#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9r n GLU 6 N 0.00 -2.52 -3.98 -4.13 1.02 -1.26 -4.97 120.64 104.81 1k9r n GLU 6 Ca 0.00 2.17 -0.31 0.00 -0.02 0.00 0.00 57.16 59.01 1k9r n GLU 6 Cb 0.00 -3.88 -0.15 0.00 -0.02 0.00 0.00 31.44 27.39 1k9r n GLU 6 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k9r s ILE 7 N -1.33 2.04 -0.09 -3.67 1.01 -1.26 -4.95 121.20 112.95 1k9r s ILE 7 Ca -0.02 -2.11 0.30 0.00 0.00 0.00 0.00 60.65 58.83 1k9r s ILE 7 Cb 0.00 -2.47 0.36 0.00 0.01 0.00 0.00 42.46 40.36 1k9r s ILE 7 CO 0.52 -0.54 1.88 1.55 0.00 0.00 0.00 174.94 178.36 1k9r h PRO 8 N 7.71 0.00 -5.91 2.79 0.13 -2.01 -3.46 132.00 131.24 1k9r h PRO 8 Ca -0.07 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.65 1k9r h PRO 8 Cb 1.02 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.01 1k9r h PRO 8 CO 0.50 0.00 -0.60 -3.47 -0.23 0.00 0.00 178.00 174.21 1k9r n ASP 9 N -2.93 -3.00 0.01 1.44 2.03 -1.26 -4.83 116.55 108.00 1k9r n ASP 9 Ca 0.01 -0.53 -0.13 0.00 0.52 0.00 0.00 54.79 54.66 1k9r n ASP 9 Cb 0.33 -2.51 -0.10 0.00 -0.72 0.00 0.00 41.12 38.12 1k9r n ASP 9 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1k9r h ASP 10 N -0.92 -0.05 -4.25 1.67 3.58 -2.03 -3.45 116.42 110.96 1k9r h ASP 10 Ca -0.43 -0.44 -0.33 0.00 0.42 0.00 0.00 57.03 56.25 1k9r h ASP 10 Cb 1.29 0.01 -0.26 0.00 1.72 0.00 0.00 39.33 42.09 1k9r h ASP 10 CO 0.57 0.43 -0.75 0.54 -2.88 0.00 0.00 179.24 177.15 1k9r s VAL 11 N -4.23 0.55 -0.05 2.25 0.11 -1.26 -5.06 120.40 112.72 1k9r s VAL 11 Ca -0.15 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.05 1k9r s VAL 11 Cb 0.02 -0.53 -0.18 0.00 -1.53 0.00 0.00 36.38 34.16 1k9r s VAL 11 CO 0.64 -0.06 0.99 1.55 -3.33 0.00 0.00 175.10 174.90 1k9r h PRO 12 N 5.38 -0.13 -4.42 1.54 0.13 -1.98 -3.46 132.00 129.06 1k9r h PRO 12 Ca -0.32 0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.63 1k9r h PRO 12 Cb 1.19 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1k9r h PRO 12 CO 0.46 0.37 -0.61 -0.51 -0.23 0.00 0.00 178.00 177.48 1k9r s LEU 13 N -8.99 1.55 1.10 1.56 1.02 -1.26 -4.48 118.68 109.18 1k9r s LEU 13 Ca -0.14 -1.23 -0.17 0.00 0.02 0.00 0.00 54.13 52.61 1k9r s LEU 13 Cb 0.00 0.40 0.24 0.00 0.02 0.00 0.00 46.19 46.85 1k9r s LEU 13 CO 0.56 -0.77 1.17 -2.16 0.02 0.00 0.00 176.35 175.17 1k9r s PRO 14 N -4.07 -0.42 0.82 1.29 0.04 -1.26 -4.96 135.00 126.45 1k9r s PRO 14 Ca 0.27 -0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 1k9r s PRO 14 Cb 0.07 -1.70 0.09 0.00 0.04 0.00 0.00 34.50 33.01 1k9r s PRO 14 CO 0.04 -3.17 1.14 0.00 0.04 0.00 0.00 177.00 175.05 1k9r s ALA 15 N -3.29 1.89 -0.45 8.56 0.00 -1.26 -3.38 121.76 123.84 1k9r s ALA 15 Ca 0.71 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1k9r s ALA 15 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1k9r s ALA 15 CO 0.55 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 174.51 1k9r n GLY 16 N -0.28 0.63 3.29 0.00 0.00 -1.26 -4.89 105.19 102.68 1k9r n GLY 16 Ca 0.11 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 1k9r n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k9r s TRP 17 N -2.17 1.86 -0.34 1.61 0.52 -1.22 0.50 118.94 119.70 1k9r s TRP 17 Ca 0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.71 1k9r s TRP 17 Cb 0.00 -1.04 0.13 0.00 -1.15 0.00 0.00 33.47 31.40 1k9r s TRP 17 CO 0.00 0.19 0.18 -1.21 0.02 0.00 0.00 176.95 176.13 1k9r s GLU 18 N -1.73 0.58 -0.00 4.98 8.01 0.31 -4.90 118.70 125.95 1k9r s GLU 18 Ca 0.08 -1.20 -0.30 0.00 0.01 0.00 0.00 54.97 53.56 1k9r s GLU 18 Cb -0.10 -1.48 -0.08 0.00 -4.31 0.00 0.00 34.13 28.17 1k9r s GLU 18 CO 0.04 -1.13 1.92 0.00 0.01 0.00 0.00 175.26 176.09 1k9r s MET 19 N 1.28 4.08 0.00 1.61 0.23 -1.26 -1.03 119.30 124.21 1k9r s MET 19 Ca 0.15 2.48 0.00 0.00 -1.03 0.00 0.00 55.69 57.29 1k9r s MET 19 Cb -0.21 -4.14 0.00 0.00 -1.53 0.00 0.00 34.83 28.95 1k9r s MET 19 CO -0.11 -1.01 0.00 0.00 -2.03 0.00 0.00 175.02 171.86 1k9r n ALA 20 N 7.74 0.00 -2.54 3.16 0.00 0.17 -4.91 120.51 124.14 1k9r n ALA 20 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1k9r n ALA 20 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.71 1k9r n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k9r s LYS 21 N -0.02 1.47 0.00 0.00 1.02 -1.26 0.10 119.74 121.05 1k9r s LYS 21 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1k9r s LYS 21 Cb 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.91 1k9r s LYS 21 CO 0.00 0.36 0.00 -2.37 -0.92 0.00 0.00 175.35 172.42 1k9r n THR 22 N 2.71 0.00 0.00 2.17 5.66 -0.65 -4.85 114.28 119.32 1k9r n THR 22 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1k9r n THR 22 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1k9r n THR 22 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1k9r n SER 23 N -0.47 0.00 0.00 1.09 2.88 -1.26 -1.02 113.62 114.83 1k9r n SER 23 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k9r n SER 23 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k9r n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k9r n SER 24 N 2.64 0.24 0.00 -3.46 2.88 -1.26 -4.98 113.62 109.68 1k9r n SER 24 Ca 0.00 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 1k9r n SER 24 Cb 0.00 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1k9r n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k9r n GLY 25 N 0.04 0.28 3.59 0.46 0.00 -0.19 -5.13 105.19 104.24 1k9r n GLY 25 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1k9r n GLY 25 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k9r n GLN 26 N 0.00 1.29 -2.65 1.61 -0.06 -1.24 -4.59 117.38 111.74 1k9r n GLN 26 Ca 0.00 0.46 -0.43 0.00 -2.00 0.00 0.00 57.00 55.03 1k9r n GLN 26 Cb 0.00 -1.91 -0.02 0.00 -4.06 0.00 0.00 30.24 24.24 1k9r n GLN 26 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1k9r s ARG 27 N -0.80 4.06 0.56 3.69 0.52 -1.26 -1.64 118.95 124.08 1k9r s ARG 27 Ca 0.67 1.06 0.07 0.00 -0.52 0.00 0.00 55.73 57.01 1k9r s ARG 27 Cb -0.78 -3.73 0.06 0.00 0.52 0.00 0.00 34.95 31.02 1k9r s ARG 27 CO 0.55 -0.89 0.58 1.52 0.02 0.00 0.00 175.30 177.08 1k9r s TYR 28 N 3.61 1.49 -0.37 -0.53 1.13 0.29 -3.96 117.35 119.01 1k9r s TYR 28 Ca 0.45 -0.80 0.01 0.00 -1.41 0.00 0.00 57.07 55.32 1k9r s TYR 28 Cb -0.12 -2.04 0.11 0.00 -1.10 0.00 0.00 41.96 38.81 1k9r s TYR 28 CO 0.15 -0.80 0.15 -0.06 -2.51 0.00 0.00 175.55 172.48 1k9r s PHE 29 N -2.73 2.28 -0.42 -3.49 0.40 0.44 0.46 117.98 114.92 1k9r s PHE 29 Ca 0.46 -2.30 -0.28 0.00 -0.60 0.00 0.00 56.93 54.21 1k9r s PHE 29 Cb -0.04 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.40 1k9r s PHE 29 CO 0.29 -0.85 1.83 -1.17 0.70 0.00 0.00 175.22 176.02 1k9r s LEU 30 N 0.93 3.44 -0.35 -0.37 2.96 -0.20 -0.92 118.68 124.18 1k9r s LEU 30 Ca 0.13 1.01 -0.28 0.00 -0.22 0.00 0.00 54.13 54.77 1k9r s LEU 30 Cb -0.21 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.31 1k9r s LEU 30 CO -0.12 -1.94 1.03 0.21 -1.32 0.00 0.00 176.35 174.22 1k9r s ASN 31 N 6.85 6.82 0.01 3.68 3.84 0.26 -0.53 114.94 135.87 1k9r s ASN 31 Ca 0.76 0.84 0.28 0.00 0.21 0.00 0.00 52.86 54.96 1k9r s ASN 31 Cb -0.19 -2.52 1.10 0.00 -0.55 0.00 0.00 41.25 39.09 1k9r s ASN 31 CO 0.30 -0.91 1.84 1.41 -2.79 0.00 0.00 177.10 176.95 1k9r n HIS 32 N 6.94 0.06 -0.05 0.43 8.25 0.18 -0.22 115.22 130.80 1k9r n HIS 32 Ca 0.10 0.02 -0.02 0.00 -0.26 0.00 0.00 57.72 57.56 1k9r n HIS 32 Cb 0.48 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 1k9r n HIS 32 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1k9r h ILE 33 N 0.00 0.00 -0.08 1.59 2.04 -1.88 -3.35 117.51 115.83 1k9r h ILE 33 Ca 0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1k9r h ILE 33 Cb 0.52 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1k9r h ILE 33 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62 1k9r n ASP 34 N -4.51 1.06 -3.33 1.72 8.00 -1.25 -4.96 116.55 113.28 1k9r n ASP 34 Ca -0.03 -1.53 -0.15 0.00 0.71 0.00 0.00 54.79 53.80 1k9r n ASP 34 Cb 0.10 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.16 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9r n GLN 35 N -0.11 -1.65 -3.44 -1.24 6.02 0.69 -5.00 117.38 112.65 1k9r n GLN 35 Ca 0.17 1.35 -0.09 0.00 -0.01 0.00 0.00 57.00 58.42 1k9r n GLN 35 Cb 0.25 -4.11 0.01 0.00 1.02 0.00 0.00 30.24 27.41 1k9r n GLN 35 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1k9r n THR 36 N -1.59 0.00 -3.81 5.09 -1.04 -0.47 -4.93 114.28 107.53 1k9r n THR 36 Ca -0.10 -1.01 -0.29 0.00 -2.04 0.00 0.00 64.05 60.61 1k9r n THR 36 Cb 0.58 0.87 -0.13 0.00 -1.82 0.00 0.00 70.33 69.84 1k9r n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1k9r s THR 37 N -2.35 1.96 -0.14 12.58 -4.23 -1.26 0.90 115.64 123.10 1k9r s THR 37 Ca 0.16 -3.05 -0.28 0.00 -1.18 0.00 0.00 61.69 57.34 1k9r s THR 37 Cb -0.03 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 1k9r s THR 37 CO 0.12 -0.89 0.97 -0.89 -0.54 0.00 0.00 174.62 173.39 1k9r s THR 38 N -0.12 4.79 0.00 3.99 2.01 -0.09 -4.67 115.64 121.55 1k9r s THR 38 Ca 0.19 1.95 0.00 0.00 0.31 0.00 0.00 61.69 64.14 1k9r s THR 38 Cb -0.21 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.03 1k9r s THR 38 CO -0.03 -0.02 0.00 0.79 -0.69 0.00 0.00 174.62 174.67 1k9r n TRP 39 N 5.30 -0.23 -2.29 4.92 7.02 -1.26 0.17 117.44 131.06 1k9r n TRP 39 Ca 0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 1k9r n TRP 39 Cb 0.48 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.34 1k9r n TRP 39 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1k9r s GLN 40 N 0.00 4.38 0.06 -0.99 0.74 -1.25 -4.39 119.66 118.20 1k9r s GLN 40 Ca 0.00 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.34 1k9r s GLN 40 Cb 0.00 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.82 1k9r s GLN 40 CO 0.00 -0.34 0.00 -0.25 -0.55 0.00 0.00 175.29 174.15 1k9r n ASP 41 N 3.87 -0.53 -4.72 6.67 8.00 -1.26 -5.12 116.55 123.46 1k9r n ASP 41 Ca 0.10 0.55 -0.42 0.00 0.71 0.00 0.00 54.79 55.73 1k9r n ASP 41 Cb 0.44 0.92 -0.03 0.00 -0.02 0.00 0.00 41.12 42.43 1k9r n ASP 41 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1k9r s PRO 42 N -2.00 4.40 0.31 -0.24 0.04 -1.26 -4.80 135.00 131.45 1k9r s PRO 42 Ca 0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1k9r s PRO 42 Cb 0.00 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1k9r s PRO 42 CO 0.00 -0.28 0.00 0.54 0.04 0.00 0.00 177.00 177.30 1k9r n ARG 43 N 3.54 -2.26 0.00 4.56 1.74 -1.26 -4.89 116.66 118.09 1k9r n ARG 43 Ca 0.09 1.61 0.06 0.00 -0.77 0.00 0.00 57.85 58.83 1k9r n ARG 43 Cb 0.44 -2.80 0.05 0.00 -1.02 0.00 0.00 32.46 29.13 1k9r n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74