#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 -1.94 -2.37 -1.08 1.02 -1.26 -4.65 120.64 110.36 1k5r n GLU 6 Ca 0.00 1.30 -0.38 0.00 -0.02 0.00 0.00 57.16 58.06 1k5r n GLU 6 Cb 0.00 -2.38 -0.03 0.00 -0.02 0.00 0.00 31.44 29.01 1k5r n GLU 6 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1k5r s ILE 7 N -1.98 3.31 0.00 -3.67 2.07 -1.26 -5.02 121.20 114.66 1k5r s ILE 7 Ca 0.00 1.12 0.00 0.00 -1.41 0.00 0.00 60.65 60.36 1k5r s ILE 7 Cb 0.00 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.96 1k5r s ILE 7 CO 0.00 0.11 0.00 -0.81 -1.91 0.00 0.00 174.94 172.33 1k5r n PRO 8 N 0.23 0.00 -1.95 3.50 -0.04 -1.26 -4.68 135.00 130.81 1k5r n PRO 8 Ca 0.03 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1k5r n PRO 8 Cb 0.47 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.92 1k5r n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1k5r n ASP 9 N 0.00 -2.01 0.00 3.54 2.03 -1.26 -2.92 116.55 115.93 1k5r n ASP 9 Ca 0.00 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1k5r n ASP 9 Cb 0.00 -1.92 0.00 0.00 -0.72 0.00 0.00 41.12 38.48 1k5r n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1k5r n ASP 10 N -0.84 0.00 -4.14 1.67 -0.08 -1.26 -4.74 116.55 107.15 1k5r n ASP 10 Ca -0.06 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.02 1k5r n ASP 10 Cb 0.41 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.73 1k5r n ASP 10 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k5r s VAL 11 N 0.00 1.10 0.00 5.18 1.01 -1.15 -5.15 120.40 121.39 1k5r s VAL 11 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1k5r s VAL 11 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1k5r s VAL 11 CO 0.00 -0.01 0.00 -0.81 0.00 0.00 0.00 175.10 174.28 1k5r n PRO 12 N 1.88 1.23 -1.52 2.72 -0.04 -1.26 -4.66 135.00 133.34 1k5r n PRO 12 Ca -0.18 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.78 1k5r n PRO 12 Cb 0.55 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1k5r n PRO 12 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1k5r n LEU 13 N 0.00 0.64 -4.77 1.53 0.00 -1.26 -4.45 117.00 108.69 1k5r n LEU 13 Ca 0.00 1.15 -0.36 0.00 0.00 0.00 0.00 56.01 56.80 1k5r n LEU 13 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 43.42 42.32 1k5r n LEU 13 CO 0.00 -1.80 0.81 -2.16 0.00 0.00 0.00 177.39 174.24 1k5r s PRO 14 N -0.53 3.33 -0.05 1.96 0.04 -1.26 -4.95 135.00 133.53 1k5r s PRO 14 Ca 0.73 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 1k5r s PRO 14 Cb -0.94 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1k5r s PRO 14 CO 0.55 -0.89 0.73 0.00 0.04 0.00 0.00 177.00 177.42 1k5r s ALA 15 N -1.69 3.33 0.00 8.56 0.00 -1.26 -3.93 121.76 126.77 1k5r s ALA 15 Ca 0.73 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1k5r s ALA 15 Cb -0.26 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1k5r s ALA 15 CO 0.30 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1k5r n GLY 16 N 3.01 0.92 3.00 0.00 0.00 -1.26 -5.03 105.19 105.84 1k5r n GLY 16 Ca -0.01 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 1k5r n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k5r s TRP 17 N -2.87 1.75 -1.09 1.61 0.52 -1.25 -4.35 118.94 113.25 1k5r s TRP 17 Ca 0.00 -0.83 -0.04 0.00 0.02 0.00 0.00 56.10 55.25 1k5r s TRP 17 Cb 0.00 -1.31 0.30 0.00 -1.15 0.00 0.00 33.47 31.31 1k5r s TRP 17 CO 0.00 -0.47 1.51 -1.91 0.02 0.00 0.00 176.95 176.10 1k5r n GLU 18 N 4.39 4.44 -1.64 4.98 4.07 0.44 -4.75 120.64 132.57 1k5r n GLU 18 Ca -0.18 -4.50 -0.53 0.00 -0.06 0.00 0.00 57.16 51.89 1k5r n GLU 18 Cb 0.51 -2.53 -0.06 0.00 -0.06 0.00 0.00 31.44 29.29 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 1.46 1.26 0.00 5.31 0.00 -1.25 -4.04 117.12 119.87 1k5r n MET 19 Ca 0.27 0.46 0.06 0.00 0.00 0.00 0.00 57.70 58.49 1k5r n MET 19 Cb 0.33 -2.13 -0.05 0.00 0.00 0.00 0.00 33.22 31.37 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 3.75 3.49 -1.50 3.17 0.00 -1.22 -4.83 120.51 123.37 1k5r n ALA 20 Ca 0.21 -0.39 0.16 0.00 0.00 0.00 0.00 53.44 53.42 1k5r n ALA 20 Cb 0.18 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 1k5r n ALA 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1k5r n LYS 21 N -1.01 -3.52 -1.16 0.00 4.81 -1.23 -4.94 118.16 111.13 1k5r n LYS 21 Ca 0.03 2.87 -0.06 0.00 -0.87 0.00 0.00 58.31 60.28 1k5r n LYS 21 Cb 0.22 -4.02 0.03 0.00 0.02 0.00 0.00 35.03 31.28 1k5r n LYS 21 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1k5r n THR 22 N -4.21 0.00 0.14 3.15 -2.24 -1.25 -4.81 114.28 105.06 1k5r n THR 22 Ca -0.09 -0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1k5r n THR 22 Cb 0.68 -1.23 0.33 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.97 0.32 0.00 3.42 3.41 -1.26 -4.94 113.62 111.60 1k5r n SER 23 Ca 0.04 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1k5r n SER 23 Cb 0.16 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.28 2.84 2.47 5.00 0.00 -1.26 -5.08 105.19 107.89 1k5r n GLY 25 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.26 2.96 -1.59 1.61 -0.06 -1.26 -5.08 117.38 112.69 1k5r n GLN 26 Ca 0.00 -4.20 -0.41 0.00 -2.00 0.00 0.00 57.00 50.39 1k5r n GLN 26 Cb 0.00 -2.04 0.02 0.00 -4.06 0.00 0.00 30.24 24.16 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 -0.43 1.22 -3.98 3.69 0.63 -1.26 -3.96 116.66 112.57 1k5r n ARG 27 Ca 0.33 0.44 -0.09 0.00 -0.92 0.00 0.00 57.85 57.61 1k5r n ARG 27 Cb 0.73 -2.00 -0.08 0.00 0.45 0.00 0.00 32.46 31.56 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 -1.32 0.44 0.01 -0.14 1.13 -1.26 -3.34 117.35 112.87 1k5r s TYR 28 Ca 0.64 -0.83 -0.05 0.00 -1.41 0.00 0.00 57.07 55.42 1k5r s TYR 28 Cb -0.55 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.11 1k5r s TYR 28 CO 0.56 -0.62 0.24 -0.06 -2.51 0.00 0.00 175.55 173.16 1k5r s PHE 29 N -3.96 3.56 0.13 -3.49 0.40 -1.24 -3.44 117.98 109.95 1k5r s PHE 29 Ca 0.15 0.49 0.05 0.00 -0.60 0.00 0.00 56.93 57.02 1k5r s PHE 29 Cb 0.05 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1k5r s PHE 29 CO -0.03 0.62 -0.11 -1.17 0.70 0.00 0.00 175.22 175.23 1k5r s LEU 30 N -1.87 2.46 0.06 -0.37 2.96 -1.26 -2.90 118.68 117.77 1k5r s LEU 30 Ca 0.28 -0.90 -0.28 0.00 -0.22 0.00 0.00 54.13 53.01 1k5r s LEU 30 Cb -0.13 -0.41 0.09 0.00 0.50 0.00 0.00 46.19 46.24 1k5r s LEU 30 CO 0.17 -0.25 1.10 0.54 -1.32 0.00 0.00 176.35 176.59 1k5r s ASN 31 N -2.77 -0.14 -0.09 3.68 4.22 -1.25 0.17 114.94 118.76 1k5r s ASN 31 Ca 0.12 -0.26 0.05 0.00 -2.14 0.00 0.00 52.86 50.63 1k5r s ASN 31 Cb -0.01 0.34 -0.09 0.00 1.28 0.00 0.00 41.25 42.76 1k5r s ASN 31 CO 0.01 -0.62 -0.01 1.57 -2.04 0.00 0.00 177.10 176.02 1k5r n HIS 32 N -0.45 0.00 -0.34 1.54 -0.00 -1.26 -3.07 115.22 111.63 1k5r n HIS 32 Ca -0.07 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.28 1k5r n HIS 32 Cb 0.62 -0.40 0.39 0.00 -0.12 0.00 0.00 29.99 30.47 1k5r n HIS 32 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 1k5r h ILE 33 N 0.00 0.56 0.00 3.57 3.07 -1.96 -2.76 117.51 119.98 1k5r h ILE 33 Ca -0.22 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1k5r h ILE 33 Cb 1.46 -0.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 1k5r h ILE 33 CO -0.00 0.11 -0.32 -0.67 -1.05 0.00 0.00 178.15 176.22 1k5r n ASP 34 N -4.84 1.39 -3.39 2.16 -0.08 -1.26 -5.05 116.55 105.48 1k5r n ASP 34 Ca 0.26 -0.37 -0.18 0.00 -1.51 0.00 0.00 54.79 52.99 1k5r n ASP 34 Cb 0.73 1.01 0.04 0.00 2.34 0.00 0.00 41.12 45.25 1k5r n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k5r n GLN 35 N -1.16 -1.64 -3.55 -0.67 6.02 -1.05 -5.01 117.38 110.31 1k5r n GLN 35 Ca 0.00 0.87 -0.13 0.00 -0.01 0.00 0.00 57.00 57.73 1k5r n GLN 35 Cb 0.01 -5.00 -0.05 0.00 1.02 0.00 0.00 30.24 26.23 1k5r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1k5r s THR 36 N -3.29 0.03 -0.10 5.09 -4.23 -1.25 -5.02 115.64 106.87 1k5r s THR 36 Ca 0.33 -0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1k5r s THR 36 Cb -0.08 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1k5r s THR 36 CO 0.79 -0.13 -0.22 0.42 -0.54 0.00 0.00 174.62 174.95 1k5r s THR 37 N -2.85 1.90 0.56 3.99 -4.23 -1.26 -3.90 115.64 109.84 1k5r s THR 37 Ca -0.03 -0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1k5r s THR 37 Cb -0.00 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.20 1k5r s THR 37 CO -0.05 0.52 0.82 0.42 -0.54 0.00 0.00 174.62 175.80 1k5r s THR 38 N 0.47 3.35 -0.66 3.99 -4.23 -1.14 -4.90 115.64 112.52 1k5r s THR 38 Ca -0.16 -0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1k5r s THR 38 Cb -0.17 -3.30 0.17 0.00 1.34 0.00 0.00 72.50 70.54 1k5r s THR 38 CO 0.07 -0.26 0.48 0.86 -0.54 0.00 0.00 174.62 175.22 1k5r s TRP 39 N -2.85 3.45 -0.83 3.99 -0.00 -1.26 -3.61 118.94 117.82 1k5r s TRP 39 Ca 0.54 -2.81 0.00 0.00 -0.00 0.00 0.00 56.10 53.83 1k5r s TRP 39 Cb -0.10 -3.16 0.00 0.00 -0.00 0.00 0.00 33.47 30.20 1k5r s TRP 39 CO 0.42 -0.81 0.00 1.04 -0.00 0.00 0.00 176.95 177.60 1k5r n GLN 40 N 3.25 -2.13 -0.05 5.86 3.00 -1.21 -4.81 117.38 121.29 1k5r n GLN 40 Ca 0.10 0.47 -0.18 0.00 -0.01 0.00 0.00 57.00 57.38 1k5r n GLN 40 Cb 0.37 -4.95 -0.13 0.00 0.00 0.00 0.00 30.24 25.54 1k5r n GLN 40 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1k5r h ASP 41 N 0.00 0.13 -3.10 1.08 1.82 -1.91 -3.45 116.42 110.98 1k5r h ASP 41 Ca -0.21 -0.86 -0.59 0.00 -0.39 0.00 0.00 57.03 54.98 1k5r h ASP 41 Cb 1.03 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.96 1k5r h ASP 41 CO 0.26 1.26 -0.33 -2.16 -1.61 0.00 0.00 179.24 176.66 1k5r s PRO 42 N -2.32 3.61 -0.06 0.28 0.04 -1.26 -4.47 135.00 130.82 1k5r s PRO 42 Ca -0.21 -0.10 -0.01 0.00 0.04 0.00 0.00 61.00 60.72 1k5r s PRO 42 Cb 0.01 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1k5r s PRO 42 CO 0.70 0.51 0.02 -2.13 0.04 0.00 0.00 177.00 176.14 1k5r n ARG 43 N 0.31 -1.38 0.00 4.56 3.00 -1.26 -4.71 116.66 117.18 1k5r n ARG 43 Ca -0.04 1.42 0.13 0.00 -0.00 0.00 0.00 57.85 59.35 1k5r n ARG 43 Cb 0.52 -1.92 0.26 0.00 0.00 0.00 0.00 32.46 31.32 1k5r n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26