#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 0.07 0.00 0.11 3.52 -1.26 -5.09 118.95 116.31 1ne5 s ARG 2 Ca 0.00 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 1ne5 s ARG 2 Cb 0.00 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1ne5 s ARG 2 CO 0.00 -0.10 0.59 -3.47 -0.81 0.00 0.00 175.30 171.51 1ne5 n ASP 3 N 5.38 0.00 -2.68 -2.12 2.03 -1.26 -5.02 116.55 112.87 1ne5 n ASP 3 Ca -0.04 0.76 -0.01 0.00 0.52 0.00 0.00 54.79 56.01 1ne5 n ASP 3 Cb 0.55 -0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.83 -6.21 0.08 1.67 7.64 -1.26 -4.84 113.62 108.87 1ne5 n SER 4 Ca 0.00 1.42 0.09 0.00 1.01 0.00 0.00 58.87 61.39 1ne5 n SER 4 Cb 0.00 -5.33 0.41 0.00 -1.01 0.00 0.00 64.21 58.28 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 0.75 -0.57 0.00 2.07 -1.83 0.15 116.25 116.82 1ne5 h VAL 6 Ca 0.00 -0.10 -0.30 0.00 0.82 0.00 0.00 66.70 67.12 1ne5 h VAL 6 Cb 0.29 0.44 -0.18 0.00 -1.52 0.00 0.00 31.29 30.32 1ne5 h VAL 6 CO 0.00 0.05 0.15 -0.67 0.02 0.00 0.00 177.57 177.12 1ne5 n ASP 7 N -5.08 2.95 0.01 0.57 -0.08 -1.20 -4.07 116.55 109.65 1ne5 n ASP 7 Ca 0.06 -3.74 0.00 0.00 -1.51 0.00 0.00 54.79 49.60 1ne5 n ASP 7 Cb 0.24 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.00 1ne5 n ASP 7 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ne5 n LYS 8 N -1.13 0.00 -3.55 -0.67 4.81 -0.76 -5.02 118.16 111.84 1ne5 n LYS 8 Ca 0.42 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.45 1ne5 n LYS 8 Cb 1.23 -0.22 -0.11 0.00 0.02 0.00 0.00 35.03 35.96 1ne5 n LYS 8 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ne5 s SER 9 N -5.03 5.85 1.21 3.14 0.15 0.46 -5.06 113.70 114.42 1ne5 s SER 9 Ca 0.00 -1.01 -0.17 0.00 0.70 0.00 0.00 55.95 55.46 1ne5 s SER 9 Cb 0.00 -2.07 0.27 0.00 -1.71 0.00 0.00 66.02 62.51 1ne5 s SER 9 CO 0.00 -0.42 0.61 -1.14 1.20 0.00 0.00 173.24 173.48 1ne5 n ARG 10 N 5.05 -3.05 -3.83 5.44 0.63 -1.26 -4.37 116.66 115.26 1ne5 n ARG 10 Ca -0.11 -1.02 -0.07 0.00 -0.92 0.00 0.00 57.85 55.73 1ne5 n ARG 10 Cb 0.46 -1.56 -0.00 0.00 0.45 0.00 0.00 32.46 31.81 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 -0.49 -0.18 -0.28 0.00 0.00 -1.26 -4.35 120.51 113.94 1ne5 n ALA 12 Ca -0.06 -1.51 0.10 0.00 0.00 0.00 0.00 53.44 51.98 1ne5 n ALA 12 Cb 0.59 0.18 0.24 0.00 0.00 0.00 0.00 19.45 20.46 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 0.17 0.00 0.00 3.64 -1.96 -0.27 116.57 118.15 1ne5 h LYS 13 Ca -0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1ne5 h LYS 13 Cb 0.96 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1ne5 h LYS 13 CO 0.27 0.11 0.00 2.48 -2.27 0.00 0.00 179.45 180.05 1ne5 n TYR 14 N -5.26 0.00 0.00 1.91 0.18 -1.26 -0.10 117.16 112.63 1ne5 n TYR 14 Ca 0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.97 1ne5 n TYR 14 Cb 0.60 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 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 -0.39 0.56 3.82 -7.48 0.00 -0.91 -4.94 105.19 95.85 1ne5 n GLY 15 Ca 0.00 -1.64 -0.37 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 0.00 3.57 -0.19 1.61 6.14 -1.26 -1.13 117.35 126.10 1ne5 s TYR 16 Ca 0.00 0.60 -0.04 0.00 0.64 0.00 0.00 57.07 58.27 1ne5 s TYR 16 Cb 0.00 -2.11 0.08 0.00 0.42 0.00 0.00 41.96 40.35 1ne5 s TYR 16 CO 0.00 0.57 0.17 -0.47 0.64 0.00 0.00 175.55 176.46 1ne5 s TYR 17 N -0.58 -0.10 0.52 4.97 5.04 -1.26 -4.97 117.35 120.97 1ne5 s TYR 17 Ca 0.16 0.04 0.31 0.00 -2.44 0.00 0.00 57.07 55.14 1ne5 s TYR 17 Cb -0.13 -0.48 1.45 0.00 0.35 0.00 0.00 41.96 43.16 1ne5 s TYR 17 CO 0.05 -0.56 1.86 0.37 -1.34 0.00 0.00 175.55 175.93 1ne5 h GLN 18 N 8.35 0.05 0.17 4.97 4.15 -1.99 -0.55 115.11 130.26 1ne5 h GLN 18 Ca -0.16 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1ne5 h GLN 18 Cb 1.15 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1ne5 h GLN 18 CO 0.28 0.03 -0.08 0.93 -1.93 0.00 0.00 178.83 178.06 1ne5 h GLU 19 N 0.05 -0.22 0.13 1.69 5.08 -1.95 -1.01 114.58 118.36 1ne5 h GLU 19 Ca 0.47 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 1ne5 h GLU 19 Cb 1.78 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1ne5 h GLU 19 CO -0.03 0.06 -0.06 0.00 -1.00 0.00 0.00 179.01 177.97 1ne5 h GLN 21 N -0.19 -0.18 -1.01 0.00 1.08 -1.35 -0.83 115.11 112.64 1ne5 h GLN 21 Ca -0.02 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 1ne5 h GLN 21 Cb 0.14 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.54 1ne5 h GLN 21 CO 0.03 -0.12 0.64 -0.44 -0.95 0.00 0.00 178.83 177.99 1ne5 h ASP 22 N -0.19 0.97 0.50 1.46 5.19 -1.05 -2.50 116.42 120.79 1ne5 h ASP 22 Ca 0.12 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1ne5 h ASP 22 Cb 0.38 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1ne5 h ASP 22 CO -0.32 0.55 -0.24 0.00 -3.12 0.00 0.00 179.24 176.11 1ne5 h LYS 25 N -0.35 0.53 -0.02 0.00 1.57 -1.54 0.13 116.57 116.89 1ne5 h LYS 25 Ca 0.06 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ne5 h LYS 25 Cb 0.50 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ne5 h LYS 25 CO -0.48 0.35 0.02 -0.97 -0.57 0.00 0.00 179.45 177.79 1ne5 h ASN 26 N 0.54 0.00 0.71 0.86 -0.73 -0.57 -1.08 115.58 115.31 1ne5 h ASN 26 Ca 0.37 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.32 1ne5 h ASN 26 Cb 0.46 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 1ne5 h ASN 26 CO -0.31 0.00 -1.01 0.00 -0.37 0.00 0.00 177.43 175.73 1ne5 h ALA 27 N 1.99 0.35 0.00 1.57 0.00 0.11 -3.47 119.26 119.81 1ne5 h ALA 27 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1ne5 h ALA 27 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ne5 h ALA 27 CO -0.00 1.02 0.00 0.41 0.00 0.00 0.00 179.25 180.68 1ne5 n GLY 28 N 1.19 0.51 0.00 0.00 0.00 -0.41 -5.11 105.19 101.36 1ne5 n GLY 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.61 8.25 -1.04 -4.99 115.22 119.05 1ne5 n HIS 29 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ne5 n HIS 29 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 3.95 -3.19 0.41 4.13 -1.26 -4.35 115.26 114.94 1ne5 n ASN 30 Ca 0.00 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.28 1ne5 n ASN 30 Cb 0.00 0.04 0.01 0.00 -1.54 0.00 0.00 39.78 38.29 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 3.39 0.31 0.00 7.41 0.00 -1.26 -4.59 105.19 110.45 1ne5 n GLY 31 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.71 3.64 3.14 -0.02 0.00 -1.26 -0.69 105.19 109.29 1ne5 n GLY 32 Ca 0.03 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.34 0.14 -0.19 2.61 -1.32 -0.10 -4.85 115.64 109.59 1ne5 s THR 33 Ca 0.00 -1.12 -0.13 0.00 -1.21 0.00 0.00 61.69 59.23 1ne5 s THR 33 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1ne5 s THR 33 CO 0.00 -0.62 0.24 0.00 -2.21 0.00 0.00 174.62 172.04 1ne5 s MET 35 N 0.62 0.46 -0.98 0.00 -1.94 -0.40 -2.15 119.30 114.91 1ne5 s MET 35 Ca 0.13 -0.90 -0.12 0.00 -1.71 0.00 0.00 55.69 53.10 1ne5 s MET 35 Cb -0.13 -1.49 -0.00 0.00 2.01 0.00 0.00 34.83 35.22 1ne5 s MET 35 CO 0.03 -1.05 0.73 0.34 -0.01 0.00 0.00 175.02 175.06 1ne5 n PHE 36 N 4.84 -2.17 -1.18 -0.03 7.35 0.86 -1.27 117.46 125.87 1ne5 n PHE 36 Ca -0.01 0.69 -0.06 0.00 -0.76 0.00 0.00 57.45 57.30 1ne5 n PHE 36 Cb 0.41 -3.42 -0.03 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 -3.30 0.00 -4.62 -5.13 3.72 -0.11 -4.96 117.46 103.06 1ne5 n PHE 37 Ca -0.13 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.94 1ne5 n PHE 37 Cb 0.59 -2.20 -0.12 0.00 -0.94 0.00 0.00 39.48 36.82 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 -2.34 2.95 -0.35 -1.08 1.02 -0.40 -3.77 119.74 115.76 1ne5 s LYS 38 Ca 0.00 -0.57 -0.11 0.00 0.02 0.00 0.00 55.97 55.31 1ne5 s LYS 38 Cb 0.00 -2.63 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1ne5 s LYS 38 CO 0.00 0.55 0.20 0.00 -0.92 0.00 0.00 175.35 175.18 1ne5 s LYS 40 N 1.61 1.81 0.15 0.00 2.20 -0.94 -3.07 119.74 121.50 1ne5 s LYS 40 Ca 0.04 -1.77 0.02 0.00 -0.36 0.00 0.00 55.97 53.90 1ne5 s LYS 40 Cb -0.18 -1.81 0.02 0.00 -1.51 0.00 0.00 37.83 34.35 1ne5 s LYS 40 CO 0.07 0.28 0.19 0.00 -0.36 0.00 0.00 175.35 175.53