#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 1.54 -4.65 -1.08 4.07 -1.26 -5.01 120.64 114.25 1k9r n GLU 6 Ca 0.00 0.02 -0.32 0.00 -0.06 0.00 0.00 57.16 56.80 1k9r n GLU 6 Cb 0.00 -1.18 -0.12 0.00 -0.06 0.00 0.00 31.44 30.08 1k9r n GLU 6 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1k9r s ILE 7 N -2.17 3.30 0.00 6.31 1.10 -1.26 -4.93 121.20 123.54 1k9r s ILE 7 Ca -0.08 -0.82 0.00 0.00 -0.51 0.00 0.00 60.65 59.24 1k9r s ILE 7 Cb 0.03 -2.38 0.00 0.00 0.15 0.00 0.00 42.46 40.26 1k9r s ILE 7 CO 0.25 0.46 0.00 -0.81 -2.11 0.00 0.00 174.94 172.73 1k9r n PRO 8 N 1.84 0.00 -1.05 3.50 -0.04 -1.26 -4.56 135.00 133.43 1k9r n PRO 8 Ca -0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.07 1k9r n PRO 8 Cb 0.52 -0.09 0.11 0.00 -0.04 0.00 0.00 33.50 34.00 1k9r n PRO 8 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1k9r n ASP 9 N -0.11 4.99 -3.50 3.54 5.75 -1.26 -4.90 116.55 121.07 1k9r n ASP 9 Ca 0.00 -3.37 -0.21 0.00 -0.01 0.00 0.00 54.79 51.20 1k9r n ASP 9 Cb 0.00 -0.86 0.03 0.00 -1.03 0.00 0.00 41.12 39.26 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 -0.67 -6.01 -4.09 -1.12 2.03 -1.26 -5.00 116.55 100.44 1k9r n ASP 10 Ca 0.49 -0.75 -0.21 0.00 0.52 0.00 0.00 54.79 54.83 1k9r n ASP 10 Cb 1.13 -3.79 -0.15 0.00 -0.72 0.00 0.00 41.12 37.59 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 -3.27 1.00 0.00 5.18 0.11 -1.26 -5.10 120.40 117.06 1k9r s VAL 11 Ca 0.29 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1k9r s VAL 11 Cb -0.09 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1k9r s VAL 11 CO 0.83 0.24 0.04 -0.81 -3.33 0.00 0.00 175.10 172.07 1k9r n PRO 12 N 2.65 0.00 -3.71 1.54 -0.04 -1.26 -4.60 135.00 129.58 1k9r n PRO 12 Ca -0.14 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.95 1k9r n PRO 12 Cb 0.56 -0.29 -0.12 0.00 -0.04 0.00 0.00 33.50 33.60 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 -0.27 3.61 0.00 1.53 1.43 -1.26 -3.93 118.68 119.78 1k9r s LEU 13 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1k9r s LEU 13 Cb 0.00 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1k9r s LEU 13 CO 0.00 -0.05 0.00 -0.81 0.23 0.00 0.00 176.35 175.72 1k9r n PRO 14 N 4.96 0.58 -1.41 1.29 -0.04 -1.26 -4.94 135.00 134.19 1k9r n PRO 14 Ca -0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 1k9r n PRO 14 Cb 0.51 0.00 0.17 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 -3.22 1.41 -0.51 0.55 0.00 -1.26 -3.61 121.76 115.13 1k9r s ALA 15 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1k9r s ALA 15 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1k9r s ALA 15 CO 0.00 -2.65 0.00 0.41 0.00 0.00 0.00 175.76 173.52 1k9r n GLY 16 N -1.86 0.57 3.68 0.00 0.00 -1.26 -4.84 105.19 101.49 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 -1.66 3.05 -0.34 1.61 0.52 -1.24 -0.09 118.94 120.79 1k9r s TRP 17 Ca 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 56.10 56.16 1k9r s TRP 17 Cb 0.00 -1.63 0.12 0.00 -1.15 0.00 0.00 33.47 30.80 1k9r s TRP 17 CO 0.00 0.46 0.16 -1.21 0.02 0.00 0.00 176.95 176.39 1k9r s GLU 18 N -1.76 0.64 0.03 4.98 8.01 0.01 -4.94 118.70 125.66 1k9r s GLU 18 Ca 0.21 -1.18 -0.30 0.00 0.01 0.00 0.00 54.97 53.71 1k9r s GLU 18 Cb -0.12 -1.65 -0.07 0.00 -4.31 0.00 0.00 34.13 27.99 1k9r s GLU 18 CO 0.12 -1.09 1.53 0.00 0.01 0.00 0.00 175.26 175.84 1k9r s MET 19 N 1.35 4.23 0.00 1.61 0.23 -1.26 -1.23 119.30 124.24 1k9r s MET 19 Ca 0.13 2.15 0.00 0.00 -1.03 0.00 0.00 55.69 56.94 1k9r s MET 19 Cb -0.20 -3.62 0.00 0.00 -1.53 0.00 0.00 34.83 29.48 1k9r s MET 19 CO -0.16 -0.67 0.00 0.00 -2.03 0.00 0.00 175.02 172.16 1k9r n ALA 20 N 5.63 0.00 -2.35 3.16 0.00 0.11 -4.93 120.51 122.13 1k9r n ALA 20 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 1k9r n ALA 20 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 1.67 1.35 0.47 0.00 1.02 -1.26 0.14 119.74 123.13 1k9r s LYS 21 Ca 0.00 -1.61 0.02 0.00 0.02 0.00 0.00 55.97 54.41 1k9r s LYS 21 Cb 0.00 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.19 1k9r s LYS 21 CO 0.00 0.17 0.09 -0.08 -0.92 0.00 0.00 175.35 174.60 1k9r s THR 22 N -2.99 0.71 -0.92 2.17 -1.32 -0.96 -4.70 115.64 107.62 1k9r s THR 22 Ca 0.23 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.47 1k9r s THR 22 Cb -0.00 -2.16 -0.07 0.00 -1.51 0.00 0.00 72.50 68.76 1k9r s THR 22 CO 0.07 0.00 2.00 -0.44 -2.21 0.00 0.00 174.62 174.05 1k9r s SER 23 N -3.75 4.95 0.00 8.08 0.01 -1.26 -3.27 113.70 118.46 1k9r s SER 23 Ca 0.13 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1k9r s SER 23 Cb 0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1k9r s SER 23 CO 0.09 -2.95 0.00 -1.20 0.41 0.00 0.00 173.24 169.58 1k9r n SER 24 N 14.69 0.00 0.00 2.44 7.64 -1.26 -4.98 113.62 132.14 1k9r n SER 24 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1k9r n SER 24 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.81 3.10 0.23 0.00 -1.20 -5.12 105.19 104.01 1k9r n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.34 0.65 -0.31 1.61 -1.52 -1.26 -5.04 119.66 113.45 1k9r s GLN 26 Ca 0.00 -1.07 -0.27 0.00 -1.95 0.00 0.00 55.36 52.07 1k9r s GLN 26 Cb 0.00 -0.13 0.01 0.00 -0.22 0.00 0.00 33.01 32.67 1k9r s GLN 26 CO 0.00 -0.01 0.97 1.03 -0.25 0.00 0.00 175.29 177.03 1k9r s ARG 27 N -2.92 4.04 0.50 2.91 0.52 -1.26 -2.27 118.95 120.48 1k9r s ARG 27 Ca 0.02 0.92 0.08 0.00 -0.52 0.00 0.00 55.73 56.22 1k9r s ARG 27 Cb -0.01 -3.73 0.04 0.00 0.52 0.00 0.00 34.95 31.77 1k9r s ARG 27 CO -0.04 -0.81 0.58 1.52 0.02 0.00 0.00 175.30 176.57 1k9r s TYR 28 N 3.38 2.03 -0.31 -0.53 1.13 0.38 -4.71 117.35 118.73 1k9r s TYR 28 Ca 0.41 -0.63 0.02 0.00 -1.41 0.00 0.00 57.07 55.46 1k9r s TYR 28 Cb -0.13 -2.18 0.09 0.00 -1.10 0.00 0.00 41.96 38.64 1k9r s TYR 28 CO 0.14 -0.64 0.04 -0.06 -2.51 0.00 0.00 175.55 172.51 1k9r s PHE 29 N -2.58 3.01 -0.41 -3.49 0.40 0.28 0.09 117.98 115.28 1k9r s PHE 29 Ca 0.52 -2.46 -0.29 0.00 -0.60 0.00 0.00 56.93 54.11 1k9r s PHE 29 Cb -0.05 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.13 1k9r s PHE 29 CO 0.32 -0.90 1.49 -1.17 0.70 0.00 0.00 175.22 175.66 1k9r s LEU 30 N 1.17 3.55 -0.46 -0.37 2.96 -0.36 -1.59 118.68 123.57 1k9r s LEU 30 Ca 0.07 0.85 -0.24 0.00 -0.22 0.00 0.00 54.13 54.59 1k9r s LEU 30 Cb -0.19 -3.48 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1k9r s LEU 30 CO -0.12 -1.52 0.84 0.21 -1.32 0.00 0.00 176.35 174.44 1k9r s ASN 31 N 4.43 6.44 0.00 3.68 3.84 0.28 -0.81 114.94 132.80 1k9r s ASN 31 Ca 0.64 -0.04 0.29 0.00 0.21 0.00 0.00 52.86 53.96 1k9r s ASN 31 Cb -0.15 -2.41 1.35 0.00 -0.55 0.00 0.00 41.25 39.49 1k9r s ASN 31 CO 0.32 -0.97 1.94 1.41 -2.79 0.00 0.00 177.10 177.00 1k9r n HIS 32 N 6.89 0.00 -0.04 0.43 8.25 0.87 -1.12 115.22 130.50 1k9r n HIS 32 Ca 0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1k9r n HIS 32 Cb 0.48 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 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 0.40 0.00 -0.23 1.59 2.04 -1.88 -3.37 117.51 116.05 1k9r h ILE 33 Ca 0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1k9r h ILE 33 Cb 0.31 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 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 -3.74 1.40 -3.27 1.72 8.00 -1.26 -4.96 116.55 114.45 1k9r n ASP 34 Ca -0.04 -1.89 -0.19 0.00 0.71 0.00 0.00 54.79 53.39 1k9r n ASP 34 Cb 0.14 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.23 -1.88 -3.84 -1.24 6.02 -0.28 -5.01 117.38 111.38 1k9r n GLN 35 Ca 0.11 1.53 -0.09 0.00 -0.01 0.00 0.00 57.00 58.54 1k9r n GLN 35 Cb 0.24 -3.98 0.01 0.00 1.02 0.00 0.00 30.24 27.53 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 -2.43 0.00 -0.15 5.09 2.01 -0.54 -4.95 115.64 114.67 1k9r s THR 36 Ca 0.19 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 1k9r s THR 36 Cb -0.03 -2.77 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1k9r s THR 36 CO 0.82 0.00 0.05 0.42 -0.69 0.00 0.00 174.62 175.22 1k9r s THR 37 N -2.54 0.24 -0.07 -0.82 -4.23 -1.26 0.99 115.64 107.95 1k9r s THR 37 Ca 0.17 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1k9r s THR 37 Cb -0.05 -0.71 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 1k9r s THR 37 CO 0.12 -0.11 -0.15 0.28 -0.54 0.00 0.00 174.62 174.22 1k9r s THR 38 N 2.00 2.97 0.25 3.99 -1.32 -0.62 -4.81 115.64 118.09 1k9r s THR 38 Ca 0.02 -0.74 -0.02 0.00 -1.21 0.00 0.00 61.69 59.74 1k9r s THR 38 Cb -0.15 -2.18 0.08 0.00 -1.51 0.00 0.00 72.50 68.74 1k9r s THR 38 CO -0.07 0.57 1.72 -0.50 -2.21 0.00 0.00 174.62 174.13 1k9r h TRP 39 N 5.77 0.79 0.00 9.09 4.06 -1.88 0.81 115.95 134.59 1k9r h TRP 39 Ca -0.40 -0.14 -0.07 0.00 2.06 0.00 0.00 58.89 60.34 1k9r h TRP 39 Cb 1.17 -0.21 -0.07 0.00 -1.00 0.00 0.00 29.16 29.05 1k9r h TRP 39 CO 0.49 0.80 -0.16 0.94 -3.56 0.00 0.00 178.44 176.95 1k9r n GLN 40 N -4.17 0.00 -2.65 0.49 7.27 -1.26 -4.48 117.38 112.58 1k9r n GLN 40 Ca 0.01 -0.56 -0.22 0.00 0.07 0.00 0.00 57.00 56.30 1k9r n GLN 40 Cb 0.36 0.50 -0.00 0.00 2.41 0.00 0.00 30.24 33.50 1k9r n GLN 40 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1k9r n ASP 41 N 0.00 3.60 0.02 1.69 8.00 -1.26 -4.82 116.55 123.77 1k9r n ASP 41 Ca -0.16 -3.42 -0.12 0.00 0.71 0.00 0.00 54.79 51.80 1k9r n ASP 41 Cb 0.50 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 1k9r n ASP 41 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1k9r h PRO 42 N 2.78 -0.11 0.00 -0.24 0.13 -1.88 -3.44 132.00 129.23 1k9r h PRO 42 Ca 0.16 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 1k9r h PRO 42 Cb 0.92 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.99 1k9r h PRO 42 CO 0.73 0.41 -0.17 -2.13 -0.23 0.00 0.00 178.00 176.61 1k9r n ARG 43 N -4.87 0.00 0.00 0.86 0.63 -1.25 -5.03 116.66 107.00 1k9r n ARG 43 Ca -0.08 -0.60 0.00 0.00 -0.92 0.00 0.00 57.85 56.24 1k9r n ARG 43 Cb 0.28 0.44 0.00 0.00 0.45 0.00 0.00 32.46 33.63 1k9r n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29