#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 -2.24 -2.47 -1.08 2.13 -1.26 -4.90 120.64 110.82 1k9r n GLU 6 Ca 0.00 1.90 -0.38 0.00 0.66 0.00 0.00 57.16 59.34 1k9r n GLU 6 Cb 0.00 -4.42 -0.04 0.00 0.27 0.00 0.00 31.44 27.25 1k9r n GLU 6 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1k9r s ILE 7 N -2.19 3.54 0.86 6.31 -4.36 -1.26 -5.02 121.20 119.08 1k9r s ILE 7 Ca 0.28 1.27 -0.12 0.00 -0.26 0.00 0.00 60.65 61.83 1k9r s ILE 7 Cb -0.06 -3.70 0.11 0.00 1.25 0.00 0.00 42.46 40.06 1k9r s ILE 7 CO 0.80 0.10 1.10 -2.16 0.24 0.00 0.00 174.94 175.01 1k9r s PRO 8 N -2.24 1.55 -0.30 0.37 0.04 -1.26 -4.91 135.00 128.24 1k9r s PRO 8 Ca 0.55 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1k9r s PRO 8 Cb -0.26 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1k9r s PRO 8 CO 0.33 -2.00 3.18 -0.40 0.04 0.00 0.00 177.00 178.14 1k9r n ASP 9 N -3.70 6.01 -1.37 6.66 5.75 -1.26 -4.43 116.55 124.21 1k9r n ASP 9 Ca 0.07 -2.84 0.07 0.00 -0.01 0.00 0.00 54.79 52.08 1k9r n ASP 9 Cb 0.56 -1.34 0.29 0.00 -1.03 0.00 0.00 41.12 39.60 1k9r n ASP 9 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1k9r n ASP 10 N 1.77 4.02 -3.82 -1.12 2.03 -1.26 -4.87 116.55 113.29 1k9r n ASP 10 Ca 0.47 -2.43 -0.13 0.00 0.52 0.00 0.00 54.79 53.23 1k9r n ASP 10 Cb 0.71 -0.54 -0.15 0.00 -0.72 0.00 0.00 41.12 40.42 1k9r n ASP 10 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1k9r s VAL 11 N -1.90 -0.03 -0.06 5.18 0.11 -1.26 -5.06 120.40 117.38 1k9r s VAL 11 Ca 0.41 0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 59.33 1k9r s VAL 11 Cb 0.27 -0.05 -0.18 0.00 -1.53 0.00 0.00 36.38 34.89 1k9r s VAL 11 CO 0.18 0.04 0.91 1.55 -3.33 0.00 0.00 175.10 174.45 1k9r h PRO 12 N 6.67 -0.13 -3.90 1.54 0.13 -1.99 -3.48 132.00 130.85 1k9r h PRO 12 Ca -0.34 0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.69 1k9r h PRO 12 Cb 1.17 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1k9r h PRO 12 CO 0.49 0.39 -0.49 -0.51 -0.23 0.00 0.00 178.00 177.66 1k9r s LEU 13 N -8.90 1.78 0.00 1.56 1.02 -1.26 -4.32 118.68 108.57 1k9r s LEU 13 Ca -0.14 -0.69 -0.13 0.00 0.02 0.00 0.00 54.13 53.19 1k9r s LEU 13 Cb 0.00 0.71 0.19 0.00 0.02 0.00 0.00 46.19 47.12 1k9r s LEU 13 CO 0.53 -0.63 0.77 -0.81 0.02 0.00 0.00 176.35 176.24 1k9r n PRO 14 N 0.23 -2.10 -1.20 1.29 -0.04 -1.26 -4.98 135.00 126.95 1k9r n PRO 14 Ca -0.16 -1.22 -0.29 0.00 -0.04 0.00 0.00 63.50 61.79 1k9r n PRO 14 Cb 0.61 -1.06 0.17 0.00 -0.04 0.00 0.00 33.50 33.18 1k9r n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k9r s ALA 15 N -3.23 1.01 -0.88 0.55 0.00 -1.26 -3.60 121.76 114.36 1k9r s ALA 15 Ca 0.48 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1k9r s ALA 15 Cb -0.04 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1k9r s ALA 15 CO 0.36 -2.81 0.00 0.41 0.00 0.00 0.00 175.76 173.73 1k9r n GLY 16 N -1.19 0.96 3.42 0.00 0.00 -1.26 -4.88 105.19 102.24 1k9r n GLY 16 Ca 0.05 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.10 2.47 -0.37 1.61 0.52 -1.24 0.62 118.94 120.45 1k9r s TRP 17 Ca 0.00 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.81 1k9r s TRP 17 Cb 0.00 -1.42 0.12 0.00 -1.15 0.00 0.00 33.47 31.02 1k9r s TRP 17 CO 0.00 0.23 0.18 -1.21 0.02 0.00 0.00 176.95 176.16 1k9r s GLU 18 N -1.46 0.92 -0.11 4.98 8.01 -0.26 -4.93 118.70 125.87 1k9r s GLU 18 Ca 0.14 -1.50 -0.29 0.00 0.01 0.00 0.00 54.97 53.32 1k9r s GLU 18 Cb -0.10 -2.02 -0.04 0.00 -4.31 0.00 0.00 34.13 27.66 1k9r s GLU 18 CO 0.05 -1.10 1.49 0.00 0.01 0.00 0.00 175.26 175.71 1k9r s MET 19 N 1.00 4.19 0.00 1.61 0.23 -1.26 -1.57 119.30 123.50 1k9r s MET 19 Ca 0.14 1.95 0.00 0.00 -1.03 0.00 0.00 55.69 56.75 1k9r s MET 19 Cb -0.21 -3.90 0.00 0.00 -1.53 0.00 0.00 34.83 29.19 1k9r s MET 19 CO -0.10 -0.81 0.00 0.00 -2.03 0.00 0.00 175.02 172.08 1k9r n ALA 20 N 6.96 0.00 -2.39 3.16 0.00 0.68 -4.97 120.51 123.96 1k9r n ALA 20 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 1k9r n ALA 20 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 1.95 0.94 0.00 0.00 3.01 -1.26 0.12 119.74 124.50 1k9r s LYS 21 Ca 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 55.97 53.68 1k9r s LYS 21 Cb 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 37.83 36.22 1k9r s LYS 21 CO 0.00 0.09 0.00 -2.37 0.51 0.00 0.00 175.35 173.58 1k9r n THR 22 N 0.27 0.00 -1.82 2.17 5.66 -0.69 -4.76 114.28 115.11 1k9r n THR 22 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1k9r n THR 22 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 0.00 0.00 0.02 1.09 2.88 -1.26 -3.18 113.62 113.16 1k9r n SER 23 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1k9r n SER 23 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -2.63 0.60 0.00 -3.46 2.88 -1.26 -4.87 113.62 104.89 1k9r n SER 24 Ca 0.00 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1k9r n SER 24 Cb 0.00 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 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 1.38 -1.40 3.65 0.46 0.00 -1.19 -5.17 105.19 102.92 1k9r n GLY 25 Ca 0.02 0.93 -0.02 0.00 0.00 0.00 0.00 46.02 46.95 1k9r n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k9r s GLN 26 N 0.00 0.12 -0.19 1.61 -0.44 -1.24 -5.02 119.66 114.50 1k9r s GLN 26 Ca 0.00 0.16 -0.29 0.00 -2.50 0.00 0.00 55.36 52.73 1k9r s GLN 26 Cb 0.00 0.05 -0.00 0.00 -1.64 0.00 0.00 33.01 31.41 1k9r s GLN 26 CO 0.00 -0.02 1.11 1.03 0.50 0.00 0.00 175.29 177.92 1k9r s ARG 27 N 0.43 4.27 0.47 1.67 3.00 -1.26 -1.70 118.95 125.84 1k9r s ARG 27 Ca 0.01 1.47 0.06 0.00 0.00 0.00 0.00 55.73 57.27 1k9r s ARG 27 Cb -0.04 -3.67 -0.01 0.00 0.00 0.00 0.00 34.95 31.23 1k9r s ARG 27 CO -0.13 -0.62 0.25 1.52 0.00 0.00 0.00 175.30 176.33 1k9r s TYR 28 N 3.13 2.16 -0.28 -0.53 1.13 0.32 -4.70 117.35 118.58 1k9r s TYR 28 Ca 0.48 -0.72 0.01 0.00 -1.41 0.00 0.00 57.07 55.43 1k9r s TYR 28 Cb -0.18 -1.92 0.08 0.00 -1.10 0.00 0.00 41.96 38.85 1k9r s TYR 28 CO 0.11 -0.07 0.02 -0.06 -2.51 0.00 0.00 175.55 173.03 1k9r s PHE 29 N -2.69 2.44 -0.47 -3.49 0.40 0.10 -0.23 117.98 114.05 1k9r s PHE 29 Ca 0.34 -1.99 -0.27 0.00 -0.60 0.00 0.00 56.93 54.41 1k9r s PHE 29 Cb 0.01 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.67 1k9r s PHE 29 CO 0.20 -0.84 1.04 -0.51 0.70 0.00 0.00 175.22 175.81 1k9r s LEU 30 N 1.37 3.81 -0.41 -0.37 1.43 -0.61 -1.25 118.68 122.66 1k9r s LEU 30 Ca 0.03 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.15 1k9r s LEU 30 Cb -0.18 -3.38 0.02 0.00 0.03 0.00 0.00 46.19 42.68 1k9r s LEU 30 CO -0.12 -1.15 1.10 0.21 0.23 0.00 0.00 176.35 176.62 1k9r s ASN 31 N 2.36 6.76 0.00 2.29 3.84 0.36 -1.10 114.94 129.45 1k9r s ASN 31 Ca 0.43 0.71 0.28 0.00 0.21 0.00 0.00 52.86 54.49 1k9r s ASN 31 Cb -0.09 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.19 1k9r s ASN 31 CO 0.29 -1.08 1.84 1.41 -2.79 0.00 0.00 177.10 176.77 1k9r n HIS 32 N 7.38 0.00 -0.06 0.43 8.25 0.20 -0.03 115.22 131.39 1k9r n HIS 32 Ca 0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.56 1k9r n HIS 32 Cb 0.48 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 0.03 -0.43 1.59 2.04 -1.88 -3.36 117.51 115.50 1k9r h ILE 33 Ca 0.00 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1k9r h ILE 33 Cb 0.50 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1k9r h ILE 33 CO 0.00 0.01 0.00 0.47 0.00 0.00 0.00 178.15 178.63 1k9r n ASP 34 N -4.71 2.55 -3.32 1.72 8.00 -1.25 -4.98 116.55 114.54 1k9r n ASP 34 Ca -0.03 -1.96 -0.27 0.00 0.71 0.00 0.00 54.79 53.24 1k9r n ASP 34 Cb 0.11 -0.29 0.03 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.89 -2.00 -3.86 -1.24 6.02 0.95 -5.01 117.38 113.13 1k9r n GLN 35 Ca 0.17 1.57 -0.09 0.00 -0.01 0.00 0.00 57.00 58.64 1k9r n GLN 35 Cb 0.42 -3.31 -0.04 0.00 1.02 0.00 0.00 30.24 28.32 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1k9r s THR 36 N -2.03 0.01 -0.32 5.09 -4.23 -0.54 -4.92 115.64 108.70 1k9r s THR 36 Ca 0.29 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1k9r s THR 36 Cb -0.04 -1.89 0.10 0.00 1.34 0.00 0.00 72.50 72.01 1k9r s THR 36 CO 0.84 -0.07 0.07 0.42 -0.54 0.00 0.00 174.62 175.35 1k9r s THR 37 N -3.94 1.55 -0.18 3.99 -4.23 -1.26 0.14 115.64 111.71 1k9r s THR 37 Ca 0.15 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1k9r s THR 37 Cb -0.02 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1k9r s THR 37 CO 0.03 -0.63 0.06 0.28 -0.54 0.00 0.00 174.62 173.82 1k9r s THR 38 N 1.28 4.78 0.17 3.99 -1.32 -0.38 -4.78 115.64 119.37 1k9r s THR 38 Ca 0.10 -0.04 -0.13 0.00 -1.21 0.00 0.00 61.69 60.42 1k9r s THR 38 Cb -0.18 -3.15 0.07 0.00 -1.51 0.00 0.00 72.50 67.73 1k9r s THR 38 CO -0.17 0.46 1.74 -0.50 -2.21 0.00 0.00 174.62 173.94 1k9r h TRP 39 N 6.66 0.84 -1.02 9.09 4.06 -1.87 0.30 115.95 134.02 1k9r h TRP 39 Ca -0.37 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.53 1k9r h TRP 39 Cb 1.17 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 1k9r h TRP 39 CO 0.56 0.67 0.00 1.04 -3.56 0.00 0.00 178.44 177.15 1k9r n GLN 40 N -4.52 1.56 -4.45 0.49 3.00 -1.26 -4.42 117.38 107.79 1k9r n GLN 40 Ca 0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.80 1k9r n GLN 40 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.25 1k9r n GLN 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1k9r s ASP 41 N -1.00 1.89 -0.06 1.08 1.01 -1.26 -4.57 116.67 113.76 1k9r s ASP 41 Ca 0.00 -0.47 -0.19 0.00 0.71 0.00 0.00 52.55 52.60 1k9r s ASP 41 Cb 0.00 -0.14 -0.14 0.00 1.01 0.00 0.00 42.92 43.65 1k9r s ASP 41 CO 0.00 0.08 0.78 1.55 0.21 0.00 0.00 175.17 177.78 1k9r h PRO 42 N 4.95 -0.21 0.00 8.23 0.13 -1.96 -3.49 132.00 139.65 1k9r h PRO 42 Ca -0.39 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1k9r h PRO 42 Cb 1.17 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k9r h PRO 42 CO 0.44 0.19 0.00 -2.13 -0.23 0.00 0.00 178.00 176.27 1k9r n ARG 43 N -4.91 0.00 0.00 0.86 0.63 -1.26 -5.08 116.66 106.89 1k9r n ARG 43 Ca -0.07 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.98 1k9r n ARG 43 Cb 0.25 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.26 1k9r n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29