#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5r n GLU 6 N 0.00 1.85 -3.05 -1.08 1.02 -1.26 -4.88 120.64 113.25 1k5r n GLU 6 Ca 0.00 0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 57.40 1k5r n GLU 6 Cb 0.00 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.08 1k5r n GLU 6 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k5r s ILE 7 N -0.03 4.99 -0.16 -3.67 1.01 -1.26 -4.93 121.20 117.15 1k5r s ILE 7 Ca 0.70 1.35 0.28 0.00 0.00 0.00 0.00 60.65 62.98 1k5r s ILE 7 Cb -0.70 -4.01 0.37 0.00 0.01 0.00 0.00 42.46 38.13 1k5r s ILE 7 CO 0.50 0.12 1.80 1.55 0.00 0.00 0.00 174.94 178.91 1k5r h PRO 8 N 7.29 0.00 -1.02 2.79 0.13 -1.91 -3.25 132.00 136.03 1k5r h PRO 8 Ca -0.33 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.10 1k5r h PRO 8 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1k5r h PRO 8 CO 0.79 0.00 0.81 -0.44 -0.23 0.00 0.00 178.00 178.93 1k5r h ASP 9 N 0.00 0.00 0.00 1.44 5.19 -2.00 -3.44 116.42 117.61 1k5r h ASP 9 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1k5r h ASP 9 Cb 0.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1k5r h ASP 9 CO 0.00 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.59 1k5r n ASP 10 N -3.99 0.00 -4.25 6.45 8.00 -1.22 -5.14 116.55 116.39 1k5r n ASP 10 Ca 0.22 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.46 1k5r n ASP 10 Cb 1.15 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 42.11 1k5r n ASP 10 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k5r s VAL 11 N 0.00 1.66 0.00 2.53 1.01 -1.25 -5.00 120.40 119.35 1k5r s VAL 11 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1k5r s VAL 11 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1k5r s VAL 11 CO 0.00 0.22 0.00 -0.81 0.00 0.00 0.00 175.10 174.51 1k5r n PRO 12 N 1.89 0.43 -1.65 2.72 -0.04 -1.26 -4.26 135.00 132.83 1k5r n PRO 12 Ca -0.17 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.95 1k5r n PRO 12 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.06 1k5r n PRO 12 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1k5r s LEU 13 N 0.00 3.38 0.40 1.53 0.20 -1.26 -4.54 118.68 118.39 1k5r s LEU 13 Ca 0.00 2.17 -0.26 0.00 0.69 0.00 0.00 54.13 56.73 1k5r s LEU 13 Cb 0.00 -4.57 -0.09 0.00 -0.43 0.00 0.00 46.19 41.10 1k5r s LEU 13 CO 0.00 -1.88 1.31 -2.16 -0.29 0.00 0.00 176.35 173.34 1k5r s PRO 14 N -3.95 4.00 -0.01 0.98 0.04 -1.26 -4.96 135.00 129.83 1k5r s PRO 14 Ca 0.71 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.63 1k5r s PRO 14 Cb -0.25 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 1k5r s PRO 14 CO 0.42 -0.48 1.10 0.00 0.04 0.00 0.00 177.00 178.08 1k5r s ALA 15 N -1.24 3.34 0.00 8.56 0.00 -1.26 -3.34 121.76 127.81 1k5r s ALA 15 Ca 0.56 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1k5r s ALA 15 Cb -0.39 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1k5r s ALA 15 CO 0.50 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1k5r n GLY 16 N 3.12 0.88 1.54 0.00 0.00 -1.26 -5.07 105.19 104.40 1k5r n GLY 16 Ca 0.08 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1k5r n GLY 16 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k5r n TRP 17 N -3.00 0.43 -2.68 1.61 7.02 -1.21 -4.10 117.44 115.51 1k5r n TRP 17 Ca 0.00 -1.08 -0.04 0.00 -1.02 0.00 0.00 57.50 55.36 1k5r n TRP 17 Cb 0.35 -0.12 0.05 0.00 -2.42 0.00 0.00 31.31 29.16 1k5r n TRP 17 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k5r n GLU 18 N -0.52 0.19 -1.15 -0.99 4.07 0.48 -4.89 120.64 117.84 1k5r n GLU 18 Ca -0.08 -0.94 -0.37 0.00 -0.06 0.00 0.00 57.16 55.71 1k5r n GLU 18 Cb 0.27 -0.24 0.04 0.00 -0.06 0.00 0.00 31.44 31.45 1k5r n GLU 18 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k5r n MET 19 N 2.23 0.06 -0.25 5.31 0.00 -1.26 -3.69 117.12 119.52 1k5r n MET 19 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1k5r n MET 19 Cb 0.66 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.66 1k5r n MET 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k5r n ALA 20 N -2.11 1.51 -1.18 3.17 0.00 -1.15 -4.75 120.51 115.99 1k5r n ALA 20 Ca 0.05 -0.42 0.15 0.00 0.00 0.00 0.00 53.44 53.21 1k5r n ALA 20 Cb 0.51 -0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1k5r n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k5r n LYS 21 N 0.00 -2.33 -2.97 0.00 5.02 -1.26 -4.45 118.16 112.16 1k5r n LYS 21 Ca 0.00 1.67 -0.32 0.00 -2.02 0.00 0.00 58.31 57.64 1k5r n LYS 21 Cb 0.56 -2.89 -0.03 0.00 -0.02 0.00 0.00 35.03 32.65 1k5r n LYS 21 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1k5r n THR 22 N -3.61 3.91 -0.33 -0.18 -2.24 -1.26 -4.82 114.28 105.75 1k5r n THR 22 Ca -0.02 -5.65 0.00 0.00 -2.27 0.00 0.00 64.05 56.11 1k5r n THR 22 Cb 0.64 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1k5r n THR 22 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k5r n SER 23 N 0.17 -0.64 0.00 3.42 3.41 -1.26 -5.04 113.62 113.68 1k5r n SER 23 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1k5r n SER 23 Cb 0.36 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1k5r n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k5r n GLY 25 N -0.42 0.00 2.00 5.00 0.00 -1.26 -5.22 105.19 105.30 1k5r n GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k5r n GLY 25 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k5r n GLN 26 N 0.00 0.00 -1.54 1.61 -0.06 -1.26 -5.16 117.38 110.97 1k5r n GLN 26 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.10 1k5r n GLN 26 Cb 0.00 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.13 1k5r n GLN 26 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1k5r n ARG 27 N -3.26 -3.78 -3.59 3.69 0.63 -1.26 -5.01 116.66 104.07 1k5r n ARG 27 Ca 0.00 3.02 -0.07 0.00 -0.92 0.00 0.00 57.85 59.88 1k5r n ARG 27 Cb 0.00 -4.05 -0.04 0.00 0.45 0.00 0.00 32.46 28.83 1k5r n ARG 27 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1k5r s TYR 28 N -4.87 -0.23 -0.16 -0.14 1.13 -1.26 -4.91 117.35 106.91 1k5r s TYR 28 Ca 0.00 0.32 -0.20 0.00 -1.41 0.00 0.00 57.07 55.78 1k5r s TYR 28 Cb 0.00 0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1k5r s TYR 28 CO 0.00 -0.26 0.58 -0.06 -2.51 0.00 0.00 175.55 173.29 1k5r s PHE 29 N -1.64 3.43 0.31 -3.49 0.08 -1.26 -2.95 117.98 112.46 1k5r s PHE 29 Ca 0.04 0.92 0.08 0.00 0.12 0.00 0.00 56.93 58.09 1k5r s PHE 29 Cb -0.01 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.70 1k5r s PHE 29 CO -0.03 -0.04 0.19 -1.17 -0.10 0.00 0.00 175.22 174.07 1k5r s LEU 30 N 1.39 3.50 -0.17 -0.37 0.20 -1.24 -3.92 118.68 118.07 1k5r s LEU 30 Ca 0.28 -0.53 -0.20 0.00 0.69 0.00 0.00 54.13 54.36 1k5r s LEU 30 Cb -0.16 -2.05 0.05 0.00 -0.43 0.00 0.00 46.19 43.61 1k5r s LEU 30 CO 0.11 -0.22 0.55 0.54 -0.29 0.00 0.00 176.35 177.04 1k5r s ASN 31 N -3.88 -0.55 -0.27 3.68 2.20 -1.26 0.18 114.94 115.04 1k5r s ASN 31 Ca 0.37 0.97 0.08 0.00 -0.94 0.00 0.00 52.86 53.34 1k5r s ASN 31 Cb -0.05 0.98 0.65 0.00 -2.00 0.00 0.00 41.25 40.82 1k5r s ASN 31 CO 0.24 -0.27 1.65 1.57 -2.94 0.00 0.00 177.10 177.35 1k5r n HIS 32 N 2.40 2.11 -0.01 1.54 -0.00 -1.26 -3.06 115.22 116.95 1k5r n HIS 32 Ca -0.15 -1.03 -0.02 0.00 0.46 0.00 0.00 57.72 56.98 1k5r n HIS 32 Cb 0.56 -0.61 -0.01 0.00 -0.12 0.00 0.00 29.99 29.82 1k5r n HIS 32 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1k5r n ILE 33 N -0.05 0.48 1.36 3.57 5.41 -1.26 -4.65 119.36 124.22 1k5r n ILE 33 Ca 0.35 0.26 0.14 0.00 1.00 0.00 0.00 62.75 64.50 1k5r n ILE 33 Cb 1.24 -1.52 0.60 0.00 -0.71 0.00 0.00 39.64 39.25 1k5r n ILE 33 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1k5r n ASP 34 N -3.03 0.39 -3.64 4.38 2.03 -1.26 -4.94 116.55 110.49 1k5r n ASP 34 Ca -0.03 -0.44 -0.20 0.00 0.52 0.00 0.00 54.79 54.64 1k5r n ASP 34 Cb 0.10 -0.10 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1k5r n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k5r n GLN 35 N -1.06 -5.16 -3.54 -0.67 3.00 -1.17 -4.97 117.38 103.80 1k5r n GLN 35 Ca 0.13 0.67 -0.07 0.00 -0.01 0.00 0.00 57.00 57.72 1k5r n GLN 35 Cb 0.28 -5.31 -0.02 0.00 0.00 0.00 0.00 30.24 25.19 1k5r n GLN 35 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1k5r s THR 36 N -3.60 0.00 -0.18 5.09 -4.23 -1.25 -5.03 115.64 106.44 1k5r s THR 36 Ca 0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1k5r s THR 36 Cb -0.00 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 1k5r s THR 36 CO 0.79 0.00 -0.01 0.42 -0.54 0.00 0.00 174.62 175.29 1k5r s THR 37 N -2.63 4.04 -0.85 3.99 -4.23 -1.26 -4.01 115.64 110.69 1k5r s THR 37 Ca 0.06 -0.30 0.24 0.00 -1.18 0.00 0.00 61.69 60.51 1k5r s THR 37 Cb -0.01 -2.80 0.23 0.00 1.34 0.00 0.00 72.50 71.26 1k5r s THR 37 CO -0.06 0.46 1.75 1.07 -0.54 0.00 0.00 174.62 177.30 1k5r n THR 38 N 3.84 0.51 0.00 3.99 5.66 -1.25 -4.90 114.28 122.13 1k5r n THR 38 Ca -0.17 0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1k5r n THR 38 Cb 0.52 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 1k5r n THR 38 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 1k5r n TRP 39 N -1.81 0.00 -4.26 1.09 -0.00 -1.26 -4.56 117.44 106.63 1k5r n TRP 39 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.28 1k5r n TRP 39 Cb 0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 31.45 1k5r n TRP 39 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1k5r s GLN 40 N 0.00 1.92 0.05 5.87 -0.21 -1.24 -4.69 119.66 121.35 1k5r s GLN 40 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1k5r s GLN 40 Cb 0.00 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 32.28 1k5r s GLN 40 CO 0.00 -0.13 0.00 -0.25 -2.12 0.00 0.00 175.29 172.79 1k5r n ASP 41 N 4.41 -0.42 0.20 5.90 9.92 -1.26 -5.01 116.55 130.30 1k5r n ASP 41 Ca -0.18 0.52 -0.11 0.00 -0.53 0.00 0.00 54.79 54.49 1k5r n ASP 41 Cb 0.51 0.81 -0.06 0.00 -0.64 0.00 0.00 41.12 41.74 1k5r n ASP 41 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1k5r h PRO 42 N 0.00 -0.55 0.00 -0.24 0.13 -1.90 -3.46 132.00 125.98 1k5r h PRO 42 Ca 0.00 0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 1k5r h PRO 42 Cb 0.00 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.20 1k5r h PRO 42 CO 0.00 -0.27 0.08 -2.13 -0.23 0.00 0.00 178.00 175.45 1k5r n ARG 43 N -5.17 0.15 0.00 0.86 0.00 -1.26 -3.90 116.66 107.34 1k5r n ARG 43 Ca -0.09 -0.38 0.00 0.00 -0.00 0.00 0.00 57.85 57.38 1k5r n ARG 43 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.76 1k5r n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26