#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 0.16 -4.82 -1.08 1.02 -1.26 -5.05 120.64 109.61 1k9r n GLU 6 Ca 0.00 0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.90 1k9r n GLU 6 Cb 0.00 -0.77 -0.14 0.00 -0.02 0.00 0.00 31.44 30.52 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 -2.20 2.56 0.00 -3.67 1.01 -1.26 -5.09 121.20 112.54 1k9r s ILE 7 Ca -0.09 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1k9r s ILE 7 Cb 0.03 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1k9r s ILE 7 CO 0.13 0.40 0.07 -0.81 0.00 0.00 0.00 174.94 174.72 1k9r n PRO 8 N 1.78 0.00 -0.21 2.79 -0.04 -1.26 -4.09 135.00 133.97 1k9r n PRO 8 Ca -0.16 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.47 1k9r n PRO 8 Cb 0.52 -0.38 0.50 0.00 -0.04 0.00 0.00 33.50 34.10 1k9r n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1k9r h ASP 9 N 0.00 0.42 -5.99 3.54 3.32 -2.07 -3.46 116.42 112.19 1k9r h ASP 9 Ca 0.00 0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 1k9r h ASP 9 Cb 0.00 -0.05 0.10 0.00 0.22 0.00 0.00 39.33 39.60 1k9r h ASP 9 CO 0.00 0.19 -0.82 -0.67 -1.72 0.00 0.00 179.24 176.22 1k9r n ASP 10 N -4.50 -5.90 -4.84 6.45 2.03 -1.26 -4.95 116.55 103.57 1k9r n ASP 10 Ca 0.17 -0.83 -0.36 0.00 0.52 0.00 0.00 54.79 54.29 1k9r n ASP 10 Cb 0.61 -3.90 -0.06 0.00 -0.72 0.00 0.00 41.12 37.05 1k9r n ASP 10 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1k9r s VAL 11 N -3.36 4.96 0.00 5.18 1.01 -1.26 -5.09 120.40 121.84 1k9r s VAL 11 Ca 0.39 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1k9r s VAL 11 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1k9r s VAL 11 CO 0.82 0.38 0.00 -0.81 0.00 0.00 0.00 175.10 175.50 1k9r n PRO 12 N 1.21 1.13 -1.97 2.72 -0.04 -1.26 -4.93 135.00 131.86 1k9r n PRO 12 Ca -0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 1k9r n PRO 12 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.00 4.38 0.00 1.53 1.02 -1.26 -4.91 118.68 119.44 1k9r s LEU 13 Ca 0.00 2.83 0.00 0.00 0.02 0.00 0.00 54.13 56.98 1k9r s LEU 13 Cb 0.00 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.56 1k9r s LEU 13 CO 0.00 -0.70 0.00 -0.81 0.02 0.00 0.00 176.35 174.86 1k9r n PRO 14 N 0.96 0.57 -1.46 1.29 -0.04 -1.26 -4.95 135.00 130.10 1k9r n PRO 14 Ca 0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1k9r n PRO 14 Cb 0.40 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.04 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 -3.32 1.49 -0.92 0.55 0.00 -1.26 -3.66 121.76 114.65 1k9r s ALA 15 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1k9r s ALA 15 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1k9r s ALA 15 CO 0.00 -2.68 0.00 0.41 0.00 0.00 0.00 175.76 173.49 1k9r n GLY 16 N -2.08 0.90 3.61 0.00 0.00 -1.26 -4.87 105.19 101.49 1k9r n GLY 16 Ca 0.09 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.90 2.89 -0.34 1.61 0.52 -1.24 -0.66 118.94 119.82 1k9r s TRP 17 Ca 0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 56.10 56.06 1k9r s TRP 17 Cb 0.00 -1.57 0.12 0.00 -1.15 0.00 0.00 33.47 30.86 1k9r s TRP 17 CO 0.00 0.40 0.16 -1.21 0.02 0.00 0.00 176.95 176.32 1k9r s GLU 18 N -1.66 0.65 0.06 4.98 8.01 -0.14 -4.95 118.70 125.64 1k9r s GLU 18 Ca 0.19 -1.18 -0.31 0.00 0.01 0.00 0.00 54.97 53.68 1k9r s GLU 18 Cb -0.11 -1.68 -0.08 0.00 -4.31 0.00 0.00 34.13 27.96 1k9r s GLU 18 CO 0.10 -1.08 1.57 0.00 0.01 0.00 0.00 175.26 175.86 1k9r s MET 19 N 1.36 4.22 0.00 1.61 0.23 -1.26 -1.31 119.30 124.15 1k9r s MET 19 Ca 0.13 2.23 0.00 0.00 -1.03 0.00 0.00 55.69 57.02 1k9r s MET 19 Cb -0.20 -3.56 0.00 0.00 -1.53 0.00 0.00 34.83 29.55 1k9r s MET 19 CO -0.17 -0.68 0.00 0.00 -2.03 0.00 0.00 175.02 172.15 1k9r n ALA 20 N 5.39 0.00 -2.33 3.16 0.00 0.19 -4.93 120.51 121.99 1k9r n ALA 20 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 1k9r n ALA 20 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 1.90 1.23 0.49 0.00 2.20 -1.26 0.12 119.74 124.43 1k9r s LYS 21 Ca 0.00 -1.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.10 1k9r s LYS 21 Cb 0.00 -0.98 -0.01 0.00 -1.51 0.00 0.00 37.83 35.33 1k9r s LYS 21 CO 0.00 0.16 0.06 -0.08 -0.36 0.00 0.00 175.35 175.13 1k9r s THR 22 N -2.98 0.79 0.26 3.43 -1.32 -0.91 -4.71 115.64 110.21 1k9r s THR 22 Ca 0.20 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.64 1k9r s THR 22 Cb -0.00 -2.11 0.30 0.00 -1.51 0.00 0.00 72.50 69.18 1k9r s THR 22 CO 0.05 0.00 1.64 0.77 -2.21 0.00 0.00 174.62 174.87 1k9r h SER 23 N 1.45 -0.22 -0.19 8.08 4.64 -2.02 0.73 113.55 126.01 1k9r h SER 23 Ca -0.40 0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1k9r h SER 23 Cb 1.31 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 63.71 1k9r h SER 23 CO 0.65 -0.17 0.40 -1.28 -0.87 0.00 0.00 176.83 175.55 1k9r h SER 24 N 0.14 0.00 0.00 4.97 0.87 -2.05 -3.44 113.55 114.05 1k9r h SER 24 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1k9r h SER 24 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1k9r h SER 24 CO -0.67 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.24 1k9r n GLY 25 N -1.35 3.21 3.77 5.77 0.00 0.25 -5.05 105.19 111.80 1k9r n GLY 25 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.45 2.20 -0.29 1.61 -1.52 -1.26 -4.63 119.66 115.32 1k9r s GLN 26 Ca 0.00 1.05 -0.29 0.00 -1.95 0.00 0.00 55.36 54.17 1k9r s GLN 26 Cb 0.00 -1.90 0.01 0.00 -0.22 0.00 0.00 33.01 30.90 1k9r s GLN 26 CO 0.00 -1.65 1.11 1.03 -0.25 0.00 0.00 175.29 175.53 1k9r s ARG 27 N -4.95 4.10 0.49 2.91 3.00 -1.26 -2.14 118.95 121.11 1k9r s ARG 27 Ca 0.61 1.20 0.07 0.00 0.00 0.00 0.00 55.73 57.62 1k9r s ARG 27 Cb -0.17 -3.74 0.02 0.00 0.00 0.00 0.00 34.95 31.07 1k9r s ARG 27 CO 0.56 -0.86 0.47 1.52 0.00 0.00 0.00 175.30 176.99 1k9r s TYR 28 N 3.64 2.13 -0.30 -0.53 1.13 0.33 -4.71 117.35 119.03 1k9r s TYR 28 Ca 0.47 -0.64 0.02 0.00 -1.41 0.00 0.00 57.07 55.51 1k9r s TYR 28 Cb -0.14 -2.11 0.08 0.00 -1.10 0.00 0.00 41.96 38.69 1k9r s TYR 28 CO 0.14 -0.44 0.00 -0.06 -2.51 0.00 0.00 175.55 172.69 1k9r s PHE 29 N -2.60 3.03 -0.41 -3.49 0.40 0.35 0.53 117.98 115.80 1k9r s PHE 29 Ca 0.46 -2.39 -0.29 0.00 -0.60 0.00 0.00 56.93 54.12 1k9r s PHE 29 Cb -0.04 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.27 1k9r s PHE 29 CO 0.28 -0.88 1.38 -1.17 0.70 0.00 0.00 175.22 175.53 1k9r s LEU 30 N 1.16 3.62 -0.51 -0.37 2.96 -0.42 -1.70 118.68 123.42 1k9r s LEU 30 Ca 0.03 0.84 -0.23 0.00 -0.22 0.00 0.00 54.13 54.55 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 -0.10 -1.39 0.86 0.21 -1.32 0.00 0.00 176.35 174.62 1k9r s ASN 31 N 3.71 6.36 0.00 3.68 3.84 0.32 -0.96 114.94 131.89 1k9r s ASN 31 Ca 0.60 -0.31 0.31 0.00 0.21 0.00 0.00 52.86 53.67 1k9r s ASN 31 Cb -0.13 -2.41 1.59 0.00 -0.55 0.00 0.00 41.25 39.75 1k9r s ASN 31 CO 0.32 -1.09 2.06 1.57 -2.79 0.00 0.00 177.10 177.17 1k9r n HIS 32 N 7.09 0.00 -0.05 0.43 -0.00 0.16 -1.05 115.22 121.80 1k9r n HIS 32 Ca 0.01 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.16 1k9r n HIS 32 Cb 0.48 -0.10 -0.01 0.00 -0.12 0.00 0.00 29.99 30.23 1k9r n HIS 32 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1k9r h ILE 33 N 0.36 0.00 -0.43 3.57 2.04 -1.89 -3.38 117.51 117.77 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 0.19 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 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 -4.06 2.77 -3.41 1.72 9.92 -1.26 -4.96 116.55 117.28 1k9r n ASP 34 Ca -0.05 -2.13 -0.17 0.00 -0.53 0.00 0.00 54.79 51.91 1k9r n ASP 34 Cb 0.18 -0.37 0.01 0.00 -0.64 0.00 0.00 41.12 40.29 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 0.73 -1.64 -3.96 -1.24 6.02 -0.22 -5.00 117.38 112.08 1k9r n GLN 35 Ca 0.16 1.26 -0.12 0.00 -0.01 0.00 0.00 57.00 58.29 1k9r n GLN 35 Cb 0.49 -3.73 -0.01 0.00 1.02 0.00 0.00 30.24 28.01 1k9r n GLN 35 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1k9r s THR 36 N -2.70 0.00 -0.09 5.09 2.01 -0.54 -4.95 115.64 114.45 1k9r s THR 36 Ca 0.09 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 1k9r s THR 36 Cb -0.01 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.83 1k9r s THR 36 CO 0.83 0.00 0.11 0.42 -0.69 0.00 0.00 174.62 175.30 1k9r s THR 37 N -2.79 -0.18 0.12 -0.82 -4.23 -1.26 0.12 115.64 106.60 1k9r s THR 37 Ca 0.23 0.25 0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1k9r s THR 37 Cb -0.03 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 1k9r s THR 37 CO 0.16 0.05 -0.10 0.28 -0.54 0.00 0.00 174.62 174.47 1k9r s THR 38 N 2.22 3.33 -0.04 3.99 -1.32 -0.69 -4.83 115.64 118.32 1k9r s THR 38 Ca 0.04 -1.34 0.01 0.00 -1.21 0.00 0.00 61.69 59.19 1k9r s THR 38 Cb -0.13 -2.58 -0.26 0.00 -1.51 0.00 0.00 72.50 68.03 1k9r s THR 38 CO -0.06 0.07 0.69 -0.50 -2.21 0.00 0.00 174.62 172.62 1k9r h TRP 39 N 3.48 0.30 0.00 9.09 4.06 -1.89 1.00 115.95 132.00 1k9r h TRP 39 Ca -0.49 -0.22 -0.16 0.00 2.06 0.00 0.00 58.89 60.09 1k9r h TRP 39 Cb 1.17 -0.01 -0.12 0.00 -1.00 0.00 0.00 29.16 29.20 1k9r h TRP 39 CO 0.61 1.35 -0.10 0.94 -3.56 0.00 0.00 178.44 177.68 1k9r n GLN 40 N -3.33 0.66 -2.69 0.49 7.27 -1.26 -4.67 117.38 113.85 1k9r n GLN 40 Ca -0.20 -1.27 -0.06 0.00 0.07 0.00 0.00 57.00 55.55 1k9r n GLN 40 Cb 1.04 -0.15 0.10 0.00 2.41 0.00 0.00 30.24 33.64 1k9r n GLN 40 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1k9r n ASP 41 N -0.34 -1.70 0.00 1.69 2.03 -1.26 -5.02 116.55 111.95 1k9r n ASP 41 Ca -0.12 -2.58 0.00 0.00 0.52 0.00 0.00 54.79 52.61 1k9r n ASP 41 Cb 0.74 1.44 0.00 0.00 -0.72 0.00 0.00 41.12 42.58 1k9r n ASP 41 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1k9r n PRO 42 N 0.55 0.00 -1.00 -0.67 -0.04 -1.26 -4.44 135.00 128.14 1k9r n PRO 42 Ca -0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1k9r n PRO 42 Cb 0.73 -0.33 0.31 0.00 -0.04 0.00 0.00 33.50 34.17 1k9r n PRO 42 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1k9r n ARG 43 N -0.13 3.82 0.00 0.54 0.63 -1.26 -5.13 116.66 115.13 1k9r n ARG 43 Ca 0.00 -3.02 0.00 0.00 -0.92 0.00 0.00 57.85 53.91 1k9r n ARG 43 Cb 0.00 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 30.70 1k9r n ARG 43 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48