#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 2.34 0.00 -1.24 0.63 -1.26 -4.65 116.66 112.48 1ne5 n ARG 2 Ca 0.00 -3.07 0.00 0.00 -0.92 0.00 0.00 57.85 53.86 1ne5 n ARG 2 Cb 0.00 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1ne5 n ARG 2 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ne5 n ASP 3 N -1.10 0.00 -3.41 6.15 9.92 -1.26 -5.03 116.55 121.82 1ne5 n ASP 3 Ca 0.60 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.71 1ne5 n ASP 3 Cb 1.45 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.95 1ne5 n ASP 3 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ne5 n SER 4 N -1.07 -6.38 0.26 -2.24 7.64 -1.26 -4.86 113.62 105.71 1ne5 n SER 4 Ca 0.00 -0.59 0.09 0.00 1.01 0.00 0.00 58.87 59.38 1ne5 n SER 4 Cb 0.00 -4.00 0.68 0.00 -1.01 0.00 0.00 64.21 59.88 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 0.06 -0.79 0.00 3.04 -1.89 0.26 116.25 116.93 1ne5 h VAL 6 Ca -0.00 -0.01 -0.57 0.00 -1.01 0.00 0.00 66.70 65.11 1ne5 h VAL 6 Cb 0.12 0.03 -0.41 0.00 -2.01 0.00 0.00 31.29 29.02 1ne5 h VAL 6 CO 0.01 0.01 -0.54 -0.67 -1.01 0.00 0.00 177.57 175.36 1ne5 n ASP 7 N -5.44 5.37 0.00 3.17 2.03 -1.11 -3.89 116.55 116.68 1ne5 n ASP 7 Ca 0.24 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1ne5 n ASP 7 Cb 0.77 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.75 0.00 -4.00 -0.67 4.81 0.85 -5.09 118.16 113.32 1ne5 n LYS 8 Ca 0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.60 1ne5 n LYS 8 Cb 0.92 -0.42 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 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 -4.50 5.86 0.37 3.14 0.15 -0.77 -5.07 113.70 112.89 1ne5 s SER 9 Ca 0.00 0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.65 1ne5 s SER 9 Cb 0.00 -1.68 -0.07 0.00 -1.71 0.00 0.00 66.02 62.55 1ne5 s SER 9 CO 0.00 0.19 0.75 -0.60 1.20 0.00 0.00 173.24 174.77 1ne5 s ARG 10 N -2.34 3.86 0.35 5.44 3.52 -1.26 -4.67 118.95 123.84 1ne5 s ARG 10 Ca 0.30 0.53 0.03 0.00 -0.13 0.00 0.00 55.73 56.47 1ne5 s ARG 10 Cb -0.12 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 1ne5 s ARG 10 CO 0.23 0.05 0.11 0.00 -0.81 0.00 0.00 175.30 174.88 1ne5 n ALA 12 N -0.73 -0.05 -0.26 0.00 0.00 -1.26 -4.51 120.51 113.70 1ne5 n ALA 12 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 1ne5 n ALA 12 Cb 0.66 0.05 0.11 0.00 0.00 0.00 0.00 19.45 20.27 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 0.77 0.00 0.00 3.64 -1.95 -0.27 116.57 118.76 1ne5 h LYS 13 Ca -0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ne5 h LYS 13 Cb 0.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1ne5 h LYS 13 CO 0.08 0.51 0.00 2.48 -2.27 0.00 0.00 179.45 180.25 1ne5 n TYR 14 N -4.72 0.00 0.00 1.91 0.18 -1.26 -1.12 117.16 112.15 1ne5 n TYR 14 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 1ne5 n TYR 14 Cb 0.16 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.12 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 -0.29 0.20 3.50 -7.48 0.00 -0.90 -4.98 105.19 95.24 1ne5 n GLY 15 Ca 0.00 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 3.09 -0.22 1.61 6.14 -1.26 -1.43 117.35 125.28 1ne5 s TYR 16 Ca 0.00 -0.29 0.01 0.00 0.64 0.00 0.00 57.07 57.44 1ne5 s TYR 16 Cb 0.00 -2.08 0.05 0.00 0.42 0.00 0.00 41.96 40.35 1ne5 s TYR 16 CO 0.00 -0.12 -0.09 -0.47 0.64 0.00 0.00 175.55 175.51 1ne5 s TYR 17 N 0.81 2.66 0.58 4.97 5.04 -1.26 -4.99 117.35 125.16 1ne5 s TYR 17 Ca 0.01 -1.84 0.29 0.00 -2.44 0.00 0.00 57.07 53.10 1ne5 s TYR 17 Cb -0.14 -1.71 1.44 0.00 0.35 0.00 0.00 41.96 41.90 1ne5 s TYR 17 CO 0.02 -0.79 1.85 0.37 -1.34 0.00 0.00 175.55 175.66 1ne5 h GLN 18 N 7.91 0.00 -0.31 4.97 5.75 -1.98 0.22 115.11 131.67 1ne5 h GLN 18 Ca -0.23 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.10 1ne5 h GLN 18 Cb 1.08 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 1ne5 h GLN 18 CO 0.46 0.00 -0.45 1.49 -2.65 0.00 0.00 178.83 177.68 1ne5 h GLU 19 N 0.00 0.86 -0.06 1.69 4.81 -1.94 -1.55 114.58 118.39 1ne5 h GLU 19 Ca 0.28 -0.50 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1ne5 h GLU 19 Cb 1.44 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1ne5 h GLU 19 CO -0.00 1.14 -0.10 0.00 -0.73 0.00 0.00 179.01 179.32 1ne5 h GLN 21 N -0.33 0.25 -0.21 0.00 3.07 -1.40 -2.31 115.11 114.18 1ne5 h GLN 21 Ca 0.00 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 1ne5 h GLN 21 Cb 0.66 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.18 1ne5 h GLN 21 CO 0.02 0.29 -0.19 -0.44 0.09 0.00 0.00 178.83 178.61 1ne5 h ASP 22 N 0.24 0.53 0.78 0.06 3.32 -1.25 -2.21 116.42 117.89 1ne5 h ASP 22 Ca 0.06 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 1ne5 h ASP 22 Cb 0.21 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ne5 h ASP 22 CO 0.01 0.88 -0.45 0.00 -1.72 0.00 0.00 179.24 177.96 1ne5 h LYS 25 N -0.52 0.62 0.00 0.00 3.11 -1.39 0.60 116.57 118.99 1ne5 h LYS 25 Ca 0.06 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 1ne5 h LYS 25 Cb 0.62 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1ne5 h LYS 25 CO -0.34 0.41 -0.30 -0.97 -2.81 0.00 0.00 179.45 175.44 1ne5 h ASN 26 N 0.64 0.00 0.65 4.20 -0.73 0.18 -2.83 115.58 117.69 1ne5 h ASN 26 Ca 0.60 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.59 1ne5 h ASN 26 Cb 1.10 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.67 1ne5 h ASN 26 CO -0.39 0.30 -0.80 0.00 -0.37 0.00 0.00 177.43 176.17 1ne5 h ALA 27 N 1.70 0.66 0.00 1.57 0.00 0.16 -3.47 119.26 119.89 1ne5 h ALA 27 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ne5 h ALA 27 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ne5 h ALA 27 CO 0.04 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1ne5 n GLY 28 N 0.71 0.38 0.00 0.00 0.00 -0.69 -5.11 105.19 100.48 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 -0.11 1.61 8.25 -1.12 -5.00 115.22 118.85 1ne5 n HIS 29 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 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 -1.71 0.64 0.00 0.00 176.34 175.27 1ne5 n ASN 30 N 0.00 1.56 0.00 0.41 5.15 -1.26 -4.32 115.26 116.80 1ne5 n ASN 30 Ca 0.00 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1ne5 n ASN 30 Cb 0.00 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ne5 n GLY 31 N 1.65 1.40 3.73 8.20 0.00 -1.26 -4.20 105.19 114.71 1ne5 n GLY 31 Ca -0.41 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.46 0.24 0.35 -0.02 0.00 -1.26 -0.83 107.32 105.34 1ne5 s GLY 32 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 44.72 44.19 1ne5 s GLY 32 CO 0.00 -0.36 0.14 -1.08 0.00 0.00 0.00 173.10 171.80 1ne5 s THR 33 N -3.87 2.94 -0.18 0.90 -1.32 -0.04 -4.31 115.64 109.75 1ne5 s THR 33 Ca 0.17 -1.71 -0.01 0.00 -1.21 0.00 0.00 61.69 58.93 1ne5 s THR 33 Cb -0.03 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.00 1ne5 s THR 33 CO 0.08 -0.17 -0.13 0.00 -2.21 0.00 0.00 174.62 172.19 1ne5 s MET 35 N 1.19 1.00 -0.60 0.00 -1.94 -0.41 -2.11 119.30 116.42 1ne5 s MET 35 Ca 0.02 -1.31 -0.21 0.00 -1.71 0.00 0.00 55.69 52.48 1ne5 s MET 35 Cb -0.14 -2.40 0.03 0.00 2.01 0.00 0.00 34.83 34.33 1ne5 s MET 35 CO -0.06 -0.94 0.64 0.34 -0.01 0.00 0.00 175.02 174.99 1ne5 n PHE 36 N 4.66 -2.56 -1.46 -0.03 7.35 -0.27 -0.84 117.46 124.30 1ne5 n PHE 36 Ca -0.01 1.06 -0.15 0.00 -0.76 0.00 0.00 57.45 57.58 1ne5 n PHE 36 Cb 0.42 -2.49 -0.07 0.00 0.35 0.00 0.00 39.48 37.69 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 -1.15 -0.27 -4.89 -5.13 3.72 -0.11 -4.94 117.46 104.69 1ne5 n PHE 37 Ca -0.14 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.93 1ne5 n PHE 37 Cb 0.66 -2.85 -0.14 0.00 -0.94 0.00 0.00 39.48 36.21 1ne5 n PHE 37 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1ne5 s LYS 38 N -3.33 2.91 -0.23 -1.08 2.20 -0.02 -4.36 119.74 115.83 1ne5 s LYS 38 Ca 0.00 -0.72 -0.09 0.00 -0.36 0.00 0.00 55.97 54.80 1ne5 s LYS 38 Cb 0.00 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1ne5 s LYS 38 CO 0.00 0.41 0.11 0.00 -0.36 0.00 0.00 175.35 175.51 1ne5 s LYS 40 N 1.13 1.17 0.30 0.00 2.47 -0.90 -3.92 119.74 119.99 1ne5 s LYS 40 Ca 0.06 -1.59 -0.00 0.00 -1.56 0.00 0.00 55.97 52.87 1ne5 s LYS 40 Cb -0.14 -0.14 0.06 0.00 -1.46 0.00 0.00 37.83 36.15 1ne5 s LYS 40 CO 0.04 -0.22 0.41 0.00 0.16 0.00 0.00 175.35 175.74