#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne5 s ARG 2 N 0.00 0.59 0.00 -1.24 1.70 -1.26 -5.08 118.95 113.66 1ne5 s ARG 2 Ca 0.00 0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 1ne5 s ARG 2 Cb 0.00 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.53 1ne5 s ARG 2 CO 0.00 -1.08 0.00 -0.40 -1.08 0.00 0.00 175.30 172.74 1ne5 n ASP 3 N 5.21 0.00 -2.79 -2.89 5.68 -1.26 -5.07 116.55 115.43 1ne5 n ASP 3 Ca 0.06 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.32 1ne5 n ASP 3 Cb 0.54 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.49 1ne5 n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ne5 n SER 4 N -0.89 -3.80 0.22 -1.12 7.64 -1.26 -4.59 113.62 109.82 1ne5 n SER 4 Ca 0.00 1.19 0.15 0.00 1.01 0.00 0.00 58.87 61.22 1ne5 n SER 4 Cb 0.00 -4.02 0.74 0.00 -1.01 0.00 0.00 64.21 59.92 1ne5 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ne5 h VAL 6 N 0.00 0.69 0.00 0.00 2.07 -1.78 0.53 116.25 117.76 1ne5 h VAL 6 Ca 0.00 -0.24 -0.30 0.00 0.82 0.00 0.00 66.70 66.98 1ne5 h VAL 6 Cb 0.17 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.80 1ne5 h VAL 6 CO 0.00 0.13 -2.29 -0.67 0.02 0.00 0.00 177.57 174.76 1ne5 n ASP 7 N -4.81 0.12 0.17 0.57 2.03 -1.10 -3.99 116.55 109.54 1ne5 n ASP 7 Ca 0.22 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.47 1ne5 n ASP 7 Cb 0.56 1.17 -0.03 0.00 -0.72 0.00 0.00 41.12 42.10 1ne5 n ASP 7 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ne5 h LYS 8 N 0.00 -0.43 -6.11 -0.67 3.64 -1.25 -3.44 116.57 108.32 1ne5 h LYS 8 Ca -0.44 0.03 -0.59 0.00 -1.27 0.00 0.00 60.65 58.38 1ne5 h LYS 8 Cb 2.00 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.87 1ne5 h LYS 8 CO 0.02 -0.29 -0.24 0.45 -2.27 0.00 0.00 179.45 177.12 1ne5 s SER 9 N -3.29 6.64 0.54 4.20 0.15 0.13 -5.07 113.70 117.01 1ne5 s SER 9 Ca -0.06 0.80 -0.03 0.00 0.70 0.00 0.00 55.95 57.35 1ne5 s SER 9 Cb 0.01 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 1ne5 s SER 9 CO 0.19 0.17 0.81 -0.60 1.20 0.00 0.00 173.24 175.02 1ne5 s ARG 10 N -1.90 2.91 0.19 5.44 3.52 -1.26 -4.59 118.95 123.26 1ne5 s ARG 10 Ca 0.33 -0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.65 1ne5 s ARG 10 Cb -0.14 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 1ne5 s ARG 10 CO 0.18 -0.57 0.16 0.00 -0.81 0.00 0.00 175.30 174.27 1ne5 n ALA 12 N -0.24 0.00 -0.08 0.00 0.00 -1.26 -4.45 120.51 114.47 1ne5 n ALA 12 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1ne5 n ALA 12 Cb 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.01 1ne5 n ALA 12 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ne5 h LYS 13 N 0.00 -0.46 -1.21 0.00 3.64 -1.96 -0.71 116.57 115.88 1ne5 h LYS 13 Ca 0.00 0.03 0.32 0.00 -1.27 0.00 0.00 60.65 59.73 1ne5 h LYS 13 Cb 0.00 0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 31.74 1ne5 h LYS 13 CO 0.00 -0.30 0.92 1.52 -2.27 0.00 0.00 179.45 179.31 1ne5 s TYR 14 N -5.70 -0.05 0.00 1.91 -0.85 -1.26 0.53 117.35 111.93 1ne5 s TYR 14 Ca -0.15 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 1ne5 s TYR 14 Cb 0.08 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.93 1ne5 s TYR 14 CO 0.62 -0.10 0.00 0.41 -1.52 0.00 0.00 175.55 174.96 1ne5 n GLY 15 N -0.13 0.43 3.60 5.49 0.00 -0.90 -4.91 105.19 108.77 1ne5 n GLY 15 Ca 0.01 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1ne5 n GLY 15 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ne5 s TYR 16 N 0.00 3.11 -0.18 1.61 6.14 -1.26 -0.93 117.35 125.83 1ne5 s TYR 16 Ca 0.00 -0.01 -0.04 0.00 0.64 0.00 0.00 57.07 57.66 1ne5 s TYR 16 Cb 0.00 -1.88 0.06 0.00 0.42 0.00 0.00 41.96 40.56 1ne5 s TYR 16 CO 0.00 0.24 0.08 -0.47 0.64 0.00 0.00 175.55 176.04 1ne5 s TYR 17 N -0.26 0.42 0.54 4.97 5.04 -1.26 -4.97 117.35 121.82 1ne5 s TYR 17 Ca 0.06 -0.48 0.37 0.00 -2.44 0.00 0.00 57.07 54.58 1ne5 s TYR 17 Cb -0.12 -0.79 1.55 0.00 0.35 0.00 0.00 41.96 42.95 1ne5 s TYR 17 CO 0.02 -0.55 1.78 0.37 -1.34 0.00 0.00 175.55 175.83 1ne5 h GLN 18 N 8.37 0.02 -0.28 4.97 5.75 -1.98 0.28 115.11 132.25 1ne5 h GLN 18 Ca -0.15 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 1ne5 h GLN 18 Cb 1.14 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1ne5 h GLN 18 CO 0.31 0.01 -0.04 1.49 -2.65 0.00 0.00 178.83 177.95 1ne5 h GLU 19 N 0.02 0.52 0.16 1.69 4.81 -1.95 -1.32 114.58 118.51 1ne5 h GLU 19 Ca 0.61 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1ne5 h GLU 19 Cb 2.40 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.75 1ne5 h GLU 19 CO -0.03 0.71 -0.08 0.00 -0.73 0.00 0.00 179.01 178.88 1ne5 h GLN 21 N -0.61 0.04 -0.21 0.00 3.07 -1.38 -1.34 115.11 114.68 1ne5 h GLN 21 Ca -0.02 -0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.54 1ne5 h GLN 21 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1ne5 h GLN 21 CO 0.04 0.03 -0.54 -0.44 0.09 0.00 0.00 178.83 178.00 1ne5 h ASP 22 N 0.04 0.84 0.98 0.06 3.32 -1.14 -2.15 116.42 118.38 1ne5 h ASP 22 Ca 0.10 -0.57 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1ne5 h ASP 22 Cb 0.37 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1ne5 h ASP 22 CO -0.01 1.26 -0.47 0.00 -1.72 0.00 0.00 179.24 178.31 1ne5 h LYS 25 N -0.52 0.41 0.00 0.00 3.11 -1.40 0.87 116.57 119.05 1ne5 h LYS 25 Ca 0.04 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 1ne5 h LYS 25 Cb 0.57 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 1ne5 h LYS 25 CO -0.22 0.27 -0.30 -0.97 -2.81 0.00 0.00 179.45 175.42 1ne5 h ASN 26 N 0.42 0.00 0.29 4.20 -0.73 -0.24 -2.63 115.58 116.89 1ne5 h ASN 26 Ca 0.57 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.61 1ne5 h ASN 26 Cb 1.07 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 1ne5 h ASN 26 CO -0.52 0.30 -0.51 0.00 -0.37 0.00 0.00 177.43 176.32 1ne5 h ALA 27 N 1.70 0.96 0.00 1.57 0.00 0.21 -3.46 119.26 120.24 1ne5 h ALA 27 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ne5 h ALA 27 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ne5 h ALA 27 CO 0.04 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1ne5 n GLY 28 N 0.06 0.14 0.00 0.00 0.00 -0.71 -5.10 105.19 99.57 1ne5 n GLY 28 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ne5 n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ne5 n HIS 29 N 0.00 0.00 -0.07 1.61 8.25 -1.11 -4.99 115.22 118.90 1ne5 n HIS 29 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1ne5 n HIS 29 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1ne5 n HIS 29 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ne5 n ASN 30 N 0.00 1.88 0.00 0.41 4.13 -1.26 -4.37 115.26 116.05 1ne5 n ASN 30 Ca 0.00 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1ne5 n ASN 30 Cb 0.00 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ne5 n GLY 31 N 2.41 1.11 3.73 7.41 0.00 -1.26 -4.04 105.19 114.54 1ne5 n GLY 31 Ca -0.27 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1ne5 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ne5 s GLY 32 N -0.61 0.45 0.30 -0.02 0.00 -1.26 -0.85 107.32 105.34 1ne5 s GLY 32 Ca 0.00 -0.78 0.11 0.00 0.00 0.00 0.00 44.72 44.05 1ne5 s GLY 32 CO 0.00 -0.42 -0.14 -1.08 0.00 0.00 0.00 173.10 171.46 1ne5 s THR 33 N -3.22 2.51 -0.21 0.90 -1.32 -0.12 -4.36 115.64 109.82 1ne5 s THR 33 Ca 0.18 -2.28 -0.08 0.00 -1.21 0.00 0.00 61.69 58.30 1ne5 s THR 33 Cb -0.04 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 1ne5 s THR 33 CO 0.11 -0.33 0.10 0.00 -2.21 0.00 0.00 174.62 172.29 1ne5 s MET 35 N 0.81 0.89 -0.98 0.00 -1.94 -0.49 -2.12 119.30 115.47 1ne5 s MET 35 Ca 0.05 -1.48 -0.12 0.00 -1.71 0.00 0.00 55.69 52.43 1ne5 s MET 35 Cb -0.13 -1.96 -0.00 0.00 2.01 0.00 0.00 34.83 34.74 1ne5 s MET 35 CO 0.02 -1.10 0.72 0.34 -0.01 0.00 0.00 175.02 175.00 1ne5 n PHE 36 N 4.19 -2.13 -1.36 -0.03 7.35 0.19 -1.03 117.46 124.63 1ne5 n PHE 36 Ca 0.05 0.66 -0.12 0.00 -0.76 0.00 0.00 57.45 57.28 1ne5 n PHE 36 Cb 0.38 -3.37 -0.05 0.00 0.35 0.00 0.00 39.48 36.79 1ne5 n PHE 36 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1ne5 n PHE 37 N -3.36 0.00 -4.28 -5.13 3.72 -0.27 -4.96 117.46 103.18 1ne5 n PHE 37 Ca -0.13 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.93 1ne5 n PHE 37 Cb 0.60 -2.68 -0.13 0.00 -0.94 0.00 0.00 39.48 36.33 1ne5 n PHE 37 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ne5 s LYS 38 N -2.97 3.48 -0.45 -1.08 1.02 -0.20 -4.29 119.74 115.25 1ne5 s LYS 38 Ca 0.00 -0.60 -0.22 0.00 0.02 0.00 0.00 55.97 55.17 1ne5 s LYS 38 Cb 0.00 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1ne5 s LYS 38 CO 0.00 0.04 0.72 0.00 -0.92 0.00 0.00 175.35 175.20 1ne5 s LYS 40 N 3.09 1.96 0.20 0.00 2.20 -0.88 -2.95 119.74 123.36 1ne5 s LYS 40 Ca 0.27 -1.87 0.02 0.00 -0.36 0.00 0.00 55.97 54.03 1ne5 s LYS 40 Cb -0.13 -1.81 0.04 0.00 -1.51 0.00 0.00 37.83 34.41 1ne5 s LYS 40 CO 0.21 0.11 0.27 0.00 -0.36 0.00 0.00 175.35 175.58