#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 0.02 0.00 -1.24 6.06 -1.26 -5.11 118.95 117.42 1ne5 s ARG 2 Ca 0.00 0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.26 1ne5 s ARG 2 Cb 0.00 0.02 0.00 0.00 0.06 0.00 0.00 34.95 35.03 1ne5 s ARG 2 CO 0.00 -0.03 0.00 -0.25 -2.50 0.00 0.00 175.30 172.52 1ne5 n ASP 3 N 5.39 0.00 -2.91 -2.12 8.00 -1.26 -5.10 116.55 118.55 1ne5 n ASP 3 Ca -0.05 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.44 1ne5 n ASP 3 Cb 0.56 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1ne5 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ne5 n SER 4 N -1.11 -6.75 0.26 -2.24 7.64 -1.26 -4.54 113.62 105.63 1ne5 n SER 4 Ca 0.00 1.02 0.09 0.00 1.01 0.00 0.00 58.87 60.99 1ne5 n SER 4 Cb 0.00 -3.70 0.68 0.00 -1.01 0.00 0.00 64.21 60.18 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 0.60 -0.48 0.00 2.07 -1.86 -1.64 116.25 114.94 1ne5 h VAL 6 Ca -0.00 -0.14 -0.34 0.00 0.82 0.00 0.00 66.70 67.03 1ne5 h VAL 6 Cb 0.03 0.15 -0.35 0.00 -1.52 0.00 0.00 31.29 29.60 1ne5 h VAL 6 CO 0.00 0.07 -0.88 -0.67 0.02 0.00 0.00 177.57 176.12 1ne5 n ASP 7 N -4.57 3.13 0.01 0.57 -0.08 -0.83 -4.28 116.55 110.50 1ne5 n ASP 7 Ca 0.23 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 50.39 1ne5 n ASP 7 Cb 0.80 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1ne5 n ASP 7 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ne5 n LYS 8 N -0.63 0.00 -4.13 -0.67 4.81 -0.64 -5.01 118.16 111.89 1ne5 n LYS 8 Ca 0.26 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.42 1ne5 n LYS 8 Cb 0.90 -0.36 -0.07 0.00 0.02 0.00 0.00 35.03 35.52 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 -5.05 5.11 0.40 3.14 0.15 -1.08 -5.06 113.70 111.31 1ne5 s SER 9 Ca 0.00 -0.21 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 1ne5 s SER 9 Cb 0.00 -1.23 -0.05 0.00 -1.71 0.00 0.00 66.02 63.03 1ne5 s SER 9 CO 0.00 0.13 0.71 -0.60 1.20 0.00 0.00 173.24 174.68 1ne5 s ARG 10 N -2.66 3.66 0.25 5.44 3.52 -1.26 -4.68 118.95 123.22 1ne5 s ARG 10 Ca 0.28 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 56.13 1ne5 s ARG 10 Cb -0.11 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 1ne5 s ARG 10 CO 0.20 -0.02 0.13 0.00 -0.81 0.00 0.00 175.30 174.79 1ne5 n ALA 12 N -0.43 -0.18 -0.31 0.00 0.00 -1.26 -4.41 120.51 113.93 1ne5 n ALA 12 Ca 0.01 -1.66 0.14 0.00 0.00 0.00 0.00 53.44 51.94 1ne5 n ALA 12 Cb 0.66 0.20 0.32 0.00 0.00 0.00 0.00 19.45 20.62 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 -1.95 -0.34 116.57 118.25 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 1.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1ne5 h LYS 13 CO 0.30 0.22 0.00 2.48 -2.27 0.00 0.00 179.45 180.18 1ne5 n TYR 14 N -5.09 0.00 0.00 1.91 0.18 -1.26 0.54 117.16 113.44 1ne5 n TYR 14 Ca 0.23 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.01 1ne5 n TYR 14 Cb 0.69 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.65 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 -0.43 0.64 3.76 -7.48 0.00 -0.84 -4.93 105.19 95.91 1ne5 n GLY 15 Ca 0.00 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 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 3.35 -0.20 1.61 6.14 -1.26 -1.77 117.35 125.21 1ne5 s TYR 16 Ca 0.00 0.32 -0.04 0.00 0.64 0.00 0.00 57.07 57.99 1ne5 s TYR 16 Cb 0.00 -1.88 0.10 0.00 0.42 0.00 0.00 41.96 40.60 1ne5 s TYR 16 CO 0.00 0.55 0.24 -0.47 0.64 0.00 0.00 175.55 176.51 1ne5 s TYR 17 N -0.83 -0.34 0.48 4.97 5.04 -1.26 -4.96 117.35 120.45 1ne5 s TYR 17 Ca 0.13 0.31 0.31 0.00 -2.44 0.00 0.00 57.07 55.38 1ne5 s TYR 17 Cb -0.12 -0.31 1.41 0.00 0.35 0.00 0.00 41.96 43.29 1ne5 s TYR 17 CO 0.03 -0.61 1.75 0.37 -1.34 0.00 0.00 175.55 175.75 1ne5 h GLN 18 N 8.30 0.13 0.50 4.97 4.15 -1.98 -1.28 115.11 129.89 1ne5 h GLN 18 Ca -0.17 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 1ne5 h GLN 18 Cb 1.15 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1ne5 h GLN 18 CO 0.28 0.09 -0.24 0.93 -1.93 0.00 0.00 178.83 177.95 1ne5 h GLU 19 N 0.13 -0.64 -0.42 1.69 5.08 -1.95 -0.89 114.58 117.58 1ne5 h GLU 19 Ca 0.65 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 59.13 1ne5 h GLU 19 Cb 2.21 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 31.53 1ne5 h GLU 19 CO -0.16 -0.43 -0.03 0.00 -1.00 0.00 0.00 179.01 177.39 1ne5 h GLN 21 N 0.07 -0.39 -0.04 0.00 1.08 -1.31 -0.62 115.11 113.91 1ne5 h GLN 21 Ca 0.21 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.44 1ne5 h GLN 21 Cb 0.30 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1ne5 h GLN 21 CO -0.37 -0.26 0.03 -0.44 -0.95 0.00 0.00 178.83 176.83 1ne5 h ASP 22 N -0.41 0.00 0.65 1.46 3.32 -0.67 -2.04 116.42 118.73 1ne5 h ASP 22 Ca 0.07 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1ne5 h ASP 22 Cb 0.51 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.07 1ne5 h ASP 22 CO -0.27 0.00 -0.31 0.00 -1.72 0.00 0.00 179.24 176.94 1ne5 h LYS 25 N -0.91 -0.06 0.00 0.00 3.64 -1.47 0.86 116.57 118.63 1ne5 h LYS 25 Ca -0.09 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1ne5 h LYS 25 Cb 0.70 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1ne5 h LYS 25 CO 0.15 -0.04 -0.22 -0.97 -2.27 0.00 0.00 179.45 176.10 1ne5 h ASN 26 N -0.06 0.00 0.17 4.20 -0.73 -1.39 -2.40 115.58 115.36 1ne5 h ASN 26 Ca 0.30 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.41 1ne5 h ASN 26 Cb 0.58 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 1ne5 h ASN 26 CO -0.88 0.22 -0.23 0.00 -0.37 0.00 0.00 177.43 176.17 1ne5 h ALA 27 N 1.78 1.50 0.00 1.57 0.00 0.26 -3.46 119.26 120.91 1ne5 h ALA 27 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ne5 h ALA 27 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ne5 h ALA 27 CO 0.03 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1ne5 n GLY 28 N -0.76 -0.24 0.00 0.00 0.00 -0.65 -5.08 105.19 98.47 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 -0.08 1.61 8.25 -1.07 -5.01 115.22 118.93 1ne5 n HIS 29 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 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 1.34 -0.31 0.41 4.13 -1.26 -4.32 115.26 115.24 1ne5 n ASN 30 Ca 0.00 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.49 1ne5 n ASN 30 Cb 0.00 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ne5 n GLY 31 N 1.95 1.08 1.64 7.41 0.00 -1.26 -3.81 105.19 112.20 1ne5 n GLY 31 Ca -0.29 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 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 1.78 3.26 -0.02 0.00 -1.26 -0.78 105.19 108.17 1ne5 n GLY 32 Ca 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.60 1.26 -0.25 2.61 -1.32 -0.13 -4.73 115.64 110.48 1ne5 s THR 33 Ca 0.08 -2.04 -0.10 0.00 -1.21 0.00 0.00 61.69 58.42 1ne5 s THR 33 Cb -0.02 -1.83 -0.05 0.00 -1.51 0.00 0.00 72.50 69.09 1ne5 s THR 33 CO 0.06 -0.69 0.15 0.00 -2.21 0.00 0.00 174.62 171.93 1ne5 s MET 35 N 1.20 0.83 -0.74 0.00 -1.94 -0.54 -1.98 119.30 116.13 1ne5 s MET 35 Ca 0.07 -0.98 -0.06 0.00 -1.71 0.00 0.00 55.69 53.01 1ne5 s MET 35 Cb -0.14 -2.13 0.01 0.00 2.01 0.00 0.00 34.83 34.58 1ne5 s MET 35 CO 0.06 -0.88 0.63 0.34 -0.01 0.00 0.00 175.02 175.16 1ne5 n PHE 36 N 4.84 -2.39 -1.60 -0.03 7.35 0.19 -0.86 117.46 124.96 1ne5 n PHE 36 Ca -0.04 0.96 -0.16 0.00 -0.76 0.00 0.00 57.45 57.45 1ne5 n PHE 36 Cb 0.43 -2.98 -0.06 0.00 0.35 0.00 0.00 39.48 37.22 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 -2.03 -0.36 -4.90 -5.13 3.72 -0.14 -4.94 117.46 103.68 1ne5 n PHE 37 Ca -0.20 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.87 1ne5 n PHE 37 Cb 0.64 -2.98 -0.13 0.00 -0.94 0.00 0.00 39.48 36.08 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 -3.59 2.46 -0.47 -1.08 2.20 -0.04 -4.21 119.74 115.00 1ne5 s LYS 38 Ca 0.00 -0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 54.79 1ne5 s LYS 38 Cb 0.00 -2.35 0.12 0.00 -1.51 0.00 0.00 37.83 34.09 1ne5 s LYS 38 CO 0.00 0.62 0.35 0.00 -0.36 0.00 0.00 175.35 175.96 1ne5 s LYS 40 N 1.38 2.50 0.07 0.00 2.47 -0.89 -3.09 119.74 122.18 1ne5 s LYS 40 Ca 0.05 -1.42 0.01 0.00 -1.56 0.00 0.00 55.97 53.05 1ne5 s LYS 40 Cb -0.26 -2.28 0.01 0.00 -1.46 0.00 0.00 37.83 33.84 1ne5 s LYS 40 CO -0.00 0.17 0.09 0.00 0.16 0.00 0.00 175.35 175.77