#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 0.04 0.00 -0.67 3.52 -1.26 -5.09 118.95 115.49 1ne5 s ARG 2 Ca 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1ne5 s ARG 2 Cb 0.00 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 1ne5 s ARG 2 CO 0.00 -0.05 0.50 -3.47 -0.81 0.00 0.00 175.30 171.47 1ne5 n ASP 3 N 5.39 0.00 -2.72 -2.12 -0.08 -1.26 -5.03 116.55 110.74 1ne5 n ASP 3 Ca -0.05 0.71 -0.02 0.00 -1.51 0.00 0.00 54.79 53.92 1ne5 n ASP 3 Cb 0.56 -0.45 -0.02 0.00 2.34 0.00 0.00 41.12 43.55 1ne5 n ASP 3 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ne5 n SER 4 N -1.84 -5.29 0.15 1.67 2.88 -1.26 -4.84 113.62 105.08 1ne5 n SER 4 Ca 0.00 1.35 0.12 0.00 -1.33 0.00 0.00 58.87 59.00 1ne5 n SER 4 Cb 0.00 -5.02 0.10 0.00 -0.75 0.00 0.00 64.21 58.54 1ne5 n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ne5 h VAL 6 N 0.00 0.51 0.00 0.00 2.07 -1.82 0.33 116.25 117.34 1ne5 h VAL 6 Ca 0.00 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 1ne5 h VAL 6 Cb 0.96 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1ne5 h VAL 6 CO 0.00 0.04 -1.73 -0.67 0.02 0.00 0.00 177.57 175.23 1ne5 n ASP 7 N -5.21 0.48 0.14 0.57 2.03 -1.26 -3.82 116.55 109.47 1ne5 n ASP 7 Ca 0.11 0.21 -0.06 0.00 0.52 0.00 0.00 54.79 55.57 1ne5 n ASP 7 Cb 0.40 0.78 -0.03 0.00 -0.72 0.00 0.00 41.12 41.55 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 -0.35 -6.87 -0.67 3.11 -1.36 -3.45 116.57 106.98 1ne5 h LYS 8 Ca -0.20 0.02 -0.48 0.00 -2.81 0.00 0.00 60.65 57.19 1ne5 h LYS 8 Cb 1.55 0.08 0.04 0.00 -1.00 0.00 0.00 32.23 32.90 1ne5 h LYS 8 CO 0.03 -0.23 0.03 0.45 -2.81 0.00 0.00 179.45 176.92 1ne5 s SER 9 N -3.06 5.94 0.17 4.20 0.15 0.04 -5.07 113.70 116.08 1ne5 s SER 9 Ca -0.05 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1ne5 s SER 9 Cb 0.01 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1ne5 s SER 9 CO 0.16 -0.72 0.00 -1.14 1.20 0.00 0.00 173.24 172.73 1ne5 n ARG 10 N -2.25 1.50 -3.80 5.44 0.63 -1.26 -4.71 116.66 112.22 1ne5 n ARG 10 Ca 0.01 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.93 1ne5 n ARG 10 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 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 -0.60 -0.17 -0.25 0.00 0.00 -1.26 -4.47 120.51 113.75 1ne5 n ALA 12 Ca -0.04 -1.69 0.06 0.00 0.00 0.00 0.00 53.44 51.77 1ne5 n ALA 12 Cb 0.60 0.20 0.19 0.00 0.00 0.00 0.00 19.45 20.45 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 0.34 0.00 0.00 3.64 -1.96 -0.22 116.57 118.37 1ne5 h LYS 13 Ca -0.31 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1ne5 h LYS 13 Cb 1.07 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1ne5 h LYS 13 CO 0.30 0.22 0.00 2.48 -2.27 0.00 0.00 179.45 180.19 1ne5 n TYR 14 N -5.08 0.00 0.00 1.91 0.18 -1.26 -0.78 117.16 112.12 1ne5 n TYR 14 Ca 0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.93 1ne5 n TYR 14 Cb 0.45 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 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 -0.28 0.23 3.55 -7.48 0.00 -0.91 -4.96 105.19 95.33 1ne5 n GLY 15 Ca 0.00 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 3.08 -0.22 1.61 6.14 -1.26 -0.96 117.35 125.73 1ne5 s TYR 16 Ca 0.00 -0.16 -0.01 0.00 0.64 0.00 0.00 57.07 57.54 1ne5 s TYR 16 Cb 0.00 -1.95 0.06 0.00 0.42 0.00 0.00 41.96 40.50 1ne5 s TYR 16 CO 0.00 0.08 0.01 -0.47 0.64 0.00 0.00 175.55 175.81 1ne5 s TYR 17 N 0.15 1.62 0.53 4.97 5.04 -1.26 -4.97 117.35 123.43 1ne5 s TYR 17 Ca -0.00 -1.29 0.33 0.00 -2.44 0.00 0.00 57.07 53.67 1ne5 s TYR 17 Cb -0.13 -1.31 1.49 0.00 0.35 0.00 0.00 41.96 42.36 1ne5 s TYR 17 CO 0.02 -0.70 1.85 0.37 -1.34 0.00 0.00 175.55 175.75 1ne5 h GLN 18 N 8.12 0.02 -0.55 4.97 5.75 -1.98 0.31 115.11 131.75 1ne5 h GLN 18 Ca -0.16 -0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.23 1ne5 h GLN 18 Cb 1.09 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 1ne5 h GLN 18 CO 0.38 0.02 -0.07 1.49 -2.65 0.00 0.00 178.83 178.00 1ne5 h GLU 19 N 0.03 1.01 0.24 1.69 4.81 -1.95 -1.30 114.58 119.11 1ne5 h GLU 19 Ca 0.50 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1ne5 h GLU 19 Cb 1.94 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.25 1ne5 h GLU 19 CO -0.02 1.04 -0.12 0.00 -0.73 0.00 0.00 179.01 179.18 1ne5 h GLN 21 N -0.89 0.33 -0.15 0.00 3.07 -1.38 -1.28 115.11 114.82 1ne5 h GLN 21 Ca -0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 58.65 58.63 1ne5 h GLN 21 Cb 0.51 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 27.99 1ne5 h GLN 21 CO 0.05 0.22 -0.13 0.22 0.09 0.00 0.00 178.83 179.28 1ne5 h ASP 22 N 0.34 0.38 0.35 0.06 3.58 -1.24 -2.45 116.42 117.45 1ne5 h ASP 22 Ca 0.31 -0.46 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 1ne5 h ASP 22 Cb 0.75 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 1ne5 h ASP 22 CO -0.08 0.77 -0.31 0.00 -2.88 0.00 0.00 179.24 176.73 1ne5 h LYS 25 N -0.87 0.00 0.00 0.00 2.10 -1.41 0.59 116.57 116.98 1ne5 h LYS 25 Ca -0.03 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 1ne5 h LYS 25 Cb 0.81 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1ne5 h LYS 25 CO -0.18 0.00 -0.35 -0.97 -2.00 0.00 0.00 179.45 175.95 1ne5 h ASN 26 N 0.00 0.00 0.74 7.07 -0.73 -0.10 -3.23 115.58 119.34 1ne5 h ASN 26 Ca 0.33 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.29 1ne5 h ASN 26 Cb 1.37 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.95 1ne5 h ASN 26 CO -0.00 0.35 -0.98 0.00 -0.37 0.00 0.00 177.43 176.43 1ne5 h ALA 27 N 1.65 0.40 0.00 1.57 0.00 0.20 -3.47 119.26 119.61 1ne5 h ALA 27 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1ne5 h ALA 27 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ne5 h ALA 27 CO 0.05 1.04 0.00 0.41 0.00 0.00 0.00 179.25 180.74 1ne5 n GLY 28 N 1.14 0.18 0.00 0.00 0.00 -0.76 -5.10 105.19 100.64 1ne5 n GLY 28 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.06 1.61 8.25 -1.14 -5.01 115.22 118.88 1ne5 n HIS 29 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1ne5 n HIS 29 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 1.05 0.00 0.41 2.85 -1.26 -4.31 115.26 114.00 1ne5 n ASN 30 Ca 0.00 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1ne5 n ASN 30 Cb 0.00 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 40.60 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ne5 n GLY 31 N 2.24 1.68 0.00 8.20 0.00 -1.26 -4.10 105.19 111.95 1ne5 n GLY 31 Ca -0.22 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.98 3.25 -0.02 0.00 -1.26 -0.82 105.19 108.32 1ne5 n GLY 32 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.84 0.09 -0.17 2.61 -1.32 -0.16 -4.80 115.64 110.06 1ne5 s THR 33 Ca 0.00 -1.57 -0.05 0.00 -1.21 0.00 0.00 61.69 58.86 1ne5 s THR 33 Cb 0.00 -1.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.11 1ne5 s THR 33 CO 0.00 -0.42 -0.01 0.00 -2.21 0.00 0.00 174.62 171.99 1ne5 s MET 35 N 0.50 0.55 -1.04 0.00 -1.94 -0.43 -2.15 119.30 114.81 1ne5 s MET 35 Ca -0.01 -0.90 -0.16 0.00 -1.71 0.00 0.00 55.69 52.91 1ne5 s MET 35 Cb -0.14 -1.74 -0.00 0.00 2.01 0.00 0.00 34.83 34.96 1ne5 s MET 35 CO 0.02 -0.99 0.74 0.34 -0.01 0.00 0.00 175.02 175.12 1ne5 n PHE 36 N 4.97 -2.01 -1.33 -0.03 7.35 0.04 -0.98 117.46 125.47 1ne5 n PHE 36 Ca -0.03 0.56 -0.11 0.00 -0.76 0.00 0.00 57.45 57.11 1ne5 n PHE 36 Cb 0.42 -3.33 -0.05 0.00 0.35 0.00 0.00 39.48 36.88 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 -3.69 0.00 -4.53 -5.13 3.72 -0.09 -4.98 117.46 102.76 1ne5 n PHE 37 Ca -0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.93 1ne5 n PHE 37 Cb 0.59 -2.40 -0.11 0.00 -0.94 0.00 0.00 39.48 36.62 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 -2.83 2.90 -0.50 -1.08 1.02 -0.15 -3.99 119.74 115.11 1ne5 s LYS 38 Ca 0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 55.41 1ne5 s LYS 38 Cb 0.00 -2.68 0.13 0.00 -0.52 0.00 0.00 37.83 34.76 1ne5 s LYS 38 CO 0.00 0.64 0.36 0.00 -0.92 0.00 0.00 175.35 175.43 1ne5 s LYS 40 N 1.07 2.79 0.17 0.00 2.20 -0.85 -3.08 119.74 122.04 1ne5 s LYS 40 Ca 0.08 -1.21 0.02 0.00 -0.36 0.00 0.00 55.97 54.51 1ne5 s LYS 40 Cb -0.24 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1ne5 s LYS 40 CO -0.02 0.23 0.23 0.00 -0.36 0.00 0.00 175.35 175.43