#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9r s GLU 6 N 0.00 0.22 -0.22 -1.08 -6.30 -1.26 -5.11 118.70 104.95 1k9r s GLU 6 Ca 0.00 -0.12 -0.29 0.00 -2.50 0.00 0.00 54.97 52.06 1k9r s GLU 6 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 34.13 34.11 1k9r s GLU 6 CO 0.00 -0.31 1.93 0.96 0.02 0.00 0.00 175.26 177.86 1k9r s ILE 7 N 1.69 3.30 -0.74 -3.70 -5.25 -1.26 -4.83 121.20 110.42 1k9r s ILE 7 Ca 0.17 0.33 0.23 0.00 -0.99 0.00 0.00 60.65 60.39 1k9r s ILE 7 Cb 0.05 -3.36 0.23 0.00 2.95 0.00 0.00 42.46 42.33 1k9r s ILE 7 CO -0.13 -0.19 1.70 -0.81 -1.79 0.00 0.00 174.94 173.72 1k9r n PRO 8 N 8.27 0.14 -1.97 0.37 -0.04 -1.26 -4.87 135.00 135.64 1k9r n PRO 8 Ca 0.24 0.27 -0.08 0.00 -0.04 0.00 0.00 63.50 63.89 1k9r n PRO 8 Cb 0.45 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.96 -2.47 -1.51 3.54 2.03 -1.26 -0.43 116.55 114.48 1k9r n ASP 9 Ca 0.04 0.26 -0.14 0.00 0.52 0.00 0.00 54.79 55.47 1k9r n ASP 9 Cb 0.28 -2.29 -0.06 0.00 -0.72 0.00 0.00 41.12 38.34 1k9r n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1k9r n ASP 10 N -0.96 -3.80 -3.68 1.67 2.03 -1.26 -4.90 116.55 105.65 1k9r n ASP 10 Ca -0.08 0.33 -0.14 0.00 0.52 0.00 0.00 54.79 55.42 1k9r n ASP 10 Cb 0.44 -3.48 -0.14 0.00 -0.72 0.00 0.00 41.12 37.22 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 -2.25 -0.27 -0.10 5.18 0.11 0.42 -5.06 120.40 118.43 1k9r s VAL 11 Ca 0.00 0.26 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1k9r s VAL 11 Cb 0.00 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1k9r s VAL 11 CO 0.00 0.11 -0.03 1.55 -3.33 0.00 0.00 175.10 173.39 1k9r h PRO 12 N 7.97 0.00 -5.71 1.54 0.13 -1.91 -3.48 132.00 130.54 1k9r h PRO 12 Ca -0.22 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.41 1k9r h PRO 12 Cb 1.13 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.02 1k9r h PRO 12 CO 0.21 0.00 -0.81 -0.51 -0.23 0.00 0.00 178.00 176.66 1k9r s LEU 13 N -8.20 2.22 0.00 1.56 1.02 -1.26 -4.35 118.68 109.66 1k9r s LEU 13 Ca -0.03 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.57 1k9r s LEU 13 Cb 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 46.19 45.47 1k9r s LEU 13 CO 0.04 0.05 0.00 -0.81 0.02 0.00 0.00 176.35 175.65 1k9r n PRO 14 N 1.59 0.48 -1.55 1.29 -0.04 -1.26 -4.95 135.00 130.55 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 0.54 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.15 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 -3.28 1.76 -0.56 0.55 0.00 -1.26 -3.67 121.76 115.31 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 -2.37 0.00 0.41 0.00 0.00 0.00 175.76 173.80 1k9r n GLY 16 N -2.30 0.61 3.52 0.00 0.00 -1.26 -4.90 105.19 100.86 1k9r n GLY 16 Ca 0.08 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.69 2.73 -0.34 1.61 0.52 -1.24 -0.92 118.94 119.61 1k9r s TRP 17 Ca 0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 56.10 55.98 1k9r s TRP 17 Cb 0.00 -1.56 0.11 0.00 -1.15 0.00 0.00 33.47 30.87 1k9r s TRP 17 CO 0.00 0.29 0.14 -1.21 0.02 0.00 0.00 176.95 176.19 1k9r s GLU 18 N -1.27 0.78 0.02 4.98 8.01 -0.27 -4.97 118.70 125.97 1k9r s GLU 18 Ca 0.15 -1.26 -0.30 0.00 0.01 0.00 0.00 54.97 53.56 1k9r s GLU 18 Cb -0.11 -1.92 -0.07 0.00 -4.31 0.00 0.00 34.13 27.73 1k9r s GLU 18 CO 0.05 -1.05 1.55 0.00 0.01 0.00 0.00 175.26 175.82 1k9r s MET 19 N 1.32 4.23 0.00 1.61 0.23 -1.26 -1.48 119.30 123.95 1k9r s MET 19 Ca 0.12 2.15 0.00 0.00 -1.03 0.00 0.00 55.69 56.94 1k9r s MET 19 Cb -0.19 -3.66 0.00 0.00 -1.53 0.00 0.00 34.83 29.45 1k9r s MET 19 CO -0.18 -0.69 0.00 0.00 -2.03 0.00 0.00 175.02 172.12 1k9r n ALA 20 N 5.80 0.00 -3.49 3.16 0.00 0.28 -4.95 120.51 121.30 1k9r n ALA 20 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 1k9r n ALA 20 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 1k9r n ALA 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1k9r s LYS 21 N 3.11 1.41 0.00 0.00 -2.85 -1.26 -1.19 119.74 118.97 1k9r s LYS 21 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1k9r s LYS 21 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1k9r s LYS 21 CO 0.00 -0.62 0.00 -2.37 0.10 0.00 0.00 175.35 172.46 1k9r n THR 22 N -0.39 0.00 -0.63 3.79 5.66 -0.75 -4.67 114.28 117.29 1k9r n THR 22 Ca -0.13 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.56 1k9r n THR 22 Cb 0.63 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.60 1k9r n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1k9r n SER 23 N 0.00 -2.31 0.00 1.09 7.64 -1.26 -2.92 113.62 115.86 1k9r n SER 23 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1k9r n SER 23 Cb 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1k9r n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1k9r n SER 24 N -2.27 0.00 -2.94 6.43 2.88 -1.26 -3.32 113.62 113.15 1k9r n SER 24 Ca 0.01 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.35 1k9r n SER 24 Cb 0.61 -1.19 0.05 0.00 -0.75 0.00 0.00 64.21 62.93 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 -2.00 -0.34 3.40 0.46 0.00 -1.15 -5.00 105.19 100.56 1k9r n GLY 25 Ca 0.00 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.88 1.46 0.26 1.61 -1.52 -1.21 -4.99 119.66 109.38 1k9r s GLN 26 Ca 0.40 -1.45 -0.29 0.00 -1.95 0.00 0.00 55.36 52.07 1k9r s GLN 26 Cb -0.18 -1.84 -0.09 0.00 -0.22 0.00 0.00 33.01 30.68 1k9r s GLN 26 CO 0.50 0.41 1.19 1.03 -0.25 0.00 0.00 175.29 178.17 1k9r s ARG 27 N -2.42 4.52 0.27 2.91 0.52 -1.26 -1.81 118.95 121.68 1k9r s ARG 27 Ca 0.18 1.94 0.03 0.00 -0.52 0.00 0.00 55.73 57.35 1k9r s ARG 27 Cb -0.09 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.15 1k9r s ARG 27 CO 0.08 0.01 0.06 1.52 0.02 0.00 0.00 175.30 176.99 1k9r s TYR 28 N -0.79 1.65 -0.28 -0.53 1.13 -0.33 -4.62 117.35 113.58 1k9r s TYR 28 Ca 0.48 -1.05 0.02 0.00 -1.41 0.00 0.00 57.07 55.12 1k9r s TYR 28 Cb -0.34 -1.00 0.07 0.00 -1.10 0.00 0.00 41.96 39.59 1k9r s TYR 28 CO 0.42 -0.16 -0.03 -0.06 -2.51 0.00 0.00 175.55 173.21 1k9r s PHE 29 N -3.54 3.03 -0.37 -3.49 0.40 0.35 0.98 117.98 115.35 1k9r s PHE 29 Ca 0.34 -2.30 -0.29 0.00 -0.60 0.00 0.00 56.93 54.08 1k9r s PHE 29 Cb 0.07 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.53 1k9r s PHE 29 CO 0.12 -0.87 1.25 -1.17 0.70 0.00 0.00 175.22 175.26 1k9r s LEU 30 N 1.17 3.77 -0.49 -0.37 2.96 -0.55 -1.76 118.68 123.42 1k9r s LEU 30 Ca -0.01 0.93 -0.21 0.00 -0.22 0.00 0.00 54.13 54.62 1k9r s LEU 30 Cb -0.19 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.00 1k9r s LEU 30 CO -0.08 -1.16 0.72 0.21 -1.32 0.00 0.00 176.35 174.72 1k9r s ASN 31 N 2.77 6.30 0.00 3.68 3.84 0.31 -1.11 114.94 130.73 1k9r s ASN 31 Ca 0.54 -0.53 0.30 0.00 0.21 0.00 0.00 52.86 53.38 1k9r s ASN 31 Cb -0.13 -2.34 1.52 0.00 -0.55 0.00 0.00 41.25 39.75 1k9r s ASN 31 CO 0.26 -0.94 2.02 1.41 -2.79 0.00 0.00 177.10 177.06 1k9r n HIS 32 N 6.56 0.00 -0.05 0.43 8.25 -0.09 -1.23 115.22 129.09 1k9r n HIS 32 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1k9r n HIS 32 Cb 0.47 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 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 0.51 0.00 -0.41 1.59 2.04 -1.91 -3.38 117.51 115.96 1k9r h ILE 33 Ca 0.00 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1k9r h ILE 33 Cb 0.22 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 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 -4.05 2.38 -3.28 1.72 8.00 -1.26 -4.97 116.55 115.09 1k9r n ASP 34 Ca -0.05 -2.05 -0.19 0.00 0.71 0.00 0.00 54.79 53.20 1k9r n ASP 34 Cb 0.19 -0.31 0.01 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.69 -1.87 -3.85 -1.24 3.00 -0.36 -5.01 117.38 108.74 1k9r n GLN 35 Ca 0.14 1.51 -0.09 0.00 -0.01 0.00 0.00 57.00 58.56 1k9r n GLN 35 Cb 0.39 -3.90 0.00 0.00 0.00 0.00 0.00 30.24 26.73 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1k9r s THR 36 N -2.42 0.00 -0.04 5.09 -4.23 -0.59 -4.96 115.64 108.49 1k9r s THR 36 Ca 0.19 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.63 1k9r s THR 36 Cb -0.03 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1k9r s THR 36 CO 0.82 0.00 0.07 0.42 -0.54 0.00 0.00 174.62 175.40 1k9r s THR 37 N -2.92 -0.11 0.29 3.99 -4.23 -1.26 0.11 115.64 111.52 1k9r s THR 37 Ca 0.15 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1k9r s THR 37 Cb -0.05 -0.15 -0.05 0.00 1.34 0.00 0.00 72.50 73.58 1k9r s THR 37 CO 0.10 0.14 -0.18 0.28 -0.54 0.00 0.00 174.62 174.43 1k9r s THR 38 N 1.74 2.42 -0.13 3.99 -1.32 -0.72 -4.85 115.64 116.77 1k9r s THR 38 Ca -0.01 -2.36 0.20 0.00 -1.21 0.00 0.00 61.69 58.31 1k9r s THR 38 Cb -0.12 -2.37 -0.18 0.00 -1.51 0.00 0.00 72.50 68.32 1k9r s THR 38 CO -0.04 -0.36 0.67 0.79 -2.21 0.00 0.00 174.62 173.48 1k9r n TRP 39 N -0.65 0.56 -3.16 9.09 7.02 -1.26 0.13 117.44 129.16 1k9r n TRP 39 Ca -0.05 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 1k9r n TRP 39 Cb 0.61 -0.87 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 1k9r n TRP 39 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1k9r n GLN 40 N -2.63 2.56 -3.53 -0.99 6.02 -1.26 -4.69 117.38 112.86 1k9r n GLN 40 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.53 1k9r n GLN 40 Cb 0.73 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.93 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 -0.42 6.66 -0.06 1.08 1.11 -1.26 -4.79 116.67 118.99 1k9r s ASP 41 Ca 0.00 0.78 -0.23 0.00 0.18 0.00 0.00 52.55 53.28 1k9r s ASP 41 Cb 0.00 -2.22 -0.18 0.00 1.07 0.00 0.00 42.92 41.59 1k9r s ASP 41 CO 0.00 0.24 0.91 1.55 1.18 0.00 0.00 175.17 179.05 1k9r h PRO 42 N 5.46 -0.12 -5.97 8.23 0.13 -2.00 -3.40 132.00 134.33 1k9r h PRO 42 Ca -0.48 0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 1k9r h PRO 42 Cb 1.20 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1k9r h PRO 42 CO 0.66 0.40 1.32 0.50 -0.23 0.00 0.00 178.00 180.65 1k9r s ARG 43 N -3.34 2.63 0.00 0.86 3.52 -1.26 -5.16 118.95 116.19 1k9r s ARG 43 Ca -0.14 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1k9r s ARG 43 Cb 0.00 -4.43 0.00 0.00 -1.56 0.00 0.00 34.95 28.97 1k9r s ARG 43 CO 0.54 -2.76 0.00 1.63 -0.81 0.00 0.00 175.30 173.90