#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 0.39 2.79 0.00 0.00 2.07 0.77 -4.82 121.20 122.40 1xj1 s ILE 8 Ca 0.66 0.26 0.00 0.00 -1.41 0.00 0.00 60.65 60.16 1xj1 s ILE 8 Cb -0.47 -3.24 0.00 0.00 0.13 0.00 0.00 42.46 38.88 1xj1 s ILE 8 CO 0.42 -0.34 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 1xj1 n GLY 9 N -3.09 0.01 3.16 1.50 0.00 -1.26 -3.98 105.19 101.52 1xj1 n GLY 9 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 0.34 -0.51 -0.93 1.61 -3.43 -1.26 -4.91 115.29 106.19 1xj1 s HIS 10 Ca 0.00 1.11 -0.05 0.00 -0.80 0.00 0.00 55.06 55.33 1xj1 s HIS 10 Cb 0.00 0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 31.25 1xj1 s HIS 10 CO 0.00 -0.33 0.83 0.66 -2.00 0.00 0.00 174.74 173.90 1xj1 n TYR 11 N 4.59 -2.40 -4.26 0.38 4.02 0.42 -5.00 117.16 114.91 1xj1 n TYR 11 Ca -0.19 0.85 -0.30 0.00 -0.01 0.00 0.00 57.90 58.25 1xj1 n TYR 11 Cb 0.53 -4.01 -0.10 0.00 -0.02 0.00 0.00 39.34 35.74 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 -4.08 2.30 -0.59 -0.72 2.00 -0.92 -4.78 119.66 112.86 1xj1 s GLN 12 Ca 0.36 -0.92 -0.28 0.00 -2.00 0.00 0.00 55.36 52.51 1xj1 s GLN 12 Cb -0.05 -2.39 0.03 0.00 0.80 0.00 0.00 33.01 31.40 1xj1 s GLN 12 CO 0.69 0.53 1.22 0.15 -0.50 0.00 0.00 175.29 177.39 1xj1 s LYS 13 N -2.06 3.47 -0.28 1.67 1.02 -1.26 0.12 119.74 122.42 1xj1 s LYS 13 Ca 0.21 0.22 0.09 0.00 0.02 0.00 0.00 55.97 56.52 1xj1 s LYS 13 Cb -0.11 -4.04 0.69 0.00 -0.52 0.00 0.00 37.83 33.85 1xj1 s LYS 13 CO 0.13 -1.74 1.69 0.00 -0.92 0.00 0.00 175.35 174.51 1xj1 n VAL 15 N 0.03 1.30 0.11 0.00 0.31 -1.24 -4.53 118.33 114.32 1xj1 n VAL 15 Ca 0.35 -0.37 0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1xj1 n VAL 15 Cb 1.26 -1.71 0.32 0.00 -0.91 0.00 0.00 33.84 32.79 1xj1 n VAL 15 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1xj1 h ASN 16 N -0.67 0.22 -3.71 4.52 4.21 -1.91 -3.45 115.58 114.79 1xj1 h ASN 16 Ca -0.58 -0.07 -0.29 0.00 1.21 0.00 0.00 56.30 56.57 1xj1 h ASN 16 Cb 1.58 -0.06 -0.07 0.00 -1.12 0.00 0.00 38.32 38.66 1xj1 h ASN 16 CO -0.31 0.49 -0.25 0.00 -1.29 0.00 0.00 177.43 176.08 1xj1 n ALA 17 N -2.48 0.32 -3.75 -0.83 0.00 -1.26 -5.12 120.51 107.39 1xj1 n ALA 17 Ca -0.01 -1.08 -0.29 0.00 0.00 0.00 0.00 53.44 52.06 1xj1 n ALA 17 Cb 0.37 0.76 -0.12 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.31 3.72 -0.04 0.00 1.01 -1.26 -4.66 116.67 113.13 1xj1 s ASP 18 Ca 0.13 -3.13 0.05 0.00 0.71 0.00 0.00 52.55 50.31 1xj1 s ASP 18 Cb 0.01 -1.20 -0.02 0.00 1.01 0.00 0.00 42.92 42.72 1xj1 s ASP 18 CO 0.09 -0.19 -0.18 -0.54 0.21 0.00 0.00 175.17 174.56 1xj1 s LYS 19 N -0.33 2.40 0.36 8.23 1.02 -1.26 -5.12 119.74 125.04 1xj1 s LYS 19 Ca 0.22 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 1xj1 s LYS 19 Cb -0.14 -2.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 1xj1 s LYS 19 CO -0.08 0.60 1.07 -1.25 -0.92 0.00 0.00 175.35 174.77 1xj1 s PRO 20 N -0.69 4.31 -0.50 -1.68 0.04 -1.24 -4.88 135.00 130.37 1xj1 s PRO 20 Ca 0.11 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.60 1xj1 s PRO 20 Cb -0.10 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.74 1xj1 s PRO 20 CO 0.00 -0.04 0.53 0.00 0.04 0.00 0.00 177.00 177.53 1xj1 s SER 23 N -2.91 1.03 -0.24 0.00 0.15 -1.26 -4.35 113.70 106.12 1xj1 s SER 23 Ca 0.61 -1.51 -0.03 0.00 0.70 0.00 0.00 55.95 55.72 1xj1 s SER 23 Cb -0.11 0.39 0.11 0.00 -1.71 0.00 0.00 66.02 64.70 1xj1 s SER 23 CO 0.51 -0.88 0.24 -0.54 1.20 0.00 0.00 173.24 173.76 1xj1 s LYS 24 N -3.90 0.23 -0.08 5.44 -0.14 -0.91 -5.03 119.74 115.35 1xj1 s LYS 24 Ca 0.38 0.03 -0.00 0.00 -1.36 0.00 0.00 55.97 55.02 1xj1 s LYS 24 Cb 0.06 -1.04 0.02 0.00 -1.68 0.00 0.00 37.83 35.19 1xj1 s LYS 24 CO 0.17 -0.80 -0.04 -0.08 -0.76 0.00 0.00 175.35 173.83 1xj1 s THR 25 N 2.32 0.68 1.10 2.17 -1.32 -1.26 -0.09 115.64 119.24 1xj1 s THR 25 Ca 0.08 -0.12 -0.16 0.00 -1.21 0.00 0.00 61.69 60.28 1xj1 s THR 25 Cb -0.15 -0.74 0.24 0.00 -1.51 0.00 0.00 72.50 70.34 1xj1 s THR 25 CO -0.21 0.29 1.12 0.68 -2.21 0.00 0.00 174.62 174.30 1xj1 s VAL 26 N 1.50 1.78 -0.03 5.08 -7.23 -1.11 -5.05 120.40 115.34 1xj1 s VAL 26 Ca -0.01 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.87 1xj1 s VAL 26 Cb -0.13 -2.55 0.10 0.00 0.56 0.00 0.00 36.38 34.36 1xj1 s VAL 26 CO -0.04 0.00 0.88 0.00 -0.31 0.00 0.00 175.10 175.63 1xj1 s ARG 27 N -5.30 0.81 0.48 4.82 1.70 -1.26 -4.94 118.95 115.28 1xj1 s ARG 27 Ca 0.69 -0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.78 1xj1 s ARG 27 Cb -0.12 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 1xj1 s ARG 27 CO 0.56 -0.33 0.00 0.98 -1.08 0.00 0.00 175.30 175.43 1xj1 n TYR 28 N 0.06 -3.99 -0.46 5.89 4.19 -1.26 -4.85 117.16 116.74 1xj1 n TYR 28 Ca -0.10 2.13 0.00 0.00 3.31 0.00 0.00 57.90 63.23 1xj1 n TYR 28 Cb 0.61 -3.29 0.00 0.00 0.49 0.00 0.00 39.34 37.14 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 -1.02 0.74 2.50 2.98 0.00 -1.26 -4.72 105.19 104.42 1xj1 n GLY 29 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1xj1 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xj1 n ASP 30 N 0.00 -4.49 -3.44 1.61 2.03 -1.26 -5.08 116.55 105.93 1xj1 n ASP 30 Ca 0.00 1.58 0.01 0.00 0.52 0.00 0.00 54.79 56.90 1xj1 n ASP 30 Cb 0.00 -5.15 -0.05 0.00 -0.72 0.00 0.00 41.12 35.20 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1xj1 s SER 31 N -0.62 -0.45 -0.95 1.67 0.15 -1.26 -5.10 113.70 107.14 1xj1 s SER 31 Ca -0.16 0.64 -0.17 0.00 0.70 0.00 0.00 55.95 56.96 1xj1 s SER 31 Cb 0.01 1.43 0.15 0.00 -1.71 0.00 0.00 66.02 65.90 1xj1 s SER 31 CO 0.42 -0.09 1.12 -0.75 1.20 0.00 0.00 173.24 175.14 1xj1 s LYS 32 N 2.05 3.67 -0.10 5.44 2.20 -1.26 -4.81 119.74 126.93 1xj1 s LYS 32 Ca -0.04 -1.99 -0.04 0.00 -0.36 0.00 0.00 55.97 53.55 1xj1 s LYS 32 Cb -0.04 -4.86 0.05 0.00 -1.51 0.00 0.00 37.83 31.47 1xj1 s LYS 32 CO -0.16 -1.70 0.17 1.21 -0.36 0.00 0.00 175.35 174.51 1xj1 s ASN 33 N 3.29 0.87 -0.03 1.43 3.84 -1.26 -5.13 114.94 117.95 1xj1 s ASN 33 Ca 0.32 0.24 -0.02 0.00 0.21 0.00 0.00 52.86 53.61 1xj1 s ASN 33 Cb -0.05 0.28 0.01 0.00 -0.55 0.00 0.00 41.25 40.94 1xj1 s ASN 33 CO -0.08 -0.26 0.08 0.54 -2.79 0.00 0.00 177.10 174.59 1xj1 s VAL 34 N 2.30 -0.01 -0.11 -5.21 0.11 -1.26 -2.74 120.40 113.48 1xj1 s VAL 34 Ca 0.03 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1xj1 s VAL 34 Cb -0.13 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1xj1 s VAL 34 CO -0.07 0.02 -0.18 -0.60 -3.33 0.00 0.00 175.10 170.95 1xj1 s ARG 35 N 0.29 2.45 0.25 1.54 6.06 0.87 -4.75 118.95 125.66 1xj1 s ARG 35 Ca -0.02 -0.65 0.10 0.00 -2.50 0.00 0.00 55.73 52.66 1xj1 s ARG 35 Cb -0.03 -2.00 -0.04 0.00 0.06 0.00 0.00 34.95 32.93 1xj1 s ARG 35 CO -0.01 0.00 -0.08 0.21 -2.50 0.00 0.00 175.30 172.92 1xj1 s LYS 36 N 0.80 2.05 -0.17 5.12 2.47 -0.79 -2.14 119.74 127.08 1xj1 s LYS 36 Ca -0.10 -1.50 -0.01 0.00 -1.56 0.00 0.00 55.97 52.80 1xj1 s LYS 36 Cb -0.16 -2.04 0.05 0.00 -1.46 0.00 0.00 37.83 34.22 1xj1 s LYS 36 CO 0.01 0.37 -0.02 -0.06 0.16 0.00 0.00 175.35 175.80 1xj1 s PHE 37 N -2.25 1.49 0.17 4.03 0.08 -1.26 0.12 117.98 120.36 1xj1 s PHE 37 Ca 0.30 -1.00 0.09 0.00 0.12 0.00 0.00 56.93 56.43 1xj1 s PHE 37 Cb -0.06 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1xj1 s PHE 37 CO 0.17 -0.60 -0.11 0.96 -0.10 0.00 0.00 175.22 175.54 1xj1 s ILE 38 N 1.70 3.12 -0.43 0.64 -5.25 -0.07 -4.84 121.20 116.06 1xj1 s ILE 38 Ca -0.00 -1.65 -0.24 0.00 -0.99 0.00 0.00 60.65 57.77 1xj1 s ILE 38 Cb -0.16 -2.53 0.02 0.00 2.95 0.00 0.00 42.46 42.74 1xj1 s ILE 38 CO -0.07 -0.08 0.83 0.00 -1.79 0.00 0.00 174.94 173.82 1xj1 s ASP 40 N 2.09 6.33 -0.33 0.00 2.15 0.26 -4.84 116.67 122.32 1xj1 s ASP 40 Ca 0.32 -0.43 0.10 0.00 0.43 0.00 0.00 52.55 52.97 1xj1 s ASP 40 Cb -0.12 -2.37 0.74 0.00 -0.30 0.00 0.00 42.92 40.87 1xj1 s ASP 40 CO 0.22 -1.00 1.80 0.54 -0.17 0.00 0.00 175.17 176.56 1xj1 n ARG 41 N 6.78 3.60 -1.54 4.34 1.74 -1.26 -1.62 116.66 128.70 1xj1 n ARG 41 Ca -0.01 -3.09 -0.28 0.00 -0.77 0.00 0.00 57.85 53.70 1xj1 n ARG 41 Cb 0.47 -2.20 -0.05 0.00 -1.02 0.00 0.00 32.46 29.66 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 -0.24 6.59 0.00 0.55 2.03 -1.26 -4.32 116.55 119.90 1xj1 n ASP 42 Ca 0.42 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1xj1 n ASP 42 Cb 1.39 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xj1 n GLY 43 N 0.86 1.83 1.93 0.27 0.00 -1.26 -5.00 105.19 103.82 1xj1 n GLY 43 Ca 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.00 0.00 1.61 4.07 -1.26 -5.11 120.64 119.95 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xj1 n GLU 44 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xj1 n GLY 45 N 0.30 0.12 3.53 8.31 0.00 -0.64 -4.82 105.19 111.98 1xj1 n GLY 45 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 2.91 -0.36 1.61 -7.23 -0.77 -2.04 120.40 114.52 1xj1 s VAL 46 Ca 0.00 -1.86 -0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1xj1 s VAL 46 Cb 0.00 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.50 1xj1 s VAL 46 CO 0.00 -0.16 0.72 0.00 -0.31 0.00 0.00 175.10 175.34 1xj1 s VAL 48 N 2.93 1.88 0.72 0.00 -7.23 0.60 0.16 120.40 119.46 1xj1 s VAL 48 Ca 0.28 -2.19 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 1xj1 s VAL 48 Cb -0.14 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1xj1 s VAL 48 CO 0.16 -0.33 0.77 -2.65 -0.31 0.00 0.00 175.10 172.73 1xj1 n PRO 49 N -0.60 0.42 -3.84 4.82 -0.02 -1.26 -0.90 135.00 133.62 1xj1 n PRO 49 Ca -0.06 0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 1xj1 n PRO 49 Cb 0.63 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xj1 s PHE 50 N -1.85 -0.09 -0.00 6.00 5.36 0.33 -4.65 117.98 123.07 1xj1 s PHE 50 Ca 0.70 -0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 56.21 1xj1 s PHE 50 Cb -0.35 0.75 0.01 0.00 -0.34 0.00 0.00 43.02 43.09 1xj1 s PHE 50 CO 0.54 -1.35 0.03 -3.47 -1.46 0.00 0.00 175.22 169.51 1xj1 n ASP 51 N -0.77 -8.50 0.00 6.13 -0.08 -1.26 -1.89 116.55 110.18 1xj1 n ASP 51 Ca -0.05 1.82 0.00 0.00 -1.51 0.00 0.00 54.79 55.05 1xj1 n ASP 51 Cb 0.59 -5.21 0.00 0.00 2.34 0.00 0.00 41.12 38.84 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93