#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 -1.92 2.00 -0.18 0.00 1.10 -0.98 -4.93 121.20 116.29 1xj1 s ILE 8 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1xj1 s ILE 8 Cb 0.00 -2.99 -0.11 0.00 0.15 0.00 0.00 42.46 39.51 1xj1 s ILE 8 CO 0.00 0.00 -0.16 0.61 -2.11 0.00 0.00 174.94 173.28 1xj1 n GLY 9 N -3.30 -0.25 3.65 1.50 0.00 -1.26 -4.53 105.19 100.99 1xj1 n GLY 9 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.35 -0.04 -0.53 1.61 -3.43 -1.26 -4.91 115.29 104.38 1xj1 s HIS 10 Ca -0.24 0.08 -0.06 0.00 -0.80 0.00 0.00 55.06 54.03 1xj1 s HIS 10 Cb 0.06 0.49 0.01 0.00 -1.43 0.00 0.00 32.58 31.71 1xj1 s HIS 10 CO 0.40 -0.02 0.57 0.66 -2.00 0.00 0.00 174.74 174.35 1xj1 n TYR 11 N 1.09 -2.80 -3.68 0.38 4.02 0.21 -5.00 117.16 111.37 1xj1 n TYR 11 Ca -0.06 1.10 -0.36 0.00 -0.01 0.00 0.00 57.90 58.57 1xj1 n TYR 11 Cb 0.58 -3.78 -0.07 0.00 -0.02 0.00 0.00 39.34 36.04 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 -2.75 4.07 -0.47 -0.72 -0.44 -0.90 -4.73 119.66 113.71 1xj1 s GLN 12 Ca 0.09 -0.08 -0.29 0.00 -2.50 0.00 0.00 55.36 52.59 1xj1 s GLN 12 Cb -0.03 -3.37 0.03 0.00 -1.64 0.00 0.00 33.01 28.00 1xj1 s GLN 12 CO 0.66 0.38 1.14 0.21 0.50 0.00 0.00 175.29 178.19 1xj1 s LYS 13 N 0.08 3.73 -0.13 1.67 2.20 -1.26 0.30 119.74 126.33 1xj1 s LYS 13 Ca 0.13 0.59 0.16 0.00 -0.36 0.00 0.00 55.97 56.48 1xj1 s LYS 13 Cb -0.12 -3.91 0.30 0.00 -1.51 0.00 0.00 37.83 32.59 1xj1 s LYS 13 CO 0.02 -1.38 1.15 0.00 -0.36 0.00 0.00 175.35 174.78 1xj1 n VAL 15 N -1.16 1.40 -2.47 0.00 3.14 -1.14 -4.64 118.33 113.46 1xj1 n VAL 15 Ca 0.15 -0.82 0.02 0.00 -2.96 0.00 0.00 64.34 60.73 1xj1 n VAL 15 Cb 0.68 -0.58 0.01 0.00 -1.06 0.00 0.00 33.84 32.89 1xj1 n VAL 15 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1xj1 n ASN 16 N -2.81 0.79 -1.78 6.55 2.85 -1.26 -5.11 115.26 114.48 1xj1 n ASN 16 Ca -0.35 -2.00 -0.03 0.00 -0.11 0.00 0.00 54.58 52.09 1xj1 n ASN 16 Cb 1.14 -0.23 0.01 0.00 1.24 0.00 0.00 39.78 41.94 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xj1 n ALA 17 N 0.33 -0.84 -3.74 5.20 0.00 -1.26 -5.17 120.51 115.04 1xj1 n ALA 17 Ca 0.02 -0.47 -0.17 0.00 0.00 0.00 0.00 53.44 52.82 1xj1 n ALA 17 Cb 1.07 0.34 -0.16 0.00 0.00 0.00 0.00 19.45 20.69 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 -1.87 0.36 -0.25 0.00 1.11 -1.26 -4.59 116.67 110.17 1xj1 s ASP 18 Ca 0.07 0.02 -0.26 0.00 0.18 0.00 0.00 52.55 52.56 1xj1 s ASP 18 Cb -0.02 -0.14 0.09 0.00 1.07 0.00 0.00 42.92 43.92 1xj1 s ASP 18 CO 0.04 -0.14 0.84 -0.54 1.18 0.00 0.00 175.17 176.55 1xj1 s LYS 19 N 1.21 0.73 -0.31 8.23 1.02 -1.26 -5.09 119.74 124.26 1xj1 s LYS 19 Ca -0.07 0.78 -0.29 0.00 0.02 0.00 0.00 55.97 56.40 1xj1 s LYS 19 Cb -0.13 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1xj1 s LYS 19 CO -0.03 -0.11 1.31 -1.25 -0.92 0.00 0.00 175.35 174.36 1xj1 s PRO 20 N 0.16 3.88 -1.10 -1.68 0.04 -1.26 -4.96 135.00 130.08 1xj1 s PRO 20 Ca 0.00 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 1xj1 s PRO 20 Cb -0.04 -3.89 0.19 0.00 0.04 0.00 0.00 34.50 30.80 1xj1 s PRO 20 CO -0.01 -1.17 1.24 0.00 0.04 0.00 0.00 177.00 177.11 1xj1 s SER 23 N -2.65 5.47 -0.04 0.00 0.15 -1.26 -4.52 113.70 110.84 1xj1 s SER 23 Ca 0.26 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1xj1 s SER 23 Cb -0.01 -0.79 0.02 0.00 -1.71 0.00 0.00 66.02 63.54 1xj1 s SER 23 CO 0.18 -0.60 -0.02 -0.54 1.20 0.00 0.00 173.24 173.47 1xj1 s LYS 24 N -4.19 0.56 -0.18 5.44 -0.14 -0.56 -5.02 119.74 115.64 1xj1 s LYS 24 Ca 0.49 0.01 -0.04 0.00 -1.36 0.00 0.00 55.97 55.07 1xj1 s LYS 24 Cb -0.07 -0.70 -0.02 0.00 -1.68 0.00 0.00 37.83 35.36 1xj1 s LYS 24 CO 0.30 -0.14 -0.04 -0.08 -0.76 0.00 0.00 175.35 174.63 1xj1 s THR 25 N 1.14 3.67 0.12 2.17 -1.32 -1.26 -0.92 115.64 119.24 1xj1 s THR 25 Ca -0.08 -0.42 0.06 0.00 -1.21 0.00 0.00 61.69 60.04 1xj1 s THR 25 Cb -0.14 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 1xj1 s THR 25 CO -0.01 0.46 -0.02 0.68 -2.21 0.00 0.00 174.62 173.52 1xj1 s VAL 26 N 0.79 3.83 -0.08 5.08 -7.23 -1.26 -5.02 120.40 116.51 1xj1 s VAL 26 Ca -0.01 -1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 58.92 1xj1 s VAL 26 Cb -0.15 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 33.97 1xj1 s VAL 26 CO 0.02 0.05 0.20 -0.13 -0.31 0.00 0.00 175.10 174.93 1xj1 s ARG 27 N -2.48 0.24 0.17 4.82 0.52 -1.26 -4.69 118.95 116.26 1xj1 s ARG 27 Ca 0.26 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 1xj1 s ARG 27 Cb -0.11 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1xj1 s ARG 27 CO 0.18 -0.03 0.00 0.98 0.02 0.00 0.00 175.30 176.44 1xj1 n TYR 28 N 3.00 -2.90 -0.93 -0.53 4.19 -1.26 -5.15 117.16 113.58 1xj1 n TYR 28 Ca -0.13 0.57 0.00 0.00 3.31 0.00 0.00 57.90 61.65 1xj1 n TYR 28 Cb 0.58 1.67 0.00 0.00 0.49 0.00 0.00 39.34 42.08 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xj1 n GLY 29 N -1.35 0.60 0.23 2.98 0.00 -1.26 -5.02 105.19 101.37 1xj1 n GLY 29 Ca 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.42 -4.46 1.61 1.82 -2.03 -3.44 116.42 109.49 1xj1 h ASP 30 Ca 0.00 -0.13 -0.69 0.00 -0.39 0.00 0.00 57.03 55.83 1xj1 h ASP 30 Cb 0.00 0.11 -0.30 0.00 0.68 0.00 0.00 39.33 39.82 1xj1 h ASP 30 CO 0.00 -0.08 -0.88 -0.55 -1.61 0.00 0.00 179.24 176.11 1xj1 s SER 31 N -4.95 2.98 -0.16 2.28 0.15 -1.26 -5.12 113.70 107.61 1xj1 s SER 31 Ca -0.14 -0.47 -0.07 0.00 0.70 0.00 0.00 55.95 55.97 1xj1 s SER 31 Cb 0.02 -0.44 0.07 0.00 -1.71 0.00 0.00 66.02 63.96 1xj1 s SER 31 CO 0.54 0.30 0.35 -0.75 1.20 0.00 0.00 173.24 174.88 1xj1 s LYS 32 N -0.50 0.28 0.56 5.44 2.47 -1.26 -4.96 119.74 121.77 1xj1 s LYS 32 Ca 0.07 0.83 -0.07 0.00 -1.56 0.00 0.00 55.97 55.24 1xj1 s LYS 32 Cb -0.11 0.09 -0.03 0.00 -1.46 0.00 0.00 37.83 36.33 1xj1 s LYS 32 CO 0.00 -0.23 0.90 -0.80 0.16 0.00 0.00 175.35 175.38 1xj1 s ASN 33 N 2.09 6.07 0.19 1.43 0.01 -1.26 -4.91 114.94 118.55 1xj1 s ASN 33 Ca -0.04 1.04 -0.18 0.00 -0.71 0.00 0.00 52.86 52.97 1xj1 s ASN 33 Cb -0.11 -2.18 -0.08 0.00 0.41 0.00 0.00 41.25 39.29 1xj1 s ASN 33 CO -0.11 -0.80 0.65 -0.69 -1.51 0.00 0.00 177.10 174.64 1xj1 s VAL 34 N -2.95 4.68 -0.17 1.60 1.01 -1.26 -4.42 120.40 118.90 1xj1 s VAL 34 Ca 0.51 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 63.51 1xj1 s VAL 34 Cb -0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1xj1 s VAL 34 CO 0.48 0.23 0.12 -0.60 0.00 0.00 0.00 175.10 175.33 1xj1 s ARG 35 N -1.96 3.87 0.56 2.72 3.52 -0.09 -4.98 118.95 122.59 1xj1 s ARG 35 Ca 0.41 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.87 1xj1 s ARG 35 Cb -0.16 -3.30 0.06 0.00 -1.56 0.00 0.00 34.95 29.99 1xj1 s ARG 35 CO 0.20 0.48 0.54 0.21 -0.81 0.00 0.00 175.30 175.92 1xj1 s LYS 36 N -0.17 2.26 -0.19 5.12 2.20 0.08 -1.50 119.74 127.54 1xj1 s LYS 36 Ca 0.10 -1.91 -0.10 0.00 -0.36 0.00 0.00 55.97 53.70 1xj1 s LYS 36 Cb -0.11 -2.27 0.06 0.00 -1.51 0.00 0.00 37.83 34.00 1xj1 s LYS 36 CO 0.00 -0.72 0.44 -0.06 -0.36 0.00 0.00 175.35 174.66 1xj1 s PHE 37 N -2.75 -0.68 0.04 4.03 0.40 -1.26 0.12 117.98 117.88 1xj1 s PHE 37 Ca 0.43 1.41 0.07 0.00 -0.60 0.00 0.00 56.93 58.24 1xj1 s PHE 37 Cb -0.03 0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.79 1xj1 s PHE 37 CO 0.27 -0.38 -0.20 0.96 0.70 0.00 0.00 175.22 176.57 1xj1 s ILE 38 N 1.54 1.64 -0.24 0.64 -5.25 -0.42 -4.87 121.20 114.25 1xj1 s ILE 38 Ca -0.09 -1.17 -0.27 0.00 -0.99 0.00 0.00 60.65 58.13 1xj1 s ILE 38 Cb -0.08 -1.42 0.00 0.00 2.95 0.00 0.00 42.46 43.91 1xj1 s ILE 38 CO -0.14 0.21 0.95 0.00 -1.79 0.00 0.00 174.94 174.18 1xj1 s ASP 40 N 1.28 5.36 -0.34 0.00 2.15 0.13 -4.88 116.67 120.37 1xj1 s ASP 40 Ca 0.40 -0.95 0.09 0.00 0.43 0.00 0.00 52.55 52.52 1xj1 s ASP 40 Cb -0.15 -1.91 0.67 0.00 -0.30 0.00 0.00 42.92 41.23 1xj1 s ASP 40 CO 0.07 -0.29 1.74 0.54 -0.17 0.00 0.00 175.17 177.06 1xj1 n ARG 41 N 4.88 2.96 -1.50 4.34 1.74 -1.26 0.67 116.66 128.48 1xj1 n ARG 41 Ca -0.13 -3.07 -0.30 0.00 -0.77 0.00 0.00 57.85 53.59 1xj1 n ARG 41 Cb 0.46 -2.10 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 1xj1 n ARG 41 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xj1 n ASP 42 N -0.61 7.07 0.00 0.55 -0.08 -1.26 -4.38 116.55 117.84 1xj1 n ASP 42 Ca 0.43 -2.93 0.00 0.00 -1.51 0.00 0.00 54.79 50.78 1xj1 n ASP 42 Cb 1.36 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 43.45 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 1.93 1.50 0.18 0.27 0.00 -1.26 -4.95 105.19 102.86 1xj1 n GLY 43 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.08 0.00 0.00 1.61 -0.58 -1.26 -5.11 120.64 115.22 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xj1 n GLU 44 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 3.89 0.70 3.13 0.62 0.00 0.21 -4.80 105.19 108.94 1xj1 n GLY 45 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.13 0.46 -0.56 1.61 1.01 -0.84 -2.37 120.40 118.59 1xj1 s VAL 46 Ca 0.00 -1.88 -0.18 0.00 0.00 0.00 0.00 61.98 59.92 1xj1 s VAL 46 Cb 0.00 -1.62 0.10 0.00 0.00 0.00 0.00 36.38 34.86 1xj1 s VAL 46 CO 0.00 -0.92 0.61 0.00 0.00 0.00 0.00 175.10 174.79 1xj1 s VAL 48 N 2.29 4.33 0.40 0.00 -7.23 -0.69 0.67 120.40 120.15 1xj1 s VAL 48 Ca 0.09 -1.29 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 1xj1 s VAL 48 Cb -0.25 -3.43 -0.13 0.00 0.56 0.00 0.00 36.38 33.13 1xj1 s VAL 48 CO 0.06 -0.29 0.62 -2.65 -0.31 0.00 0.00 175.10 172.54 1xj1 n PRO 49 N -1.31 0.66 -0.77 4.82 -0.02 -1.26 -1.30 135.00 135.83 1xj1 n PRO 49 Ca -0.06 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1xj1 n PRO 49 Cb 0.58 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 -0.69 -0.77 -3.15 6.00 7.35 0.33 -4.64 117.46 121.89 1xj1 n PHE 50 Ca 0.12 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.85 1xj1 n PHE 50 Cb 0.38 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.21 1xj1 n PHE 50 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1xj1 s ASP 51 N -0.30 -1.10 0.00 -2.13 2.15 -1.26 -0.75 116.67 113.28 1xj1 s ASP 51 Ca 0.00 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.24 1xj1 s ASP 51 Cb 0.00 1.75 0.00 0.00 -0.30 0.00 0.00 42.92 44.37 1xj1 s ASP 51 CO 0.00 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.41