#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 2.67 1.99 -0.07 0.00 1.10 -1.03 -4.84 121.20 121.02 1xj1 s ILE 8 Ca 0.64 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.83 1xj1 s ILE 8 Cb -0.31 -2.99 -0.08 0.00 0.15 0.00 0.00 42.46 39.24 1xj1 s ILE 8 CO 0.26 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.70 1xj1 n GLY 9 N -3.44 -0.28 3.65 1.50 0.00 -1.26 -3.58 105.19 101.77 1xj1 n GLY 9 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.16 -0.04 -0.37 1.61 -3.43 -1.26 -4.91 115.29 104.73 1xj1 s HIS 10 Ca -0.05 0.09 -0.12 0.00 -0.80 0.00 0.00 55.06 54.18 1xj1 s HIS 10 Cb 0.02 0.49 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1xj1 s HIS 10 CO 0.26 -0.02 0.50 0.66 -2.00 0.00 0.00 174.74 174.14 1xj1 n TYR 11 N 1.53 -2.84 -4.39 0.38 4.02 0.16 -5.03 117.16 110.99 1xj1 n TYR 11 Ca -0.10 1.14 -0.35 0.00 -0.01 0.00 0.00 57.90 58.58 1xj1 n TYR 11 Cb 0.57 -3.63 -0.10 0.00 -0.02 0.00 0.00 39.34 36.16 1xj1 n TYR 11 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1xj1 s GLN 12 N -2.37 2.97 -0.91 -0.72 0.74 -0.93 -4.76 119.66 113.68 1xj1 s GLN 12 Ca 0.19 -0.41 -0.25 0.00 0.05 0.00 0.00 55.36 54.94 1xj1 s GLN 12 Cb -0.05 -2.78 0.04 0.00 1.10 0.00 0.00 33.01 31.31 1xj1 s GLN 12 CO 0.63 0.70 1.40 0.15 -0.55 0.00 0.00 175.29 177.62 1xj1 s LYS 13 N -0.88 3.42 -0.26 1.67 -0.14 -1.26 0.90 119.74 123.19 1xj1 s LYS 13 Ca 0.13 -0.77 0.08 0.00 -1.36 0.00 0.00 55.97 54.06 1xj1 s LYS 13 Cb -0.11 -4.91 0.45 0.00 -1.68 0.00 0.00 37.83 31.57 1xj1 s LYS 13 CO 0.02 -2.21 1.21 0.00 -0.76 0.00 0.00 175.35 173.62 1xj1 h VAL 15 N 1.70 1.49 0.00 0.00 3.04 -1.37 -3.36 116.25 117.74 1xj1 h VAL 15 Ca 0.23 -2.84 -0.22 0.00 -1.01 0.00 0.00 66.70 62.86 1xj1 h VAL 15 Cb 1.33 2.71 -0.04 0.00 -2.01 0.00 0.00 31.29 33.27 1xj1 h VAL 15 CO 0.47 0.83 -1.91 0.59 -1.01 0.00 0.00 177.57 176.54 1xj1 n ASN 16 N -3.60 1.61 -3.20 3.17 4.13 -1.26 -4.98 115.26 111.13 1xj1 n ASN 16 Ca -0.06 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.01 1xj1 n ASN 16 Cb 0.93 0.95 -0.06 0.00 -1.54 0.00 0.00 39.78 40.06 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xj1 n ALA 17 N -2.44 0.54 -3.72 5.41 0.00 -1.26 -5.12 120.51 113.91 1xj1 n ALA 17 Ca -0.20 -1.69 -0.29 0.00 0.00 0.00 0.00 53.44 51.26 1xj1 n ALA 17 Cb 0.87 1.24 -0.13 0.00 0.00 0.00 0.00 19.45 21.44 1xj1 n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xj1 s ASP 18 N -3.03 3.63 0.46 0.00 1.11 -1.26 -4.19 116.67 113.39 1xj1 s ASP 18 Ca 0.25 -2.92 -0.10 0.00 0.18 0.00 0.00 52.55 49.96 1xj1 s ASP 18 Cb 0.01 -1.11 -0.06 0.00 1.07 0.00 0.00 42.92 42.83 1xj1 s ASP 18 CO 0.18 -0.22 0.82 -0.54 1.18 0.00 0.00 175.17 176.59 1xj1 s LYS 19 N -0.04 3.73 -0.31 8.23 1.02 -1.26 -4.96 119.74 126.15 1xj1 s LYS 19 Ca 0.21 0.49 -0.33 0.00 0.02 0.00 0.00 55.97 56.35 1xj1 s LYS 19 Cb -0.18 -2.33 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 1xj1 s LYS 19 CO -0.05 -0.15 2.19 -2.30 -0.92 0.00 0.00 175.35 174.12 1xj1 n PRO 20 N -1.69 1.33 -3.47 -1.68 -0.02 -1.26 -4.91 135.00 123.30 1xj1 n PRO 20 Ca 0.03 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 1xj1 n PRO 20 Cb 0.54 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1xj1 n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xj1 n SER 23 N -2.10 0.16 -3.51 0.00 3.41 -1.26 -4.72 113.62 105.60 1xj1 n SER 23 Ca 0.15 -1.12 -0.21 0.00 -0.26 0.00 0.00 58.87 57.43 1xj1 n SER 23 Cb 0.49 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.26 1xj1 n SER 23 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xj1 s LYS 24 N -2.30 0.17 -0.11 4.33 1.02 0.11 -5.02 119.74 117.95 1xj1 s LYS 24 Ca 0.05 0.05 -0.04 0.00 0.02 0.00 0.00 55.97 56.04 1xj1 s LYS 24 Cb -0.00 -1.30 0.05 0.00 -0.52 0.00 0.00 37.83 36.06 1xj1 s LYS 24 CO 0.03 -0.72 0.22 -0.08 -0.92 0.00 0.00 175.35 173.88 1xj1 s THR 25 N 2.27 -0.24 -0.31 2.17 -1.32 -1.26 0.64 115.64 117.58 1xj1 s THR 25 Ca 0.06 0.25 -0.07 0.00 -1.21 0.00 0.00 61.69 60.72 1xj1 s THR 25 Cb -0.16 -0.37 0.24 0.00 -1.51 0.00 0.00 72.50 70.70 1xj1 s THR 25 CO -0.15 0.11 1.20 0.55 -2.21 0.00 0.00 174.62 174.11 1xj1 n VAL 26 N 4.93 0.00 -3.74 5.08 3.14 -1.26 -5.02 118.33 121.46 1xj1 n VAL 26 Ca -0.13 -0.23 -0.29 0.00 -2.96 0.00 0.00 64.34 60.72 1xj1 n VAL 26 Cb 0.51 0.70 -0.15 0.00 -1.06 0.00 0.00 33.84 33.83 1xj1 n VAL 26 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1xj1 s ARG 27 N 0.68 0.73 0.72 1.45 6.06 -1.26 -5.01 118.95 122.31 1xj1 s ARG 27 Ca 0.23 -0.94 -0.11 0.00 -2.50 0.00 0.00 55.73 52.41 1xj1 s ARG 27 Cb 0.17 -2.01 0.02 0.00 0.06 0.00 0.00 34.95 33.18 1xj1 s ARG 27 CO -0.10 -0.91 1.09 0.71 -2.50 0.00 0.00 175.30 173.60 1xj1 s TYR 28 N 1.66 3.25 0.00 5.12 1.51 -1.26 -4.58 117.35 123.05 1xj1 s TYR 28 Ca 0.07 1.10 0.00 0.00 -1.01 0.00 0.00 57.07 57.23 1xj1 s TYR 28 Cb -0.17 -3.05 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1xj1 s TYR 28 CO -0.22 -1.25 0.00 0.41 -1.11 0.00 0.00 175.55 173.38 1xj1 n GLY 29 N -2.79 -1.08 0.03 0.71 0.00 -1.26 -4.78 105.19 96.02 1xj1 n GLY 29 Ca 0.07 -2.09 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 1xj1 n GLY 29 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xj1 h ASP 30 N 0.00 -0.06 -3.78 1.61 1.82 -2.09 -3.44 116.42 110.48 1xj1 h ASP 30 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 1xj1 h ASP 30 Cb 0.00 0.02 0.03 0.00 0.68 0.00 0.00 39.33 40.06 1xj1 h ASP 30 CO 0.00 -0.02 0.54 -0.44 -1.61 0.00 0.00 179.24 177.72 1xj1 s SER 31 N -2.75 7.08 -0.33 2.28 0.01 -1.26 -5.02 113.70 113.71 1xj1 s SER 31 Ca -0.01 2.41 -0.00 0.00 1.31 0.00 0.00 55.95 59.66 1xj1 s SER 31 Cb 0.00 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.68 1xj1 s SER 31 CO 0.03 -0.30 0.05 -0.54 0.41 0.00 0.00 173.24 172.88 1xj1 s LYS 32 N -1.40 2.11 -0.72 12.44 3.01 -1.26 -4.71 119.74 129.22 1xj1 s LYS 32 Ca 0.47 -1.54 -0.19 0.00 -1.01 0.00 0.00 55.97 53.70 1xj1 s LYS 32 Cb -0.35 -3.25 0.12 0.00 -1.01 0.00 0.00 37.83 33.34 1xj1 s LYS 32 CO 0.44 -0.79 0.87 1.21 0.51 0.00 0.00 175.35 177.59 1xj1 s ASN 33 N 1.31 6.36 -0.12 2.83 3.84 -1.26 -5.03 114.94 122.87 1xj1 s ASN 33 Ca 0.01 -1.65 -0.15 0.00 0.21 0.00 0.00 52.86 51.28 1xj1 s ASN 33 Cb -0.20 -2.34 -0.05 0.00 -0.55 0.00 0.00 41.25 38.11 1xj1 s ASN 33 CO -0.04 -1.10 0.35 0.68 -2.79 0.00 0.00 177.10 174.20 1xj1 s VAL 34 N 2.66 5.25 -0.40 -5.21 -7.23 -1.26 -4.43 120.40 109.76 1xj1 s VAL 34 Ca 0.19 0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 61.01 1xj1 s VAL 34 Cb -0.16 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.21 1xj1 s VAL 34 CO 0.01 0.41 0.19 -0.60 -0.31 0.00 0.00 175.10 174.81 1xj1 s ARG 35 N 0.20 1.96 0.00 4.82 6.06 0.21 -4.63 118.95 127.56 1xj1 s ARG 35 Ca 0.20 -1.83 0.00 0.00 -2.50 0.00 0.00 55.73 51.60 1xj1 s ARG 35 Cb -0.14 -3.55 0.00 0.00 0.06 0.00 0.00 34.95 31.32 1xj1 s ARG 35 CO 0.07 -1.06 0.00 1.17 -2.50 0.00 0.00 175.30 172.98 1xj1 n LYS 36 N 4.57 0.24 -3.36 5.12 3.00 -0.52 0.07 118.16 127.28 1xj1 n LYS 36 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.31 1xj1 n LYS 36 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.42 1xj1 n LYS 36 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1xj1 s PHE 37 N -0.74 -1.50 0.21 5.64 0.08 -1.26 -1.81 117.98 118.61 1xj1 s PHE 37 Ca 0.00 1.97 0.09 0.00 0.12 0.00 0.00 56.93 59.11 1xj1 s PHE 37 Cb 0.00 0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 43.08 1xj1 s PHE 37 CO 0.00 -0.79 -0.04 0.96 -0.10 0.00 0.00 175.22 175.25 1xj1 s ILE 38 N 2.88 3.42 -0.69 0.64 -4.36 0.11 -4.89 121.20 118.30 1xj1 s ILE 38 Ca 0.10 -1.70 -0.21 0.00 -0.26 0.00 0.00 60.65 58.58 1xj1 s ILE 38 Cb -0.14 -2.75 0.09 0.00 1.25 0.00 0.00 42.46 40.91 1xj1 s ILE 38 CO -0.20 -0.21 0.93 0.00 0.24 0.00 0.00 174.94 175.70 1xj1 s ASP 40 N 3.66 6.98 -0.28 0.00 2.15 0.15 -4.88 116.67 124.44 1xj1 s ASP 40 Ca 0.22 1.15 0.11 0.00 0.43 0.00 0.00 52.55 54.46 1xj1 s ASP 40 Cb -0.16 -2.54 0.62 0.00 -0.30 0.00 0.00 42.92 40.53 1xj1 s ASP 40 CO 0.06 -0.82 1.61 0.54 -0.17 0.00 0.00 175.17 176.39 1xj1 n ARG 41 N 6.72 2.91 -0.08 4.34 1.74 -1.26 -1.08 116.66 129.95 1xj1 n ARG 41 Ca 0.12 -3.04 -0.09 0.00 -0.77 0.00 0.00 57.85 54.07 1xj1 n ARG 41 Cb 0.47 -2.00 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xj1 n ASP 42 N -0.58 1.40 0.00 0.55 8.00 -1.26 -4.66 116.55 120.01 1xj1 n ASP 42 Ca 0.34 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1xj1 n ASP 42 Cb 1.17 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xj1 n GLY 43 N 2.14 0.17 1.26 0.44 0.00 -1.26 -4.90 105.19 103.05 1xj1 n GLY 43 Ca -0.28 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.50 0.00 -3.43 1.61 -0.58 -1.26 -5.03 120.64 110.46 1xj1 n GLU 44 Ca 0.00 -1.72 -0.21 0.00 -0.42 0.00 0.00 57.16 54.80 1xj1 n GLU 44 Cb 0.00 -0.09 0.06 0.00 -0.57 0.00 0.00 31.44 30.84 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xj1 n GLY 45 N 0.37 -1.10 3.30 0.62 0.00 -0.99 -4.66 105.19 102.73 1xj1 n GLY 45 Ca 0.03 0.53 -0.16 0.00 0.00 0.00 0.00 46.02 46.42 1xj1 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xj1 s VAL 46 N -3.40 1.45 -0.50 1.61 1.01 -0.24 -1.09 120.40 119.25 1xj1 s VAL 46 Ca 0.44 -2.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.13 1xj1 s VAL 46 Cb -0.10 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.43 1xj1 s VAL 46 CO 0.79 -0.65 0.53 0.00 0.00 0.00 0.00 175.10 175.77 1xj1 s VAL 48 N 2.15 3.17 1.01 0.00 -7.23 -0.27 0.38 120.40 119.61 1xj1 s VAL 48 Ca 0.09 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 1xj1 s VAL 48 Cb -0.23 -3.01 0.14 0.00 0.56 0.00 0.00 36.38 33.85 1xj1 s VAL 48 CO 0.08 -0.20 0.78 -2.65 -0.31 0.00 0.00 175.10 172.81 1xj1 n PRO 49 N -1.17 -0.98 -3.42 4.82 -0.02 -1.26 -0.71 135.00 132.26 1xj1 n PRO 49 Ca -0.03 -0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.13 1xj1 n PRO 49 Cb 0.61 -2.11 0.03 0.00 -0.02 0.00 0.00 33.50 32.00 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 -4.26 -2.18 -2.49 6.00 7.35 -0.75 -4.53 117.46 116.60 1xj1 n PHE 50 Ca 0.07 -1.61 -0.03 0.00 -0.76 0.00 0.00 57.45 55.12 1xj1 n PHE 50 Cb 0.54 0.81 -0.03 0.00 0.35 0.00 0.00 39.48 41.15 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 -1.46 -4.67 0.00 -2.13 -0.08 -1.26 -1.44 116.55 105.51 1xj1 n ASP 51 Ca -0.08 1.61 0.00 0.00 -1.51 0.00 0.00 54.79 54.82 1xj1 n ASP 51 Cb 0.52 -5.30 0.00 0.00 2.34 0.00 0.00 41.12 38.68 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93