#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 -5.45 -1.89 -4.13 2.13 -1.26 -4.89 120.64 105.16 1k9r n GLU 6 Ca 0.00 0.59 -0.39 0.00 0.66 0.00 0.00 57.16 58.03 1k9r n GLU 6 Cb 0.00 -5.46 0.02 0.00 0.27 0.00 0.00 31.44 26.27 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 -3.33 2.30 0.33 6.31 -4.36 -1.26 -5.00 121.20 116.19 1k9r s ILE 7 Ca 0.62 0.24 -0.06 0.00 -0.26 0.00 0.00 60.65 61.19 1k9r s ILE 7 Cb -0.31 -3.13 0.08 0.00 1.25 0.00 0.00 42.46 40.35 1k9r s ILE 7 CO 0.83 0.01 0.33 -0.81 0.24 0.00 0.00 174.94 175.54 1k9r n PRO 8 N -0.63 -1.29 -2.21 0.37 -0.04 -1.26 -5.04 135.00 124.91 1k9r n PRO 8 Ca 0.08 -0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 62.99 1k9r n PRO 8 Cb 0.45 -0.45 0.06 0.00 -0.04 0.00 0.00 33.50 33.53 1k9r n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1k9r n ASP 9 N -3.46 -0.88 0.22 3.54 2.03 -1.26 -4.94 116.55 111.80 1k9r n ASP 9 Ca 0.04 -2.13 0.05 0.00 0.52 0.00 0.00 54.79 53.28 1k9r n ASP 9 Cb 0.17 0.41 0.50 0.00 -0.72 0.00 0.00 41.12 41.48 1k9r n ASP 9 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1k9r h ASP 10 N 0.93 0.00 -3.59 1.67 2.03 -1.96 -3.39 116.42 112.11 1k9r h ASP 10 Ca -0.43 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.22 1k9r h ASP 10 Cb 1.35 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.71 1k9r h ASP 10 CO -0.16 0.19 0.14 -0.69 -1.03 0.00 0.00 179.24 177.68 1k9r s VAL 11 N -4.61 4.83 0.00 4.15 1.01 -1.26 -4.98 120.40 119.54 1k9r s VAL 11 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1k9r s VAL 11 Cb 0.16 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1k9r s VAL 11 CO 0.69 -0.55 0.03 -0.81 0.00 0.00 0.00 175.10 174.47 1k9r n PRO 12 N 6.24 0.00 -3.98 2.72 -0.04 -1.26 -4.31 135.00 134.36 1k9r n PRO 12 Ca -0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1k9r n PRO 12 Cb 0.48 -0.28 -0.10 0.00 -0.04 0.00 0.00 33.50 33.56 1k9r n PRO 12 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k9r s LEU 13 N -0.40 2.05 0.00 1.53 1.02 -1.26 -4.56 118.68 117.06 1k9r s LEU 13 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 54.13 53.52 1k9r s LEU 13 Cb 0.00 0.40 0.00 0.00 0.02 0.00 0.00 46.19 46.61 1k9r s LEU 13 CO 0.00 -0.48 0.00 -0.81 0.02 0.00 0.00 176.35 175.08 1k9r n PRO 14 N 0.82 -0.01 -1.42 1.29 -0.04 -1.26 -4.95 135.00 129.42 1k9r n PRO 14 Ca -0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1k9r n PRO 14 Cb 0.58 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.19 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 -3.26 1.51 -0.50 0.55 0.00 -1.26 -3.58 121.76 115.22 1k9r s ALA 15 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1k9r s ALA 15 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1k9r s ALA 15 CO 0.00 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 173.70 1k9r n GLY 16 N -1.87 0.57 3.47 0.00 0.00 -1.26 -4.87 105.19 101.24 1k9r n GLY 16 Ca 0.06 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.67 2.69 -0.37 1.61 0.52 -1.23 0.10 118.94 120.59 1k9r s TRP 17 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 56.10 55.96 1k9r s TRP 17 Cb 0.00 -1.62 0.12 0.00 -1.15 0.00 0.00 33.47 30.82 1k9r s TRP 17 CO 0.00 0.19 0.16 -1.21 0.02 0.00 0.00 176.95 176.11 1k9r s GLU 18 N -0.79 1.03 0.01 4.98 8.01 -0.31 -4.93 118.70 126.69 1k9r s GLU 18 Ca 0.12 -1.56 -0.30 0.00 0.01 0.00 0.00 54.97 53.24 1k9r s GLU 18 Cb -0.11 -2.25 -0.06 0.00 -4.31 0.00 0.00 34.13 27.41 1k9r s GLU 18 CO 0.01 -1.06 1.54 0.00 0.01 0.00 0.00 175.26 175.75 1k9r s MET 19 N 0.99 4.23 0.00 1.61 0.23 -1.26 -1.28 119.30 123.82 1k9r s MET 19 Ca 0.13 2.13 0.00 0.00 -1.03 0.00 0.00 55.69 56.92 1k9r s MET 19 Cb -0.21 -3.68 0.00 0.00 -1.53 0.00 0.00 34.83 29.41 1k9r s MET 19 CO -0.12 -0.69 0.00 0.00 -2.03 0.00 0.00 175.02 172.18 1k9r n ALA 20 N 5.88 0.00 -2.43 3.16 0.00 0.12 -4.95 120.51 122.29 1k9r n ALA 20 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 1k9r n ALA 20 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 1.66 1.35 0.49 0.00 2.20 -1.26 0.13 119.74 124.32 1k9r s LYS 21 Ca 0.00 -1.50 0.02 0.00 -0.36 0.00 0.00 55.97 54.13 1k9r s LYS 21 Cb 0.00 -1.38 -0.01 0.00 -1.51 0.00 0.00 37.83 34.93 1k9r s LYS 21 CO 0.00 0.27 0.04 -0.08 -0.36 0.00 0.00 175.35 175.22 1k9r s THR 22 N -2.26 0.94 -0.94 3.43 -1.32 -0.96 -4.72 115.64 109.81 1k9r s THR 22 Ca 0.19 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.43 1k9r s THR 22 Cb -0.05 -2.15 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1k9r s THR 22 CO 0.08 0.00 1.89 -0.44 -2.21 0.00 0.00 174.62 173.94 1k9r s SER 23 N -3.82 5.29 0.00 8.08 0.01 -1.26 -3.42 113.70 118.58 1k9r s SER 23 Ca 0.08 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1k9r s SER 23 Cb 0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1k9r s SER 23 CO 0.05 -2.63 0.00 -1.20 0.41 0.00 0.00 173.24 169.87 1k9r n SER 24 N 13.44 0.00 0.00 2.44 7.64 -1.26 -4.99 113.62 130.89 1k9r n SER 24 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1k9r n SER 24 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1k9r n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k9r n GLY 25 N 0.00 1.83 3.05 0.23 0.00 -1.22 -5.12 105.19 103.96 1k9r n GLY 25 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1k9r n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k9r s GLN 26 N -0.24 0.51 -0.29 1.61 -0.21 -1.26 -5.05 119.66 114.72 1k9r s GLN 26 Ca 0.00 -0.94 -0.26 0.00 0.02 0.00 0.00 55.36 54.18 1k9r s GLN 26 Cb 0.00 0.06 0.01 0.00 1.00 0.00 0.00 33.01 34.08 1k9r s GLN 26 CO 0.00 -0.06 0.91 1.03 -2.12 0.00 0.00 175.29 175.06 1k9r s ARG 27 N -2.66 4.06 0.55 2.91 3.00 -1.26 -2.26 118.95 123.29 1k9r s ARG 27 Ca -0.04 0.88 0.09 0.00 0.00 0.00 0.00 55.73 56.66 1k9r s ARG 27 Cb -0.02 -3.71 0.07 0.00 0.00 0.00 0.00 34.95 31.30 1k9r s ARG 27 CO -0.05 -0.72 0.70 1.52 0.00 0.00 0.00 175.30 176.76 1k9r s TYR 28 N 3.18 1.60 -0.32 -0.53 1.13 0.35 -4.72 117.35 118.04 1k9r s TYR 28 Ca 0.38 -0.71 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 1k9r s TYR 28 Cb -0.14 -2.18 0.10 0.00 -1.10 0.00 0.00 41.96 38.64 1k9r s TYR 28 CO 0.12 -0.96 0.07 -0.06 -2.51 0.00 0.00 175.55 172.21 1k9r s PHE 29 N -2.65 2.71 -0.47 -3.49 0.40 0.36 0.13 117.98 114.98 1k9r s PHE 29 Ca 0.56 -2.33 -0.28 0.00 -0.60 0.00 0.00 56.93 54.28 1k9r s PHE 29 Cb -0.05 -2.27 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 1k9r s PHE 29 CO 0.35 -0.91 1.57 -0.51 0.70 0.00 0.00 175.22 176.43 1k9r s LEU 30 N 1.27 3.47 -0.56 -0.37 1.43 -0.40 -1.91 118.68 121.60 1k9r s LEU 30 Ca 0.09 0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 1k9r s LEU 30 Cb -0.18 -3.24 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1k9r s LEU 30 CO -0.16 -1.72 1.31 0.21 0.23 0.00 0.00 176.35 176.22 1k9r s ASN 31 N 5.19 6.29 0.00 2.29 3.84 0.42 -1.17 114.94 131.80 1k9r s ASN 31 Ca 0.64 0.24 0.28 0.00 0.21 0.00 0.00 52.86 54.24 1k9r s ASN 31 Cb -0.15 -2.55 1.67 0.00 -0.55 0.00 0.00 41.25 39.67 1k9r s ASN 31 CO 0.29 -1.59 2.08 1.41 -2.79 0.00 0.00 177.10 176.50 1k9r n HIS 32 N 9.01 0.00 -0.06 0.43 8.25 0.29 -1.23 115.22 131.91 1k9r n HIS 32 Ca 0.11 -0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1k9r n HIS 32 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 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 0.11 0.00 -0.55 1.59 2.04 -1.88 -3.38 117.51 115.45 1k9r h ILE 33 Ca 0.00 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1k9r h ILE 33 Cb 0.02 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 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 -4.45 4.52 -3.53 1.72 9.92 -1.25 -4.96 116.55 118.51 1k9r n ASP 34 Ca -0.06 -2.52 -0.17 0.00 -0.53 0.00 0.00 54.79 51.51 1k9r n ASP 34 Cb 0.23 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k9r n GLN 35 N 0.83 -1.43 -4.07 -1.24 6.02 -0.36 -4.99 117.38 112.13 1k9r n GLN 35 Ca 0.23 0.99 -0.13 0.00 -0.01 0.00 0.00 57.00 58.09 1k9r n GLN 35 Cb 0.89 -3.60 -0.05 0.00 1.02 0.00 0.00 30.24 28.49 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 -3.02 0.00 -0.04 5.09 -4.23 -0.57 -4.96 115.64 107.91 1k9r s THR 36 Ca 0.03 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1k9r s THR 36 Cb -0.01 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1k9r s THR 36 CO 0.84 0.00 0.03 0.42 -0.54 0.00 0.00 174.62 175.38 1k9r s THR 37 N -3.47 0.04 0.18 3.99 -4.23 -1.26 0.16 115.64 111.05 1k9r s THR 37 Ca 0.29 0.28 0.11 0.00 -1.18 0.00 0.00 61.69 61.18 1k9r s THR 37 Cb 0.00 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 1k9r s THR 37 CO 0.16 0.17 -0.22 0.28 -0.54 0.00 0.00 174.62 174.47 1k9r s THR 38 N 1.74 2.19 -0.14 3.99 -1.32 -0.80 -4.86 115.64 116.45 1k9r s THR 38 Ca -0.00 -1.98 -0.12 0.00 -1.21 0.00 0.00 61.69 58.38 1k9r s THR 38 Cb -0.12 -2.03 -0.25 0.00 -1.51 0.00 0.00 72.50 68.59 1k9r s THR 38 CO -0.03 -0.16 0.37 -0.50 -2.21 0.00 0.00 174.62 172.08 1k9r h TRP 39 N 3.25 0.37 -0.33 9.09 4.06 -1.89 1.05 115.95 131.54 1k9r h TRP 39 Ca -0.45 -0.27 0.24 0.00 2.06 0.00 0.00 58.89 60.47 1k9r h TRP 39 Cb 1.21 -0.01 -0.25 0.00 -1.00 0.00 0.00 29.16 29.10 1k9r h TRP 39 CO 0.68 1.68 0.37 -1.14 -3.56 0.00 0.00 178.44 176.48 1k9r s GLN 40 N -2.50 0.11 0.05 0.49 -0.44 -1.26 -4.64 119.66 111.47 1k9r s GLN 40 Ca -0.23 0.26 0.00 0.00 -2.50 0.00 0.00 55.36 52.89 1k9r s GLN 40 Cb 0.06 0.15 0.00 0.00 -1.64 0.00 0.00 33.01 31.58 1k9r s GLN 40 CO 0.73 -0.06 0.00 -0.25 0.50 0.00 0.00 175.29 176.20 1k9r n ASP 41 N 4.93 -0.43 -4.73 6.67 8.00 -1.26 -5.12 116.55 124.62 1k9r n ASP 41 Ca -0.08 0.53 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 1k9r n ASP 41 Cb 0.54 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 42.45 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 4.43 -0.54 -0.24 0.04 -1.26 -4.04 135.00 131.39 1k9r s PRO 42 Ca 0.00 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 1k9r s PRO 42 Cb 0.00 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1k9r s PRO 42 CO 0.00 -0.21 0.64 -2.13 0.04 0.00 0.00 177.00 175.33 1k9r n ARG 43 N 3.03 -1.97 0.00 4.56 3.00 -1.26 -4.90 116.66 119.11 1k9r n ARG 43 Ca 0.07 1.69 0.09 0.00 -0.00 0.00 0.00 57.85 59.70 1k9r n ARG 43 Cb 0.44 -4.49 0.56 0.00 0.00 0.00 0.00 32.46 28.97 1k9r n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26