#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi7 s ILE 8 N 1.05 2.77 0.00 0.00 2.07 -0.90 -4.83 121.20 121.36 1xi7 s ILE 8 Ca 0.66 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 60.15 1xi7 s ILE 8 Cb -0.39 -3.22 0.00 0.00 0.13 0.00 0.00 42.46 38.99 1xi7 s ILE 8 CO 0.31 -0.33 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1xi7 n GLY 9 N -3.02 -0.26 3.64 1.50 0.00 -1.26 -4.04 105.19 101.75 1xi7 n GLY 9 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1xi7 n GLY 9 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xi7 s HIS 10 N -0.23 -0.62 -0.96 1.61 -3.43 -1.26 -4.93 115.29 105.47 1xi7 s HIS 10 Ca 0.00 1.34 -0.05 0.00 -0.80 0.00 0.00 55.06 55.55 1xi7 s HIS 10 Cb 0.00 0.39 -0.06 0.00 -1.43 0.00 0.00 32.58 31.48 1xi7 s HIS 10 CO 0.00 -0.31 0.85 0.66 -2.00 0.00 0.00 174.74 173.94 1xi7 n TYR 11 N 3.22 -2.39 -4.20 0.38 4.02 0.36 -5.01 117.16 113.55 1xi7 n TYR 11 Ca -0.16 0.84 -0.23 0.00 -0.01 0.00 0.00 57.90 58.34 1xi7 n TYR 11 Cb 0.57 -4.03 -0.06 0.00 -0.02 0.00 0.00 39.34 35.80 1xi7 n TYR 11 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1xi7 s GLN 12 N -4.17 2.46 -0.09 -0.72 -1.52 -0.92 -4.80 119.66 109.90 1xi7 s GLN 12 Ca 0.39 -1.37 -0.30 0.00 -1.95 0.00 0.00 55.36 52.13 1xi7 s GLN 12 Cb -0.05 -2.26 -0.01 0.00 -0.22 0.00 0.00 33.01 30.47 1xi7 s GLN 12 CO 0.70 0.30 1.02 0.15 -0.25 0.00 0.00 175.29 177.21 1xi7 s LYS 13 N -3.76 4.43 -0.12 2.91 1.02 -1.26 0.11 119.74 123.07 1xi7 s LYS 13 Ca 0.33 1.41 0.11 0.00 0.02 0.00 0.00 55.97 57.85 1xi7 s LYS 13 Cb -0.06 -3.54 -0.15 0.00 -0.52 0.00 0.00 37.83 33.56 1xi7 s LYS 13 CO 0.22 -0.30 0.04 0.00 -0.92 0.00 0.00 175.35 174.39 1xi7 h VAL 15 N 0.00 0.00 -0.89 0.00 2.07 -1.91 -3.05 116.25 112.47 1xi7 h VAL 15 Ca -0.34 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.60 1xi7 h VAL 15 Cb 1.77 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 31.30 1xi7 h VAL 15 CO 0.02 0.00 0.75 -3.20 0.02 0.00 0.00 177.57 175.15 1xi7 n ASN 16 N -5.07 7.33 -3.22 0.57 2.85 -1.26 -4.79 115.26 111.67 1xi7 n ASN 16 Ca -0.13 -3.57 0.04 0.00 -0.11 0.00 0.00 54.58 50.80 1xi7 n ASN 16 Cb 0.44 -1.01 -0.03 0.00 1.24 0.00 0.00 39.78 40.42 1xi7 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xi7 s ALA 17 N -3.23 -3.30 -1.05 5.20 0.00 -1.15 -5.07 121.76 113.17 1xi7 s ALA 17 Ca 0.55 1.67 -0.11 0.00 0.00 0.00 0.00 51.96 54.07 1xi7 s ALA 17 Cb 0.43 -2.35 0.25 0.00 0.00 0.00 0.00 23.12 21.45 1xi7 s ALA 17 CO -0.03 -1.19 1.07 0.34 0.00 0.00 0.00 175.76 175.95 1xi7 s ASP 18 N 2.54 7.15 0.09 0.00 2.15 -1.26 -4.11 116.67 123.22 1xi7 s ASP 18 Ca -0.02 -3.28 0.09 0.00 0.43 0.00 0.00 52.55 49.77 1xi7 s ASP 18 Cb -0.06 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 1xi7 s ASP 18 CO -0.14 -0.43 -0.24 -0.54 -0.17 0.00 0.00 175.17 173.66 1xi7 s LYS 19 N -0.52 1.42 -0.03 4.34 1.02 -1.26 -5.11 119.74 119.60 1xi7 s LYS 19 Ca 0.29 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1xi7 s LYS 19 Cb -0.09 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 1xi7 s LYS 19 CO -0.07 0.42 1.34 -1.25 -0.92 0.00 0.00 175.35 174.86 1xi7 s PRO 20 N -1.66 4.30 -0.74 -1.68 0.04 -1.26 -4.95 135.00 129.05 1xi7 s PRO 20 Ca 0.10 1.87 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1xi7 s PRO 20 Cb -0.10 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 30.89 1xi7 s PRO 20 CO 0.04 -0.55 1.24 0.00 0.04 0.00 0.00 177.00 177.76 1xi7 s SER 23 N -2.61 3.14 -0.72 0.00 0.01 -1.26 -4.02 113.70 108.24 1xi7 s SER 23 Ca 0.69 -0.62 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 1xi7 s SER 23 Cb -0.22 -1.47 0.13 0.00 0.21 0.00 0.00 66.02 64.67 1xi7 s SER 23 CO 0.63 0.04 0.85 -0.54 0.41 0.00 0.00 173.24 174.63 1xi7 s LYS 24 N 1.04 3.29 -0.17 12.44 -0.14 0.15 -4.95 119.74 131.40 1xi7 s LYS 24 Ca -0.01 -1.58 -0.17 0.00 -1.36 0.00 0.00 55.97 52.84 1xi7 s LYS 24 Cb -0.14 -4.46 -0.04 0.00 -1.68 0.00 0.00 37.83 31.51 1xi7 s LYS 24 CO -0.07 -1.59 0.45 -0.08 -0.76 0.00 0.00 175.35 173.31 1xi7 s THR 25 N 2.39 5.17 0.59 2.17 -1.32 -1.26 -1.00 115.64 122.38 1xi7 s THR 25 Ca 0.19 0.85 -0.13 0.00 -1.21 0.00 0.00 61.69 61.40 1xi7 s THR 25 Cb -0.16 -3.79 -0.05 0.00 -1.51 0.00 0.00 72.50 66.99 1xi7 s THR 25 CO -0.00 0.26 1.02 -0.69 -2.21 0.00 0.00 174.62 173.00 1xi7 s VAL 26 N 1.14 4.64 0.00 5.08 1.01 0.13 -4.94 120.40 127.45 1xi7 s VAL 26 Ca 0.23 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1xi7 s VAL 26 Cb -0.15 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1xi7 s VAL 26 CO 0.09 -1.01 0.00 -1.14 0.00 0.00 0.00 175.10 173.03 1xi7 n ARG 27 N -2.44 0.29 -1.59 2.72 0.63 -1.26 -4.17 116.66 110.84 1xi7 n ARG 27 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1xi7 n ARG 27 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1xi7 n ARG 27 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1xi7 n TYR 28 N 0.00 -4.20 0.00 -0.14 4.01 -1.26 -4.98 117.16 110.59 1xi7 n TYR 28 Ca 0.00 2.20 0.00 0.00 -0.16 0.00 0.00 57.90 59.94 1xi7 n TYR 28 Cb 0.00 -3.40 0.00 0.00 -0.31 0.00 0.00 39.34 35.63 1xi7 n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xi7 n GLY 29 N -0.04 -0.55 0.15 2.72 0.00 -1.26 -4.67 105.19 101.54 1xi7 n GLY 29 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 1xi7 n GLY 29 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xi7 h ASP 30 N 0.00 0.02 -3.48 1.61 1.82 -2.05 -3.42 116.42 110.93 1xi7 h ASP 30 Ca 0.00 -0.01 -0.61 0.00 -0.39 0.00 0.00 57.03 56.02 1xi7 h ASP 30 Cb 0.00 -0.01 -0.11 0.00 0.68 0.00 0.00 39.33 39.89 1xi7 h ASP 30 CO 0.00 0.58 0.18 -0.44 -1.61 0.00 0.00 179.24 177.95 1xi7 s SER 31 N -6.87 6.57 0.39 2.28 0.01 -1.26 -5.06 113.70 109.77 1xi7 s SER 31 Ca -0.02 0.66 0.08 0.00 1.31 0.00 0.00 55.95 57.98 1xi7 s SER 31 Cb 0.13 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 1xi7 s SER 31 CO 0.76 -0.41 0.37 -0.54 0.41 0.00 0.00 173.24 173.83 1xi7 s LYS 32 N 2.56 2.62 -0.29 12.44 3.01 -1.26 -4.88 119.74 133.93 1xi7 s LYS 32 Ca 0.27 -1.44 -0.12 0.00 -1.01 0.00 0.00 55.97 53.67 1xi7 s LYS 32 Cb -0.15 -2.44 0.12 0.00 -1.01 0.00 0.00 37.83 34.34 1xi7 s LYS 32 CO 0.09 -0.11 0.66 -0.80 0.51 0.00 0.00 175.35 175.70 1xi7 s ASN 33 N -4.11 -1.09 -0.62 2.83 0.01 -1.26 -5.04 114.94 105.66 1xi7 s ASN 33 Ca 0.46 1.56 -0.14 0.00 -0.71 0.00 0.00 52.86 54.03 1xi7 s ASN 33 Cb -0.05 2.05 0.16 0.00 0.41 0.00 0.00 41.25 43.82 1xi7 s ASN 33 CO 0.28 -0.22 0.57 0.68 -1.51 0.00 0.00 177.10 176.89 1xi7 s VAL 34 N 2.55 5.19 -0.41 1.60 -7.23 -1.26 0.17 120.40 121.01 1xi7 s VAL 34 Ca -0.07 -1.87 -0.28 0.00 -1.81 0.00 0.00 61.98 57.95 1xi7 s VAL 34 Cb -0.10 -4.30 0.02 0.00 0.56 0.00 0.00 36.38 32.57 1xi7 s VAL 34 CO -0.19 -0.91 1.04 -0.60 -0.31 0.00 0.00 175.10 174.12 1xi7 s ARG 35 N 1.08 3.81 0.49 4.82 6.06 -0.17 -4.75 118.95 130.28 1xi7 s ARG 35 Ca 0.08 0.63 0.09 0.00 -2.50 0.00 0.00 55.73 54.03 1xi7 s ARG 35 Cb -0.23 -3.84 0.04 0.00 0.06 0.00 0.00 34.95 30.98 1xi7 s ARG 35 CO -0.01 -1.13 0.67 0.21 -2.50 0.00 0.00 175.30 172.54 1xi7 s LYS 36 N 3.90 2.60 -0.17 5.12 2.20 -0.94 0.30 119.74 132.76 1xi7 s LYS 36 Ca 0.43 -1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 54.59 1xi7 s LYS 36 Cb -0.10 -2.71 0.07 0.00 -1.51 0.00 0.00 37.83 33.58 1xi7 s LYS 36 CO 0.24 -0.53 0.13 -0.06 -0.36 0.00 0.00 175.35 174.76 1xi7 s PHE 37 N -2.49 0.03 0.05 4.03 0.08 -1.26 0.10 117.98 118.53 1xi7 s PHE 37 Ca 0.58 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.57 1xi7 s PHE 37 Cb -0.08 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1xi7 s PHE 37 CO 0.36 -0.50 0.12 0.96 -0.10 0.00 0.00 175.22 176.05 1xi7 s ILE 38 N 2.20 4.83 -0.75 0.64 -4.36 -0.79 -4.70 121.20 118.27 1xi7 s ILE 38 Ca 0.04 -0.57 -0.24 0.00 -0.26 0.00 0.00 60.65 59.61 1xi7 s ILE 38 Cb -0.15 -3.31 0.05 0.00 1.25 0.00 0.00 42.46 40.30 1xi7 s ILE 38 CO -0.09 0.18 1.16 0.00 0.24 0.00 0.00 174.94 176.43 1xi7 s ASP 40 N 3.84 6.76 -0.16 0.00 2.15 -0.23 -4.92 116.67 124.11 1xi7 s ASP 40 Ca 0.31 0.94 0.16 0.00 0.43 0.00 0.00 52.55 54.38 1xi7 s ASP 40 Cb -0.10 -2.40 0.34 0.00 -0.30 0.00 0.00 42.92 40.46 1xi7 s ASP 40 CO 0.09 -0.44 1.18 0.54 -0.17 0.00 0.00 175.17 176.37 1xi7 n ARG 41 N 5.75 1.41 -0.05 4.34 1.74 -1.26 -1.40 116.66 127.20 1xi7 n ARG 41 Ca 0.03 -2.89 -0.10 0.00 -0.77 0.00 0.00 57.85 54.12 1xi7 n ARG 41 Cb 0.48 -1.55 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 1xi7 n ARG 41 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xi7 n ASP 42 N -1.30 0.74 -0.01 0.55 -0.08 -1.26 -4.76 116.55 110.43 1xi7 n ASP 42 Ca 0.17 0.26 -0.01 0.00 -1.51 0.00 0.00 54.79 53.70 1xi7 n ASP 42 Cb 0.66 0.19 -0.00 0.00 2.34 0.00 0.00 41.12 44.31 1xi7 n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xi7 n GLY 43 N 1.67 -0.43 0.91 0.27 0.00 -1.26 -5.00 105.19 101.34 1xi7 n GLY 43 Ca -0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1xi7 n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xi7 n GLU 44 N -2.68 0.08 0.00 1.61 1.02 -1.26 -5.10 120.64 114.31 1xi7 n GLU 44 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1xi7 n GLU 44 Cb 0.04 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1xi7 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xi7 n GLY 45 N 3.10 0.05 3.20 0.62 0.00 -1.10 -4.92 105.19 106.14 1xi7 n GLY 45 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1xi7 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xi7 s VAL 46 N 0.00 0.12 -0.40 1.61 -7.23 -0.49 -2.52 120.40 111.48 1xi7 s VAL 46 Ca 0.00 -1.65 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 1xi7 s VAL 46 Cb 0.00 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.14 1xi7 s VAL 46 CO 0.00 -0.53 0.61 0.00 -0.31 0.00 0.00 175.10 174.87 1xi7 s VAL 48 N 2.69 2.99 0.75 0.00 -7.23 -0.83 0.13 120.40 118.91 1xi7 s VAL 48 Ca 0.22 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.25 1xi7 s VAL 48 Cb -0.15 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1xi7 s VAL 48 CO 0.17 -0.30 0.48 -2.65 -0.31 0.00 0.00 175.10 172.49 1xi7 n PRO 49 N -0.90 0.21 -0.60 4.82 -0.02 -1.26 -1.89 135.00 135.36 1xi7 n PRO 49 Ca -0.05 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1xi7 n PRO 49 Cb 0.60 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1xi7 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xi7 n PHE 50 N -2.53 -0.59 -1.80 6.00 7.35 0.29 -4.66 117.46 121.51 1xi7 n PHE 50 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1xi7 n PHE 50 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1xi7 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xi7 n ASP 51 N -0.59 -7.67 0.00 -2.13 2.03 -1.26 -2.20 116.55 104.72 1xi7 n ASP 51 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1xi7 n ASP 51 Cb 0.00 -4.30 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 1xi7 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89