#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne5 n ARG 2 N 0.00 -2.77 0.00 -1.24 1.74 -1.26 -5.00 116.66 108.13 1ne5 n ARG 2 Ca 0.00 2.31 0.00 0.00 -0.77 0.00 0.00 57.85 59.39 1ne5 n ARG 2 Cb 0.00 -3.78 0.00 0.00 -1.02 0.00 0.00 32.46 27.66 1ne5 n ARG 2 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ne5 n ASP 3 N 1.29 0.00 -2.99 0.55 2.03 -1.26 -5.04 116.55 111.13 1ne5 n ASP 3 Ca -0.10 0.31 -0.13 0.00 0.52 0.00 0.00 54.79 55.39 1ne5 n ASP 3 Cb 0.27 -0.33 0.01 0.00 -0.72 0.00 0.00 41.12 40.35 1ne5 n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ne5 n SER 4 N -1.55 -7.36 0.33 1.67 7.64 -1.26 -4.73 113.62 108.36 1ne5 n SER 4 Ca 0.00 0.54 0.21 0.00 1.01 0.00 0.00 58.87 60.63 1ne5 n SER 4 Cb 0.00 -4.33 1.13 0.00 -1.01 0.00 0.00 64.21 60.00 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 0.63 -0.47 0.00 3.04 -1.83 -0.85 116.25 116.76 1ne5 h VAL 6 Ca 0.00 -0.11 -0.25 0.00 -1.01 0.00 0.00 66.70 65.34 1ne5 h VAL 6 Cb 0.09 0.28 -0.15 0.00 -2.01 0.00 0.00 31.29 29.50 1ne5 h VAL 6 CO -0.00 0.06 0.05 -0.67 -1.01 0.00 0.00 177.57 175.99 1ne5 n ASP 7 N -5.09 2.68 0.04 3.17 2.03 -0.93 -3.80 116.55 114.64 1ne5 n ASP 7 Ca 0.11 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.65 1ne5 n ASP 7 Cb 0.37 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1ne5 n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ne5 n LYS 8 N -1.13 0.00 -3.38 -0.67 3.00 -0.44 -5.08 118.16 110.46 1ne5 n LYS 8 Ca 0.38 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.38 1ne5 n LYS 8 Cb 1.16 -0.15 -0.05 0.00 0.00 0.00 0.00 35.03 35.98 1ne5 n LYS 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ne5 s SER 9 N -5.14 6.60 0.51 3.14 0.15 -0.51 -5.06 113.70 113.40 1ne5 s SER 9 Ca 0.00 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1ne5 s SER 9 Cb 0.00 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1ne5 s SER 9 CO 0.00 -0.10 0.00 -1.14 1.20 0.00 0.00 173.24 173.20 1ne5 n ARG 10 N -0.27 0.35 -3.85 5.44 0.63 -1.26 -4.66 116.66 113.03 1ne5 n ARG 10 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.95 1ne5 n ARG 10 Cb 0.53 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.44 1ne5 n ARG 10 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ne5 n ALA 12 N -0.74 -0.10 -0.24 0.00 0.00 -1.26 -4.59 120.51 113.58 1ne5 n ALA 12 Ca -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 53.44 52.48 1ne5 n ALA 12 Cb 0.60 0.11 0.08 0.00 0.00 0.00 0.00 19.45 20.24 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 0.79 0.00 0.00 3.64 -1.96 -1.32 116.57 117.73 1ne5 h LYS 13 Ca -0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ne5 h LYS 13 Cb 0.58 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1ne5 h LYS 13 CO 0.16 0.52 0.00 2.48 -2.27 0.00 0.00 179.45 180.35 1ne5 n TYR 14 N -4.69 0.00 0.00 1.91 0.18 -1.26 -0.98 117.16 112.32 1ne5 n TYR 14 Ca 0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.86 1ne5 n TYR 14 Cb 0.11 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.07 1ne5 n TYR 14 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ne5 n GLY 15 N -0.19 0.05 3.53 -7.48 0.00 -0.92 -4.98 105.19 95.20 1ne5 n GLY 15 Ca 0.00 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.02 3.01 -0.19 1.61 6.14 -1.26 -0.98 117.35 125.66 1ne5 s TYR 16 Ca 0.00 -0.19 -0.02 0.00 0.64 0.00 0.00 57.07 57.50 1ne5 s TYR 16 Cb 0.00 -1.88 0.06 0.00 0.42 0.00 0.00 41.96 40.55 1ne5 s TYR 16 CO 0.00 0.09 0.02 -0.47 0.64 0.00 0.00 175.55 175.83 1ne5 s TYR 17 N -0.02 1.15 0.56 4.97 5.04 -1.26 -4.95 117.35 122.84 1ne5 s TYR 17 Ca 0.01 -0.91 0.34 0.00 -2.44 0.00 0.00 57.07 54.07 1ne5 s TYR 17 Cb -0.13 -1.07 1.47 0.00 0.35 0.00 0.00 41.96 42.57 1ne5 s TYR 17 CO 0.03 -0.61 1.78 0.37 -1.34 0.00 0.00 175.55 175.78 1ne5 h GLN 18 N 8.22 0.00 -0.58 4.97 4.15 -1.98 0.38 115.11 130.27 1ne5 h GLN 18 Ca -0.17 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 1ne5 h GLN 18 Cb 1.12 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1ne5 h GLN 18 CO 0.34 0.00 -0.01 1.49 -1.93 0.00 0.00 178.83 178.72 1ne5 h GLU 19 N 0.00 1.03 0.14 1.69 4.81 -1.95 -0.78 114.58 119.53 1ne5 h GLU 19 Ca 0.46 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1ne5 h GLU 19 Cb 2.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1ne5 h GLU 19 CO -0.00 1.03 -0.07 0.00 -0.73 0.00 0.00 179.01 179.23 1ne5 h GLN 21 N -0.78 0.27 -0.17 0.00 3.07 -1.46 -1.25 115.11 114.79 1ne5 h GLN 21 Ca -0.02 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.49 1ne5 h GLN 21 Cb 0.53 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 28.04 1ne5 h GLN 21 CO 0.03 0.18 -0.73 0.22 0.09 0.00 0.00 178.83 178.62 1ne5 h ASP 22 N 0.27 0.88 0.74 0.06 3.58 -1.14 -2.29 116.42 118.53 1ne5 h ASP 22 Ca 0.16 -0.56 -0.04 0.00 0.42 0.00 0.00 57.03 57.01 1ne5 h ASP 22 Cb 0.28 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.08 1ne5 h ASP 22 CO -0.03 1.35 -0.36 0.00 -2.88 0.00 0.00 179.24 177.32 1ne5 h LYS 25 N -0.50 0.58 0.00 0.00 3.64 -1.45 0.58 116.57 119.42 1ne5 h LYS 25 Ca 0.04 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1ne5 h LYS 25 Cb 0.55 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1ne5 h LYS 25 CO -0.20 0.38 -0.34 -0.97 -2.27 0.00 0.00 179.45 176.06 1ne5 h ASN 26 N 0.60 0.00 0.68 4.20 -0.73 -0.42 -3.06 115.58 116.85 1ne5 h ASN 26 Ca 0.62 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.65 1ne5 h ASN 26 Cb 1.19 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.76 1ne5 h ASN 26 CO -0.43 0.34 -0.68 0.00 -0.37 0.00 0.00 177.43 176.29 1ne5 h ALA 27 N 1.66 0.88 0.00 1.57 0.00 0.19 -3.46 119.26 120.10 1ne5 h ALA 27 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ne5 h ALA 27 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ne5 h ALA 27 CO 0.04 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1ne5 n GLY 28 N 0.42 0.46 0.00 0.00 0.00 -0.67 -5.10 105.19 100.30 1ne5 n GLY 28 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.09 1.61 8.25 -1.09 -5.01 115.22 118.90 1ne5 n HIS 29 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1ne5 n HIS 29 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 1.72 0.00 0.41 3.02 -1.26 -4.31 115.26 114.84 1ne5 n ASN 30 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1ne5 n ASN 30 Cb 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ne5 n GLY 31 N 2.15 -0.77 0.00 7.41 0.00 -1.26 -4.14 105.19 108.59 1ne5 n GLY 31 Ca -0.33 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1ne5 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ne5 n GLY 32 N 0.00 1.97 3.16 -0.02 0.00 -1.26 -0.81 105.19 108.22 1ne5 n GLY 32 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1ne5 n GLY 32 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ne5 s THR 33 N -2.62 0.19 -0.19 2.61 -1.32 -0.10 -4.60 115.64 109.61 1ne5 s THR 33 Ca 0.00 -1.92 -0.06 0.00 -1.21 0.00 0.00 61.69 58.50 1ne5 s THR 33 Cb 0.00 -2.04 -0.03 0.00 -1.51 0.00 0.00 72.50 68.92 1ne5 s THR 33 CO 0.00 -0.48 0.04 0.00 -2.21 0.00 0.00 174.62 171.96 1ne5 s MET 35 N 0.65 0.97 -1.03 0.00 -1.94 -0.39 -2.18 119.30 115.38 1ne5 s MET 35 Ca 0.02 -1.61 -0.13 0.00 -1.71 0.00 0.00 55.69 52.26 1ne5 s MET 35 Cb -0.14 -2.02 -0.02 0.00 2.01 0.00 0.00 34.83 34.67 1ne5 s MET 35 CO 0.02 -1.13 0.78 0.34 -0.01 0.00 0.00 175.02 175.02 1ne5 n PHE 36 N 4.00 -2.18 -0.94 -0.03 7.35 -0.15 -1.34 117.46 124.17 1ne5 n PHE 36 Ca 0.06 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1ne5 n PHE 36 Cb 0.37 -3.57 0.00 0.00 0.35 0.00 0.00 39.48 36.63 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 -3.49 0.00 -4.02 -5.13 3.72 -0.50 -4.96 117.46 103.09 1ne5 n PHE 37 Ca -0.10 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.95 1ne5 n PHE 37 Cb 0.59 -1.41 -0.11 0.00 -0.94 0.00 0.00 39.48 37.61 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 -1.35 3.78 -0.30 -1.08 1.02 -0.45 -4.35 119.74 117.02 1ne5 s LYS 38 Ca 0.00 -0.44 -0.21 0.00 0.02 0.00 0.00 55.97 55.35 1ne5 s LYS 38 Cb 0.00 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1ne5 s LYS 38 CO 0.00 0.10 0.64 0.00 -0.92 0.00 0.00 175.35 175.17 1ne5 s LYS 40 N 2.62 1.49 0.21 0.00 2.47 -0.90 -3.04 119.74 122.58 1ne5 s LYS 40 Ca 0.26 -1.67 0.01 0.00 -1.56 0.00 0.00 55.97 53.01 1ne5 s LYS 40 Cb -0.15 -1.41 0.04 0.00 -1.46 0.00 0.00 37.83 34.85 1ne5 s LYS 40 CO 0.11 0.25 0.29 0.00 0.16 0.00 0.00 175.35 176.16