#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 -3.36 -2.00 -1.08 4.71 -1.26 -4.79 120.64 112.85 1k5r n GLU 6 Ca 0.00 2.66 -0.42 0.00 -0.01 0.00 0.00 57.16 59.38 1k5r n GLU 6 Cb 0.00 -3.81 -0.03 0.00 -1.01 0.00 0.00 31.44 26.59 1k5r n GLU 6 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1k5r s ILE 7 N -0.68 3.13 -0.06 -3.67 1.01 -1.26 -4.91 121.20 114.77 1k5r s ILE 7 Ca -0.16 0.63 -0.27 0.00 0.00 0.00 0.00 60.65 60.86 1k5r s ILE 7 Cb 0.01 -3.41 -0.22 0.00 0.01 0.00 0.00 42.46 38.85 1k5r s ILE 7 CO 0.55 0.01 1.11 1.55 0.00 0.00 0.00 174.94 178.16 1k5r h PRO 8 N 7.92 0.01 0.00 2.79 0.13 -2.01 -3.47 132.00 137.37 1k5r h PRO 8 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1k5r h PRO 8 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1k5r h PRO 8 CO 0.92 0.66 0.00 -0.25 -0.23 0.00 0.00 178.00 179.09 1k5r n ASP 9 N -4.77 0.00 0.00 1.44 8.00 -1.26 -5.06 116.55 114.90 1k5r n ASP 9 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1k5r n ASP 9 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1k5r n ASP 9 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1k5r n ASP 10 N -0.84 0.00 -1.35 -2.24 8.00 -1.26 -5.10 116.55 113.76 1k5r n ASP 10 Ca 0.00 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.66 1k5r n ASP 10 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 1k5r n ASP 10 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1k5r n VAL 11 N -1.51 -0.17 -0.20 2.53 3.14 -1.26 -4.89 118.33 115.97 1k5r n VAL 11 Ca 0.00 0.52 0.00 0.00 -2.96 0.00 0.00 64.34 61.90 1k5r n VAL 11 Cb 0.00 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 1k5r n VAL 11 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1k5r n PRO 12 N -4.09 0.44 -3.88 1.45 -0.04 -1.26 -5.09 135.00 122.53 1k5r n PRO 12 Ca -0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1k5r n PRO 12 Cb 0.66 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.99 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 1.85 0.37 1.53 0.20 -1.26 -5.01 118.68 116.36 1k5r s LEU 13 Ca 0.00 -0.06 -0.27 0.00 0.69 0.00 0.00 54.13 54.49 1k5r s LEU 13 Cb 0.00 0.24 -0.09 0.00 -0.43 0.00 0.00 46.19 45.91 1k5r s LEU 13 CO 0.00 -0.13 1.25 -2.16 -0.29 0.00 0.00 176.35 175.02 1k5r s PRO 14 N -0.48 4.16 0.00 0.98 0.04 -1.26 -4.99 135.00 133.46 1k5r s PRO 14 Ca -0.05 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 1k5r s PRO 14 Cb -0.03 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1k5r s PRO 14 CO 0.00 -0.29 0.87 0.00 0.04 0.00 0.00 177.00 177.61 1k5r s ALA 15 N -1.26 3.25 0.00 8.56 0.00 -1.26 -3.61 121.76 127.44 1k5r s ALA 15 Ca 0.54 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1k5r s ALA 15 Cb -0.36 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1k5r s ALA 15 CO 0.46 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1k5r n GLY 16 N 2.79 0.90 3.32 0.00 0.00 -1.26 -5.06 105.19 105.87 1k5r n GLY 16 Ca 0.02 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 2.55 -0.83 1.61 0.52 -1.24 -4.50 118.94 115.06 1k5r s TRP 17 Ca 0.00 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.51 1k5r s TRP 17 Cb 0.00 -1.65 0.25 0.00 -1.15 0.00 0.00 33.47 30.92 1k5r s TRP 17 CO 0.00 -0.15 0.93 -1.91 0.02 0.00 0.00 176.95 175.84 1k5r n GLU 18 N 2.95 3.02 -1.48 4.98 4.07 -1.25 -4.99 120.64 127.94 1k5r n GLU 18 Ca -0.18 -4.58 -0.49 0.00 -0.06 0.00 0.00 57.16 51.85 1k5r n GLU 18 Cb 0.52 -2.37 -0.06 0.00 -0.06 0.00 0.00 31.44 29.48 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 1.42 1.30 0.00 5.31 0.00 -1.26 -4.28 117.12 119.60 1k5r n MET 19 Ca 0.26 0.35 0.15 0.00 0.00 0.00 0.00 57.70 58.47 1k5r n MET 19 Cb 0.37 -2.66 0.82 0.00 0.00 0.00 0.00 33.22 31.76 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 10.31 2.55 -1.53 3.17 0.00 -1.24 -4.87 120.51 128.90 1k5r n ALA 20 Ca 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.67 1k5r n ALA 20 Cb 0.28 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.18 -3.99 -3.43 0.00 4.81 -1.25 -4.88 118.16 108.23 1k5r n LYS 21 Ca 0.18 3.11 -0.32 0.00 -0.87 0.00 0.00 58.31 60.40 1k5r n LYS 21 Cb 0.19 -3.91 -0.05 0.00 0.02 0.00 0.00 35.03 31.28 1k5r n LYS 21 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1k5r s THR 22 N -5.35 4.94 -0.99 3.15 -4.23 -1.26 -4.81 115.64 107.09 1k5r s THR 22 Ca 0.00 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1k5r s THR 22 Cb 0.00 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1k5r s THR 22 CO 0.00 -0.00 0.55 -1.20 -0.54 0.00 0.00 174.62 173.43 1k5r n SER 23 N 0.06 0.00 -4.52 3.99 7.64 -1.26 -4.70 113.62 114.83 1k5r n SER 23 Ca -0.01 0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 1k5r n SER 23 Cb 0.52 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 1k5r n SER 23 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1k5r s GLY 25 N -2.11 1.70 0.02 0.23 0.00 -1.26 -5.07 107.32 100.84 1k5r s GLY 25 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1k5r s GLY 25 CO 0.00 1.56 0.00 -0.18 0.00 0.00 0.00 173.10 174.48 1k5r n GLN 26 N 6.31 0.00 -1.85 2.90 -0.06 -1.26 -5.15 117.38 118.27 1k5r n GLN 26 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1k5r n GLN 26 Cb 0.48 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.66 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 -2.57 -5.13 -3.87 3.69 0.63 -1.26 -4.89 116.66 103.26 1k5r n ARG 27 Ca 0.00 3.69 -0.10 0.00 -0.92 0.00 0.00 57.85 60.52 1k5r n ARG 27 Cb 0.00 -4.03 -0.08 0.00 0.45 0.00 0.00 32.46 28.80 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 -1.64 0.12 -1.11 -0.14 1.13 -1.26 -4.84 117.35 109.61 1k5r s TYR 28 Ca 0.00 -0.44 -0.11 0.00 -1.41 0.00 0.00 57.07 55.11 1k5r s TYR 28 Cb 0.00 -0.07 0.24 0.00 -1.10 0.00 0.00 41.96 41.03 1k5r s TYR 28 CO 0.00 -0.46 1.17 -0.06 -2.51 0.00 0.00 175.55 173.69 1k5r s PHE 29 N -3.11 4.00 -0.95 -3.49 0.08 -1.26 -3.69 117.98 109.56 1k5r s PHE 29 Ca -0.01 -2.46 -0.26 0.00 0.12 0.00 0.00 56.93 54.32 1k5r s PHE 29 Cb 0.02 -3.98 -0.23 0.00 -0.57 0.00 0.00 43.02 38.26 1k5r s PHE 29 CO -0.07 -1.09 2.57 -0.11 -0.10 0.00 0.00 175.22 176.42 1k5r n LEU 30 N 3.69 0.20 -4.48 -0.37 0.00 -1.26 -3.96 117.00 110.81 1k5r n LEU 30 Ca 0.26 -0.06 -0.31 0.00 0.00 0.00 0.00 56.01 55.90 1k5r n LEU 30 Cb 0.41 -0.93 -0.05 0.00 0.00 0.00 0.00 43.42 42.84 1k5r n LEU 30 CO 0.50 -0.98 1.63 -3.20 0.00 0.00 0.00 177.39 175.33 1k5r n ASN 31 N 10.32 3.24 -1.07 1.96 5.15 -0.59 -3.79 115.26 130.47 1k5r n ASN 31 Ca 0.63 -2.72 0.05 0.00 -0.60 0.00 0.00 54.58 51.94 1k5r n ASN 31 Cb 0.11 -1.68 0.21 0.00 -0.53 0.00 0.00 39.78 37.88 1k5r n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k5r n HIS 32 N 13.03 0.92 -0.09 1.20 1.44 -1.26 -2.20 115.22 128.26 1k5r n HIS 32 Ca 0.46 -0.35 -0.14 0.00 -2.01 0.00 0.00 57.72 55.68 1k5r n HIS 32 Cb 0.46 -0.20 -0.14 0.00 0.12 0.00 0.00 29.99 30.22 1k5r n HIS 32 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1k5r n ILE 33 N 0.48 1.50 -2.06 0.61 -5.35 -1.26 -4.76 119.36 108.52 1k5r n ILE 33 Ca 0.15 -0.72 -0.05 0.00 -0.27 0.00 0.00 62.75 61.86 1k5r n ILE 33 Cb 0.61 -1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 37.44 1k5r n ILE 33 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1k5r n ASP 34 N -3.05 -0.62 0.00 7.28 2.03 -1.26 -5.14 116.55 115.79 1k5r n ASP 34 Ca -0.36 -1.88 0.00 0.00 0.52 0.00 0.00 54.79 53.08 1k5r n ASP 34 Cb 1.07 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.65 1k5r n ASP 34 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1k5r n GLN 35 N 0.06 0.00 -0.23 -0.67 7.27 -0.93 -5.13 117.38 117.75 1k5r n GLN 35 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.87 1k5r n GLN 35 Cb 0.73 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.38 1k5r n GLN 35 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1k5r n THR 36 N 0.00 0.00 -1.70 1.69 -2.24 -1.07 -4.22 114.28 106.74 1k5r n THR 36 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 1k5r n THR 36 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1k5r n THR 36 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k5r n THR 37 N 0.00 0.17 -0.07 4.28 -2.24 -1.26 -1.54 114.28 113.61 1k5r n THR 37 Ca 0.00 -0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1k5r n THR 37 Cb 0.00 -1.79 -0.05 0.00 -2.10 0.00 0.00 70.33 66.39 1k5r n THR 37 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1k5r h THR 38 N 3.64 1.29 0.00 4.28 1.35 -1.93 -3.46 112.91 118.08 1k5r h THR 38 Ca -0.44 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1k5r h THR 38 Cb 1.23 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1k5r h THR 38 CO 0.90 0.54 0.00 1.87 -0.25 0.00 0.00 175.52 178.58 1k5r n TRP 39 N -4.10 0.00 0.00 4.73 -0.00 -1.26 -4.08 117.44 112.73 1k5r n TRP 39 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.45 1k5r n TRP 39 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.90 1k5r n TRP 39 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1k5r n GLN 40 N 0.00 0.00 -3.64 5.87 6.02 -1.26 -4.97 117.38 119.40 1k5r n GLN 40 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1k5r n GLN 40 Cb 0.00 -0.97 -0.07 0.00 1.02 0.00 0.00 30.24 30.22 1k5r n GLN 40 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1k5r s ASP 41 N -1.94 -0.42 0.30 1.08 1.47 -1.26 -4.95 116.67 110.94 1k5r s ASP 41 Ca 0.00 0.75 0.00 0.00 1.18 0.00 0.00 52.55 54.48 1k5r s ASP 41 Cb 0.00 0.93 0.00 0.00 -0.34 0.00 0.00 42.92 43.51 1k5r s ASP 41 CO 0.00 -0.13 0.00 -0.81 0.68 0.00 0.00 175.17 174.91 1k5r n PRO 42 N 2.75 0.51 0.24 2.11 -0.04 -1.26 -4.86 135.00 134.43 1k5r n PRO 42 Ca -0.15 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.48 1k5r n PRO 42 Cb 0.57 0.00 0.76 0.00 -0.04 0.00 0.00 33.50 34.78 1k5r n PRO 42 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1k5r h ARG 43 N 0.00 0.00 0.00 0.54 9.65 -2.02 -3.50 114.38 119.05 1k5r h ARG 43 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1k5r h ARG 43 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1k5r h ARG 43 CO 0.00 0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.40