0.00 34.13 35.99 1bq9 s GLU 53 CO -0.03 -0.46 2.12 -3.47 0.95 0.00 0.00 175.26 174.37