#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 -2.94 0.00 -0.67 0.63 -1.26 -4.92 116.66 107.50 1ne5 n ARG 2 Ca 0.00 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 1ne5 n ARG 2 Cb 0.00 -5.64 0.00 0.00 0.45 0.00 0.00 32.46 27.27 1ne5 n ARG 2 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ne5 n ASP 3 N -2.19 0.00 -2.71 6.15 -0.08 -1.26 -5.00 116.55 111.47 1ne5 n ASP 3 Ca -0.18 1.00 -0.04 0.00 -1.51 0.00 0.00 54.79 54.05 1ne5 n ASP 3 Cb 0.65 -0.50 -0.04 0.00 2.34 0.00 0.00 41.12 43.58 1ne5 n ASP 3 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1ne5 n SER 4 N -2.04 -2.08 0.26 1.67 7.64 -1.26 -4.67 113.62 113.14 1ne5 n SER 4 Ca 0.00 1.27 0.12 0.00 1.01 0.00 0.00 58.87 61.27 1ne5 n SER 4 Cb 0.00 -4.50 0.77 0.00 -1.01 0.00 0.00 64.21 59.47 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 0.65 -0.27 0.00 2.07 -1.84 0.21 116.25 117.07 1ne5 h VAL 6 Ca 0.02 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1ne5 h VAL 6 Cb 0.07 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 1ne5 h VAL 6 CO -0.00 0.03 -0.16 0.47 0.02 0.00 0.00 177.57 177.93 1ne5 n ASP 7 N -4.39 2.36 0.12 0.57 9.92 -0.69 -4.34 116.55 120.10 1ne5 n ASP 7 Ca 0.17 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.66 1ne5 n ASP 7 Cb 0.77 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1ne5 n ASP 7 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ne5 n LYS 8 N -1.11 0.00 -3.11 -1.24 4.81 0.44 -5.03 118.16 112.91 1ne5 n LYS 8 Ca 0.30 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.32 1ne5 n LYS 8 Cb 0.96 -0.07 -0.07 0.00 0.02 0.00 0.00 35.03 35.87 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 -5.11 6.38 0.44 3.14 0.15 0.46 -5.06 113.70 114.10 1ne5 s SER 9 Ca 0.00 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1ne5 s SER 9 Cb 0.00 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1ne5 s SER 9 CO 0.00 -0.66 0.00 -1.14 1.20 0.00 0.00 173.24 172.64 1ne5 n ARG 10 N 6.12 -0.19 -3.84 5.44 3.00 -1.26 -4.37 116.66 121.55 1ne5 n ARG 10 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.83 1ne5 n ARG 10 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.95 1ne5 n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ne5 n ALA 12 N -0.68 -0.12 -0.28 0.00 0.00 -1.26 -4.49 120.51 113.67 1ne5 n ALA 12 Ca -0.03 -1.25 0.06 0.00 0.00 0.00 0.00 53.44 52.22 1ne5 n ALA 12 Cb 0.60 0.15 0.20 0.00 0.00 0.00 0.00 19.45 20.40 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 0.56 0.00 0.00 3.64 -1.94 -0.37 116.57 118.46 1ne5 h LYS 13 Ca -0.23 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1ne5 h LYS 13 Cb 0.79 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1ne5 h LYS 13 CO 0.22 0.37 0.00 2.48 -2.27 0.00 0.00 179.45 180.26 1ne5 n TYR 14 N -4.90 0.00 0.00 1.91 0.18 -1.25 -2.26 117.16 110.85 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 0.40 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 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 -0.06 0.71 3.41 -7.48 0.00 -0.26 -4.95 105.19 96.57 1ne5 n GLY 15 Ca 0.00 -1.64 -0.33 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 2.80 -0.25 1.61 6.14 -1.26 -1.38 117.35 125.01 1ne5 s TYR 16 Ca 0.00 -0.47 -0.01 0.00 0.64 0.00 0.00 57.07 57.23 1ne5 s TYR 16 Cb 0.00 -1.79 0.07 0.00 0.42 0.00 0.00 41.96 40.67 1ne5 s TYR 16 CO 0.00 -0.07 0.03 -0.47 0.64 0.00 0.00 175.55 175.68 1ne5 s TYR 17 N 0.02 1.72 0.54 4.97 5.04 -1.26 -4.99 117.35 123.39 1ne5 s TYR 17 Ca -0.04 -1.47 0.40 0.00 -2.44 0.00 0.00 57.07 53.52 1ne5 s TYR 17 Cb -0.14 -1.48 1.60 0.00 0.35 0.00 0.00 41.96 42.29 1ne5 s TYR 17 CO 0.04 -0.76 1.74 0.37 -1.34 0.00 0.00 175.55 175.60 1ne5 h GLN 18 N 8.09 0.01 -0.57 4.97 4.15 -1.98 0.67 115.11 130.45 1ne5 h GLN 18 Ca -0.15 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.18 1ne5 h GLN 18 Cb 1.07 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1ne5 h GLN 18 CO 0.41 0.00 0.02 0.93 -1.93 0.00 0.00 178.83 178.26 1ne5 h GLU 19 N 0.01 1.00 0.33 1.69 4.39 -1.95 -0.39 114.58 119.66 1ne5 h GLU 19 Ca 0.67 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1ne5 h GLU 19 Cb 2.68 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 31.23 1ne5 h GLU 19 CO -0.02 0.98 -0.16 0.00 -1.16 0.00 0.00 179.01 178.66 1ne5 h GLN 21 N -0.93 0.16 -0.16 0.00 3.07 -1.44 -1.40 115.11 114.42 1ne5 h GLN 21 Ca -0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.64 1ne5 h GLN 21 Cb 0.52 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 1ne5 h GLN 21 CO 0.07 0.11 -0.07 0.22 0.09 0.00 0.00 178.83 179.25 1ne5 h ASP 22 N 0.17 0.34 0.87 0.06 3.58 -1.04 -2.42 116.42 117.98 1ne5 h ASP 22 Ca 0.22 -0.41 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 1ne5 h ASP 22 Cb 0.64 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1ne5 h ASP 22 CO -0.03 0.67 -0.48 0.00 -2.88 0.00 0.00 179.24 176.51 1ne5 h LYS 25 N -0.30 0.59 0.00 0.00 3.11 -1.39 0.16 116.57 118.73 1ne5 h LYS 25 Ca 0.15 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 1ne5 h LYS 25 Cb 0.57 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1ne5 h LYS 25 CO -0.59 0.39 -0.21 -0.97 -2.81 0.00 0.00 179.45 175.26 1ne5 h ASN 26 N 0.60 0.00 0.21 4.20 -0.73 0.79 -3.01 115.58 117.65 1ne5 h ASN 26 Ca 0.36 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 58.21 1ne5 h ASN 26 Cb 0.57 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.19 1ne5 h ASN 26 CO -0.13 0.21 -1.37 0.00 -0.37 0.00 0.00 177.43 175.77 1ne5 h ALA 27 N 1.79 -0.08 0.00 1.57 0.00 0.91 -3.47 119.26 119.98 1ne5 h ALA 27 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1ne5 h ALA 27 Cb 0.63 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ne5 h ALA 27 CO 0.03 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1ne5 n GLY 28 N 1.55 0.00 0.00 0.00 0.00 -0.84 -5.12 105.19 100.78 1ne5 n GLY 28 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.04 1.61 8.25 -1.13 -5.00 115.22 118.91 1ne5 n HIS 29 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1ne5 n HIS 29 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 1.07 0.00 0.41 4.05 -1.26 -4.36 115.26 115.17 1ne5 n ASN 30 Ca 0.00 0.07 0.00 0.00 0.45 0.00 0.00 54.58 55.10 1ne5 n ASN 30 Cb 0.00 -0.19 0.00 0.00 1.23 0.00 0.00 39.78 40.82 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ne5 n GLY 31 N 2.66 1.55 0.00 8.20 0.00 -1.26 -4.29 105.19 112.05 1ne5 n GLY 31 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.62 3.57 -0.02 0.00 -1.26 -0.76 105.19 107.35 1ne5 n GLY 32 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.13 2.55 -0.21 2.61 -1.32 -0.12 -4.75 115.64 112.27 1ne5 s THR 33 Ca 0.00 -2.14 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 1ne5 s THR 33 Cb 0.00 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.37 1ne5 s THR 33 CO 0.00 -0.26 -0.14 0.00 -2.21 0.00 0.00 174.62 172.01 1ne5 n MET 35 N 4.63 2.56 -0.66 0.00 2.81 -0.35 -1.10 117.12 125.00 1ne5 n MET 35 Ca -0.19 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.40 1ne5 n MET 35 Cb 0.48 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.91 1ne5 n MET 35 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ne5 n PHE 36 N -0.25 0.01 -2.55 2.03 -0.00 -0.96 -2.25 117.46 113.50 1ne5 n PHE 36 Ca 0.00 -0.34 -0.14 0.00 -0.00 0.00 0.00 57.45 56.97 1ne5 n PHE 36 Cb 0.00 -0.65 0.01 0.00 -0.00 0.00 0.00 39.48 38.84 1ne5 n PHE 36 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1ne5 n PHE 37 N 7.33 -1.01 -5.01 -5.13 3.01 -0.15 -4.97 117.46 111.53 1ne5 n PHE 37 Ca 0.32 0.20 -0.29 0.00 1.01 0.00 0.00 57.45 58.70 1ne5 n PHE 37 Cb 0.37 -3.12 -0.16 0.00 -0.01 0.00 0.00 39.48 36.55 1ne5 n PHE 37 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1ne5 s LYS 38 N -5.03 2.28 -0.43 -1.08 1.02 -0.95 -4.27 119.74 111.27 1ne5 s LYS 38 Ca 0.12 -0.73 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 1ne5 s LYS 38 Cb -0.05 -1.87 0.05 0.00 -0.52 0.00 0.00 37.83 35.43 1ne5 s LYS 38 CO 0.14 0.24 0.33 0.00 -0.92 0.00 0.00 175.35 175.14 1ne5 s LYS 40 N 1.64 1.76 0.34 0.00 2.20 -0.90 -3.39 119.74 121.39 1ne5 s LYS 40 Ca 0.04 -1.55 -0.02 0.00 -0.36 0.00 0.00 55.97 54.08 1ne5 s LYS 40 Cb -0.21 -1.91 0.07 0.00 -1.51 0.00 0.00 37.83 34.27 1ne5 s LYS 40 CO 0.08 0.38 0.47 0.00 -0.36 0.00 0.00 175.35 175.92