#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 0.56 -4.31 -1.08 4.07 -1.26 -5.03 120.64 113.59 1k9r n GLU 6 Ca 0.00 0.28 -0.17 0.00 -0.06 0.00 0.00 57.16 57.21 1k9r n GLU 6 Cb 0.00 -1.49 -0.10 0.00 -0.06 0.00 0.00 31.44 29.79 1k9r n GLU 6 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1k9r s ILE 7 N -2.65 1.43 0.19 6.31 -4.36 -1.26 -5.04 121.20 115.82 1k9r s ILE 7 Ca -0.33 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 57.92 1k9r s ILE 7 Cb 0.09 -2.00 -0.08 0.00 1.25 0.00 0.00 42.46 41.72 1k9r s ILE 7 CO 0.46 -0.63 1.48 1.55 0.24 0.00 0.00 174.94 178.03 1k9r h PRO 8 N 2.64 0.44 -6.28 0.37 0.13 -1.96 -3.48 132.00 123.85 1k9r h PRO 8 Ca -0.37 -0.32 -0.32 0.00 -0.87 0.00 0.00 66.00 64.12 1k9r h PRO 8 Cb 1.21 0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1k9r h PRO 8 CO 0.63 0.94 -0.89 -3.47 -0.23 0.00 0.00 178.00 174.98 1k9r n ASP 9 N -3.89 -5.92 0.18 1.44 2.03 -1.26 -4.87 116.55 104.26 1k9r n ASP 9 Ca -0.04 -0.37 -0.15 0.00 0.52 0.00 0.00 54.79 54.75 1k9r n ASP 9 Cb 0.66 -2.72 -0.08 0.00 -0.72 0.00 0.00 41.12 38.26 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 0.90 -1.14 -4.30 1.67 1.82 -1.93 -3.43 116.42 110.00 1k9r h ASP 10 Ca -0.43 0.11 -0.37 0.00 -0.39 0.00 0.00 57.03 55.95 1k9r h ASP 10 Cb 1.29 0.41 -0.25 0.00 0.68 0.00 0.00 39.33 41.45 1k9r h ASP 10 CO 0.29 -0.51 -0.77 0.54 -1.61 0.00 0.00 179.24 177.18 1k9r s VAL 11 N -5.94 0.77 -0.04 2.25 0.11 -1.26 -5.05 120.40 111.23 1k9r s VAL 11 Ca -0.17 -0.77 -0.26 0.00 -2.93 0.00 0.00 61.98 57.86 1k9r s VAL 11 Cb 0.06 -0.71 -0.21 0.00 -1.53 0.00 0.00 36.38 33.99 1k9r s VAL 11 CO 0.63 -0.03 1.16 1.55 -3.33 0.00 0.00 175.10 175.07 1k9r h PRO 12 N 5.20 0.03 -6.17 1.54 0.13 -1.88 -3.45 132.00 127.40 1k9r h PRO 12 Ca -0.34 -0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.08 1k9r h PRO 12 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 1k9r h PRO 12 CO 0.45 0.63 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.60 1k9r s LEU 13 N -8.97 2.87 0.00 1.56 1.02 -1.26 -4.09 118.68 109.81 1k9r s LEU 13 Ca -0.16 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1k9r s LEU 13 Cb 0.01 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.62 1k9r s LEU 13 CO 0.69 0.33 0.00 -0.81 0.02 0.00 0.00 176.35 176.58 1k9r n PRO 14 N 2.40 0.57 -1.47 1.29 -0.04 -1.26 -4.95 135.00 131.54 1k9r n PRO 14 Ca -0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 1k9r n PRO 14 Cb 0.52 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 34.14 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 -3.31 1.55 -0.65 0.55 0.00 -1.26 -3.63 121.76 115.03 1k9r s ALA 15 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1k9r s ALA 15 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1k9r s ALA 15 CO 0.00 -2.54 0.00 0.41 0.00 0.00 0.00 175.76 173.63 1k9r n GLY 16 N -2.05 0.68 3.58 0.00 0.00 -1.26 -4.89 105.19 101.25 1k9r n GLY 16 Ca 0.08 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.74 2.79 -0.31 1.61 0.52 -1.24 -0.48 118.94 120.10 1k9r s TRP 17 Ca 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 56.10 55.98 1k9r s TRP 17 Cb 0.00 -1.51 0.11 0.00 -1.15 0.00 0.00 33.47 30.92 1k9r s TRP 17 CO 0.00 0.39 0.15 -2.00 0.02 0.00 0.00 176.95 175.51 1k9r s GLU 18 N -1.86 0.32 -0.07 4.98 -6.30 -0.10 -4.95 118.70 110.73 1k9r s GLU 18 Ca 0.20 -0.78 -0.29 0.00 -2.50 0.00 0.00 54.97 51.59 1k9r s GLU 18 Cb -0.11 -1.25 -0.07 0.00 0.00 0.00 0.00 34.13 32.70 1k9r s GLU 18 CO 0.11 -1.07 1.96 0.00 0.02 0.00 0.00 175.26 176.28 1k9r s MET 19 N 1.79 3.85 0.00 4.30 0.23 -1.26 -1.00 119.30 127.21 1k9r s MET 19 Ca 0.11 2.31 0.00 0.00 -1.03 0.00 0.00 55.69 57.08 1k9r s MET 19 Cb -0.18 -4.18 0.00 0.00 -1.53 0.00 0.00 34.83 28.94 1k9r s MET 19 CO -0.26 -1.28 0.00 0.00 -2.03 0.00 0.00 175.02 171.45 1k9r n ALA 20 N 8.67 0.00 -2.58 3.16 0.00 0.15 -4.90 120.51 125.01 1k9r n ALA 20 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1k9r n ALA 20 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.72 1k9r n ALA 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1k9r s LYS 21 N -1.50 2.10 0.00 0.00 2.20 -1.26 0.10 119.74 121.38 1k9r s LYS 21 Ca 0.00 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 1k9r s LYS 21 Cb 0.00 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 1k9r s LYS 21 CO 0.00 0.42 0.00 -2.37 -0.36 0.00 0.00 175.35 173.04 1k9r n THR 22 N 2.76 0.00 -0.73 3.43 5.66 -0.66 -4.85 114.28 119.89 1k9r n THR 22 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1k9r n THR 22 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1k9r n THR 22 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1k9r n SER 23 N -0.39 0.00 -0.03 1.09 3.41 -1.26 -3.65 113.62 112.80 1k9r n SER 23 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1k9r n SER 23 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 1k9r n SER 23 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1k9r n SER 24 N -2.88 0.02 -2.89 4.04 2.88 -1.26 -4.86 113.62 108.67 1k9r n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k9r n SER 24 Cb 0.00 1.83 0.01 0.00 -0.75 0.00 0.00 64.21 65.29 1k9r n SER 24 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1k9r s GLY 25 N -4.68 -1.48 -0.30 0.46 0.00 -1.24 -5.15 107.32 94.94 1k9r s GLY 25 Ca -0.08 0.64 -0.18 0.00 0.00 0.00 0.00 44.72 45.09 1k9r s GLY 25 CO 0.89 4.03 1.23 1.20 0.00 0.00 0.00 173.10 180.45 1k9r s GLN 26 N 1.64 0.14 -0.16 2.90 -1.52 -1.25 -5.04 119.66 116.37 1k9r s GLN 26 Ca 0.18 0.22 -0.26 0.00 -1.95 0.00 0.00 55.36 53.56 1k9r s GLN 26 Cb 0.02 0.04 -0.01 0.00 -0.22 0.00 0.00 33.01 32.84 1k9r s GLN 26 CO -0.11 -0.03 0.86 1.03 -0.25 0.00 0.00 175.29 176.79 1k9r s ARG 27 N 0.86 4.31 0.56 2.91 3.00 -1.26 -1.65 118.95 127.67 1k9r s ARG 27 Ca -0.05 1.07 0.05 0.00 0.00 0.00 0.00 55.73 56.80 1k9r s ARG 27 Cb -0.03 -3.57 0.04 0.00 0.00 0.00 0.00 34.95 31.39 1k9r s ARG 27 CO -0.12 -0.33 0.38 1.52 0.00 0.00 0.00 175.30 176.76 1k9r s TYR 28 N 2.13 1.51 -0.32 -0.53 1.13 0.28 -4.75 117.35 116.80 1k9r s TYR 28 Ca 0.40 -0.89 0.01 0.00 -1.41 0.00 0.00 57.07 55.18 1k9r s TYR 28 Cb -0.17 -1.86 0.10 0.00 -1.10 0.00 0.00 41.96 38.93 1k9r s TYR 28 CO 0.13 -0.47 0.07 -0.06 -2.51 0.00 0.00 175.55 172.71 1k9r s PHE 29 N -2.81 2.62 -0.32 -3.49 0.40 0.38 0.33 117.98 115.09 1k9r s PHE 29 Ca 0.29 -2.29 -0.29 0.00 -0.60 0.00 0.00 56.93 54.05 1k9r s PHE 29 Cb -0.02 -2.24 -0.01 0.00 0.51 0.00 0.00 43.02 41.26 1k9r s PHE 29 CO 0.19 -0.91 1.67 -1.17 0.70 0.00 0.00 175.22 175.70 1k9r s LEU 30 N 1.30 3.61 -0.49 -0.37 2.96 -0.17 -1.71 118.68 123.81 1k9r s LEU 30 Ca 0.10 1.27 -0.23 0.00 -0.22 0.00 0.00 54.13 55.05 1k9r s LEU 30 Cb -0.18 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.01 1k9r s LEU 30 CO -0.17 -1.54 0.83 0.21 -1.32 0.00 0.00 176.35 174.36 1k9r s ASN 31 N 5.18 6.37 0.00 3.68 3.84 0.30 -0.92 114.94 133.40 1k9r s ASN 31 Ca 0.74 -0.25 0.30 0.00 0.21 0.00 0.00 52.86 53.86 1k9r s ASN 31 Cb -0.21 -2.40 1.54 0.00 -0.55 0.00 0.00 41.25 39.63 1k9r s ASN 31 CO 0.33 -1.03 2.05 1.57 -2.79 0.00 0.00 177.10 177.23 1k9r n HIS 32 N 6.95 0.00 -0.06 0.43 -0.00 0.37 -1.26 115.22 121.65 1k9r n HIS 32 Ca 0.02 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.15 1k9r n HIS 32 Cb 0.48 -0.22 -0.01 0.00 -0.12 0.00 0.00 29.99 30.12 1k9r n HIS 32 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1k9r n ILE 33 N -1.17 1.17 1.65 3.57 5.41 -1.23 -4.25 119.36 124.49 1k9r n ILE 33 Ca 0.16 0.26 0.07 0.00 1.00 0.00 0.00 62.75 64.25 1k9r n ILE 33 Cb 0.22 -2.23 0.35 0.00 -0.71 0.00 0.00 39.64 37.28 1k9r n ILE 33 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1k9r n ASP 34 N -4.18 0.69 -3.42 4.38 2.03 -1.26 -4.93 116.55 109.87 1k9r n ASP 34 Ca -0.06 -1.68 -0.15 0.00 0.52 0.00 0.00 54.79 53.42 1k9r n ASP 34 Cb 0.24 -0.06 0.01 0.00 -0.72 0.00 0.00 41.12 40.60 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k9r n GLN 35 N -0.26 -1.41 -3.01 -0.67 6.02 -0.39 -4.99 117.38 112.66 1k9r n GLN 35 Ca 0.12 1.03 -0.07 0.00 -0.01 0.00 0.00 57.00 58.07 1k9r n GLN 35 Cb 0.15 -4.37 0.01 0.00 1.02 0.00 0.00 30.24 27.06 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 -2.58 0.00 -3.66 5.09 -1.04 -0.60 -4.97 114.28 106.52 1k9r n THR 36 Ca -0.12 -0.80 -0.21 0.00 -2.04 0.00 0.00 64.05 60.88 1k9r n THR 36 Cb 0.58 0.71 -0.18 0.00 -1.82 0.00 0.00 70.33 69.63 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 -2.43 -0.12 0.03 12.58 -4.23 -1.26 0.11 115.64 120.33 1k9r s THR 37 Ca 0.13 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 1k9r s THR 37 Cb -0.03 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 1k9r s THR 37 CO 0.10 0.08 -0.10 0.28 -0.54 0.00 0.00 174.62 174.44 1k9r s THR 38 N 2.17 3.41 -0.08 3.99 -1.32 -0.70 -4.83 115.64 118.29 1k9r s THR 38 Ca 0.04 -0.96 -0.21 0.00 -1.21 0.00 0.00 61.69 59.36 1k9r s THR 38 Cb -0.13 -2.50 -0.29 0.00 -1.51 0.00 0.00 72.50 68.07 1k9r s THR 38 CO -0.04 0.33 0.75 -0.50 -2.21 0.00 0.00 174.62 172.94 1k9r h TRP 39 N 4.34 0.43 -1.11 9.09 4.06 -1.88 1.10 115.95 131.98 1k9r h TRP 39 Ca -0.48 -0.31 0.00 0.00 2.06 0.00 0.00 58.89 60.15 1k9r h TRP 39 Cb 1.16 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 1k9r h TRP 39 CO 0.57 1.36 0.00 1.04 -3.56 0.00 0.00 178.44 177.85 1k9r n GLN 40 N -4.14 0.38 -4.64 0.49 6.02 -1.26 -4.56 117.38 109.67 1k9r n GLN 40 Ca -0.18 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.57 1k9r n GLN 40 Cb 0.80 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.92 1k9r n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k9r s ASP 41 N -1.29 2.26 0.89 1.08 1.11 -1.26 -4.70 116.67 114.76 1k9r s ASP 41 Ca 0.00 -0.47 -0.12 0.00 0.18 0.00 0.00 52.55 52.14 1k9r s ASP 41 Cb 0.00 -0.20 0.13 0.00 1.07 0.00 0.00 42.92 43.92 1k9r s ASP 41 CO 0.00 0.15 1.10 -2.16 1.18 0.00 0.00 175.17 175.45 1k9r s PRO 42 N -1.01 1.31 2.02 8.23 0.04 -1.26 -4.83 135.00 139.50 1k9r s PRO 42 Ca 0.06 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1k9r s PRO 42 Cb -0.08 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1k9r s PRO 42 CO 0.01 -2.14 0.00 0.54 0.04 0.00 0.00 177.00 175.45 1k9r n ARG 43 N -3.78 0.00 0.00 4.56 3.00 -1.26 -4.67 116.66 114.51 1k9r n ARG 43 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 1k9r n ARG 43 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1k9r n ARG 43 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99