#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 0.58 -2.79 -4.13 0.28 -1.26 -5.02 120.64 108.30 1k9r n GLU 6 Ca 0.00 -3.27 -0.03 0.00 -0.16 0.00 0.00 57.16 53.70 1k9r n GLU 6 Cb 0.00 -1.45 -0.02 0.00 1.43 0.00 0.00 31.44 31.39 1k9r n GLU 6 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1k9r n ILE 7 N 1.98 -9.13 -1.30 3.84 5.41 -1.26 -4.96 119.36 113.94 1k9r n ILE 7 Ca 0.25 1.79 -0.30 0.00 1.00 0.00 0.00 62.75 65.49 1k9r n ILE 7 Cb 0.50 -5.41 0.21 0.00 -0.71 0.00 0.00 39.64 34.23 1k9r n ILE 7 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1k9r s PRO 8 N -0.74 -0.33 -0.45 0.38 0.04 -1.26 -5.04 135.00 127.60 1k9r s PRO 8 Ca -0.14 0.01 0.07 0.00 0.04 0.00 0.00 61.00 60.98 1k9r s PRO 8 Cb 0.01 -1.69 0.24 0.00 0.04 0.00 0.00 34.50 33.09 1k9r s PRO 8 CO 0.55 -3.13 0.54 -3.47 0.04 0.00 0.00 177.00 171.53 1k9r n ASP 9 N -4.36 0.88 0.00 6.66 -0.08 -1.26 -4.97 116.55 113.42 1k9r n ASP 9 Ca 0.11 -2.82 0.00 0.00 -1.51 0.00 0.00 54.79 50.57 1k9r n ASP 9 Cb 0.59 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1k9r n ASP 9 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1k9r n ASP 10 N 1.48 0.00 -4.86 1.67 8.00 -1.26 -4.97 116.55 116.61 1k9r n ASP 10 Ca 0.24 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.38 1k9r n ASP 10 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.54 1k9r n ASP 10 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k9r s VAL 11 N 0.00 5.17 -0.06 2.53 1.01 -1.26 -5.01 120.40 122.78 1k9r s VAL 11 Ca 0.00 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 1k9r s VAL 11 Cb 0.00 -3.62 -0.18 0.00 0.00 0.00 0.00 36.38 32.59 1k9r s VAL 11 CO 0.00 0.46 0.91 1.55 0.00 0.00 0.00 175.10 178.02 1k9r h PRO 12 N 4.32 -0.13 -5.36 2.72 0.13 -2.01 -3.46 132.00 128.20 1k9r h PRO 12 Ca -0.51 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 1k9r h PRO 12 Cb 1.21 0.03 -0.25 0.00 0.13 0.00 0.00 31.00 32.12 1k9r h PRO 12 CO 0.63 0.38 -0.80 -0.51 -0.23 0.00 0.00 178.00 177.47 1k9r s LEU 13 N -8.91 2.15 0.00 1.56 1.02 -1.26 -4.39 118.68 108.85 1k9r s LEU 13 Ca -0.14 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.58 1k9r s LEU 13 Cb 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 46.19 45.57 1k9r s LEU 13 CO 0.53 0.06 0.00 -0.81 0.02 0.00 0.00 176.35 176.15 1k9r n PRO 14 N 2.03 -0.01 -1.43 1.29 -0.04 -1.26 -4.95 135.00 130.62 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 0.55 0.00 0.14 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 -3.23 1.57 -0.20 0.55 0.00 -1.26 -3.57 121.76 115.63 1k9r s ALA 15 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 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 -2.41 0.00 0.41 0.00 0.00 0.00 175.76 173.76 1k9r n GLY 16 N -1.89 0.34 3.58 0.00 0.00 -1.26 -4.90 105.19 101.06 1k9r n GLY 16 Ca 0.06 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.50 2.83 -0.32 1.61 0.52 -1.23 -0.85 118.94 119.99 1k9r s TRP 17 Ca 0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 56.10 56.03 1k9r s TRP 17 Cb 0.00 -1.56 0.11 0.00 -1.15 0.00 0.00 33.47 30.86 1k9r s TRP 17 CO 0.00 0.37 0.14 -1.21 0.02 0.00 0.00 176.95 176.27 1k9r s GLU 18 N -1.56 0.59 -0.01 4.98 8.01 -0.20 -4.97 118.70 125.54 1k9r s GLU 18 Ca 0.18 -1.04 -0.30 0.00 0.01 0.00 0.00 54.97 53.81 1k9r s GLU 18 Cb -0.11 -1.69 -0.06 0.00 -4.31 0.00 0.00 34.13 27.97 1k9r s GLU 18 CO 0.09 -1.04 1.51 0.00 0.01 0.00 0.00 175.26 175.82 1k9r s MET 19 N 1.56 4.24 0.00 1.61 0.23 -1.26 -1.36 119.30 124.31 1k9r s MET 19 Ca 0.11 2.07 0.00 0.00 -1.03 0.00 0.00 55.69 56.85 1k9r s MET 19 Cb -0.18 -3.70 0.00 0.00 -1.53 0.00 0.00 34.83 29.42 1k9r s MET 19 CO -0.23 -0.69 0.00 0.00 -2.03 0.00 0.00 175.02 172.08 1k9r n ALA 20 N 5.96 0.00 -2.39 3.16 0.00 0.12 -4.94 120.51 122.43 1k9r n ALA 20 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1k9r n ALA 20 Cb 0.43 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 0.15 0.00 0.00 0.00 177.50 177.65 1k9r s LYS 21 N 1.88 0.90 0.00 0.00 1.02 -1.26 0.11 119.74 122.38 1k9r s LYS 21 Ca 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.74 1k9r s LYS 21 Cb 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1k9r s LYS 21 CO 0.00 0.07 0.00 -2.37 -0.92 0.00 0.00 175.35 172.13 1k9r n THR 22 N 0.31 0.00 0.00 2.17 5.66 -0.80 -4.75 114.28 116.87 1k9r n THR 22 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1k9r n THR 22 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 -0.25 0.00 0.00 1.09 7.64 -1.26 -3.65 113.62 117.18 1k9r n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k9r n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.31 0.00 -3.01 6.43 2.88 -1.26 -5.02 113.62 115.94 1k9r n SER 24 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1k9r n SER 24 Cb 0.00 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.45 1.42 3.64 0.46 0.00 -1.24 -5.11 105.19 103.91 1k9r n GLY 25 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 1k9r n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k9r s GLN 26 N -0.16 0.58 -0.29 1.61 0.74 -1.26 -5.05 119.66 115.84 1k9r s GLN 26 Ca 0.33 0.92 -0.29 0.00 0.05 0.00 0.00 55.36 56.37 1k9r s GLN 26 Cb 0.16 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.45 1k9r s GLN 26 CO -0.17 -0.11 1.14 1.03 -0.55 0.00 0.00 175.29 176.64 1k9r s ARG 27 N 1.18 4.07 0.45 1.67 0.52 -1.26 -1.90 118.95 123.68 1k9r s ARG 27 Ca -0.07 1.20 0.07 0.00 -0.52 0.00 0.00 55.73 56.41 1k9r s ARG 27 Cb -0.05 -3.76 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 1k9r s ARG 27 CO -0.14 -0.91 0.35 1.52 0.02 0.00 0.00 175.30 176.15 1k9r s TYR 28 N 3.76 2.41 -0.29 -0.53 1.13 0.31 -4.69 117.35 119.45 1k9r s TYR 28 Ca 0.49 -0.60 0.02 0.00 -1.41 0.00 0.00 57.07 55.57 1k9r s TYR 28 Cb -0.14 -2.07 0.08 0.00 -1.10 0.00 0.00 41.96 38.72 1k9r s TYR 28 CO 0.16 -0.16 -0.01 -0.06 -2.51 0.00 0.00 175.55 172.96 1k9r s PHE 29 N -2.57 3.06 -0.38 -3.49 0.40 0.79 0.16 117.98 115.93 1k9r s PHE 29 Ca 0.44 -2.37 -0.29 0.00 -0.60 0.00 0.00 56.93 54.11 1k9r s PHE 29 Cb -0.02 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1k9r s PHE 29 CO 0.26 -0.88 1.27 -1.17 0.70 0.00 0.00 175.22 175.40 1k9r s LEU 30 N 1.16 3.73 -0.46 -0.37 2.96 -0.47 -1.50 118.68 123.74 1k9r s LEU 30 Ca 0.01 0.89 -0.22 0.00 -0.22 0.00 0.00 54.13 54.59 1k9r s LEU 30 Cb -0.19 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.99 1k9r s LEU 30 CO -0.09 -1.22 0.73 0.21 -1.32 0.00 0.00 176.35 174.66 1k9r s ASN 31 N 2.96 6.36 0.00 3.68 3.84 0.31 -1.04 114.94 131.05 1k9r s ASN 31 Ca 0.55 -0.27 0.29 0.00 0.21 0.00 0.00 52.86 53.63 1k9r s ASN 31 Cb -0.13 -2.36 1.32 0.00 -0.55 0.00 0.00 41.25 39.54 1k9r s ASN 31 CO 0.27 -0.88 1.93 1.41 -2.79 0.00 0.00 177.10 177.05 1k9r n HIS 32 N 6.54 0.00 -0.05 0.43 8.25 -0.03 -0.83 115.22 129.53 1k9r n HIS 32 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1k9r n HIS 32 Cb 0.48 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 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 0.25 0.00 -0.26 1.59 2.04 -1.90 -3.37 117.51 115.86 1k9r h ILE 33 Ca 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1k9r h ILE 33 Cb 0.34 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1k9r h ILE 33 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.48 1k9r n ASP 34 N -4.23 1.70 -3.30 1.72 -0.08 -1.26 -4.96 116.55 106.14 1k9r n ASP 34 Ca -0.04 -1.86 -0.17 0.00 -1.51 0.00 0.00 54.79 51.21 1k9r n ASP 34 Cb 0.15 -0.17 0.01 0.00 2.34 0.00 0.00 41.12 43.45 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k9r n GLN 35 N 0.39 -1.78 -3.85 -0.67 6.02 -0.01 -5.01 117.38 112.46 1k9r n GLN 35 Ca 0.14 1.45 -0.08 0.00 -0.01 0.00 0.00 57.00 58.50 1k9r n GLN 35 Cb 0.30 -4.01 -0.01 0.00 1.02 0.00 0.00 30.24 27.55 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 -2.55 0.00 -0.11 5.09 -4.23 -0.56 -4.96 115.64 108.33 1k9r s THR 36 Ca 0.15 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1k9r s THR 36 Cb -0.03 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.54 1k9r s THR 36 CO 0.82 0.00 -0.05 0.42 -0.54 0.00 0.00 174.62 175.27 1k9r s THR 37 N -3.39 0.84 -0.11 3.99 -4.23 -1.26 0.11 115.64 111.60 1k9r s THR 37 Ca 0.13 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.46 1k9r s THR 37 Cb -0.06 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1k9r s THR 37 CO 0.09 0.30 -0.23 0.28 -0.54 0.00 0.00 174.62 174.51 1k9r s THR 38 N 1.78 2.09 0.12 3.99 -1.32 -0.56 -4.84 115.64 116.90 1k9r s THR 38 Ca 0.04 -1.00 -0.19 0.00 -1.21 0.00 0.00 61.69 59.34 1k9r s THR 38 Cb -0.13 -1.80 -0.05 0.00 -1.51 0.00 0.00 72.50 69.01 1k9r s THR 38 CO -0.07 0.56 1.75 -0.50 -2.21 0.00 0.00 174.62 174.14 1k9r h TRP 39 N 6.85 0.35 -3.14 9.09 4.06 -1.87 0.22 115.95 131.51 1k9r h TRP 39 Ca -0.22 -0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.14 1k9r h TRP 39 Cb 1.23 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 29.24 1k9r h TRP 39 CO 0.47 0.27 -0.32 -0.65 -3.56 0.00 0.00 178.44 174.65 1k9r s GLN 40 N -5.98 3.61 0.97 0.49 1.11 -1.26 -4.41 119.66 114.19 1k9r s GLN 40 Ca -0.13 -0.10 -0.13 0.00 0.01 0.00 0.00 55.36 55.00 1k9r s GLN 40 Cb 0.09 -2.87 0.05 0.00 -1.01 0.00 0.00 33.01 29.27 1k9r s GLN 40 CO 0.71 0.49 0.40 -0.40 0.01 0.00 0.00 175.29 176.49 1k9r n ASP 41 N 0.16 -2.00 0.23 5.90 5.75 -1.26 -4.86 116.55 120.47 1k9r n ASP 41 Ca -0.03 0.27 0.12 0.00 -0.01 0.00 0.00 54.79 55.14 1k9r n ASP 41 Cb 0.52 -1.19 0.47 0.00 -1.03 0.00 0.00 41.12 39.88 1k9r n ASP 41 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1k9r h PRO 42 N -1.66 0.00 -7.39 0.11 0.13 -1.94 -3.44 132.00 117.80 1k9r h PRO 42 Ca -0.45 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.22 1k9r h PRO 42 Cb 1.29 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.53 1k9r h PRO 42 CO 0.35 0.16 0.24 0.50 -0.23 0.00 0.00 178.00 179.02 1k9r s ARG 43 N -3.57 1.43 0.00 0.86 3.52 -1.26 -5.18 118.95 114.76 1k9r s ARG 43 Ca 0.02 -0.70 0.21 0.00 -0.13 0.00 0.00 55.73 55.13 1k9r s ARG 43 Cb 0.09 -2.13 0.17 0.00 -1.56 0.00 0.00 34.95 31.52 1k9r s ARG 43 CO 0.62 -1.73 1.18 1.17 -0.81 0.00 0.00 175.30 175.73