#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xj1 s ILE 8 N 0.32 2.80 0.00 0.00 2.07 0.23 -4.81 121.20 121.81 1xj1 s ILE 8 Ca -0.16 0.26 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1xj1 s ILE 8 Cb -0.17 -3.25 0.00 0.00 0.13 0.00 0.00 42.46 39.17 1xj1 s ILE 8 CO 0.08 -0.34 0.00 0.61 -1.91 0.00 0.00 174.94 173.38 1xj1 n GLY 9 N -3.11 -0.21 3.56 1.50 0.00 -1.26 -4.01 105.19 101.65 1xj1 n GLY 9 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1xj1 n GLY 9 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xj1 s HIS 10 N 0.00 -0.91 -1.12 1.61 -3.43 -1.26 -4.93 115.29 105.25 1xj1 s HIS 10 Ca 0.00 1.90 -0.04 0.00 -0.80 0.00 0.00 55.06 56.12 1xj1 s HIS 10 Cb 0.00 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 1xj1 s HIS 10 CO 0.00 -0.45 0.94 0.66 -2.00 0.00 0.00 174.74 173.88 1xj1 n TYR 11 N 3.93 -2.33 -3.95 0.38 4.02 0.36 -5.00 117.16 114.58 1xj1 n TYR 11 Ca -0.19 0.88 -0.23 0.00 -0.01 0.00 0.00 57.90 58.35 1xj1 n TYR 11 Cb 0.58 -4.48 -0.05 0.00 -0.02 0.00 0.00 39.34 35.37 1xj1 n TYR 11 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1xj1 s GLN 12 N -4.86 2.45 -0.03 -0.72 -1.52 -0.94 -4.80 119.66 109.24 1xj1 s GLN 12 Ca 0.27 -1.55 -0.30 0.00 -1.95 0.00 0.00 55.36 51.84 1xj1 s GLN 12 Cb -0.04 -2.24 -0.03 0.00 -0.22 0.00 0.00 33.01 30.49 1xj1 s GLN 12 CO 0.74 0.01 0.99 0.15 -0.25 0.00 0.00 175.29 176.93 1xj1 s LYS 13 N -3.94 4.52 -0.10 2.91 1.02 -1.26 0.11 119.74 123.00 1xj1 s LYS 13 Ca 0.41 1.42 0.08 0.00 0.02 0.00 0.00 55.97 57.89 1xj1 s LYS 13 Cb -0.02 -3.48 -0.11 0.00 -0.52 0.00 0.00 37.83 33.69 1xj1 s LYS 13 CO 0.24 -0.12 0.02 0.00 -0.92 0.00 0.00 175.35 174.57 1xj1 h VAL 15 N 0.00 0.00 -0.18 0.00 2.07 -1.91 -3.29 116.25 112.93 1xj1 h VAL 15 Ca -0.26 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 1xj1 h VAL 15 Cb 1.57 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xj1 h VAL 15 CO 0.01 0.00 -0.68 -1.13 0.02 0.00 0.00 177.57 175.78 1xj1 h ASN 16 N -1.26 0.85 -3.35 0.57 -0.73 -1.88 -3.43 115.58 106.36 1xj1 h ASN 16 Ca -0.11 -0.52 -0.63 0.00 1.87 0.00 0.00 56.30 56.91 1xj1 h ASN 16 Cb 0.83 -0.25 -0.21 0.00 0.27 0.00 0.00 38.32 38.96 1xj1 h ASN 16 CO 0.18 1.30 -0.64 0.00 -0.37 0.00 0.00 177.43 177.91 1xj1 s ALA 17 N -3.86 3.11 -0.57 1.57 0.00 -1.24 -5.00 121.76 115.78 1xj1 s ALA 17 Ca -0.09 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1xj1 s ALA 17 Cb 0.10 -1.72 0.43 0.00 0.00 0.00 0.00 23.12 21.93 1xj1 s ALA 17 CO 0.89 0.09 2.00 -3.47 0.00 0.00 0.00 175.76 175.27 1xj1 n ASP 18 N 3.77 6.90 -4.70 0.00 -0.08 -1.26 -3.73 116.55 117.45 1xj1 n ASP 18 Ca -0.17 -3.60 -0.42 0.00 -1.51 0.00 0.00 54.79 49.08 1xj1 n ASP 18 Cb 0.52 -0.97 -0.03 0.00 2.34 0.00 0.00 41.12 42.99 1xj1 n ASP 18 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1xj1 s LYS 19 N -3.33 4.45 0.57 -0.67 1.02 -1.26 -5.00 119.74 115.52 1xj1 s LYS 19 Ca 0.57 1.51 -0.19 0.00 0.02 0.00 0.00 55.97 57.88 1xj1 s LYS 19 Cb 0.45 -3.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 1xj1 s LYS 19 CO 0.01 -0.26 0.95 -2.30 -0.92 0.00 0.00 175.35 172.83 1xj1 n PRO 20 N 4.57 0.97 -3.50 -1.68 -0.02 -1.23 -4.74 135.00 129.37 1xj1 n PRO 20 Ca 0.08 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1xj1 n PRO 20 Cb 0.49 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1xj1 n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xj1 s SER 23 N -2.81 -0.13 0.48 0.00 0.15 -1.26 -3.81 113.70 106.31 1xj1 s SER 23 Ca 0.54 0.28 0.01 0.00 0.70 0.00 0.00 55.95 57.48 1xj1 s SER 23 Cb -0.09 0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1xj1 s SER 23 CO 0.45 -0.07 0.09 0.29 1.20 0.00 0.00 173.24 175.20 1xj1 n LYS 24 N 3.31 0.84 -3.31 5.44 4.76 0.97 -4.96 118.16 125.20 1xj1 n LYS 24 Ca -0.16 -3.36 -0.22 0.00 -2.87 0.00 0.00 58.31 51.71 1xj1 n LYS 24 Cb 0.57 0.77 -0.08 0.00 -1.84 0.00 0.00 35.03 34.45 1xj1 n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1xj1 s THR 25 N -2.65 -0.05 0.79 -0.18 -1.32 -1.26 0.67 115.64 111.64 1xj1 s THR 25 Ca 0.07 -1.83 -0.11 0.00 -1.21 0.00 0.00 61.69 58.61 1xj1 s THR 25 Cb -0.01 -0.91 0.07 0.00 -1.51 0.00 0.00 72.50 70.15 1xj1 s THR 25 CO 0.04 -0.86 1.10 0.68 -2.21 0.00 0.00 174.62 173.38 1xj1 s VAL 26 N 0.70 3.09 0.60 5.08 -7.23 -1.25 -4.83 120.40 116.57 1xj1 s VAL 26 Ca 0.26 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1xj1 s VAL 26 Cb -0.06 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1xj1 s VAL 26 CO -0.10 -0.46 0.00 -1.14 -0.31 0.00 0.00 175.10 173.10 1xj1 n ARG 27 N -3.58 -3.58 -3.15 4.82 0.63 -1.26 -4.33 116.66 106.20 1xj1 n ARG 27 Ca 0.10 2.87 0.06 0.00 -0.92 0.00 0.00 57.85 59.95 1xj1 n ARG 27 Cb 0.53 -3.88 -0.00 0.00 0.45 0.00 0.00 32.46 29.56 1xj1 n ARG 27 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1xj1 s TYR 28 N -4.73 -0.27 0.00 -0.14 5.04 -1.26 -4.74 117.35 111.25 1xj1 s TYR 28 Ca 0.00 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1xj1 s TYR 28 Cb 0.00 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.37 1xj1 s TYR 28 CO 0.00 -0.16 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 1xj1 n GLY 29 N 5.15 -1.22 0.11 8.97 0.00 -1.26 -5.01 105.19 111.93 1xj1 n GLY 29 Ca 0.06 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 1xj1 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xj1 n ASP 30 N 0.00 0.88 -4.98 1.61 8.00 -1.26 -4.99 116.55 115.81 1xj1 n ASP 30 Ca 0.00 0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 1xj1 n ASP 30 Cb 0.00 0.28 0.01 0.00 -0.02 0.00 0.00 41.12 41.39 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xj1 s SER 31 N -6.01 5.36 -0.09 -2.24 0.01 -1.26 -5.12 113.70 104.34 1xj1 s SER 31 Ca -0.17 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.49 1xj1 s SER 31 Cb 0.07 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1xj1 s SER 31 CO 0.76 -0.88 -0.18 -1.59 0.41 0.00 0.00 173.24 171.76 1xj1 s LYS 32 N -4.37 2.42 -0.01 12.44 -2.85 -1.26 -4.68 119.74 121.43 1xj1 s LYS 32 Ca 0.54 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 1xj1 s LYS 32 Cb -0.07 -1.92 0.01 0.00 -2.06 0.00 0.00 37.83 33.78 1xj1 s LYS 32 CO 0.33 0.06 0.00 1.21 0.10 0.00 0.00 175.35 177.05 1xj1 s ASN 33 N 0.63 0.11 0.18 0.03 3.84 -1.26 -5.14 114.94 113.33 1xj1 s ASN 33 Ca -0.14 0.00 0.10 0.00 0.21 0.00 0.00 52.86 53.03 1xj1 s ASN 33 Cb -0.16 -0.05 -0.04 0.00 -0.55 0.00 0.00 41.25 40.45 1xj1 s ASN 33 CO 0.04 -0.04 -0.21 0.54 -2.79 0.00 0.00 177.10 174.64 1xj1 s VAL 34 N 0.40 2.05 -0.28 -5.21 0.11 -1.26 -3.79 120.40 112.41 1xj1 s VAL 34 Ca -0.03 -1.97 0.02 0.00 -2.93 0.00 0.00 61.98 57.06 1xj1 s VAL 34 Cb -0.05 -1.96 0.08 0.00 -1.53 0.00 0.00 36.38 32.91 1xj1 s VAL 34 CO -0.01 -0.24 -0.02 -0.60 -3.33 0.00 0.00 175.10 170.90 1xj1 s ARG 35 N -2.76 1.66 -0.19 1.54 6.06 0.21 -4.76 118.95 120.71 1xj1 s ARG 35 Ca 0.18 -1.35 -0.01 0.00 -2.50 0.00 0.00 55.73 52.05 1xj1 s ARG 35 Cb -0.07 -2.79 0.01 0.00 0.06 0.00 0.00 34.95 32.17 1xj1 s ARG 35 CO 0.08 -0.73 -0.15 -1.59 -2.50 0.00 0.00 175.30 170.42 1xj1 s LYS 36 N 1.19 3.11 -0.35 5.12 -2.85 -1.05 -0.02 119.74 124.90 1xj1 s LYS 36 Ca -0.00 -0.77 -0.22 0.00 -1.00 0.00 0.00 55.97 53.98 1xj1 s LYS 36 Cb -0.19 -2.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 1xj1 s LYS 36 CO -0.08 -0.21 0.72 -0.06 0.10 0.00 0.00 175.35 175.82 1xj1 s PHE 37 N 1.35 3.14 0.04 1.78 0.40 -1.25 0.11 117.98 123.55 1xj1 s PHE 37 Ca 0.05 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1xj1 s PHE 37 Cb -0.13 -3.26 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 1xj1 s PHE 37 CO -0.10 -0.66 0.11 0.96 0.70 0.00 0.00 175.22 176.24 1xj1 s ILE 38 N 2.91 4.83 -0.92 0.64 -4.36 -0.38 -4.74 121.20 119.17 1xj1 s ILE 38 Ca 0.28 -0.53 -0.24 0.00 -0.26 0.00 0.00 60.65 59.90 1xj1 s ILE 38 Cb -0.14 -3.29 0.04 0.00 1.25 0.00 0.00 42.46 40.32 1xj1 s ILE 38 CO 0.15 0.22 1.42 0.00 0.24 0.00 0.00 174.94 176.98 1xj1 s ASP 40 N 4.78 6.74 -0.08 0.00 -1.08 0.10 -4.88 116.67 122.25 1xj1 s ASP 40 Ca 0.44 0.67 0.10 0.00 -0.52 0.00 0.00 52.55 53.25 1xj1 s ASP 40 Cb -0.03 -2.55 -0.24 0.00 -1.46 0.00 0.00 42.92 38.65 1xj1 s ASP 40 CO -0.01 -1.12 0.54 -1.14 0.52 0.00 0.00 175.17 173.95 1xj1 n ARG 41 N 7.50 0.66 0.16 4.34 0.63 -1.26 -0.98 116.66 127.71 1xj1 n ARG 41 Ca 0.12 0.25 0.01 0.00 -0.92 0.00 0.00 57.85 57.32 1xj1 n ARG 41 Cb 0.48 -1.75 0.32 0.00 0.45 0.00 0.00 32.46 31.97 1xj1 n ARG 41 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1xj1 h ASP 42 N 0.01 0.06 0.00 6.15 1.82 -1.98 -3.28 116.42 119.20 1xj1 h ASP 42 Ca -0.34 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1xj1 h ASP 42 Cb 2.04 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 42.04 1xj1 h ASP 42 CO 0.07 0.44 0.00 0.61 -1.61 0.00 0.00 179.24 178.75 1xj1 n GLY 43 N -0.39 0.92 1.07 -0.78 0.00 -1.26 -4.88 105.19 99.87 1xj1 n GLY 43 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xj1 n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xj1 n GLU 44 N -0.52 0.00 -3.64 1.61 1.02 -1.25 -5.01 120.64 112.85 1xj1 n GLU 44 Ca 0.00 -1.30 -0.22 0.00 -0.02 0.00 0.00 57.16 55.62 1xj1 n GLU 44 Cb 0.00 0.07 0.06 0.00 -0.02 0.00 0.00 31.44 31.54 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xj1 n GLY 45 N 0.21 -0.38 3.13 0.62 0.00 -0.15 -4.97 105.19 103.64 1xj1 n GLY 45 Ca -0.06 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1xj1 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xj1 s VAL 46 N -3.47 0.48 -0.36 1.61 -7.23 -0.55 -2.56 120.40 108.32 1xj1 s VAL 46 Ca 0.19 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.34 1xj1 s VAL 46 Cb -0.09 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1xj1 s VAL 46 CO 0.78 -0.89 0.63 0.00 -0.31 0.00 0.00 175.10 175.31 1xj1 s VAL 48 N 2.70 2.17 0.78 0.00 -7.23 -0.77 0.14 120.40 118.18 1xj1 s VAL 48 Ca 0.24 -2.29 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 1xj1 s VAL 48 Cb -0.14 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 1xj1 s VAL 48 CO 0.15 -0.38 0.56 -2.65 -0.31 0.00 0.00 175.10 172.47 1xj1 n PRO 49 N -0.61 0.18 -2.15 4.82 -0.02 -1.26 -1.25 135.00 134.70 1xj1 n PRO 49 Ca -0.06 0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.49 1xj1 n PRO 49 Cb 0.61 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 32.21 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xj1 n PHE 50 N -2.71 -1.56 -1.94 6.00 7.35 0.29 -4.66 117.46 120.23 1xj1 n PHE 50 Ca 0.10 -0.77 -0.06 0.00 -0.76 0.00 0.00 57.45 55.96 1xj1 n PHE 50 Cb 0.51 0.38 -0.06 0.00 0.35 0.00 0.00 39.48 40.66 1xj1 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xj1 n ASP 51 N -1.22 -0.84 0.00 -2.13 -0.08 -1.26 -2.51 116.55 108.51 1xj1 n ASP 51 Ca -0.04 -1.72 0.00 0.00 -1.51 0.00 0.00 54.79 51.52 1xj1 n ASP 51 Cb 0.25 0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93