#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 -4.28 0.01 -0.67 1.74 -1.26 -4.98 116.66 107.22 1ne5 n ARG 2 Ca 0.00 3.20 -0.00 0.00 -0.77 0.00 0.00 57.85 60.27 1ne5 n ARG 2 Cb 0.00 -4.34 -0.00 0.00 -1.02 0.00 0.00 32.46 27.10 1ne5 n ARG 2 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1ne5 h ASP 3 N 4.28 -0.02 -5.21 0.55 3.04 -2.06 -3.50 116.42 113.51 1ne5 h ASP 3 Ca -0.31 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.48 1ne5 h ASP 3 Cb 0.70 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.92 1ne5 h ASP 3 CO 0.01 0.00 -1.27 -1.20 -2.04 0.00 0.00 179.24 174.74 1ne5 n SER 4 N -2.13 -3.50 0.18 4.15 7.64 -1.26 -4.67 113.62 114.03 1ne5 n SER 4 Ca -0.00 1.30 0.14 0.00 1.01 0.00 0.00 58.87 61.32 1ne5 n SER 4 Cb 0.01 -4.81 0.48 0.00 -1.01 0.00 0.00 64.21 58.88 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 0.71 0.00 0.00 3.04 -1.76 0.93 116.25 119.16 1ne5 h VAL 6 Ca 0.00 -0.10 -0.31 0.00 -1.01 0.00 0.00 66.70 65.28 1ne5 h VAL 6 Cb 0.57 0.39 -0.06 0.00 -2.01 0.00 0.00 31.29 30.18 1ne5 h VAL 6 CO 0.00 0.05 -2.00 -0.67 -1.01 0.00 0.00 177.57 173.94 1ne5 n ASP 7 N -5.08 0.46 0.08 3.17 2.03 -1.22 -4.06 116.55 111.93 1ne5 n ASP 7 Ca 0.08 0.22 -0.09 0.00 0.52 0.00 0.00 54.79 55.51 1ne5 n ASP 7 Cb 0.28 0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.27 -6.01 -0.67 3.64 -1.25 -3.45 116.57 108.56 1ne5 h LYS 8 Ca -0.39 0.02 -0.61 0.00 -1.27 0.00 0.00 60.65 58.40 1ne5 h LYS 8 Cb 2.07 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.90 1ne5 h LYS 8 CO 0.05 0.06 -0.30 0.45 -2.27 0.00 0.00 179.45 177.44 1ne5 s SER 9 N -5.35 6.59 0.50 4.20 0.15 0.32 -5.04 113.70 115.07 1ne5 s SER 9 Ca -0.10 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1ne5 s SER 9 Cb 0.00 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1ne5 s SER 9 CO 0.37 0.22 0.73 -0.60 1.20 0.00 0.00 173.24 175.16 1ne5 s ARG 10 N -1.78 2.86 0.21 5.44 3.52 -1.26 -4.44 118.95 123.49 1ne5 s ARG 10 Ca 0.30 -0.55 -0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1ne5 s ARG 10 Cb -0.14 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.72 1ne5 s ARG 10 CO 0.17 -0.47 0.25 0.00 -0.81 0.00 0.00 175.30 174.44 1ne5 n ALA 12 N -0.29 -0.04 -0.20 0.00 0.00 -1.26 -4.45 120.51 114.26 1ne5 n ALA 12 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ne5 n ALA 12 Cb 0.64 0.04 0.07 0.00 0.00 0.00 0.00 19.45 20.21 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 0.03 0.00 0.00 3.64 -1.96 -0.92 116.57 117.37 1ne5 h LYS 13 Ca -0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ne5 h LYS 13 Cb 0.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1ne5 h LYS 13 CO 0.06 0.02 0.00 2.48 -2.27 0.00 0.00 179.45 179.75 1ne5 n TYR 14 N -5.37 0.00 0.00 1.91 0.18 -1.26 -0.06 117.16 112.55 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 0.33 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.29 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 -0.76 3.65 -7.48 0.00 -0.90 -4.91 105.19 94.60 1ne5 n GLY 15 Ca 0.00 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 3.33 -0.36 1.61 5.04 -1.26 -0.99 117.35 124.72 1ne5 s TYR 16 Ca 0.00 1.23 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1ne5 s TYR 16 Cb 0.00 -3.10 0.11 0.00 0.35 0.00 0.00 41.96 39.32 1ne5 s TYR 16 CO 0.00 -0.40 0.10 -0.47 -1.34 0.00 0.00 175.55 173.45 1ne5 s TYR 17 N 2.83 3.01 0.53 4.97 5.04 -1.26 -4.98 117.35 127.50 1ne5 s TYR 17 Ca 0.38 -2.65 0.45 0.00 -2.44 0.00 0.00 57.07 52.81 1ne5 s TYR 17 Cb -0.15 -2.51 1.67 0.00 0.35 0.00 0.00 41.96 41.31 1ne5 s TYR 17 CO 0.08 -0.89 1.59 0.37 -1.34 0.00 0.00 175.55 175.36 1ne5 h GLN 18 N 7.53 0.01 -0.04 4.97 4.15 -1.98 0.58 115.11 130.33 1ne5 h GLN 18 Ca -0.07 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1ne5 h GLN 18 Cb 1.00 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 1ne5 h GLN 18 CO 0.53 0.00 0.02 1.49 -1.93 0.00 0.00 178.83 178.94 1ne5 h GLU 19 N 0.01 0.06 -0.46 1.69 4.81 -1.93 -0.83 114.58 117.93 1ne5 h GLU 19 Ca 0.90 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 60.03 1ne5 h GLU 19 Cb 3.45 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 32.81 1ne5 h GLU 19 CO -0.12 0.18 -0.08 0.00 -0.73 0.00 0.00 179.01 178.26 1ne5 h GLN 21 N 0.71 0.32 -0.72 0.00 4.15 -1.26 -1.56 115.11 116.74 1ne5 h GLN 21 Ca 0.12 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1ne5 h GLN 21 Cb 0.61 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1ne5 h GLN 21 CO 0.04 0.21 0.28 -0.44 -1.93 0.00 0.00 178.83 176.99 1ne5 h ASP 22 N 0.33 0.99 0.90 -0.69 5.19 -1.10 -2.26 116.42 119.79 1ne5 h ASP 22 Ca 0.13 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 1ne5 h ASP 22 Cb 0.03 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.29 1ne5 h ASP 22 CO -0.08 0.89 -0.48 0.00 -3.12 0.00 0.00 179.24 176.46 1ne5 h LYS 25 N -0.76 0.50 0.00 0.00 3.11 -1.44 0.87 116.57 118.86 1ne5 h LYS 25 Ca -0.00 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 1ne5 h LYS 25 Cb 0.75 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1ne5 h LYS 25 CO -0.25 0.33 -0.29 -0.97 -2.81 0.00 0.00 179.45 175.46 1ne5 h ASN 26 N 0.52 0.00 0.64 4.20 -0.73 -0.34 -2.95 115.58 116.92 1ne5 h ASN 26 Ca 0.66 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.67 1ne5 h ASN 26 Cb 1.34 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.91 1ne5 h ASN 26 CO -0.49 0.29 -0.74 0.00 -0.37 0.00 0.00 177.43 176.12 1ne5 h ALA 27 N 1.71 0.75 0.00 1.57 0.00 0.23 -3.46 119.26 120.06 1ne5 h ALA 27 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ne5 h ALA 27 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ne5 h ALA 27 CO 0.04 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1ne5 n GLY 28 N 0.59 0.48 0.00 0.00 0.00 -0.69 -5.10 105.19 100.47 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 -1.14 -5.01 115.22 118.86 1ne5 n HIS 29 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1ne5 n HIS 29 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 1.40 0.00 0.41 5.03 -1.26 -4.32 115.26 116.52 1ne5 n ASN 30 Ca 0.00 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.68 1ne5 n ASN 30 Cb 0.00 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.21 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ne5 n GLY 31 N 2.01 2.05 1.69 7.41 0.00 -1.26 -4.09 105.19 113.00 1ne5 n GLY 31 Ca -0.25 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 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 1.74 3.23 -0.02 0.00 -1.26 -0.81 105.19 108.07 1ne5 n GLY 32 Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.59 0.88 -0.23 2.61 -1.32 -0.11 -4.68 115.64 110.20 1ne5 s THR 33 Ca 0.08 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.48 1ne5 s THR 33 Cb -0.02 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 68.99 1ne5 s THR 33 CO 0.06 -0.66 0.10 0.00 -2.21 0.00 0.00 174.62 171.91 1ne5 s MET 35 N 1.20 0.92 -0.69 0.00 -1.94 -0.49 -2.11 119.30 116.20 1ne5 s MET 35 Ca 0.05 -1.38 -0.11 0.00 -1.71 0.00 0.00 55.69 52.54 1ne5 s MET 35 Cb -0.14 -2.18 0.02 0.00 2.01 0.00 0.00 34.83 34.53 1ne5 s MET 35 CO 0.04 -1.03 0.63 0.34 -0.01 0.00 0.00 175.02 175.00 1ne5 n PHE 36 N 4.46 -2.48 -1.51 -0.03 7.35 0.91 -0.86 117.46 125.30 1ne5 n PHE 36 Ca 0.01 1.00 -0.15 0.00 -0.76 0.00 0.00 57.45 57.56 1ne5 n PHE 36 Cb 0.40 -2.87 -0.06 0.00 0.35 0.00 0.00 39.48 37.30 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 -1.72 -0.39 -4.70 -5.13 3.72 -0.35 -4.93 117.46 103.96 1ne5 n PHE 37 Ca -0.18 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.89 1ne5 n PHE 37 Cb 0.64 -2.77 -0.15 0.00 -0.94 0.00 0.00 39.48 36.26 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 -3.40 3.24 -0.37 -1.08 2.20 -0.04 -4.38 119.74 115.91 1ne5 s LYS 38 Ca 0.00 -0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 54.65 1ne5 s LYS 38 Cb 0.00 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 1ne5 s LYS 38 CO 0.00 0.10 0.69 0.00 -0.36 0.00 0.00 175.35 175.77 1ne5 s LYS 40 N 2.87 1.68 0.09 0.00 2.47 -0.88 -3.22 119.74 122.74 1ne5 s LYS 40 Ca 0.26 -1.84 0.01 0.00 -1.56 0.00 0.00 55.97 52.85 1ne5 s LYS 40 Cb -0.14 -1.49 0.01 0.00 -1.46 0.00 0.00 37.83 34.75 1ne5 s LYS 40 CO 0.16 0.13 0.12 0.00 0.16 0.00 0.00 175.35 175.93