#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9r n GLU 6 N 0.00 2.11 -3.28 3.97 -0.00 -1.26 -4.92 120.64 117.26 1k9r n GLU 6 Ca 0.00 0.77 -0.45 0.00 -0.00 0.00 0.00 57.16 57.48 1k9r n GLU 6 Cb 0.00 -2.56 -0.06 0.00 -0.00 0.00 0.00 31.44 28.82 1k9r n GLU 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1k9r s ILE 7 N 2.03 5.09 0.00 3.84 -1.09 -1.26 -5.05 121.20 124.76 1k9r s ILE 7 Ca 0.84 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 1k9r s ILE 7 Cb -0.70 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 35.93 1k9r s ILE 7 CO 0.43 -0.76 0.00 -0.81 -1.23 0.00 0.00 174.94 172.57 1k9r n PRO 8 N 5.60 -0.03 -3.24 2.79 -0.04 -1.26 -5.00 135.00 133.81 1k9r n PRO 8 Ca -0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.09 1k9r n PRO 8 Cb 0.43 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.83 1k9r n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1k9r n ASP 9 N -1.67 3.18 0.00 3.54 2.03 -1.26 -4.95 116.55 117.42 1k9r n ASP 9 Ca 0.00 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.95 1k9r n ASP 9 Cb 0.00 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1k9r n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1k9r n ASP 10 N 0.59 0.00 -4.90 1.67 9.92 -1.26 -5.00 116.55 117.57 1k9r n ASP 10 Ca 0.28 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.23 1k9r n ASP 10 Cb 0.44 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.88 1k9r n ASP 10 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1k9r s VAL 11 N 0.00 5.32 0.00 2.53 -7.23 -1.26 -5.11 120.40 114.65 1k9r s VAL 11 Ca 0.00 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1k9r s VAL 11 Cb 0.00 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.39 1k9r s VAL 11 CO 0.00 0.21 0.00 -0.81 -0.31 0.00 0.00 175.10 174.19 1k9r n PRO 12 N 0.55 1.37 -2.99 4.82 -0.04 -1.26 -5.07 135.00 132.38 1k9r n PRO 12 Ca -0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 1k9r n PRO 12 Cb 0.52 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 1k9r n PRO 12 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k9r s LEU 13 N 0.00 3.63 0.65 1.53 1.02 -1.26 -5.02 118.68 119.23 1k9r s LEU 13 Ca 0.00 0.16 -0.14 0.00 0.02 0.00 0.00 54.13 54.17 1k9r s LEU 13 Cb 0.00 -3.05 -0.01 0.00 0.02 0.00 0.00 46.19 43.15 1k9r s LEU 13 CO 0.00 -0.74 1.08 -2.16 0.02 0.00 0.00 176.35 174.55 1k9r s PRO 14 N -4.54 2.95 0.99 1.29 0.04 -1.26 -4.96 135.00 129.52 1k9r s PRO 14 Ca 0.50 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1k9r s PRO 14 Cb -0.10 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1k9r s PRO 14 CO 0.37 -1.11 0.14 0.00 0.04 0.00 0.00 177.00 176.44 1k9r n ALA 15 N -2.53 -3.32 -1.01 8.56 0.00 -1.26 -3.03 120.51 117.92 1k9r n ALA 15 Ca 0.09 -0.76 -0.00 0.00 0.00 0.00 0.00 53.44 52.76 1k9r n ALA 15 Cb 0.53 -1.64 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1k9r n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9r n GLY 16 N 1.88 0.47 3.43 0.00 0.00 -1.26 -4.93 105.19 104.78 1k9r n GLY 16 Ca 0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1k9r n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k9r s TRP 17 N -1.95 2.43 -0.43 1.61 0.52 -1.17 -0.72 118.94 119.24 1k9r s TRP 17 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.82 1k9r s TRP 17 Cb 0.00 -1.33 0.14 0.00 -1.15 0.00 0.00 33.47 31.13 1k9r s TRP 17 CO 0.00 0.32 0.25 -1.21 0.02 0.00 0.00 176.95 176.33 1k9r s GLU 18 N -1.90 1.11 0.06 4.98 8.01 0.02 -4.94 118.70 126.04 1k9r s GLU 18 Ca 0.15 -1.90 -0.31 0.00 0.01 0.00 0.00 54.97 52.92 1k9r s GLU 18 Cb -0.10 -2.03 -0.08 0.00 -4.31 0.00 0.00 34.13 27.60 1k9r s GLU 18 CO 0.07 -1.20 1.74 0.00 0.01 0.00 0.00 175.26 175.87 1k9r s MET 19 N 0.42 4.17 0.00 1.61 0.23 -1.26 -1.52 119.30 122.96 1k9r s MET 19 Ca 0.20 2.41 0.00 0.00 -1.03 0.00 0.00 55.69 57.27 1k9r s MET 19 Cb -0.20 -3.73 0.00 0.00 -1.53 0.00 0.00 34.83 29.37 1k9r s MET 19 CO -0.02 -0.80 0.00 0.00 -2.03 0.00 0.00 175.02 172.16 1k9r n ALA 20 N 6.10 0.00 -3.17 3.16 0.00 0.29 -4.94 120.51 121.95 1k9r n ALA 20 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1k9r n ALA 20 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1k9r n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k9r s LYS 21 N 3.18 1.19 0.00 0.00 1.02 -1.26 -1.25 119.74 122.62 1k9r s LYS 21 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.31 1k9r s LYS 21 Cb 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.82 1k9r s LYS 21 CO 0.00 -0.49 0.00 -2.37 -0.92 0.00 0.00 175.35 171.57 1k9r n THR 22 N -0.29 0.00 0.00 2.17 5.66 -0.78 -4.68 114.28 116.36 1k9r n THR 22 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1k9r n THR 22 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1k9r n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1k9r n SER 23 N -1.49 0.00 0.00 1.09 7.64 -1.26 -3.79 113.62 115.82 1k9r n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k9r n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1k9r n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1k9r n SER 24 N 2.09 0.00 -3.19 6.43 2.88 -1.26 -5.02 113.62 115.55 1k9r n SER 24 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1k9r n SER 24 Cb 0.00 0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.46 1k9r n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k9r n GLY 25 N -0.98 2.32 3.54 0.46 0.00 -1.25 -5.08 105.19 104.20 1k9r n GLY 25 Ca 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 1k9r n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k9r s GLN 26 N -0.63 0.36 0.19 1.61 0.74 -1.26 -5.05 119.66 115.62 1k9r s GLN 26 Ca 0.34 0.74 -0.30 0.00 0.05 0.00 0.00 55.36 56.19 1k9r s GLN 26 Cb 0.13 0.27 -0.09 0.00 1.10 0.00 0.00 33.01 34.43 1k9r s GLN 26 CO -0.14 -0.10 1.32 1.03 -0.55 0.00 0.00 175.29 176.85 1k9r s ARG 27 N 1.89 4.38 0.31 1.67 0.52 -1.26 -1.86 118.95 124.60 1k9r s ARG 27 Ca -0.06 2.06 0.04 0.00 -0.52 0.00 0.00 55.73 57.25 1k9r s ARG 27 Cb -0.05 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.16 1k9r s ARG 27 CO -0.16 -0.27 0.03 1.52 0.02 0.00 0.00 175.30 176.44 1k9r s TYR 28 N 0.20 1.93 -0.27 -0.53 1.13 -0.38 -4.64 117.35 114.79 1k9r s TYR 28 Ca 0.57 -0.91 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 1k9r s TYR 28 Cb -0.36 -1.22 0.07 0.00 -1.10 0.00 0.00 41.96 39.34 1k9r s TYR 28 CO 0.38 0.05 -0.05 -0.06 -2.51 0.00 0.00 175.55 173.36 1k9r s PHE 29 N -3.26 3.06 -0.54 -3.49 0.40 0.32 0.11 117.98 114.58 1k9r s PHE 29 Ca 0.34 -2.29 -0.28 0.00 -0.60 0.00 0.00 56.93 54.10 1k9r s PHE 29 Cb 0.08 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1k9r s PHE 29 CO 0.14 -0.87 1.29 -1.17 0.70 0.00 0.00 175.22 175.32 1k9r s LEU 30 N 1.16 3.48 -0.52 -0.37 2.96 -0.58 -1.78 118.68 123.04 1k9r s LEU 30 Ca -0.03 0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.93 1k9r s LEU 30 Cb -0.19 -3.23 0.03 0.00 0.50 0.00 0.00 46.19 43.30 1k9r s LEU 30 CO -0.07 -1.52 1.02 0.21 -1.32 0.00 0.00 176.35 174.67 1k9r s ASN 31 N 3.52 6.46 0.00 3.68 3.84 0.34 -0.80 114.94 131.98 1k9r s ASN 31 Ca 0.49 0.03 0.30 0.00 0.21 0.00 0.00 52.86 53.89 1k9r s ASN 31 Cb -0.09 -2.48 1.54 0.00 -0.55 0.00 0.00 41.25 39.66 1k9r s ASN 31 CO 0.27 -1.23 2.03 1.41 -2.79 0.00 0.00 177.10 176.79 1k9r n HIS 32 N 7.65 0.00 -0.06 0.43 8.25 0.10 -1.12 115.22 130.47 1k9r n HIS 32 Ca 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1k9r n HIS 32 Cb 0.48 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 1k9r n HIS 32 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1k9r h ILE 33 N 0.70 0.00 -0.51 1.59 2.04 -1.89 -3.38 117.51 116.06 1k9r h ILE 33 Ca 0.00 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1k9r h ILE 33 Cb 0.21 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1k9r h ILE 33 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.48 1k9r n ASP 34 N -4.40 3.24 -3.38 1.72 2.03 -1.26 -4.97 116.55 109.53 1k9r n ASP 34 Ca -0.06 -2.15 -0.18 0.00 0.52 0.00 0.00 54.79 52.92 1k9r n ASP 34 Cb 0.21 -0.42 0.01 0.00 -0.72 0.00 0.00 41.12 40.20 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k9r n GLN 35 N 0.93 -1.71 -3.92 -0.67 6.02 -0.28 -5.00 117.38 112.75 1k9r n GLN 35 Ca 0.18 1.33 -0.10 0.00 -0.01 0.00 0.00 57.00 58.41 1k9r n GLN 35 Cb 0.56 -3.75 -0.02 0.00 1.02 0.00 0.00 30.24 28.05 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1k9r s THR 36 N -2.61 0.00 -0.04 5.09 -4.23 -0.57 -4.96 115.64 108.33 1k9r s THR 36 Ca 0.12 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1k9r s THR 36 Cb -0.02 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1k9r s THR 36 CO 0.83 0.00 0.02 0.42 -0.54 0.00 0.00 174.62 175.35 1k9r s THR 37 N -3.25 0.11 0.24 3.99 -4.23 -1.26 0.13 115.64 111.36 1k9r s THR 37 Ca 0.19 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 60.97 1k9r s THR 37 Cb -0.03 -0.26 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 1k9r s THR 37 CO 0.12 0.16 -0.15 0.28 -0.54 0.00 0.00 174.62 174.49 1k9r s THR 38 N 1.41 1.95 -0.19 3.99 -1.32 -0.73 -4.86 115.64 115.88 1k9r s THR 38 Ca -0.04 -2.26 -0.12 0.00 -1.21 0.00 0.00 61.69 58.06 1k9r s THR 38 Cb -0.13 -2.17 -0.21 0.00 -1.51 0.00 0.00 72.50 68.49 1k9r s THR 38 CO -0.03 -0.50 0.14 0.79 -2.21 0.00 0.00 174.62 172.81 1k9r n TRP 39 N -0.48 0.85 -3.30 9.09 7.02 -1.26 0.12 117.44 129.48 1k9r n TRP 39 Ca -0.07 0.26 -0.32 0.00 -1.02 0.00 0.00 57.50 56.36 1k9r n TRP 39 Cb 0.61 -1.10 -0.05 0.00 -2.42 0.00 0.00 31.31 28.34 1k9r n TRP 39 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1k9r s GLN 40 N -2.48 3.82 0.42 -0.99 0.74 -1.26 -4.64 119.66 115.28 1k9r s GLN 40 Ca -0.28 0.35 -0.24 0.00 0.05 0.00 0.00 55.36 55.23 1k9r s GLN 40 Cb 0.08 -2.58 -0.08 0.00 1.10 0.00 0.00 33.01 31.53 1k9r s GLN 40 CO 0.65 0.24 1.15 -0.51 -0.55 0.00 0.00 175.29 176.27 1k9r s ASP 41 N -2.50 6.43 0.78 6.67 1.11 -1.26 -4.94 116.67 122.97 1k9r s ASP 41 Ca 0.49 2.28 0.00 0.00 0.18 0.00 0.00 52.55 55.49 1k9r s ASP 41 Cb -0.11 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1k9r s ASP 41 CO 0.22 -0.73 0.00 -0.81 1.18 0.00 0.00 175.17 175.03 1k9r n PRO 42 N -0.16 -0.38 -1.72 8.23 -0.04 -1.26 -4.04 135.00 135.63 1k9r n PRO 42 Ca 0.05 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 1k9r n PRO 42 Cb 0.48 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.89 1k9r n PRO 42 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1k9r n ARG 43 N -1.08 -1.56 0.00 0.54 0.63 -1.26 -5.04 116.66 108.88 1k9r n ARG 43 Ca 0.00 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1k9r n ARG 43 Cb 0.00 -5.14 0.00 0.00 0.45 0.00 0.00 32.46 27.77 1k9r n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29