#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 3.55 -0.10 -0.67 1.74 -1.26 -4.39 116.66 115.53 1ne5 n ARG 2 Ca 0.00 -4.82 -0.10 0.00 -0.77 0.00 0.00 57.85 52.16 1ne5 n ARG 2 Cb 0.00 -2.28 -0.15 0.00 -1.02 0.00 0.00 32.46 29.00 1ne5 n ARG 2 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ne5 n ASP 3 N -0.11 0.20 -0.94 0.55 -0.08 -1.26 -4.43 116.55 110.47 1ne5 n ASP 3 Ca 0.33 -0.01 0.01 0.00 -1.51 0.00 0.00 54.79 53.61 1ne5 n ASP 3 Cb 0.37 0.92 0.21 0.00 2.34 0.00 0.00 41.12 44.96 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 -2.76 2.65 -1.89 1.67 7.64 -1.26 -4.93 113.62 114.74 1ne5 n SER 4 Ca -0.33 -3.58 -0.16 0.00 1.01 0.00 0.00 58.87 55.81 1ne5 n SER 4 Cb 1.14 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.98 -0.66 0.00 2.07 -1.76 -2.69 116.25 114.18 1ne5 h VAL 6 Ca -0.35 -0.38 -0.24 0.00 0.82 0.00 0.00 66.70 66.54 1ne5 h VAL 6 Cb 1.15 1.22 -0.14 0.00 -1.52 0.00 0.00 31.29 32.00 1ne5 h VAL 6 CO 0.47 0.09 0.25 -0.90 0.02 0.00 0.00 177.57 177.50 1ne5 n ASP 7 N -5.08 4.14 -0.03 0.57 5.68 -1.26 -4.10 116.55 116.47 1ne5 n ASP 7 Ca -0.08 -3.36 -0.06 0.00 -0.50 0.00 0.00 54.79 50.79 1ne5 n ASP 7 Cb 0.16 -0.72 -0.02 0.00 -1.14 0.00 0.00 41.12 39.39 1ne5 n ASP 7 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1ne5 n LYS 8 N -0.55 0.13 -4.77 0.11 4.81 -1.18 -5.03 118.16 111.69 1ne5 n LYS 8 Ca 0.41 0.05 -0.31 0.00 -0.87 0.00 0.00 58.31 57.58 1ne5 n LYS 8 Cb 1.32 -0.85 -0.13 0.00 0.02 0.00 0.00 35.03 35.40 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 -5.21 3.88 0.43 3.14 0.15 -1.02 -5.12 113.70 109.95 1ne5 s SER 9 Ca -0.08 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.08 1ne5 s SER 9 Cb 0.03 -0.70 -0.09 0.00 -1.71 0.00 0.00 66.02 63.55 1ne5 s SER 9 CO 0.11 0.29 0.87 -0.60 1.20 0.00 0.00 173.24 175.12 1ne5 s ARG 10 N -1.15 3.99 0.27 5.44 3.52 -1.26 -4.53 118.95 125.24 1ne5 s ARG 10 Ca 0.13 0.82 0.02 0.00 -0.13 0.00 0.00 55.73 56.58 1ne5 s ARG 10 Cb -0.11 -2.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.97 1ne5 s ARG 10 CO 0.03 -0.07 0.13 0.00 -0.81 0.00 0.00 175.30 174.59 1ne5 n ALA 12 N -0.50 -0.17 -0.27 0.00 0.00 -1.26 -4.38 120.51 113.93 1ne5 n ALA 12 Ca 0.01 -1.40 0.08 0.00 0.00 0.00 0.00 53.44 52.13 1ne5 n ALA 12 Cb 0.66 0.16 0.21 0.00 0.00 0.00 0.00 19.45 20.47 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 0.16 0.00 0.00 3.64 -1.96 -0.15 116.57 118.27 1ne5 h LYS 13 Ca -0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1ne5 h LYS 13 Cb 0.89 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1ne5 h LYS 13 CO 0.25 0.11 0.00 2.48 -2.27 0.00 0.00 179.45 180.02 1ne5 n TYR 14 N -5.27 0.00 0.00 1.91 0.18 -1.26 0.11 117.16 112.82 1ne5 n TYR 14 Ca 0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 1ne5 n TYR 14 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 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 -0.17 0.27 3.34 -7.48 0.00 -0.90 -4.93 105.19 95.33 1ne5 n GLY 15 Ca 0.00 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 2.71 -0.20 1.61 6.14 -1.26 -0.92 117.35 125.43 1ne5 s TYR 16 Ca 0.00 -0.71 -0.03 0.00 0.64 0.00 0.00 57.07 56.97 1ne5 s TYR 16 Cb 0.00 -1.77 0.06 0.00 0.42 0.00 0.00 41.96 40.67 1ne5 s TYR 16 CO 0.00 -0.23 0.05 -0.47 0.64 0.00 0.00 175.55 175.54 1ne5 s TYR 17 N 0.22 0.93 0.51 4.97 5.04 -1.26 -5.00 117.35 122.76 1ne5 s TYR 17 Ca -0.11 -0.84 0.37 0.00 -2.44 0.00 0.00 57.07 54.06 1ne5 s TYR 17 Cb -0.16 -1.02 1.53 0.00 0.35 0.00 0.00 41.96 42.66 1ne5 s TYR 17 CO 0.06 -0.62 1.71 0.37 -1.34 0.00 0.00 175.55 175.73 1ne5 h GLN 18 N 8.26 0.06 -0.48 4.97 4.15 -1.98 0.48 115.11 130.57 1ne5 h GLN 18 Ca -0.16 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1ne5 h GLN 18 Cb 1.11 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 1ne5 h GLN 18 CO 0.34 0.04 0.19 1.49 -1.93 0.00 0.00 178.83 178.96 1ne5 h GLU 19 N 0.06 0.72 0.40 1.69 4.81 -1.94 -0.40 114.58 119.92 1ne5 h GLU 19 Ca 0.71 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.79 1ne5 h GLU 19 Cb 2.63 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.90 1ne5 h GLU 19 CO -0.11 0.65 -0.19 0.00 -0.73 0.00 0.00 179.01 178.62 1ne5 h GLN 21 N -1.01 0.20 -0.16 0.00 3.07 -1.44 -0.66 115.11 115.10 1ne5 h GLN 21 Ca -0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.61 1ne5 h GLN 21 Cb 0.53 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 1ne5 h GLN 21 CO 0.09 0.14 -0.15 0.22 0.09 0.00 0.00 178.83 179.22 1ne5 h ASP 22 N 0.21 0.41 0.36 0.06 3.58 -1.04 -2.40 116.42 117.61 1ne5 h ASP 22 Ca 0.34 -0.47 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 1ne5 h ASP 22 Cb 1.05 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 1ne5 h ASP 22 CO -0.07 0.80 -0.32 0.00 -2.88 0.00 0.00 179.24 176.77 1ne5 h LYS 25 N -0.80 0.03 0.00 0.00 2.10 -1.42 0.82 116.57 117.30 1ne5 h LYS 25 Ca -0.04 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.55 1ne5 h LYS 25 Cb 0.72 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1ne5 h LYS 25 CO -0.12 0.02 -0.32 -0.97 -2.00 0.00 0.00 179.45 176.06 1ne5 h ASN 26 N 0.03 0.00 0.61 7.07 -0.73 -0.36 -3.24 115.58 118.95 1ne5 h ASN 26 Ca 0.45 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.42 1ne5 h ASN 26 Cb 1.76 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.34 1ne5 h ASN 26 CO -0.02 0.31 -0.92 0.00 -0.37 0.00 0.00 177.43 176.43 1ne5 h ALA 27 N 1.69 0.47 0.00 1.57 0.00 0.25 -3.47 119.26 119.77 1ne5 h ALA 27 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1ne5 h ALA 27 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ne5 h ALA 27 CO 0.04 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1ne5 n GLY 28 N 0.96 0.04 0.00 0.00 0.00 -0.77 -5.10 105.19 100.32 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 -0.07 1.61 8.25 -1.16 -5.01 115.22 118.84 1ne5 n HIS 29 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 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 1.12 0.00 0.41 5.03 -1.26 -4.38 115.26 116.18 1ne5 n ASN 30 Ca 0.00 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1ne5 n ASN 30 Cb 0.00 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 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 2.14 1.77 0.00 7.41 0.00 -1.25 -4.21 105.19 111.05 1ne5 n GLY 31 Ca -0.28 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 2.10 3.27 -0.02 0.00 -1.26 -0.77 105.19 108.51 1ne5 n GLY 32 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.86 0.16 -0.16 2.61 -1.32 -0.13 -4.68 115.64 109.25 1ne5 s THR 33 Ca 0.00 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.46 1ne5 s THR 33 Cb 0.00 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.46 1ne5 s THR 33 CO 0.00 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.31 1ne5 s MET 35 N 0.75 0.51 -0.99 0.00 -1.94 -0.48 -2.11 119.30 115.04 1ne5 s MET 35 Ca -0.04 -0.78 -0.14 0.00 -1.71 0.00 0.00 55.69 53.02 1ne5 s MET 35 Cb -0.15 -1.70 0.00 0.00 2.01 0.00 0.00 34.83 34.99 1ne5 s MET 35 CO 0.02 -0.95 0.71 0.34 -0.01 0.00 0.00 175.02 175.12 1ne5 n PHE 36 N 5.02 -2.03 -1.50 -0.03 7.35 0.30 -0.91 117.46 125.67 1ne5 n PHE 36 Ca -0.04 0.61 -0.17 0.00 -0.76 0.00 0.00 57.45 57.08 1ne5 n PHE 36 Cb 0.43 -3.23 -0.07 0.00 0.35 0.00 0.00 39.48 36.95 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 -3.48 0.00 -4.88 -5.13 3.72 -0.07 -4.96 117.46 102.65 1ne5 n PHE 37 Ca -0.15 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.92 1ne5 n PHE 37 Cb 0.60 -3.01 -0.13 0.00 -0.94 0.00 0.00 39.48 36.00 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 -3.44 2.53 -0.51 -1.08 1.02 -0.08 -4.11 119.74 114.07 1ne5 s LYS 38 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 1ne5 s LYS 38 Cb 0.00 -2.39 0.13 0.00 -0.52 0.00 0.00 37.83 35.05 1ne5 s LYS 38 CO 0.00 0.61 0.43 0.00 -0.92 0.00 0.00 175.35 175.47 1ne5 s LYS 40 N 1.46 2.84 0.14 0.00 2.20 -0.81 -2.58 119.74 122.98 1ne5 s LYS 40 Ca 0.05 -1.23 0.02 0.00 -0.36 0.00 0.00 55.97 54.45 1ne5 s LYS 40 Cb -0.28 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1ne5 s LYS 40 CO 0.01 0.00 0.18 0.00 -0.36 0.00 0.00 175.35 175.18