#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 3.36 -2.81 3.97 4.07 -1.26 -4.97 120.64 122.99 1k9r n GLU 6 Ca 0.00 -4.82 -0.02 0.00 -0.06 0.00 0.00 57.16 52.26 1k9r n GLU 6 Cb 0.00 -2.27 -0.02 0.00 -0.06 0.00 0.00 31.44 29.09 1k9r n GLU 6 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1k9r n ILE 7 N -0.05 -8.85 0.21 6.31 5.41 -1.26 -4.84 119.36 116.29 1k9r n ILE 7 Ca 0.32 1.67 0.09 0.00 1.00 0.00 0.00 62.75 65.84 1k9r n ILE 7 Cb 0.38 -5.38 0.40 0.00 -0.71 0.00 0.00 39.64 34.33 1k9r n ILE 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k9r h PRO 8 N 3.94 0.00 -6.22 0.38 0.13 -2.04 -3.48 132.00 124.70 1k9r h PRO 8 Ca -0.22 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.61 1k9r h PRO 8 Cb 0.65 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.79 1k9r h PRO 8 CO 0.03 0.25 -0.97 -3.47 -0.23 0.00 0.00 178.00 173.61 1k9r n ASP 9 N -3.37 -6.11 -0.04 1.44 -0.08 -1.26 -4.93 116.55 102.20 1k9r n ASP 9 Ca 0.00 -0.10 -0.22 0.00 -1.51 0.00 0.00 54.79 52.96 1k9r n ASP 9 Cb 0.47 -2.72 -0.13 0.00 2.34 0.00 0.00 41.12 41.07 1k9r n ASP 9 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1k9r n ASP 10 N -0.63 2.02 -4.80 1.67 2.03 -1.26 -4.89 116.55 110.68 1k9r n ASP 10 Ca -0.07 0.30 -0.36 0.00 0.52 0.00 0.00 54.79 55.18 1k9r n ASP 10 Cb 0.63 -0.91 -0.06 0.00 -0.72 0.00 0.00 41.12 40.05 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 -2.48 4.42 0.00 5.18 1.01 -1.26 -5.07 120.40 122.20 1k9r s VAL 11 Ca -0.25 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1k9r s VAL 11 Cb 0.06 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1k9r s VAL 11 CO 0.70 0.18 0.00 -0.81 0.00 0.00 0.00 175.10 175.17 1k9r n PRO 12 N 0.66 1.15 -1.76 2.72 -0.04 -1.26 -4.91 135.00 131.55 1k9r n PRO 12 Ca -0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 1k9r n PRO 12 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1k9r n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k9r n LEU 13 N 0.00 4.66 0.00 1.53 4.32 -1.26 -5.00 117.00 121.25 1k9r n LEU 13 Ca 0.00 1.21 0.00 0.00 -0.02 0.00 0.00 56.01 57.20 1k9r n LEU 13 Cb 0.00 -1.60 0.00 0.00 -1.62 0.00 0.00 43.42 40.20 1k9r n LEU 13 CO 0.00 0.03 0.00 -0.81 -1.22 0.00 0.00 177.39 175.39 1k9r n PRO 14 N 0.37 0.50 -1.52 3.23 -0.04 -1.26 -4.96 135.00 131.32 1k9r n PRO 14 Ca 0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 1k9r n PRO 14 Cb 0.39 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 34.01 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 1.65 -0.73 0.55 0.00 -1.26 -3.66 121.76 114.99 1k9r s ALA 15 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1k9r s ALA 15 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1k9r s ALA 15 CO 0.00 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 173.64 1k9r n GLY 16 N -2.25 0.76 3.55 0.00 0.00 -1.26 -4.74 105.19 101.25 1k9r n GLY 16 Ca 0.09 -0.11 -0.31 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 -1.82 2.75 -0.36 1.61 0.52 -1.24 0.38 118.94 120.78 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 -1.50 0.12 0.00 -1.15 0.00 0.00 33.47 30.94 1k9r s TRP 17 CO 0.00 0.36 0.18 -1.21 0.02 0.00 0.00 176.95 176.31 1k9r s GLU 18 N -1.74 0.71 0.00 4.98 8.01 -0.17 -4.94 118.70 125.54 1k9r s GLU 18 Ca 0.18 -1.32 -0.30 0.00 0.01 0.00 0.00 54.97 53.54 1k9r s GLU 18 Cb -0.11 -1.67 -0.06 0.00 -4.31 0.00 0.00 34.13 27.97 1k9r s GLU 18 CO 0.09 -1.12 1.56 0.00 0.01 0.00 0.00 175.26 175.80 1k9r s MET 19 N 1.17 4.22 0.00 1.61 0.23 -1.26 -1.23 119.30 124.04 1k9r s MET 19 Ca 0.15 2.14 0.00 0.00 -1.03 0.00 0.00 55.69 56.95 1k9r s MET 19 Cb -0.21 -3.71 0.00 0.00 -1.53 0.00 0.00 34.83 29.38 1k9r s MET 19 CO -0.11 -0.71 0.00 0.00 -2.03 0.00 0.00 175.02 172.17 1k9r n ALA 20 N 6.00 0.00 -2.35 3.16 0.00 0.85 -4.93 120.51 123.24 1k9r n ALA 20 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.41 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 -1.59 0.00 0.00 0.00 177.50 175.91 1k9r s LYS 21 N 1.78 1.34 0.47 0.00 -2.85 -1.26 0.14 119.74 119.36 1k9r s LYS 21 Ca 0.00 -1.60 0.02 0.00 -1.00 0.00 0.00 55.97 53.39 1k9r s LYS 21 Cb 0.00 -1.12 -0.01 0.00 -2.06 0.00 0.00 37.83 34.64 1k9r s LYS 21 CO 0.00 0.18 0.08 -0.08 0.10 0.00 0.00 175.35 175.63 1k9r s THR 22 N -2.97 0.74 -0.91 3.79 -1.32 -0.95 -4.70 115.64 109.30 1k9r s THR 22 Ca 0.23 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.46 1k9r s THR 22 Cb -0.01 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.75 1k9r s THR 22 CO 0.07 0.00 1.97 -0.44 -2.21 0.00 0.00 174.62 174.01 1k9r s SER 23 N -3.75 5.08 0.00 8.08 0.01 -1.26 -3.36 113.70 118.50 1k9r s SER 23 Ca 0.13 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.69 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 0.09 -2.82 0.00 -1.20 0.41 0.00 0.00 173.24 169.72 1k9r n SER 24 N 14.21 0.00 0.00 2.44 7.64 -1.26 -4.99 113.62 131.67 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 0.47 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 3.07 0.23 0.00 -1.21 -5.12 105.19 103.98 1k9r n GLY 25 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.28 0.54 -0.25 1.61 -0.21 -1.26 -5.05 119.66 114.76 1k9r s GLN 26 Ca 0.00 -1.05 -0.25 0.00 0.02 0.00 0.00 55.36 54.08 1k9r s GLN 26 Cb 0.00 0.13 -0.00 0.00 1.00 0.00 0.00 33.01 34.14 1k9r s GLN 26 CO 0.00 -0.08 0.87 1.03 -2.12 0.00 0.00 175.29 174.99 1k9r s ARG 27 N -3.18 4.16 0.54 2.91 3.00 -1.26 -2.24 118.95 122.88 1k9r s ARG 27 Ca 0.01 0.96 0.08 0.00 0.00 0.00 0.00 55.73 56.78 1k9r s ARG 27 Cb 0.02 -3.66 0.06 0.00 0.00 0.00 0.00 34.95 31.37 1k9r s ARG 27 CO -0.07 -0.58 0.62 1.52 0.00 0.00 0.00 175.30 176.79 1k9r s TYR 28 N 2.96 1.67 -0.32 -0.53 1.13 0.37 -4.74 117.35 117.89 1k9r s TYR 28 Ca 0.37 -0.72 0.02 0.00 -1.41 0.00 0.00 57.07 55.32 1k9r s TYR 28 Cb -0.15 -2.12 0.10 0.00 -1.10 0.00 0.00 41.96 38.69 1k9r s TYR 28 CO 0.08 -0.81 0.06 -0.06 -2.51 0.00 0.00 175.55 172.32 1k9r s PHE 29 N -2.67 2.93 -0.49 -3.49 0.40 0.21 -0.10 117.98 114.77 1k9r s PHE 29 Ca 0.51 -2.47 -0.27 0.00 -0.60 0.00 0.00 56.93 54.10 1k9r s PHE 29 Cb -0.05 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 1k9r s PHE 29 CO 0.32 -0.91 1.80 -1.17 0.70 0.00 0.00 175.22 175.95 1k9r s LEU 30 N 1.19 3.40 -0.38 -0.37 2.96 -0.37 -1.74 118.68 123.38 1k9r s LEU 30 Ca 0.10 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.46 1k9r s LEU 30 Cb -0.18 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.54 1k9r s LEU 30 CO -0.14 -2.05 1.15 0.21 -1.32 0.00 0.00 176.35 174.20 1k9r s ASN 31 N 6.99 6.75 -0.00 3.68 3.84 0.42 -1.00 114.94 135.62 1k9r s ASN 31 Ca 0.71 0.86 0.14 0.00 0.21 0.00 0.00 52.86 54.79 1k9r s ASN 31 Cb -0.16 -2.54 -0.19 0.00 -0.55 0.00 0.00 41.25 37.80 1k9r s ASN 31 CO 0.27 -1.07 0.72 1.57 -2.79 0.00 0.00 177.10 175.80 1k9r n HIS 32 N 7.44 0.98 -0.34 0.43 -0.00 0.16 -0.93 115.22 122.96 1k9r n HIS 32 Ca 0.13 0.34 0.09 0.00 0.46 0.00 0.00 57.72 58.74 1k9r n HIS 32 Cb 0.48 -1.14 0.26 0.00 -0.12 0.00 0.00 29.99 29.47 1k9r n HIS 32 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 1k9r h ILE 33 N 0.00 0.78 -0.33 3.57 3.07 -1.80 -3.11 117.51 119.69 1k9r h ILE 33 Ca -0.24 -0.27 -0.24 0.00 1.55 0.00 0.00 64.86 65.66 1k9r h ILE 33 Cb 1.84 -0.08 -0.39 0.00 -0.27 0.00 0.00 36.82 37.92 1k9r h ILE 33 CO 0.06 0.14 -1.06 -0.67 -1.05 0.00 0.00 178.15 175.58 1k9r n ASP 34 N -4.76 1.69 -2.47 2.16 -0.08 -1.26 -5.07 116.55 106.77 1k9r n ASP 34 Ca 0.20 -2.20 0.00 0.00 -1.51 0.00 0.00 54.79 51.28 1k9r n ASP 34 Cb 0.46 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.50 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 -0.35 -0.35 -3.73 -0.67 10.64 -0.69 -5.00 117.38 117.22 1k9r n GLN 35 Ca 0.10 0.65 -0.04 0.00 -1.83 0.00 0.00 57.00 55.87 1k9r n GLN 35 Cb 0.90 -0.70 -0.01 0.00 -0.86 0.00 0.00 30.24 29.56 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1k9r s THR 36 N -0.59 0.00 -0.12 -0.39 -4.23 -0.11 -4.96 115.64 105.25 1k9r s THR 36 Ca 0.00 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1k9r s THR 36 Cb 0.00 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.98 1k9r s THR 36 CO 0.00 0.00 -0.01 0.42 -0.54 0.00 0.00 174.62 174.49 1k9r s THR 37 N -3.30 0.63 -0.07 3.99 -4.23 -1.26 0.16 115.64 111.55 1k9r s THR 37 Ca 0.11 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1k9r s THR 37 Cb -0.02 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.99 1k9r s THR 37 CO 0.01 0.18 -0.23 0.28 -0.54 0.00 0.00 174.62 174.31 1k9r s THR 38 N 1.85 2.18 0.40 3.99 -1.32 -0.71 -4.84 115.64 117.19 1k9r s THR 38 Ca 0.03 -1.01 0.09 0.00 -1.21 0.00 0.00 61.69 59.59 1k9r s THR 38 Cb -0.14 -1.81 0.20 0.00 -1.51 0.00 0.00 72.50 69.24 1k9r s THR 38 CO -0.07 0.57 1.97 -0.50 -2.21 0.00 0.00 174.62 174.38 1k9r h TRP 39 N 6.22 0.32 -1.75 9.09 4.06 -1.88 0.61 115.95 132.63 1k9r h TRP 39 Ca -0.29 -0.02 0.13 0.00 2.06 0.00 0.00 58.89 60.77 1k9r h TRP 39 Cb 1.19 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 1k9r h TRP 39 CO 0.45 0.34 0.36 0.94 -3.56 0.00 0.00 178.44 176.97 1k9r n GLN 40 N -4.35 0.16 -3.72 0.49 0.00 -1.26 -4.48 117.38 104.22 1k9r n GLN 40 Ca 0.00 -0.46 -0.23 0.00 -0.00 0.00 0.00 57.00 56.31 1k9r n GLN 40 Cb 0.20 0.70 0.03 0.00 0.00 0.00 0.00 30.24 31.16 1k9r n GLN 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1k9r n ASP 41 N -0.69 -1.63 -3.32 1.69 2.03 -1.26 -4.96 116.55 108.41 1k9r n ASP 41 Ca 0.01 -0.86 -0.22 0.00 0.52 0.00 0.00 54.79 54.24 1k9r n ASP 41 Cb 0.26 -3.90 0.17 0.00 -0.72 0.00 0.00 41.12 36.94 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 -4.24 -1.97 -2.29 -0.67 -0.04 -1.26 -3.96 135.00 120.58 1k9r n PRO 42 Ca -0.27 -1.37 -0.14 0.00 -0.04 0.00 0.00 63.50 61.68 1k9r n PRO 42 Cb 0.67 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.99 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 -3.62 -2.02 0.00 0.54 0.63 -1.26 -5.08 116.66 105.85 1k9r n ARG 43 Ca 0.12 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 1k9r n ARG 43 Cb 0.43 -5.25 0.00 0.00 0.45 0.00 0.00 32.46 28.09 1k9r n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29