#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 3.12 -1.09 -1.08 -0.58 -1.26 -5.05 120.64 114.70 1k9r n GLU 6 Ca 0.00 -4.03 -0.35 0.00 -0.42 0.00 0.00 57.16 52.36 1k9r n GLU 6 Cb 0.00 -2.26 0.10 0.00 -0.57 0.00 0.00 31.44 28.70 1k9r n GLU 6 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1k9r n ILE 7 N -0.50 1.29 -0.45 -3.67 -6.64 -1.26 -4.99 119.36 103.15 1k9r n ILE 7 Ca 0.46 -0.30 0.00 0.00 -1.77 0.00 0.00 62.75 61.14 1k9r n ILE 7 Cb 0.44 -0.79 0.00 0.00 -1.44 0.00 0.00 39.64 37.86 1k9r n ILE 7 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1k9r n PRO 8 N -1.48 -0.29 -3.24 6.28 -0.04 -1.26 -5.00 135.00 129.97 1k9r n PRO 8 Ca 0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 1k9r n PRO 8 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.18 4.05 0.00 3.54 -0.08 -1.26 -4.96 116.55 115.66 1k9r n ASP 9 Ca 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 54.79 49.74 1k9r n ASP 9 Cb 0.00 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 42.83 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 0.45 0.00 -3.84 1.67 2.03 -1.26 -4.78 116.55 110.81 1k9r n ASP 10 Ca 0.30 0.71 -0.15 0.00 0.52 0.00 0.00 54.79 56.17 1k9r n ASP 10 Cb 0.40 -0.21 -0.15 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.84 0.12 0.00 5.18 0.11 -1.26 -5.10 120.40 117.60 1k9r s VAL 11 Ca 0.00 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1k9r s VAL 11 Cb 0.00 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 1k9r s VAL 11 CO 0.00 0.09 0.06 -0.81 -3.33 0.00 0.00 175.10 171.11 1k9r n PRO 12 N 3.71 0.00 -3.05 1.54 -0.04 -1.26 -4.92 135.00 130.98 1k9r n PRO 12 Ca -0.21 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 62.99 1k9r n PRO 12 Cb 0.54 -0.34 -0.01 0.00 -0.04 0.00 0.00 33.50 33.65 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 -0.35 3.84 0.00 1.53 1.02 -1.26 -4.61 118.68 118.85 1k9r s LEU 13 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 54.13 54.80 1k9r s LEU 13 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.66 1k9r s LEU 13 CO 0.00 -0.43 0.00 -0.81 0.02 0.00 0.00 176.35 175.13 1k9r n PRO 14 N -2.00 0.13 -1.45 1.29 -0.04 -1.26 -4.95 135.00 126.71 1k9r n PRO 14 Ca -0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1k9r n PRO 14 Cb 0.56 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.17 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 1.55 -0.54 0.55 0.00 -1.26 -3.60 121.76 115.24 1k9r s ALA 15 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1k9r s ALA 15 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1k9r s ALA 15 CO 0.00 -2.48 0.00 0.41 0.00 0.00 0.00 175.76 173.69 1k9r n GLY 16 N -1.98 0.60 3.51 0.00 0.00 -1.26 -4.90 105.19 101.16 1k9r n GLY 16 Ca 0.07 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.68 2.70 -0.34 1.61 0.52 -1.24 -0.76 118.94 119.75 1k9r s TRP 17 Ca 0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 56.10 55.95 1k9r s TRP 17 Cb 0.00 -1.55 0.11 0.00 -1.15 0.00 0.00 33.47 30.88 1k9r s TRP 17 CO 0.00 0.28 0.14 -1.21 0.02 0.00 0.00 176.95 176.18 1k9r s GLU 18 N -1.28 0.76 0.03 4.98 8.01 -0.22 -4.97 118.70 126.01 1k9r s GLU 18 Ca 0.15 -1.24 -0.30 0.00 0.01 0.00 0.00 54.97 53.59 1k9r s GLU 18 Cb -0.11 -1.90 -0.07 0.00 -4.31 0.00 0.00 34.13 27.75 1k9r s GLU 18 CO 0.05 -1.05 1.56 0.00 0.01 0.00 0.00 175.26 175.83 1k9r s MET 19 N 1.34 4.22 0.00 1.61 0.23 -1.26 -1.35 119.30 124.10 1k9r s MET 19 Ca 0.12 2.18 0.00 0.00 -1.03 0.00 0.00 55.69 56.96 1k9r s MET 19 Cb -0.19 -3.65 0.00 0.00 -1.53 0.00 0.00 34.83 29.46 1k9r s MET 19 CO -0.18 -0.70 0.00 0.00 -2.03 0.00 0.00 175.02 172.11 1k9r n ALA 20 N 5.74 0.00 -2.34 3.16 0.00 0.14 -4.94 120.51 122.27 1k9r n ALA 20 Ca 0.15 0.00 -0.18 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 1.33 0.47 0.00 -2.85 -1.26 0.14 119.74 119.34 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 -1.05 -0.01 0.00 -2.06 0.00 0.00 37.83 34.71 1k9r s LYS 21 CO 0.00 0.14 0.08 -0.08 0.10 0.00 0.00 175.35 175.59 1k9r s THR 22 N -3.03 0.77 -0.91 3.79 -1.32 -0.91 -4.70 115.64 109.32 1k9r s THR 22 Ca 0.23 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.46 1k9r s THR 22 Cb 0.00 -2.19 -0.06 0.00 -1.51 0.00 0.00 72.50 68.74 1k9r s THR 22 CO 0.07 0.00 2.01 -0.55 -2.21 0.00 0.00 174.62 173.93 1k9r s SER 23 N -3.75 4.96 0.00 8.08 0.15 -1.26 -3.23 113.70 118.64 1k9r s SER 23 Ca 0.13 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1k9r s SER 23 Cb 0.01 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1k9r s SER 23 CO 0.09 -2.93 0.00 -1.20 1.20 0.00 0.00 173.24 170.39 1k9r n SER 24 N 14.67 0.00 0.00 5.45 7.64 -1.26 -4.98 113.62 135.14 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 1.86 3.11 0.23 0.00 -1.20 -5.12 105.19 104.07 1k9r n GLY 25 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.47 0.67 -0.29 1.61 2.00 -1.26 -5.04 119.66 116.87 1k9r s GLN 26 Ca 0.00 -0.93 -0.27 0.00 -2.00 0.00 0.00 55.36 52.16 1k9r s GLN 26 Cb 0.00 -0.41 0.01 0.00 0.80 0.00 0.00 33.01 33.41 1k9r s GLN 26 CO 0.00 0.07 0.98 1.03 -0.50 0.00 0.00 175.29 176.87 1k9r s ARG 27 N -2.07 4.08 0.51 1.67 3.00 -1.26 -2.15 118.95 122.73 1k9r s ARG 27 Ca -0.04 0.99 0.08 0.00 0.00 0.00 0.00 55.73 56.76 1k9r s ARG 27 Cb -0.07 -3.71 0.04 0.00 0.00 0.00 0.00 34.95 31.20 1k9r s ARG 27 CO 0.00 -0.77 0.53 1.52 0.00 0.00 0.00 175.30 176.58 1k9r s TYR 28 N 3.34 1.94 -0.28 -0.53 1.13 0.37 -4.70 117.35 118.62 1k9r s TYR 28 Ca 0.41 -0.68 0.02 0.00 -1.41 0.00 0.00 57.07 55.41 1k9r s TYR 28 Cb -0.13 -2.11 0.08 0.00 -1.10 0.00 0.00 41.96 38.70 1k9r s TYR 28 CO 0.12 -0.59 -0.01 -0.06 -2.51 0.00 0.00 175.55 172.51 1k9r s PHE 29 N -2.63 2.86 -0.42 -3.49 0.40 0.41 0.29 117.98 115.39 1k9r s PHE 29 Ca 0.48 -2.24 -0.29 0.00 -0.60 0.00 0.00 56.93 54.28 1k9r s PHE 29 Cb -0.04 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.43 1k9r s PHE 29 CO 0.29 -0.86 1.33 -1.17 0.70 0.00 0.00 175.22 175.51 1k9r s LEU 30 N 1.23 3.62 -0.48 -0.37 2.96 -0.46 -1.84 118.68 123.33 1k9r s LEU 30 Ca 0.01 0.75 -0.23 0.00 -0.22 0.00 0.00 54.13 54.44 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 -0.10 -1.36 0.83 0.21 -1.32 0.00 0.00 176.35 174.61 1k9r s ASN 31 N 3.44 6.39 0.00 3.68 3.84 0.31 -1.06 114.94 131.54 1k9r s ASN 31 Ca 0.57 -0.21 0.30 0.00 0.21 0.00 0.00 52.86 53.73 1k9r s ASN 31 Cb -0.12 -2.40 1.40 0.00 -0.55 0.00 0.00 41.25 39.58 1k9r s ASN 31 CO 0.32 -1.01 1.95 1.41 -2.79 0.00 0.00 177.10 176.98 1k9r n HIS 32 N 6.91 0.00 -0.06 0.43 8.25 0.06 -1.09 115.22 129.72 1k9r n HIS 32 Ca 0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1k9r n HIS 32 Cb 0.48 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.44 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 0.58 0.00 -0.43 1.59 2.04 -1.90 -3.37 117.51 116.02 1k9r h ILE 33 Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1k9r h ILE 33 Cb 0.28 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 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 -4.22 2.28 -3.27 1.72 -0.08 -1.26 -4.97 116.55 106.76 1k9r n ASP 34 Ca -0.05 -2.00 -0.21 0.00 -1.51 0.00 0.00 54.79 51.03 1k9r n ASP 34 Cb 0.19 -0.28 0.02 0.00 2.34 0.00 0.00 41.12 43.38 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 0.75 -1.93 -3.86 -0.67 6.02 -0.25 -5.01 117.38 112.43 1k9r n GLN 35 Ca 0.14 1.57 -0.08 0.00 -0.01 0.00 0.00 57.00 58.62 1k9r n GLN 35 Cb 0.36 -3.87 -0.01 0.00 1.02 0.00 0.00 30.24 27.74 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 -2.33 0.00 -0.07 5.09 -4.23 -0.57 -4.96 115.64 108.58 1k9r s THR 36 Ca 0.22 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1k9r s THR 36 Cb -0.04 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.60 1k9r s THR 36 CO 0.83 0.00 -0.01 0.42 -0.54 0.00 0.00 174.62 175.31 1k9r s THR 37 N -3.53 0.45 0.19 3.99 -4.23 -1.26 0.11 115.64 111.36 1k9r s THR 37 Ca 0.13 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1k9r s THR 37 Cb -0.05 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 1k9r s THR 37 CO 0.08 0.26 -0.23 0.28 -0.54 0.00 0.00 174.62 174.48 1k9r s THR 38 N 1.72 2.23 -0.19 3.99 -1.32 -0.77 -4.85 115.64 116.45 1k9r s THR 38 Ca 0.01 -2.01 -0.18 0.00 -1.21 0.00 0.00 61.69 58.30 1k9r s THR 38 Cb -0.13 -2.06 -0.14 0.00 -1.51 0.00 0.00 72.50 68.66 1k9r s THR 38 CO -0.04 -0.17 0.08 0.79 -2.21 0.00 0.00 174.62 173.06 1k9r n TRP 39 N 0.25 0.95 0.00 9.09 7.02 -1.26 0.16 117.44 133.65 1k9r n TRP 39 Ca -0.12 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.77 1k9r n TRP 39 Cb 0.56 -1.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 1k9r n TRP 39 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1k9r n GLN 40 N -4.48 1.37 -5.00 -0.99 10.64 -1.26 -4.58 117.38 113.08 1k9r n GLN 40 Ca -0.26 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.62 1k9r n GLN 40 Cb 0.57 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.80 1k9r n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1k9r s ASP 41 N -1.33 2.84 0.21 2.61 1.11 -1.26 -4.78 116.67 116.06 1k9r s ASP 41 Ca 0.00 -0.50 0.02 0.00 0.18 0.00 0.00 52.55 52.26 1k9r s ASP 41 Cb 0.00 -0.28 0.15 0.00 1.07 0.00 0.00 42.92 43.86 1k9r s ASP 41 CO 0.00 0.26 1.50 1.55 1.18 0.00 0.00 175.17 179.65 1k9r h PRO 42 N 5.19 0.28 -4.51 8.23 0.13 -1.97 -3.44 132.00 135.91 1k9r h PRO 42 Ca -0.43 -0.22 -0.40 0.00 -0.87 0.00 0.00 66.00 64.08 1k9r h PRO 42 Cb 1.14 0.04 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 1k9r h PRO 42 CO 0.46 0.86 -0.78 0.50 -0.23 0.00 0.00 178.00 178.80 1k9r s ARG 43 N -3.63 0.81 0.00 0.86 3.52 -1.26 -5.16 118.95 114.09 1k9r s ARG 43 Ca -0.04 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 1k9r s ARG 43 Cb 0.11 -0.78 0.00 0.00 -1.56 0.00 0.00 34.95 32.72 1k9r s ARG 43 CO 0.81 0.11 0.00 1.63 -0.81 0.00 0.00 175.30 177.04