#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 2.55 -0.37 -1.08 0.41 -1.26 -5.06 118.70 113.89 1k5r s GLU 6 Ca 0.00 -1.52 0.08 0.00 -0.41 0.00 0.00 54.97 53.12 1k5r s GLU 6 Cb 0.00 -2.48 0.34 0.00 -1.78 0.00 0.00 34.13 30.21 1k5r s GLU 6 CO 0.00 -0.34 1.33 1.51 -0.49 0.00 0.00 175.26 177.26 1k5r n ILE 7 N -1.74 0.00 0.00 -1.63 0.13 -1.26 -4.93 119.36 109.93 1k5r n ILE 7 Ca 0.06 -1.27 0.00 0.00 -1.10 0.00 0.00 62.75 60.43 1k5r n ILE 7 Cb 0.61 0.93 0.00 0.00 -0.84 0.00 0.00 39.64 40.34 1k5r n ILE 7 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1k5r n PRO 8 N -0.73 0.00 0.00 9.51 -0.04 -1.26 -4.92 135.00 137.56 1k5r n PRO 8 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1k5r n PRO 8 Cb 0.82 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 1k5r n PRO 8 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1k5r n ASP 9 N -0.09 0.51 -2.88 3.54 5.75 -1.26 -4.87 116.55 117.24 1k5r n ASP 9 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.46 1k5r n ASP 9 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1k5r n ASP 9 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1k5r n ASP 10 N -1.73 7.08 -4.60 -1.12 8.00 -1.26 -4.99 116.55 117.92 1k5r n ASP 10 Ca 0.00 -3.24 -0.41 0.00 0.71 0.00 0.00 54.79 51.85 1k5r n ASP 10 Cb 0.07 -1.26 0.02 0.00 -0.02 0.00 0.00 41.12 39.92 1k5r n ASP 10 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k5r n VAL 11 N 1.03 2.53 -0.97 2.53 0.31 -1.26 -4.76 118.33 117.74 1k5r n VAL 11 Ca 0.53 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 64.06 1k5r n VAL 11 Cb 0.42 -1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 32.21 1k5r n VAL 11 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1k5r n PRO 12 N 0.04 2.18 -1.59 5.55 -0.04 -1.26 -4.93 135.00 134.95 1k5r n PRO 12 Ca 0.10 -1.71 -0.38 0.00 -0.04 0.00 0.00 63.50 61.47 1k5r n PRO 12 Cb 0.40 -2.66 0.05 0.00 -0.04 0.00 0.00 33.50 31.25 1k5r n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k5r n LEU 13 N 5.06 3.09 -4.73 1.53 4.77 -1.26 -4.88 117.00 120.58 1k5r n LEU 13 Ca 0.50 0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 56.87 1k5r n LEU 13 Cb 0.23 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1k5r n LEU 13 CO 0.82 -2.06 1.05 -2.16 -1.33 0.00 0.00 177.39 173.70 1k5r s PRO 14 N -2.59 4.33 0.00 3.23 0.04 -1.26 -4.88 135.00 133.87 1k5r s PRO 14 Ca 0.74 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1k5r s PRO 14 Cb -0.43 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1k5r s PRO 14 CO 0.49 -0.38 0.00 0.00 0.04 0.00 0.00 177.00 177.15 1k5r n ALA 15 N 3.34 0.00 -1.38 8.56 0.00 -1.26 -1.69 120.51 128.08 1k5r n ALA 15 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1k5r n ALA 15 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1k5r n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k5r n GLY 16 N 0.00 4.10 3.87 0.00 0.00 -1.26 -4.94 105.19 106.96 1k5r n GLY 16 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 0.66 3.57 -0.05 1.61 0.52 -0.68 -4.81 118.94 119.75 1k5r s TRP 17 Ca 0.65 1.29 0.04 0.00 0.02 0.00 0.00 56.10 58.10 1k5r s TRP 17 Cb 0.25 -2.70 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 1k5r s TRP 17 CO -0.07 -0.54 -0.16 -2.00 0.02 0.00 0.00 176.95 174.19 1k5r s GLU 18 N -4.77 2.53 -0.10 4.98 2.56 -1.20 -4.98 118.70 117.72 1k5r s GLU 18 Ca 0.55 -0.74 0.03 0.00 0.00 0.00 0.00 54.97 54.81 1k5r s GLU 18 Cb -0.11 -2.34 0.01 0.00 2.00 0.00 0.00 34.13 33.69 1k5r s GLU 18 CO 0.46 0.56 -0.19 0.00 -0.56 0.00 0.00 175.26 175.53 1k5r s MET 19 N -0.57 2.55 0.10 4.30 0.23 -1.26 0.81 119.30 125.45 1k5r s MET 19 Ca 0.08 -0.69 0.00 0.00 -1.03 0.00 0.00 55.69 54.05 1k5r s MET 19 Cb -0.11 -2.04 -0.00 0.00 -1.53 0.00 0.00 34.83 31.15 1k5r s MET 19 CO 0.01 0.04 0.01 0.00 -2.03 0.00 0.00 175.02 173.05 1k5r n ALA 20 N 3.89 0.10 -2.37 3.16 0.00 -1.17 -4.78 120.51 119.34 1k5r n ALA 20 Ca -0.20 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.50 1k5r n ALA 20 Cb 0.52 0.26 -0.15 0.00 0.00 0.00 0.00 19.45 20.08 1k5r n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k5r s LYS 21 N -2.36 1.77 0.31 0.00 1.02 -1.26 -3.54 119.74 115.68 1k5r s LYS 21 Ca 0.01 -1.04 -0.28 0.00 0.02 0.00 0.00 55.97 54.68 1k5r s LYS 21 Cb 0.00 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.33 1k5r s LYS 21 CO 0.01 0.49 1.11 0.95 -0.92 0.00 0.00 175.35 176.99 1k5r s THR 22 N -0.76 3.44 -0.58 2.17 -4.23 -1.26 -5.05 115.64 109.37 1k5r s THR 22 Ca 0.11 1.38 -0.04 0.00 -1.18 0.00 0.00 61.69 61.96 1k5r s THR 22 Cb -0.10 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1k5r s THR 22 CO 0.01 0.28 1.77 -1.54 -0.54 0.00 0.00 174.62 174.60 1k5r n SER 23 N 0.89 3.33 -0.99 3.99 3.41 -1.26 -5.05 113.62 117.94 1k5r n SER 23 Ca 0.00 -2.19 0.10 0.00 -0.26 0.00 0.00 58.87 56.52 1k5r n SER 23 Cb 0.45 -0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 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 3.74 -1.39 3.27 5.00 0.00 -1.26 -5.27 105.19 109.28 1k5r n GLY 25 Ca 0.30 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.17 -1.54 -0.92 1.61 -0.06 -1.26 -4.95 117.38 107.09 1k5r n GLN 26 Ca -0.02 1.35 -0.30 0.00 -2.00 0.00 0.00 57.00 56.04 1k5r n GLN 26 Cb 0.60 -4.54 0.24 0.00 -4.06 0.00 0.00 30.24 22.48 1k5r n GLN 26 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 1k5r s ARG 27 N -3.49 -1.23 0.15 3.69 1.70 -1.26 -4.59 118.95 113.93 1k5r s ARG 27 Ca 0.05 0.15 -0.24 0.00 -0.47 0.00 0.00 55.73 55.22 1k5r s ARG 27 Cb -0.01 -1.58 0.07 0.00 -0.57 0.00 0.00 34.95 32.87 1k5r s ARG 27 CO 0.80 -3.76 1.02 1.52 -1.08 0.00 0.00 175.30 173.80 1k5r s TYR 28 N -2.82 -0.04 -1.03 5.89 1.13 -1.23 -4.99 117.35 114.26 1k5r s TYR 28 Ca 0.69 -0.29 -0.04 0.00 -1.41 0.00 0.00 57.07 56.02 1k5r s TYR 28 Cb -0.13 0.66 0.29 0.00 -1.10 0.00 0.00 41.96 41.67 1k5r s TYR 28 CO 0.57 -0.82 1.23 1.19 -2.51 0.00 0.00 175.55 175.21 1k5r n PHE 29 N -0.57 3.48 -1.42 -3.49 3.72 -1.26 -3.04 117.46 114.88 1k5r n PHE 29 Ca -0.05 -3.29 -0.17 0.00 -0.05 0.00 0.00 57.45 53.89 1k5r n PHE 29 Cb 0.60 -1.31 -0.17 0.00 -0.94 0.00 0.00 39.48 37.66 1k5r n PHE 29 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1k5r n LEU 30 N 1.78 -1.26 -4.76 4.37 7.94 0.24 -3.87 117.00 121.44 1k5r n LEU 30 Ca 0.25 -0.81 -0.41 0.00 -1.11 0.00 0.00 56.01 53.92 1k5r n LEU 30 Cb 0.36 -0.66 -0.01 0.00 0.53 0.00 0.00 43.42 43.64 1k5r n LEU 30 CO 0.58 -1.61 1.21 -3.20 -1.11 0.00 0.00 177.39 173.26 1k5r n ASN 31 N 6.65 3.86 -0.29 1.96 5.15 -1.23 -3.25 115.26 128.11 1k5r n ASN 31 Ca 0.54 1.18 0.06 0.00 -0.60 0.00 0.00 54.58 55.76 1k5r n ASN 31 Cb 0.23 -1.61 0.09 0.00 -0.53 0.00 0.00 39.78 37.97 1k5r n ASN 31 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1k5r n HIS 32 N 1.51 0.00 0.02 1.20 -0.00 -1.26 -3.76 115.22 112.94 1k5r n HIS 32 Ca 0.06 -0.66 -0.01 0.00 -0.00 0.00 0.00 57.72 57.11 1k5r n HIS 32 Cb 0.38 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.99 30.24 1k5r n HIS 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1k5r n ILE 33 N -0.86 0.91 -0.03 3.57 5.41 -1.26 -4.95 119.36 122.15 1k5r n ILE 33 Ca 0.10 0.26 -0.02 0.00 1.00 0.00 0.00 62.75 64.09 1k5r n ILE 33 Cb 0.68 -1.61 -0.01 0.00 -0.71 0.00 0.00 39.64 37.99 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 -3.42 0.78 0.00 4.38 2.03 -1.26 -5.08 116.55 113.98 1k5r n ASP 34 Ca -0.02 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1k5r n ASP 34 Cb 0.19 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -3.28 0.00 -3.62 -0.67 1.13 -1.26 -5.16 117.38 104.52 1k5r n GLN 35 Ca -0.04 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.88 1k5r n GLN 35 Cb 0.13 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.42 1k5r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1k5r s THR 36 N 2.17 0.03 0.00 5.09 -4.23 -1.25 -4.20 115.64 113.26 1k5r s THR 36 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1k5r s THR 36 Cb 0.00 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.96 1k5r s THR 36 CO 0.00 -0.15 0.00 0.35 -0.54 0.00 0.00 174.62 174.28 1k5r n THR 37 N 0.83 0.00 0.08 3.99 -2.24 -1.25 -4.45 114.28 111.24 1k5r n THR 37 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1k5r n THR 37 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1k5r n THR 37 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k5r n THR 38 N 0.00 0.00 -1.96 4.28 -2.24 -1.26 -3.99 114.28 109.10 1k5r n THR 38 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1k5r n THR 38 Cb 0.00 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 1k5r n THR 38 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1k5r n TRP 39 N -2.96 -0.82 -1.95 4.78 5.03 -1.26 -4.69 117.44 115.57 1k5r n TRP 39 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 1k5r n TRP 39 Cb 0.00 -2.97 0.00 0.00 -1.03 0.00 0.00 31.31 27.31 1k5r n TRP 39 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1k5r n GLN 40 N -2.46 0.00 -3.01 -0.99 10.64 -1.26 -5.07 117.38 115.23 1k5r n GLN 40 Ca -0.16 -0.47 -0.10 0.00 -1.83 0.00 0.00 57.00 54.44 1k5r n GLN 40 Cb 0.57 -0.25 0.01 0.00 -0.86 0.00 0.00 30.24 29.71 1k5r n GLN 40 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1k5r n ASP 41 N 0.00 -7.21 0.18 2.61 2.03 -1.26 -4.86 116.55 108.03 1k5r n ASP 41 Ca 0.00 0.66 0.04 0.00 0.52 0.00 0.00 54.79 56.01 1k5r n ASP 41 Cb 0.59 -3.82 0.30 0.00 -0.72 0.00 0.00 41.12 37.46 1k5r n ASP 41 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1k5r h PRO 42 N 2.71 0.00 0.00 -0.67 0.13 -1.97 -3.43 132.00 128.76 1k5r h PRO 42 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1k5r h PRO 42 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1k5r h PRO 42 CO 0.13 0.43 0.00 -2.13 -0.23 0.00 0.00 178.00 176.20 1k5r n ARG 43 N -3.61 0.00 0.00 0.86 0.63 -1.26 -4.99 116.66 108.29 1k5r n ARG 43 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1k5r n ARG 43 Cb 0.53 -0.01 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1k5r n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29