#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5r s GLU 6 N 0.00 4.56 0.24 -4.13 2.02 -1.26 -4.96 118.70 115.18 1k5r s GLU 6 Ca 0.00 1.36 0.15 0.00 0.02 0.00 0.00 54.97 56.50 1k5r s GLU 6 Cb 0.00 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.81 1k5r s GLU 6 CO 0.00 0.00 1.35 0.97 0.02 0.00 0.00 175.26 177.60 1k5r h ILE 7 N 4.69 0.84 0.00 -1.63 2.10 -2.04 -3.42 117.51 118.05 1k5r h ILE 7 Ca -0.41 -2.23 0.00 0.00 1.08 0.00 0.00 64.86 63.30 1k5r h ILE 7 Cb 1.22 2.38 0.00 0.00 -1.09 0.00 0.00 36.82 39.33 1k5r h ILE 7 CO 0.75 0.48 0.00 -0.81 -1.08 0.00 0.00 178.15 177.48 1k5r n PRO 8 N -3.18 0.00 -3.53 2.19 -0.04 -1.26 -4.91 135.00 124.27 1k5r n PRO 8 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1k5r n PRO 8 Cb 0.76 -0.08 0.03 0.00 -0.04 0.00 0.00 33.50 34.17 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 -5.89 -2.80 3.54 -0.08 -1.26 -3.97 116.55 106.08 1k5r n ASP 9 Ca 0.00 -0.80 -0.02 0.00 -1.51 0.00 0.00 54.79 52.45 1k5r n ASP 9 Cb 0.00 -3.73 0.00 0.00 2.34 0.00 0.00 41.12 39.73 1k5r n ASP 9 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1k5r n ASP 10 N -2.57 -7.86 -4.53 1.67 2.03 -1.26 -5.01 116.55 99.02 1k5r n ASP 10 Ca -0.10 1.15 -0.31 0.00 0.52 0.00 0.00 54.79 56.05 1k5r n ASP 10 Cb 0.59 -4.95 -0.11 0.00 -0.72 0.00 0.00 41.12 35.93 1k5r n ASP 10 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1k5r s VAL 11 N -1.76 3.22 0.04 5.18 1.01 -1.25 -5.03 120.40 121.81 1k5r s VAL 11 Ca 0.05 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1k5r s VAL 11 Cb -0.01 -2.38 -0.18 0.00 0.00 0.00 0.00 36.38 33.80 1k5r s VAL 11 CO 0.72 0.36 1.22 1.55 0.00 0.00 0.00 175.10 178.95 1k5r h PRO 12 N 4.50 0.51 -3.67 2.72 0.13 -1.95 -3.50 132.00 130.75 1k5r h PRO 12 Ca -0.48 -0.42 0.23 0.00 -0.87 0.00 0.00 66.00 64.46 1k5r h PRO 12 Cb 1.16 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 1k5r h PRO 12 CO 0.51 1.05 -1.19 -0.11 -0.23 0.00 0.00 178.00 178.02 1k5r n LEU 13 N -4.24 -1.28 -4.82 1.56 7.94 -1.26 -4.85 117.00 110.05 1k5r n LEU 13 Ca -0.08 2.62 -0.33 0.00 -1.11 0.00 0.00 56.01 57.11 1k5r n LEU 13 Cb 0.60 -3.16 -0.07 0.00 0.53 0.00 0.00 43.42 41.33 1k5r n LEU 13 CO 0.46 -1.70 0.63 -2.16 -1.11 0.00 0.00 177.39 173.51 1k5r s PRO 14 N -4.75 4.25 -0.07 1.96 0.04 -1.26 -5.01 135.00 130.16 1k5r s PRO 14 Ca 0.00 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 1k5r s PRO 14 Cb 0.00 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1k5r s PRO 14 CO 0.00 0.01 0.62 0.00 0.04 0.00 0.00 177.00 177.67 1k5r s ALA 15 N -2.11 3.40 0.00 8.56 0.00 -1.26 -4.03 121.76 126.32 1k5r s ALA 15 Ca 0.60 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1k5r s ALA 15 Cb -0.10 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1k5r s ALA 15 CO 0.14 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1k5r n GLY 16 N 3.04 0.94 3.48 0.00 0.00 -1.26 -5.07 105.19 106.32 1k5r n GLY 16 Ca -0.04 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.83 2.09 -0.38 1.61 0.52 -1.26 -4.49 118.94 114.19 1k5r s TRP 17 Ca 0.00 -0.81 0.10 0.00 0.02 0.00 0.00 56.10 55.41 1k5r s TRP 17 Cb 0.00 -1.34 0.29 0.00 -1.15 0.00 0.00 33.47 31.28 1k5r s TRP 17 CO 0.00 0.20 0.62 -1.91 0.02 0.00 0.00 176.95 175.88 1k5r n GLU 18 N -0.72 0.83 -1.39 4.98 4.07 -1.16 -5.09 120.64 122.16 1k5r n GLU 18 Ca -0.04 -3.27 -0.39 0.00 -0.06 0.00 0.00 57.16 53.41 1k5r n GLU 18 Cb 0.66 -1.43 0.03 0.00 -0.06 0.00 0.00 31.44 30.63 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 0.90 0.33 -0.33 5.31 0.00 -0.79 -4.59 117.12 117.94 1k5r n MET 19 Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 57.70 58.05 1k5r n MET 19 Cb 0.59 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.37 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 -1.59 1.67 -0.68 3.17 0.00 -1.25 -4.95 120.51 116.88 1k5r n ALA 20 Ca 0.10 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 53.01 1k5r n ALA 20 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 -0.80 -3.96 0.00 4.81 -1.26 -4.91 118.16 112.04 1k5r n LYS 21 Ca 0.00 0.53 -0.24 0.00 -0.87 0.00 0.00 58.31 57.72 1k5r n LYS 21 Cb 0.59 -0.97 -0.04 0.00 0.02 0.00 0.00 35.03 34.63 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 -1.83 0.00 -2.44 3.15 -2.24 -1.23 -4.61 114.28 105.08 1k5r n THR 22 Ca 0.00 -1.83 -0.33 0.00 -2.27 0.00 0.00 64.05 59.63 1k5r n THR 22 Cb 0.18 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1k5r n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k5r n SER 23 N -1.32 5.87 -1.40 3.42 2.88 -1.26 -4.94 113.62 116.86 1k5r n SER 23 Ca -0.14 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.65 1k5r n SER 23 Cb 0.49 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1k5r n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k5r n GLY 25 N -0.39 2.19 4.01 0.46 0.00 -1.26 -5.22 105.19 104.98 1k5r n GLY 25 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 1k5r n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k5r s GLN 26 N 0.16 2.39 -0.22 1.61 2.00 -1.26 -5.13 119.66 119.20 1k5r s GLN 26 Ca 0.00 -1.63 -0.32 0.00 -2.00 0.00 0.00 55.36 51.42 1k5r s GLN 26 Cb 0.00 -2.58 0.16 0.00 0.80 0.00 0.00 33.01 31.38 1k5r s GLN 26 CO 0.00 -0.72 1.21 0.50 -0.50 0.00 0.00 175.29 175.79 1k5r s ARG 27 N -4.55 0.29 0.00 1.67 3.52 -1.26 -3.54 118.95 115.07 1k5r s ARG 27 Ca 0.57 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1k5r s ARG 27 Cb -0.06 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.47 1k5r s ARG 27 CO 0.35 -0.11 0.00 2.48 -0.81 0.00 0.00 175.30 177.22 1k5r n TYR 28 N 0.33 -0.18 -0.00 5.12 0.18 -1.26 -4.73 117.16 116.62 1k5r n TYR 28 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1k5r n TYR 28 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 1k5r n TYR 28 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1k5r n PHE 29 N 0.00 0.00 -2.62 -3.48 3.72 -1.25 -3.93 117.46 109.89 1k5r n PHE 29 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1k5r n PHE 29 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1k5r n PHE 29 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1k5r n LEU 30 N -0.46 -5.51 -1.97 4.37 4.77 -1.26 -1.89 117.00 115.05 1k5r n LEU 30 Ca 0.00 2.05 -0.17 0.00 -0.03 0.00 0.00 56.01 57.87 1k5r n LEU 30 Cb 0.00 -2.80 0.01 0.00 -2.33 0.00 0.00 43.42 38.30 1k5r n LEU 30 CO 0.00 -3.46 1.28 -3.20 -1.33 0.00 0.00 177.39 170.69 1k5r n ASN 31 N 1.95 6.31 0.11 -1.43 2.85 -1.09 -3.74 115.26 120.21 1k5r n ASN 31 Ca -0.24 -3.00 0.19 0.00 -0.11 0.00 0.00 54.58 51.42 1k5r n ASN 31 Cb 0.37 -1.11 0.76 0.00 1.24 0.00 0.00 39.78 41.03 1k5r n ASN 31 CO 0.00 0.00 0.00 1.12 -2.11 0.00 0.00 177.26 176.27 1k5r h HIS 32 N 1.77 0.00 -0.47 1.20 2.07 -1.84 0.14 115.15 118.03 1k5r h HIS 32 Ca 0.28 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.89 1k5r h HIS 32 Cb 0.91 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.80 1k5r h HIS 32 CO 0.92 0.00 -0.25 0.97 -3.07 0.00 0.00 177.93 176.50 1k5r h ILE 33 N 0.00 0.31 0.00 6.12 2.10 -1.80 -3.40 117.51 120.85 1k5r h ILE 33 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.10 1k5r h ILE 33 Cb 0.80 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1k5r h ILE 33 CO -0.00 0.00 -0.03 -0.67 -1.08 0.00 0.00 178.15 176.36 1k5r n ASP 34 N -5.41 0.15 0.00 2.19 2.03 -0.86 -5.13 116.55 109.52 1k5r n ASP 34 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1k5r n ASP 34 Cb 0.32 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 -1.18 3.55 -4.57 -0.67 6.02 0.43 -5.12 117.38 115.84 1k5r n GLN 35 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1k5r n GLN 35 Cb 0.02 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.21 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 3.15 1.30 0.53 5.09 -4.23 -1.24 -3.63 115.64 116.61 1k5r s THR 36 Ca 0.00 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.42 1k5r s THR 36 Cb 0.00 -2.19 -0.09 0.00 1.34 0.00 0.00 72.50 71.56 1k5r s THR 36 CO 0.00 0.00 0.62 0.35 -0.54 0.00 0.00 174.62 175.05 1k5r n THR 37 N -1.36 2.34 -3.61 3.99 -2.24 -1.26 -2.68 114.28 109.46 1k5r n THR 37 Ca -0.15 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 60.94 1k5r n THR 37 Cb 0.66 -0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 67.99 1k5r n THR 37 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1k5r s THR 38 N -1.62 -0.25 0.00 4.28 -1.32 -1.26 -4.76 115.64 110.71 1k5r s THR 38 Ca 0.68 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.32 1k5r s THR 38 Cb -0.48 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1k5r s THR 38 CO 0.54 -0.01 0.68 0.79 -2.21 0.00 0.00 174.62 174.42 1k5r n TRP 39 N 5.32 0.00 -4.14 9.09 5.03 -1.26 -3.86 117.44 127.61 1k5r n TRP 39 Ca -0.05 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.16 1k5r n TRP 39 Cb 0.50 -0.18 -0.07 0.00 -1.03 0.00 0.00 31.31 30.52 1k5r n TRP 39 CO 0.00 0.00 0.00 1.14 -0.03 0.00 0.00 177.69 178.80 1k5r s GLN 40 N -1.73 2.92 0.01 -0.99 -2.07 -1.25 -4.69 119.66 111.87 1k5r s GLN 40 Ca 0.00 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 1k5r s GLN 40 Cb 0.00 -2.76 0.00 0.00 -1.09 0.00 0.00 33.01 29.16 1k5r s GLN 40 CO 0.00 0.62 0.00 -0.25 -1.32 0.00 0.00 175.29 174.34 1k5r n ASP 41 N 1.05 -0.13 0.08 12.60 8.00 -1.26 -4.95 116.55 131.95 1k5r n ASP 41 Ca -0.12 0.48 -0.06 0.00 0.71 0.00 0.00 54.79 55.79 1k5r n ASP 41 Cb 0.52 0.57 0.09 0.00 -0.02 0.00 0.00 41.12 42.28 1k5r n ASP 41 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1k5r h PRO 42 N 0.00 0.23 0.00 -0.24 0.13 -1.94 -3.46 132.00 126.72 1k5r h PRO 42 Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1k5r h PRO 42 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1k5r h PRO 42 CO 0.00 0.81 0.00 -2.13 -0.23 0.00 0.00 178.00 176.45 1k5r n ARG 43 N -3.82 0.00 0.00 0.86 0.63 -1.26 -4.69 116.66 108.38 1k5r n ARG 43 Ca -0.03 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.94 1k5r n ARG 43 Cb 0.66 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.60 1k5r n ARG 43 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75