#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9r s GLU 6 N 0.00 1.91 0.03 3.97 2.02 -1.26 -5.13 118.70 120.23 1k9r s GLU 6 Ca 0.00 -1.18 0.05 0.00 0.02 0.00 0.00 54.97 53.85 1k9r s GLU 6 Cb 0.00 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 1k9r s GLU 6 CO 0.00 0.47 -0.14 0.96 0.02 0.00 0.00 175.26 176.57 1k9r s ILE 7 N -1.31 1.08 0.88 -1.63 -4.36 -1.26 -5.15 121.20 109.46 1k9r s ILE 7 Ca 0.20 -0.90 -0.15 0.00 -0.26 0.00 0.00 60.65 59.55 1k9r s ILE 7 Cb -0.10 -0.97 0.22 0.00 1.25 0.00 0.00 42.46 42.86 1k9r s ILE 7 CO 0.12 0.07 0.88 -0.81 0.24 0.00 0.00 174.94 175.44 1k9r n PRO 8 N 2.10 -2.19 -2.35 0.37 -0.04 -1.26 -5.01 135.00 126.63 1k9r n PRO 8 Ca -0.17 -1.40 -0.20 0.00 -0.04 0.00 0.00 63.50 61.69 1k9r n PRO 8 Cb 0.55 -1.19 0.02 0.00 -0.04 0.00 0.00 33.50 32.84 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 -4.21 4.01 0.00 3.54 -0.08 -1.26 -4.75 116.55 113.79 1k9r n ASP 9 Ca 0.12 -3.38 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 1k9r n ASP 9 Cb 0.45 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1k9r n ASP 9 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1k9r n ASP 10 N -0.56 1.57 -4.62 1.67 2.03 -1.26 -5.01 116.55 110.38 1k9r n ASP 10 Ca 0.33 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.22 1k9r n ASP 10 Cb 0.83 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.21 1k9r n ASP 10 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1k9r s VAL 11 N -1.50 3.41 0.00 5.18 1.01 -1.26 -4.98 120.40 122.26 1k9r s VAL 11 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1k9r s VAL 11 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1k9r s VAL 11 CO 0.00 -0.24 0.00 -0.81 0.00 0.00 0.00 175.10 174.05 1k9r n PRO 12 N 8.12 1.18 -1.59 2.72 -0.04 -1.26 -4.94 135.00 139.20 1k9r n PRO 12 Ca 0.22 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.29 1k9r n PRO 12 Cb 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 1k9r n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k9r n LEU 13 N 0.00 2.68 0.00 1.53 4.32 -1.26 -4.98 117.00 119.29 1k9r n LEU 13 Ca 0.00 0.89 0.00 0.00 -0.02 0.00 0.00 56.01 56.88 1k9r n LEU 13 Cb 0.00 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 40.47 1k9r n LEU 13 CO 0.00 -1.92 0.00 -0.81 -1.22 0.00 0.00 177.39 173.44 1k9r n PRO 14 N -0.33 0.26 -1.44 3.23 -0.04 -1.26 -4.94 135.00 130.47 1k9r n PRO 14 Ca 0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 1k9r n PRO 14 Cb 0.44 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.04 1k9r n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k9r s ALA 15 N -3.27 1.60 -0.44 0.55 0.00 -1.26 -3.56 121.76 115.38 1k9r s ALA 15 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1k9r s ALA 15 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1k9r s ALA 15 CO 0.00 -2.38 0.00 0.41 0.00 0.00 0.00 175.76 173.79 1k9r n GLY 16 N -1.91 0.53 3.50 0.00 0.00 -1.26 -4.87 105.19 101.17 1k9r n GLY 16 Ca 0.06 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.63 2.67 -0.31 1.61 0.52 -1.23 0.98 118.94 121.54 1k9r s TRP 17 Ca 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 56.10 55.91 1k9r s TRP 17 Cb 0.00 -1.52 0.11 0.00 -1.15 0.00 0.00 33.47 30.91 1k9r s TRP 17 CO 0.00 0.28 0.15 -1.21 0.02 0.00 0.00 176.95 176.19 1k9r s GLU 18 N -1.35 0.37 0.01 4.98 8.01 -0.11 -4.93 118.70 125.68 1k9r s GLU 18 Ca 0.15 -0.83 -0.30 0.00 0.01 0.00 0.00 54.97 54.00 1k9r s GLU 18 Cb -0.11 -1.32 -0.08 0.00 -4.31 0.00 0.00 34.13 28.31 1k9r s GLU 18 CO 0.05 -1.07 1.85 0.00 0.01 0.00 0.00 175.26 176.11 1k9r s MET 19 N 1.74 4.16 0.00 1.61 0.23 -1.26 -1.11 119.30 124.67 1k9r s MET 19 Ca 0.12 2.47 0.00 0.00 -1.03 0.00 0.00 55.69 57.25 1k9r s MET 19 Cb -0.18 -4.06 0.00 0.00 -1.53 0.00 0.00 34.83 29.06 1k9r s MET 19 CO -0.25 -0.91 0.00 0.00 -2.03 0.00 0.00 175.02 171.83 1k9r n ALA 20 N 7.26 0.00 -2.62 3.16 0.00 0.15 -4.90 120.51 123.55 1k9r n ALA 20 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1k9r n ALA 20 Cb 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.71 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 0.61 1.34 0.00 0.00 1.02 -1.26 0.74 119.74 122.19 1k9r s LYS 21 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1k9r s LYS 21 Cb 0.00 -1.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 1k9r s LYS 21 CO 0.00 0.31 0.00 -2.37 -0.92 0.00 0.00 175.35 172.37 1k9r n THR 22 N 2.80 0.00 -1.41 2.17 5.66 -0.69 -4.84 114.28 117.97 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 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1k9r n THR 22 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1k9r n SER 23 N 0.00 0.00 0.04 1.09 2.88 -1.26 -3.17 113.62 113.19 1k9r n SER 23 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1k9r n SER 23 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1k9r n SER 23 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1k9r n SER 24 N -3.43 0.63 0.00 -3.46 7.64 -1.26 -4.84 113.62 108.90 1k9r n SER 24 Ca 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1k9r n SER 24 Cb 0.00 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1k9r n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k9r n GLY 25 N 1.36 -1.39 3.65 0.23 0.00 -1.19 -5.17 105.19 102.67 1k9r n GLY 25 Ca 0.02 0.93 -0.02 0.00 0.00 0.00 0.00 46.02 46.95 1k9r n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k9r s GLN 26 N 0.00 0.16 -0.34 1.61 -1.52 -1.23 -5.02 119.66 113.32 1k9r s GLN 26 Ca 0.00 0.22 -0.29 0.00 -1.95 0.00 0.00 55.36 53.34 1k9r s GLN 26 Cb 0.00 0.06 0.02 0.00 -0.22 0.00 0.00 33.01 32.87 1k9r s GLN 26 CO 0.00 -0.02 1.08 1.03 -0.25 0.00 0.00 175.29 177.12 1k9r s ARG 27 N 0.49 4.03 0.55 2.91 0.52 -1.26 -1.70 118.95 124.49 1k9r s ARG 27 Ca 0.01 1.01 0.08 0.00 -0.52 0.00 0.00 55.73 56.30 1k9r s ARG 27 Cb -0.04 -3.76 0.06 0.00 0.52 0.00 0.00 34.95 31.74 1k9r s ARG 27 CO -0.13 -0.95 0.63 1.52 0.02 0.00 0.00 175.30 176.39 1k9r s TYR 28 N 3.73 1.61 -0.32 -0.53 1.13 0.23 -4.73 117.35 118.47 1k9r s TYR 28 Ca 0.45 -0.74 0.02 0.00 -1.41 0.00 0.00 57.07 55.39 1k9r s TYR 28 Cb -0.12 -2.12 0.10 0.00 -1.10 0.00 0.00 41.96 38.73 1k9r s TYR 28 CO 0.17 -0.84 0.07 -0.06 -2.51 0.00 0.00 175.55 172.38 1k9r s PHE 29 N -2.68 2.79 -0.41 -3.49 0.40 0.31 0.32 117.98 115.22 1k9r s PHE 29 Ca 0.51 -2.39 -0.28 0.00 -0.60 0.00 0.00 56.93 54.17 1k9r s PHE 29 Cb -0.05 -2.34 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 1k9r s PHE 29 CO 0.32 -0.91 1.71 -1.17 0.70 0.00 0.00 175.22 175.87 1k9r s LEU 30 N 1.24 3.48 -0.52 -0.37 2.96 -0.27 -1.77 118.68 123.43 1k9r s LEU 30 Ca 0.10 0.98 -0.26 0.00 -0.22 0.00 0.00 54.13 54.73 1k9r s LEU 30 Cb -0.18 -3.32 0.03 0.00 0.50 0.00 0.00 46.19 43.22 1k9r s LEU 30 CO -0.16 -1.77 1.03 0.21 -1.32 0.00 0.00 176.35 174.34 1k9r s ASN 31 N 5.91 6.45 0.00 3.68 3.84 0.33 -0.93 114.94 134.23 1k9r s ASN 31 Ca 0.72 0.02 0.31 0.00 0.21 0.00 0.00 52.86 54.12 1k9r s ASN 31 Cb -0.18 -2.49 1.71 0.00 -0.55 0.00 0.00 41.25 39.74 1k9r s ASN 31 CO 0.31 -1.25 2.11 1.41 -2.79 0.00 0.00 177.10 176.89 1k9r n HIS 32 N 7.69 0.00 -0.07 0.43 8.25 0.28 -1.18 115.22 130.61 1k9r n HIS 32 Ca 0.06 -0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 1k9r n HIS 32 Cb 0.48 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 1k9r n HIS 32 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1k9r n ILE 33 N -0.76 1.42 0.44 1.59 5.41 -1.21 -4.32 119.36 121.93 1k9r n ILE 33 Ca 0.23 0.21 0.07 0.00 1.00 0.00 0.00 62.75 64.26 1k9r n ILE 33 Cb 0.16 -2.38 0.21 0.00 -0.71 0.00 0.00 39.64 36.91 1k9r n ILE 33 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1k9r n ASP 34 N -4.58 2.65 -3.30 4.38 9.92 -1.25 -4.97 116.55 119.40 1k9r n ASP 34 Ca -0.08 -2.06 -0.17 0.00 -0.53 0.00 0.00 54.79 51.94 1k9r n ASP 34 Cb 0.30 -0.35 0.01 0.00 -0.64 0.00 0.00 41.12 40.45 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k9r n GLN 35 N 0.81 -1.77 -3.84 -1.24 1.13 -0.33 -5.01 117.38 107.14 1k9r n GLN 35 Ca 0.16 1.44 -0.09 0.00 -1.94 0.00 0.00 57.00 56.57 1k9r n GLN 35 Cb 0.44 -4.01 0.01 0.00 0.11 0.00 0.00 30.24 26.79 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1k9r s THR 36 N -2.57 0.00 -0.14 5.09 -4.23 -0.58 -4.96 115.64 108.25 1k9r s THR 36 Ca 0.15 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.58 1k9r s THR 36 Cb -0.03 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.20 1k9r s THR 36 CO 0.82 0.00 0.03 0.42 -0.54 0.00 0.00 174.62 175.35 1k9r s THR 37 N -2.73 0.36 -0.04 3.99 -4.23 -1.26 0.12 115.64 111.85 1k9r s THR 37 Ca 0.16 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.50 1k9r s THR 37 Cb -0.05 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 1k9r s THR 37 CO 0.11 -0.04 -0.19 0.28 -0.54 0.00 0.00 174.62 174.24 1k9r s THR 38 N 1.95 2.66 0.35 3.99 -1.32 -0.73 -4.82 115.64 117.72 1k9r s THR 38 Ca 0.02 -0.87 0.09 0.00 -1.21 0.00 0.00 61.69 59.71 1k9r s THR 38 Cb -0.15 -2.00 0.11 0.00 -1.51 0.00 0.00 72.50 68.94 1k9r s THR 38 CO -0.07 0.58 1.83 -0.50 -2.21 0.00 0.00 174.62 174.25 1k9r h TRP 39 N 5.49 0.24 -2.55 9.09 4.06 -1.88 0.88 115.95 131.29 1k9r h TRP 39 Ca -0.44 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.47 1k9r h TRP 39 Cb 1.14 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1k9r h TRP 39 CO 0.46 0.46 0.00 1.04 -3.56 0.00 0.00 178.44 176.84 1k9r n GLN 40 N -4.17 2.70 -4.32 0.49 6.02 -1.26 -4.50 117.38 112.33 1k9r n GLN 40 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 1k9r n GLN 40 Cb 0.36 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.51 1k9r n GLN 40 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1k9r s ASP 41 N -1.00 2.41 0.32 1.08 -4.77 -1.26 -4.50 116.67 108.95 1k9r s ASP 41 Ca 0.00 -1.00 0.00 0.00 -3.30 0.00 0.00 52.55 48.25 1k9r s ASP 41 Cb 0.00 -0.11 0.00 0.00 -1.09 0.00 0.00 42.92 41.72 1k9r s ASP 41 CO 0.00 -0.19 0.00 -0.81 0.70 0.00 0.00 175.17 174.87 1k9r n PRO 42 N -0.27 0.44 0.00 2.11 -0.04 -1.26 -4.46 135.00 131.52 1k9r n PRO 42 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1k9r n PRO 42 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1k9r n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1k9r n ARG 43 N -0.44 0.00 0.00 0.54 1.74 -1.26 -4.97 116.66 112.27 1k9r n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1k9r n ARG 43 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1k9r n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74