#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9r h GLU 6 N 0.00 0.00 -4.64 -4.13 9.09 -2.10 -3.42 114.58 109.38 1k9r h GLU 6 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 1k9r h GLU 6 Cb 0.00 0.00 -0.38 0.00 -1.65 0.00 0.00 28.75 26.72 1k9r h GLU 6 CO 0.00 0.07 -0.67 0.42 0.05 0.00 0.00 179.01 178.88 1k9r s ILE 7 N -3.25 2.62 0.07 -1.06 -1.09 -1.26 -5.02 121.20 112.21 1k9r s ILE 7 Ca 0.01 -2.17 -0.01 0.00 -2.23 0.00 0.00 60.65 56.25 1k9r s ILE 7 Cb 0.09 -2.84 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 1k9r s ILE 7 CO 0.77 -0.57 0.07 -0.81 -1.23 0.00 0.00 174.94 173.17 1k9r n PRO 8 N 4.39 -0.92 -2.35 2.79 -0.04 -1.26 -5.01 135.00 132.60 1k9r n PRO 8 Ca 0.00 -0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.18 1k9r n PRO 8 Cb 0.42 -0.09 0.03 0.00 -0.04 0.00 0.00 33.50 33.81 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 -3.10 3.75 0.00 3.54 -0.08 -1.26 -4.93 116.55 114.48 1k9r n ASP 9 Ca 0.01 -3.21 0.00 0.00 -1.51 0.00 0.00 54.79 50.08 1k9r n ASP 9 Cb 0.03 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.09 1k9r n ASP 9 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1k9r n ASP 10 N -0.61 0.00 -3.84 1.67 8.00 -1.26 -4.95 116.55 115.56 1k9r n ASP 10 Ca 0.31 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.81 1k9r n ASP 10 Cb 0.87 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.82 1k9r n ASP 10 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1k9r s VAL 11 N -0.29 0.09 0.00 2.53 0.11 -1.26 -5.10 120.40 116.47 1k9r s VAL 11 Ca 0.00 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1k9r s VAL 11 Cb 0.00 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.71 1k9r s VAL 11 CO 0.00 0.08 0.03 -0.81 -3.33 0.00 0.00 175.10 171.07 1k9r n PRO 12 N 3.63 0.00 -4.86 1.54 -0.04 -1.26 -4.91 135.00 129.10 1k9r n PRO 12 Ca -0.20 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.94 1k9r n PRO 12 Cb 0.55 -0.27 -0.13 0.00 -0.04 0.00 0.00 33.50 33.60 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 -0.20 2.58 0.00 1.53 1.02 -1.26 -4.51 118.68 117.84 1k9r s LEU 13 Ca 0.00 -0.33 -0.17 0.00 0.02 0.00 0.00 54.13 53.65 1k9r s LEU 13 Cb 0.00 -1.51 0.24 0.00 0.02 0.00 0.00 46.19 44.94 1k9r s LEU 13 CO 0.00 0.30 1.04 -0.81 0.02 0.00 0.00 176.35 176.90 1k9r n PRO 14 N 2.01 -2.15 -1.06 1.29 -0.04 -1.26 -4.96 135.00 128.82 1k9r n PRO 14 Ca -0.17 -1.63 -0.31 0.00 -0.04 0.00 0.00 63.50 61.35 1k9r n PRO 14 Cb 0.52 -1.33 0.13 0.00 -0.04 0.00 0.00 33.50 32.78 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 -3.41 1.81 -0.64 0.55 0.00 -1.26 -3.45 121.76 115.35 1k9r s ALA 15 Ca 0.63 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1k9r s ALA 15 Cb -0.04 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1k9r s ALA 15 CO 0.47 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 174.41 1k9r n GLY 16 N -0.72 0.84 3.57 0.00 0.00 -1.26 -4.79 105.19 102.83 1k9r n GLY 16 Ca 0.09 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.21 2.63 -0.31 1.61 0.52 -1.22 -0.81 118.94 119.13 1k9r s TRP 17 Ca 0.00 -0.23 -0.02 0.00 0.02 0.00 0.00 56.10 55.87 1k9r s TRP 17 Cb 0.00 -1.27 0.12 0.00 -1.15 0.00 0.00 33.47 31.17 1k9r s TRP 17 CO 0.00 0.53 0.18 -1.21 0.02 0.00 0.00 176.95 176.47 1k9r s GLU 18 N -2.92 0.34 0.10 4.98 8.01 0.18 -4.94 118.70 124.47 1k9r s GLU 18 Ca 0.25 -0.80 -0.31 0.00 0.01 0.00 0.00 54.97 54.13 1k9r s GLU 18 Cb -0.08 -1.15 -0.09 0.00 -4.31 0.00 0.00 34.13 28.49 1k9r s GLU 18 CO 0.15 -1.10 1.74 0.00 0.01 0.00 0.00 175.26 176.07 1k9r s MET 19 N 1.73 4.17 0.00 1.61 0.23 -1.26 -1.10 119.30 124.67 1k9r s MET 19 Ca 0.13 2.47 0.00 0.00 -1.03 0.00 0.00 55.69 57.26 1k9r s MET 19 Cb -0.18 -3.57 0.00 0.00 -1.53 0.00 0.00 34.83 29.54 1k9r s MET 19 CO -0.22 -0.79 0.00 0.00 -2.03 0.00 0.00 175.02 171.99 1k9r n ALA 20 N 5.56 0.00 -2.89 3.16 0.00 0.29 -4.91 120.51 121.72 1k9r n ALA 20 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1k9r n ALA 20 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1k9r n ALA 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1k9r s LYS 21 N 4.24 1.09 0.21 0.00 0.00 -1.25 -1.18 119.74 122.84 1k9r s LYS 21 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 55.97 55.13 1k9r s LYS 21 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 37.83 38.24 1k9r s LYS 21 CO 0.00 -0.41 0.18 -2.37 0.00 0.00 0.00 175.35 172.75 1k9r n THR 22 N -0.20 0.00 0.00 3.79 5.66 -0.71 -4.68 114.28 118.14 1k9r n THR 22 Ca -0.13 -1.56 0.00 0.00 -3.05 0.00 0.00 64.05 59.31 1k9r n THR 22 Cb 0.63 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 70.19 1k9r n THR 22 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1k9r n SER 23 N -2.15 0.00 0.00 1.09 3.41 -1.26 -3.77 113.62 110.94 1k9r n SER 23 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1k9r n SER 23 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1k9r n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1k9r n SER 24 N 1.74 0.00 -0.00 4.04 7.64 -1.26 -4.99 113.62 120.79 1k9r n SER 24 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k9r n SER 24 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.95 0.24 3.63 0.23 0.00 -1.25 -5.03 105.19 106.96 1k9r n GLY 25 Ca 0.00 -0.02 -0.51 0.00 0.00 0.00 0.00 46.02 45.50 1k9r n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k9r n GLN 26 N -1.38 1.45 -2.56 1.61 1.13 -1.26 -4.77 117.38 111.61 1k9r n GLN 26 Ca -0.00 0.52 -0.41 0.00 -1.94 0.00 0.00 57.00 55.18 1k9r n GLN 26 Cb 0.01 -2.21 -0.04 0.00 0.11 0.00 0.00 30.24 28.11 1k9r n GLN 26 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1k9r s ARG 27 N 1.06 4.66 0.25 -1.09 0.52 -1.26 -1.73 118.95 121.37 1k9r s ARG 27 Ca 0.85 1.68 0.02 0.00 -0.52 0.00 0.00 55.73 57.77 1k9r s ARG 27 Cb -0.88 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 31.28 1k9r s ARG 27 CO 0.47 0.21 0.05 1.52 0.02 0.00 0.00 175.30 177.57 1k9r s TYR 28 N -0.67 1.59 -0.26 -0.53 1.13 -0.33 -3.93 117.35 114.34 1k9r s TYR 28 Ca 0.46 -1.06 0.02 0.00 -1.41 0.00 0.00 57.07 55.09 1k9r s TYR 28 Cb -0.29 -0.95 0.07 0.00 -1.10 0.00 0.00 41.96 39.69 1k9r s TYR 28 CO 0.36 -0.18 -0.06 -0.06 -2.51 0.00 0.00 175.55 173.09 1k9r s PHE 29 N -3.57 2.94 -0.38 -3.49 0.40 0.11 0.10 117.98 114.09 1k9r s PHE 29 Ca 0.34 -2.17 -0.25 0.00 -0.60 0.00 0.00 56.93 54.24 1k9r s PHE 29 Cb 0.07 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1k9r s PHE 29 CO 0.12 -0.85 0.89 -1.17 0.70 0.00 0.00 175.22 174.90 1k9r s LEU 30 N 1.21 4.04 -0.14 -0.37 2.96 -0.26 -1.96 118.68 124.15 1k9r s LEU 30 Ca -0.05 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1k9r s LEU 30 Cb -0.19 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 1k9r s LEU 30 CO -0.07 -0.84 -0.08 0.54 -1.32 0.00 0.00 176.35 174.59 1k9r s ASN 31 N 1.90 4.48 0.11 3.68 2.20 -0.33 0.51 114.94 127.50 1k9r s ASN 31 Ca 0.36 -0.20 0.16 0.00 -0.94 0.00 0.00 52.86 52.24 1k9r s ASN 31 Cb -0.12 -1.66 -0.09 0.00 -2.00 0.00 0.00 41.25 37.37 1k9r s ASN 31 CO 0.19 0.18 0.99 0.45 -2.94 0.00 0.00 177.10 175.97 1k9r h HIS 32 N 6.58 0.00 -0.82 1.54 3.86 -1.28 -1.02 115.15 124.01 1k9r h HIS 32 Ca -0.30 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.08 1k9r h HIS 32 Cb 1.20 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.56 1k9r h HIS 32 CO 0.52 0.57 0.33 -0.84 0.86 0.00 0.00 177.93 179.38 1k9r h ILE 33 N 0.00 0.57 0.00 2.45 -0.00 -1.86 -2.66 117.51 116.01 1k9r h ILE 33 Ca -0.12 -0.15 0.00 0.00 -0.00 0.00 0.00 64.86 64.59 1k9r h ILE 33 Cb 1.54 0.11 0.00 0.00 -0.00 0.00 0.00 36.82 38.47 1k9r h ILE 33 CO 0.05 0.08 -0.01 0.47 -0.00 0.00 0.00 178.15 178.74 1k9r n ASP 34 N -5.03 1.68 -3.41 2.16 8.00 -1.26 -5.04 116.55 113.67 1k9r n ASP 34 Ca 0.18 -1.92 -0.12 0.00 0.71 0.00 0.00 54.79 53.64 1k9r n ASP 34 Cb 0.52 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9r n GLN 35 N -0.48 -1.43 -3.97 -1.24 6.02 -0.48 -5.00 117.38 110.80 1k9r n GLN 35 Ca 0.01 1.15 -0.13 0.00 -0.01 0.00 0.00 57.00 58.02 1k9r n GLN 35 Cb 0.32 -4.10 -0.01 0.00 1.02 0.00 0.00 30.24 27.47 1k9r n GLN 35 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1k9r s THR 36 N -2.99 0.00 -0.06 5.09 2.01 -0.63 -4.99 115.64 114.08 1k9r s THR 36 Ca 0.00 -1.34 -0.02 0.00 0.31 0.00 0.00 61.69 60.63 1k9r s THR 36 Cb -0.00 -2.79 0.04 0.00 0.01 0.00 0.00 72.50 69.75 1k9r s THR 36 CO 0.82 0.00 0.12 0.42 -0.69 0.00 0.00 174.62 175.29 1k9r s THR 37 N -2.61 -0.12 0.20 -0.82 -4.23 -1.26 -1.19 115.64 105.61 1k9r s THR 37 Ca 0.24 0.26 0.09 0.00 -1.18 0.00 0.00 61.69 61.11 1k9r s THR 37 Cb -0.03 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1k9r s THR 37 CO 0.17 0.11 -0.18 0.28 -0.54 0.00 0.00 174.62 174.46 1k9r s THR 38 N 1.56 1.99 0.01 3.99 -1.32 -0.83 -4.87 115.64 116.19 1k9r s THR 38 Ca -0.04 -2.10 -0.11 0.00 -1.21 0.00 0.00 61.69 58.23 1k9r s THR 38 Cb -0.12 -2.02 -0.05 0.00 -1.51 0.00 0.00 72.50 68.80 1k9r s THR 38 CO -0.05 -0.38 0.35 0.26 -2.21 0.00 0.00 174.62 172.59 1k9r s TRP 39 N -2.33 3.63 -0.89 9.09 0.52 -1.26 0.05 118.94 127.76 1k9r s TRP 39 Ca 0.21 0.79 -0.07 0.00 0.02 0.00 0.00 56.10 57.05 1k9r s TRP 39 Cb -0.05 -2.15 0.00 0.00 -1.15 0.00 0.00 33.47 30.13 1k9r s TRP 39 CO 0.09 0.61 0.67 0.94 0.02 0.00 0.00 176.95 179.28 1k9r n GLN 40 N 1.38 -1.33 -1.56 4.98 -0.06 -1.25 -4.61 117.38 114.93 1k9r n GLN 40 Ca -0.12 0.85 0.02 0.00 -2.00 0.00 0.00 57.00 55.76 1k9r n GLN 40 Cb 0.53 -3.62 -0.01 0.00 -4.06 0.00 0.00 30.24 23.07 1k9r n GLN 40 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1k9r n ASP 41 N -2.37 -8.13 -0.02 1.69 9.92 -1.26 -4.79 116.55 111.58 1k9r n ASP 41 Ca -0.17 1.77 -0.11 0.00 -0.53 0.00 0.00 54.79 55.74 1k9r n ASP 41 Cb 0.61 -5.03 -0.09 0.00 -0.64 0.00 0.00 41.12 35.97 1k9r n ASP 41 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1k9r h PRO 42 N -0.07 -0.07 0.00 -0.24 0.13 -1.81 -3.46 132.00 126.48 1k9r h PRO 42 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1k9r h PRO 42 Cb 1.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1k9r h PRO 42 CO 0.01 0.56 0.00 -2.13 -0.23 0.00 0.00 178.00 176.21 1k9r n ARG 43 N -4.77 0.81 0.00 0.86 0.63 -1.26 -5.03 116.66 107.89 1k9r n ARG 43 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1k9r n ARG 43 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 1k9r n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29