#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 1.74 2.88 -0.01 0.00 1.10 -0.10 -4.93 121.20 121.88 1xj1 s ILE 8 Ca -0.07 0.28 -0.01 0.00 -0.51 0.00 0.00 60.65 60.35 1xj1 s ILE 8 Cb -0.04 -3.26 -0.00 0.00 0.15 0.00 0.00 42.46 39.30 1xj1 s ILE 8 CO -0.16 -0.37 -0.02 0.61 -2.11 0.00 0.00 174.94 172.89 1xj1 n GLY 9 N -3.06 -0.22 3.32 1.50 0.00 -1.26 -4.70 105.19 100.77 1xj1 n GLY 9 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.18 -0.41 -0.88 1.61 -3.43 -1.26 -4.97 115.29 104.76 1xj1 s HIS 10 Ca -0.02 0.72 -0.04 0.00 -0.80 0.00 0.00 55.06 54.92 1xj1 s HIS 10 Cb 0.00 0.25 -0.05 0.00 -1.43 0.00 0.00 32.58 31.35 1xj1 s HIS 10 CO 0.03 -0.20 0.78 0.66 -2.00 0.00 0.00 174.74 174.01 1xj1 n TYR 11 N 4.74 -2.32 -3.84 0.38 4.02 0.38 -5.01 117.16 115.51 1xj1 n TYR 11 Ca -0.08 0.83 -0.22 0.00 -0.01 0.00 0.00 57.90 58.42 1xj1 n TYR 11 Cb 0.54 -3.94 -0.04 0.00 -0.02 0.00 0.00 39.34 35.88 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 -3.98 2.56 -0.18 -0.72 -1.52 -0.94 -4.81 119.66 110.07 1xj1 s GLN 12 Ca 0.32 -1.46 -0.29 0.00 -1.95 0.00 0.00 55.36 51.98 1xj1 s GLN 12 Cb -0.04 -2.34 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 1xj1 s GLN 12 CO 0.67 0.01 1.04 0.21 -0.25 0.00 0.00 175.29 176.96 1xj1 s LYS 13 N -3.99 4.32 -0.13 2.91 2.20 -1.26 -0.26 119.74 123.53 1xj1 s LYS 13 Ca 0.42 1.38 0.14 0.00 -0.36 0.00 0.00 55.97 57.55 1xj1 s LYS 13 Cb -0.04 -3.61 -0.19 0.00 -1.51 0.00 0.00 37.83 32.49 1xj1 s LYS 13 CO 0.26 -0.52 0.08 0.00 -0.36 0.00 0.00 175.35 174.81 1xj1 n VAL 15 N -2.50 0.05 -3.12 0.00 0.31 -1.23 -2.48 118.33 109.36 1xj1 n VAL 15 Ca -0.22 -0.60 -0.12 0.00 -0.01 0.00 0.00 64.34 63.39 1xj1 n VAL 15 Cb 0.92 -2.45 0.05 0.00 -0.91 0.00 0.00 33.84 31.46 1xj1 n VAL 15 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1xj1 n ASN 16 N 13.87 -6.60 -3.75 4.52 2.85 -1.26 -5.04 115.26 119.85 1xj1 n ASN 16 Ca 0.38 -0.56 -0.13 0.00 -0.11 0.00 0.00 54.58 54.16 1xj1 n ASN 16 Cb 0.45 -4.99 -0.11 0.00 1.24 0.00 0.00 39.78 36.37 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xj1 s ALA 17 N -3.30 -0.82 -1.03 5.20 0.00 -1.03 -5.06 121.76 115.72 1xj1 s ALA 17 Ca 0.36 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.30 1xj1 s ALA 17 Cb -0.05 -0.60 0.21 0.00 0.00 0.00 0.00 23.12 22.69 1xj1 s ALA 17 CO 0.70 -0.17 2.19 -3.47 0.00 0.00 0.00 175.76 175.01 1xj1 n ASP 18 N 3.22 7.51 -3.95 0.00 -0.08 -1.26 -4.86 116.55 117.13 1xj1 n ASP 18 Ca -0.16 -3.44 -0.30 0.00 -1.51 0.00 0.00 54.79 49.38 1xj1 n ASP 18 Cb 0.57 -1.23 -0.14 0.00 2.34 0.00 0.00 41.12 42.65 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 -2.78 1.63 0.68 -0.67 3.01 -1.26 -4.96 119.74 115.38 1xj1 s LYS 19 Ca 0.49 -2.15 -0.17 0.00 -1.01 0.00 0.00 55.97 53.13 1xj1 s LYS 19 Cb 0.25 -3.13 -0.02 0.00 -1.01 0.00 0.00 37.83 33.92 1xj1 s LYS 19 CO -0.17 -1.03 0.87 -2.30 0.51 0.00 0.00 175.35 173.23 1xj1 n PRO 20 N 3.76 0.59 -3.86 -1.68 -0.02 -1.26 -4.72 135.00 127.81 1xj1 n PRO 20 Ca 0.04 0.25 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 1xj1 n PRO 20 Cb 0.37 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 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 -3.36 5.16 0.33 0.00 1.04 -1.26 -4.09 113.70 111.52 1xj1 s SER 23 Ca 0.36 -0.58 0.07 0.00 0.48 0.00 0.00 55.95 56.28 1xj1 s SER 23 Cb -0.03 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.19 1xj1 s SER 23 CO 0.23 -0.38 0.24 2.29 0.98 0.00 0.00 173.24 176.60 1xj1 n LYS 24 N -1.36 0.43 -4.30 4.02 2.85 -0.19 -4.95 118.16 114.66 1xj1 n LYS 24 Ca -0.01 -3.21 -0.22 0.00 -1.05 0.00 0.00 58.31 53.81 1xj1 n LYS 24 Cb 0.60 2.46 -0.13 0.00 -0.65 0.00 0.00 35.03 37.31 1xj1 n LYS 24 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1xj1 s THR 25 N -3.24 1.46 -0.16 0.58 -1.32 -1.26 0.28 115.64 111.97 1xj1 s THR 25 Ca 0.35 -1.37 -0.01 0.00 -1.21 0.00 0.00 61.69 59.44 1xj1 s THR 25 Cb 0.02 -1.34 -0.01 0.00 -1.51 0.00 0.00 72.50 69.66 1xj1 s THR 25 CO 0.24 -0.07 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.78 1xj1 s VAL 26 N -1.12 3.05 0.47 5.08 1.01 -0.93 -4.94 120.40 123.01 1xj1 s VAL 26 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1xj1 s VAL 26 Cb -0.10 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1xj1 s VAL 26 CO 0.03 0.50 0.00 -1.14 0.00 0.00 0.00 175.10 174.49 1xj1 n ARG 27 N 3.99 -3.02 -3.20 2.72 0.63 -1.26 -4.25 116.66 112.26 1xj1 n ARG 27 Ca -0.18 2.26 0.00 0.00 -0.92 0.00 0.00 57.85 59.01 1xj1 n ARG 27 Cb 0.52 -3.61 -0.02 0.00 0.45 0.00 0.00 32.46 29.80 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 -3.21 -1.62 0.00 -0.14 5.04 -1.26 -4.84 117.35 111.31 1xj1 s TYR 28 Ca 0.00 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 1xj1 s TYR 28 Cb 0.00 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1xj1 s TYR 28 CO 0.00 -1.08 0.00 0.41 -1.34 0.00 0.00 175.55 173.54 1xj1 n GLY 29 N 5.22 -1.69 0.08 8.97 0.00 -1.26 -5.00 105.19 111.51 1xj1 n GLY 29 Ca 0.05 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.56 1xj1 n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xj1 h ASP 30 N 0.00 0.00 -3.64 1.61 5.19 -1.99 -3.46 116.42 114.13 1xj1 h ASP 30 Ca 0.00 -0.16 -0.62 0.00 -0.62 0.00 0.00 57.03 55.63 1xj1 h ASP 30 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 1xj1 h ASP 30 CO 0.00 0.90 -0.31 -0.94 -3.12 0.00 0.00 179.24 175.77 1xj1 s SER 31 N -5.99 6.25 -0.19 6.45 1.04 -1.26 -5.06 113.70 114.95 1xj1 s SER 31 Ca -0.16 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.56 1xj1 s SER 31 Cb 0.02 -2.18 0.04 0.00 0.10 0.00 0.00 66.02 64.00 1xj1 s SER 31 CO 0.30 -0.09 -0.11 -0.54 0.98 0.00 0.00 173.24 173.78 1xj1 s LYS 32 N 1.60 2.08 -0.22 4.02 3.01 -1.26 -4.33 119.74 124.63 1xj1 s LYS 32 Ca 0.14 -0.77 -0.15 0.00 -1.01 0.00 0.00 55.97 54.17 1xj1 s LYS 32 Cb -0.15 -2.34 0.06 0.00 -1.01 0.00 0.00 37.83 34.39 1xj1 s LYS 32 CO 0.08 -0.38 0.55 -0.80 0.51 0.00 0.00 175.35 175.31 1xj1 s ASN 33 N 1.42 -0.69 0.20 2.83 0.01 -1.26 -5.07 114.94 112.38 1xj1 s ASN 33 Ca 0.00 1.18 -0.04 0.00 -0.71 0.00 0.00 52.86 53.30 1xj1 s ASN 33 Cb -0.15 1.10 -0.05 0.00 0.41 0.00 0.00 41.25 42.56 1xj1 s ASN 33 CO -0.09 -0.21 0.44 0.68 -1.51 0.00 0.00 177.10 176.41 1xj1 s VAL 34 N 1.12 5.12 -0.05 1.60 -7.23 -1.26 -2.20 120.40 117.51 1xj1 s VAL 34 Ca -0.07 -0.05 0.05 0.00 -1.81 0.00 0.00 61.98 60.11 1xj1 s VAL 34 Cb -0.06 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 1xj1 s VAL 34 CO -0.11 -0.12 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.77 1xj1 s ARG 35 N -3.08 2.49 0.43 4.82 3.52 0.14 -4.94 118.95 122.32 1xj1 s ARG 35 Ca 0.41 -0.79 0.07 0.00 -0.13 0.00 0.00 55.73 55.30 1xj1 s ARG 35 Cb -0.11 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.01 1xj1 s ARG 35 CO 0.27 0.53 0.58 0.21 -0.81 0.00 0.00 175.30 176.08 1xj1 s LYS 36 N -0.51 2.81 -0.25 5.12 2.47 -0.26 -1.02 119.74 128.10 1xj1 s LYS 36 Ca 0.07 -1.20 -0.02 0.00 -1.56 0.00 0.00 55.97 53.25 1xj1 s LYS 36 Cb -0.11 -2.74 0.13 0.00 -1.46 0.00 0.00 37.83 33.65 1xj1 s LYS 36 CO 0.01 -0.30 0.36 -0.06 0.16 0.00 0.00 175.35 175.52 1xj1 s PHE 37 N -2.38 -0.76 0.26 4.03 0.40 -1.26 0.10 117.98 118.38 1xj1 s PHE 37 Ca 0.55 0.61 0.05 0.00 -0.60 0.00 0.00 56.93 57.54 1xj1 s PHE 37 Cb -0.10 -0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.32 1xj1 s PHE 37 CO 0.33 -0.76 0.39 0.96 0.70 0.00 0.00 175.22 176.84 1xj1 s ILE 38 N 2.51 5.04 -0.63 0.64 -4.36 -0.51 -4.64 121.20 119.25 1xj1 s ILE 38 Ca 0.11 -0.97 -0.16 0.00 -0.26 0.00 0.00 60.65 59.38 1xj1 s ILE 38 Cb -0.15 -3.78 0.15 0.00 1.25 0.00 0.00 42.46 39.93 1xj1 s ILE 38 CO -0.19 -0.31 0.61 0.00 0.24 0.00 0.00 174.94 175.30 1xj1 s ASP 40 N 3.24 6.71 -0.12 0.00 2.15 -0.72 -4.85 116.67 123.08 1xj1 s ASP 40 Ca 0.09 0.61 0.14 0.00 0.43 0.00 0.00 52.55 53.82 1xj1 s ASP 40 Cb -0.23 -2.55 -0.21 0.00 -0.30 0.00 0.00 42.92 39.63 1xj1 s ASP 40 CO 0.00 -1.15 0.14 -1.14 -0.17 0.00 0.00 175.17 172.84 1xj1 n ARG 41 N 7.58 1.24 -1.54 4.34 0.63 -1.26 -0.54 116.66 127.12 1xj1 n ARG 41 Ca 0.12 -0.05 -0.29 0.00 -0.92 0.00 0.00 57.85 56.72 1xj1 n ARG 41 Cb 0.48 -1.39 -0.06 0.00 0.45 0.00 0.00 32.46 31.95 1xj1 n ARG 41 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1xj1 n ASP 42 N -2.43 6.79 0.00 6.15 -0.08 -1.26 -4.07 116.55 121.65 1xj1 n ASP 42 Ca -0.19 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 50.03 1xj1 n ASP 42 Cb 0.84 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 43.00 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xj1 n GLY 43 N 1.44 -0.05 2.02 0.27 0.00 -1.26 -5.04 105.19 102.57 1xj1 n GLY 43 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1xj1 n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xj1 n GLU 44 N -1.48 0.00 0.00 1.61 2.13 -1.26 -5.09 120.64 116.56 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xj1 n GLU 44 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xj1 n GLY 45 N 0.56 0.88 3.18 8.31 0.00 0.30 -4.96 105.19 113.47 1xj1 n GLY 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.29 0.14 -0.31 1.61 -7.23 -0.70 -2.52 120.40 110.10 1xj1 s VAL 46 Ca 0.00 -1.15 -0.24 0.00 -1.81 0.00 0.00 61.98 58.78 1xj1 s VAL 46 Cb 0.00 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1xj1 s VAL 46 CO 0.00 -0.64 0.80 0.00 -0.31 0.00 0.00 175.10 174.95 1xj1 s VAL 48 N 3.00 2.10 0.58 0.00 -7.23 -0.40 0.14 120.40 118.59 1xj1 s VAL 48 Ca 0.33 -2.21 -0.20 0.00 -1.81 0.00 0.00 61.98 58.09 1xj1 s VAL 48 Cb -0.14 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1xj1 s VAL 48 CO 0.13 -0.26 1.07 -2.65 -0.31 0.00 0.00 175.10 173.08 1xj1 n PRO 49 N -0.71 1.11 -0.95 4.82 -0.02 -1.26 -1.43 135.00 136.57 1xj1 n PRO 49 Ca -0.05 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1xj1 n PRO 49 Cb 0.63 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.48 -0.93 -3.36 6.00 7.35 0.29 -4.66 117.46 120.67 1xj1 n PHE 50 Ca 0.13 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.67 1xj1 n PHE 50 Cb 0.46 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.21 1xj1 n PHE 50 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1xj1 s ASP 51 N -0.81 1.07 0.00 -2.13 1.01 -1.26 -1.11 116.67 113.44 1xj1 s ASP 51 Ca 0.00 -1.14 0.00 0.00 0.71 0.00 0.00 52.55 52.12 1xj1 s ASP 51 Cb 0.00 0.69 0.00 0.00 1.01 0.00 0.00 42.92 44.62 1xj1 s ASP 51 CO 0.00 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.68