#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgh h ARG 2 N 0.00 -0.55 -3.91 0.00 3.08 -2.03 -3.46 114.38 107.51 1vgh h ARG 2 Ca 0.00 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1vgh h ARG 2 Cb 0.00 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 30.02 1vgh h ARG 2 CO 0.00 -0.30 -0.48 -0.65 -1.07 0.00 0.00 179.97 177.47 1vgh s GLN 3 N -5.57 0.73 0.19 0.04 -0.21 -1.26 -5.04 119.66 108.54 1vgh s GLN 3 Ca -0.16 -0.98 -0.04 0.00 0.02 0.00 0.00 55.36 54.21 1vgh s GLN 3 Cb 0.03 0.29 0.12 0.00 1.00 0.00 0.00 33.01 34.45 1vgh s GLN 3 CO 0.60 -0.20 1.53 0.93 -2.12 0.00 0.00 175.29 176.02 1vgh h GLU 4 N 3.05 0.63 -3.29 2.91 4.39 -1.92 -3.35 114.58 116.99 1vgh h GLU 4 Ca -0.34 -0.36 -0.65 0.00 0.34 0.00 0.00 59.36 58.35 1vgh h GLU 4 Cb 1.18 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 29.46 1vgh h GLU 4 CO 0.57 0.97 -0.49 1.21 -1.16 0.00 0.00 179.01 180.11 1vgh s ASN 5 N -6.89 4.88 -1.38 1.42 2.47 -1.26 -4.37 114.94 109.82 1vgh s ASN 5 Ca -0.08 -3.41 -0.08 0.00 0.42 0.00 0.00 52.86 49.70 1vgh s ASN 5 Cb 0.12 -1.71 -0.06 0.00 -1.45 0.00 0.00 41.25 38.15 1vgh s ASN 5 CO 0.84 -0.19 2.90 -0.81 -3.72 0.00 0.00 177.10 176.13 1vgh n PRO 6 N 2.62 3.70 -4.02 0.43 -0.04 -1.26 -4.83 135.00 131.60 1vgh n PRO 6 Ca 0.13 -2.36 -0.10 0.00 -0.04 0.00 0.00 63.50 61.14 1vgh n PRO 6 Cb 0.35 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.07 1vgh n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vgh n GLY 8 N -0.34 1.15 3.82 0.00 0.00 -1.26 -5.10 105.19 103.46 1vgh n GLY 8 Ca -0.02 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 1vgh n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vgh s PRO 9 N -3.74 4.06 0.12 1.61 0.04 -1.26 -4.98 135.00 130.84 1vgh s PRO 9 Ca 0.36 1.14 -0.08 0.00 0.04 0.00 0.00 61.00 62.45 1vgh s PRO 9 Cb -0.02 -2.15 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 1vgh s PRO 9 CO 0.23 -0.18 1.29 0.00 0.04 0.00 0.00 177.00 178.39 1vgh n SER 11 N -3.83 -1.15 -0.26 0.00 7.64 -1.26 -4.97 113.62 109.80 1vgh n SER 11 Ca -0.08 -1.19 -0.03 0.00 1.01 0.00 0.00 58.87 58.58 1vgh n SER 11 Cb 0.81 -0.85 0.09 0.00 -1.01 0.00 0.00 64.21 63.25 1vgh n SER 11 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vgh h GLU 12 N 0.00 0.86 0.00 1.43 4.39 -1.92 -3.46 114.58 115.87 1vgh h GLU 12 Ca -0.35 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1vgh h GLU 12 Cb 1.03 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1vgh h GLU 12 CO 0.24 0.57 0.00 0.54 -1.16 0.00 0.00 179.01 179.19 1vgh n ARG 13 N -4.65 0.00 -1.74 2.33 1.74 -1.26 -5.08 116.66 107.99 1vgh n ARG 13 Ca 0.08 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 1vgh n ARG 13 Cb 0.10 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.51 1vgh n ARG 13 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1vgh s ARG 14 N 4.42 3.32 -1.03 5.56 0.52 -1.26 -4.74 118.95 125.73 1vgh s ARG 14 Ca 0.00 1.91 -0.09 0.00 -0.52 0.00 0.00 55.73 57.03 1vgh s ARG 14 Cb 0.00 -4.29 -0.07 0.00 0.52 0.00 0.00 34.95 31.11 1vgh s ARG 14 CO 0.00 -1.88 2.22 0.36 0.02 0.00 0.00 175.30 176.02 1vgh n LYS 15 N 8.49 2.29 0.11 3.54 0.00 -1.26 -4.71 118.16 126.62 1vgh n LYS 15 Ca 0.26 -1.69 -0.13 0.00 -0.00 0.00 0.00 58.31 56.75 1vgh n LYS 15 Cb 0.45 -2.62 -0.08 0.00 -0.00 0.00 0.00 35.03 32.79 1vgh n LYS 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1vgh h HIS 16 N 6.33 -0.18 -0.31 5.58 3.86 -1.93 -3.04 115.15 125.46 1vgh h HIS 16 Ca 0.55 -0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.57 1vgh h HIS 16 Cb 0.28 0.06 -0.09 0.00 1.06 0.00 0.00 27.41 28.71 1vgh h HIS 16 CO 1.82 -0.09 0.23 1.28 0.86 0.00 0.00 177.93 182.03 1vgh n LEU 17 N -5.16 4.85 -3.86 2.43 4.77 -1.26 -4.81 117.00 113.96 1vgh n LEU 17 Ca -0.08 -2.46 -0.12 0.00 -0.03 0.00 0.00 56.01 53.32 1vgh n LEU 17 Cb 0.12 -0.78 -0.11 0.00 -2.33 0.00 0.00 43.42 40.31 1vgh n LEU 17 CO 0.34 0.84 -0.21 -0.36 -1.33 0.00 0.00 177.39 176.68 1vgh s PHE 18 N -1.08 -0.04 -0.33 -1.77 0.40 -1.15 -1.75 117.98 112.27 1vgh s PHE 18 Ca 0.19 0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.51 1vgh s PHE 18 Cb 0.15 -0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.68 1vgh s PHE 18 CO 0.02 -0.17 0.15 0.14 0.70 0.00 0.00 175.22 176.06 1vgh s VAL 19 N -0.65 4.40 -0.24 -0.44 -7.23 -0.21 -4.87 120.40 111.16 1vgh s VAL 19 Ca -0.07 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 59.35 1vgh s VAL 19 Cb -0.04 -3.32 -0.05 0.00 0.56 0.00 0.00 36.38 33.53 1vgh s VAL 19 CO 0.01 -0.02 0.17 -1.58 -0.31 0.00 0.00 175.10 173.36 1vgh s GLN 20 N 1.56 4.07 0.09 4.82 0.74 -1.26 -1.97 119.66 127.70 1vgh s GLN 20 Ca 0.03 -0.26 -0.31 0.00 0.05 0.00 0.00 55.36 54.87 1vgh s GLN 20 Cb -0.18 -3.55 -0.08 0.00 1.10 0.00 0.00 33.01 30.31 1vgh s GLN 20 CO 0.05 0.04 1.50 0.34 -0.55 0.00 0.00 175.29 176.68 1vgh s ASP 21 N 1.10 6.72 0.35 6.67 -1.08 -0.42 -4.93 116.67 125.07 1vgh s ASP 21 Ca 0.08 2.39 0.11 0.00 -0.52 0.00 0.00 52.55 54.61 1vgh s ASP 21 Cb -0.14 -2.58 0.65 0.00 -1.46 0.00 0.00 42.92 39.39 1vgh s ASP 21 CO 0.05 -0.76 1.79 1.55 0.52 0.00 0.00 175.17 178.32 1vgh h PRO 22 N 7.38 0.07 0.11 4.34 0.13 -1.90 0.17 132.00 142.30 1vgh h PRO 22 Ca -0.42 -0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 1vgh h PRO 22 Cb 1.20 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1vgh h PRO 22 CO 0.90 0.44 -1.79 1.96 -0.23 0.00 0.00 178.00 179.27 1vgh h GLN 23 N 0.06 0.24 0.00 0.86 1.08 -1.92 -3.36 115.11 112.07 1vgh h GLN 23 Ca 0.00 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1vgh h GLN 23 Cb 0.70 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1vgh h GLN 23 CO 0.05 1.20 -1.80 0.25 -0.95 0.00 0.00 178.83 177.58 1vgh n THR 24 N -3.69 0.06 -2.03 -0.54 -2.24 -1.24 -4.99 114.28 99.61 1vgh n THR 24 Ca -0.30 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 60.85 1vgh n THR 24 Cb 0.98 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1vgh n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vgh s LYS 26 N -4.37 4.16 0.12 0.00 1.02 -1.26 -4.82 119.74 114.59 1vgh s LYS 26 Ca 0.00 0.62 0.05 0.00 0.02 0.00 0.00 55.97 56.66 1vgh s LYS 26 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1vgh s LYS 26 CO 0.00 0.56 0.02 0.00 -0.92 0.00 0.00 175.35 175.00 1vgh s SER 28 N -2.53 0.53 0.27 0.00 0.01 -0.83 -5.00 113.70 106.15 1vgh s SER 28 Ca 0.27 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.15 1vgh s SER 28 Cb -0.11 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 65.96 1vgh s SER 28 CO 0.19 0.05 1.07 0.00 0.41 0.00 0.00 173.24 174.97 1vgh h LYS 30 N 3.88 0.14 -6.94 0.00 1.57 -1.68 -3.45 116.57 110.10 1vgh h LYS 30 Ca -0.46 -0.06 -0.48 0.00 -1.87 0.00 0.00 60.65 57.77 1vgh h LYS 30 Cb 1.21 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.53 1vgh h LYS 30 CO 0.67 0.50 0.41 1.21 -0.57 0.00 0.00 179.45 181.68 1vgh s ASN 31 N -5.76 6.86 0.20 0.86 2.47 -1.26 -5.07 114.94 113.23 1vgh s ASN 31 Ca -0.15 2.05 0.05 0.00 0.42 0.00 0.00 52.86 55.24 1vgh s ASN 31 Cb 0.04 -2.59 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 1vgh s ASN 31 CO 0.70 -0.42 -0.08 0.42 -3.72 0.00 0.00 177.10 174.00 1vgh s THR 32 N -1.60 1.35 0.23 -5.21 -4.23 -1.26 -5.03 115.64 99.89 1vgh s THR 32 Ca 0.56 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1vgh s THR 32 Cb -0.23 -2.12 0.20 0.00 1.34 0.00 0.00 72.50 71.70 1vgh s THR 32 CO 0.29 -0.53 1.88 0.44 -0.54 0.00 0.00 174.62 176.16 1vgh h ASP 33 N 2.57 1.04 -0.22 3.99 5.19 -1.97 -2.02 116.42 124.99 1vgh h ASP 33 Ca -0.38 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 55.96 1vgh h ASP 33 Cb 1.21 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 1vgh h ASP 33 CO 0.64 0.79 0.11 0.77 -3.12 0.00 0.00 179.24 178.43 1vgh h SER 34 N 1.20 0.29 -0.54 6.45 4.64 -1.96 0.34 113.55 123.98 1vgh h SER 34 Ca 0.32 -0.12 0.11 0.00 -0.47 0.00 0.00 61.79 61.62 1vgh h SER 34 Cb -0.07 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 61.84 1vgh h SER 34 CO -0.06 0.33 -0.15 -0.09 -0.87 0.00 0.00 176.83 175.99 1vgh h ARG 35 N 0.23 -0.01 -0.12 4.77 9.65 -1.90 -0.96 114.38 126.05 1vgh h ARG 35 Ca 0.08 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.90 1vgh h ARG 35 Cb 0.12 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1vgh h ARG 35 CO -0.01 -0.01 -0.15 0.00 2.80 0.00 0.00 179.97 182.60 1vgh h LYS 37 N -0.10 0.80 -0.91 0.00 1.63 -0.60 -0.51 116.57 116.88 1vgh h LYS 37 Ca 0.01 -0.05 0.16 0.00 -0.85 0.00 0.00 60.65 59.93 1vgh h LYS 37 Cb 0.70 -0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 32.08 1vgh h LYS 37 CO 0.04 0.53 0.59 0.00 -3.45 0.00 0.00 179.45 177.15 1vgh h ALA 38 N 1.57 1.87 -0.65 5.00 0.00 -1.22 -0.48 119.26 125.35 1vgh h ALA 38 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1vgh h ALA 38 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vgh h ALA 38 CO -0.15 -0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.51 1vgh n ARG 39 N -4.58 3.87 -3.48 0.00 1.74 -0.44 -4.95 116.66 108.81 1vgh n ARG 39 Ca 0.19 -2.92 -0.18 0.00 -0.77 0.00 0.00 57.85 54.16 1vgh n ARG 39 Cb 0.52 -1.94 0.07 0.00 -1.02 0.00 0.00 32.46 30.10 1vgh n ARG 39 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vgh n GLN 40 N 1.12 -5.84 -4.43 5.56 3.00 -0.19 -5.03 117.38 111.57 1vgh n GLN 40 Ca 0.26 0.79 -0.21 0.00 -0.01 0.00 0.00 57.00 57.83 1vgh n GLN 40 Cb 0.93 -5.68 -0.09 0.00 0.00 0.00 0.00 30.24 25.39 1vgh n GLN 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1vgh s LEU 41 N -6.36 1.93 0.04 1.08 1.43 -0.33 -4.30 118.68 112.16 1vgh s LEU 41 Ca 0.04 -1.51 0.04 0.00 -1.03 0.00 0.00 54.13 51.67 1vgh s LEU 41 Cb -0.01 -0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 1vgh s LEU 41 CO 0.75 -0.79 -0.12 -1.61 0.23 0.00 0.00 176.35 174.81 1vgh s GLU 42 N -3.84 0.83 -0.04 1.70 2.02 -0.24 -2.47 118.70 116.65 1vgh s GLU 42 Ca 0.32 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 1vgh s GLU 42 Cb 0.06 -0.80 -0.04 0.00 0.10 0.00 0.00 34.13 33.45 1vgh s GLU 42 CO 0.15 0.19 1.22 -1.17 0.02 0.00 0.00 175.26 175.67 1vgh s LEU 43 N -1.11 4.29 -0.59 1.80 2.96 -1.26 -0.96 118.68 123.81 1vgh s LEU 43 Ca -0.00 1.85 -0.22 0.00 -0.22 0.00 0.00 54.13 55.54 1vgh s LEU 43 Cb -0.08 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.11 1vgh s LEU 43 CO 0.01 -0.59 0.87 0.21 -1.32 0.00 0.00 176.35 175.53 1vgh s ASN 44 N 1.49 6.24 0.57 3.68 2.47 -0.30 -4.94 114.94 124.16 1vgh s ASN 44 Ca 0.57 -0.79 0.31 0.00 0.42 0.00 0.00 52.86 53.36 1vgh s ASN 44 Cb -0.26 -2.39 1.43 0.00 -1.45 0.00 0.00 41.25 38.59 1vgh s ASN 44 CO 0.23 -1.24 1.81 -0.08 -3.72 0.00 0.00 177.10 174.10 1vgh h GLU 45 N 9.34 0.00 0.08 0.43 4.81 -1.94 0.36 114.58 127.65 1vgh h GLU 45 Ca -0.28 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.78 1vgh h GLU 45 Cb 1.08 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.48 1vgh h GLU 45 CO 1.10 0.00 -0.73 0.00 -0.73 0.00 0.00 179.01 178.65 1vgh h ARG 46 N 0.00 0.36 0.00 1.92 3.08 -1.97 -3.35 114.38 114.42 1vgh h ARG 46 Ca 0.35 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1vgh h ARG 46 Cb 1.68 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.89 1vgh h ARG 46 CO -0.00 1.18 -1.12 0.25 -1.07 0.00 0.00 179.97 179.21 1vgh n THR 47 N -4.16 0.00 -3.93 2.04 -2.24 -1.04 -4.02 114.28 100.94 1vgh n THR 47 Ca -0.12 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 1vgh n THR 47 Cb 0.76 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.63 1vgh n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vgh s ARG 49 N -6.59 2.76 -0.22 0.00 0.52 -1.24 -4.65 118.95 109.53 1vgh s ARG 49 Ca 0.18 -1.09 -0.21 0.00 -0.52 0.00 0.00 55.73 54.09 1vgh s ARG 49 Cb -0.07 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 1vgh s ARG 49 CO 0.90 0.42 0.63 0.00 0.02 0.00 0.00 175.30 177.26 1vgh n ASP 51 N 5.30 2.14 -4.50 0.00 9.92 -0.13 -4.91 116.55 124.37 1vgh n ASP 51 Ca -0.01 -2.60 -0.40 0.00 -0.53 0.00 0.00 54.79 51.25 1vgh n ASP 51 Cb 0.49 0.49 0.02 0.00 -0.64 0.00 0.00 41.12 41.49 1vgh n ASP 51 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1vgh n LYS 52 N -0.80 0.69 -1.92 -1.24 2.85 -1.17 -1.08 118.16 115.50 1vgh n LYS 52 Ca -0.10 0.26 -0.33 0.00 -1.05 0.00 0.00 58.31 57.09 1vgh n LYS 52 Cb 0.46 -1.72 -0.05 0.00 -0.65 0.00 0.00 35.03 33.06 1vgh n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1vgh n PRO 53 N 0.13 1.74 0.00 -1.58 -0.04 -1.26 -2.15 135.00 131.84 1vgh n PRO 53 Ca 0.11 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1vgh n PRO 53 Cb 0.43 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 1vgh n PRO 53 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1vgh n ARG 54 N 7.99 0.00 0.00 0.54 0.63 -1.26 -4.98 116.66 119.58 1vgh n ARG 54 Ca 0.46 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1vgh n ARG 54 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 1vgh n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01