#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgh n ARG 2 N 0.00 2.68 -2.20 0.00 1.85 -1.26 -4.91 116.66 112.82 1vgh n ARG 2 Ca 0.00 -2.51 -0.35 0.00 -1.00 0.00 0.00 57.85 53.99 1vgh n ARG 2 Cb 0.00 -3.25 -0.04 0.00 -1.05 0.00 0.00 32.46 28.13 1vgh n ARG 2 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1vgh s GLN 3 N 3.46 2.84 0.34 2.89 0.74 -1.26 -4.89 119.66 123.78 1vgh s GLN 3 Ca 0.49 -0.14 -0.07 0.00 0.05 0.00 0.00 55.36 55.69 1vgh s GLN 3 Cb 0.14 -4.78 0.01 0.00 1.10 0.00 0.00 33.01 29.48 1vgh s GLN 3 CO -0.06 -2.81 0.54 -1.83 -0.55 0.00 0.00 175.29 170.57 1vgh s GLU 4 N 6.51 1.92 0.01 1.67 4.04 -1.26 -5.19 118.70 126.40 1vgh s GLU 4 Ca 0.60 -1.62 -0.05 0.00 0.04 0.00 0.00 54.97 53.95 1vgh s GLU 4 Cb -0.08 0.48 -0.01 0.00 0.02 0.00 0.00 34.13 34.55 1vgh s GLU 4 CO 0.07 -0.82 0.08 -0.80 -1.84 0.00 0.00 175.26 171.94 1vgh s ASN 5 N -3.17 0.12 -1.39 0.83 -0.87 -1.26 -5.07 114.94 104.13 1vgh s ASN 5 Ca 0.26 -0.35 -0.14 0.00 -1.57 0.00 0.00 52.86 51.07 1vgh s ASN 5 Cb -0.01 0.17 -0.02 0.00 -0.02 0.00 0.00 41.25 41.37 1vgh s ASN 5 CO 0.17 -0.36 2.37 -0.81 -2.57 0.00 0.00 177.10 175.89 1vgh n PRO 6 N 1.42 2.85 -4.14 -0.60 -0.04 -1.26 -4.85 135.00 128.38 1vgh n PRO 6 Ca -0.23 -2.35 -0.09 0.00 -0.04 0.00 0.00 63.50 60.79 1vgh n PRO 6 Cb 0.56 -3.08 -0.10 0.00 -0.04 0.00 0.00 33.50 30.84 1vgh n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vgh s GLY 8 N -3.01 1.87 0.10 0.00 0.00 -1.26 -5.10 107.32 99.91 1vgh s GLY 8 Ca 0.14 -2.49 -0.36 0.00 0.00 0.00 0.00 44.72 42.02 1vgh s GLY 8 CO -0.04 1.03 1.26 -1.05 0.00 0.00 0.00 173.10 174.29 1vgh n PRO 9 N 4.24 1.02 0.05 2.90 -0.02 -1.26 -4.92 135.00 137.01 1vgh n PRO 9 Ca 0.03 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.76 1vgh n PRO 9 Cb 0.41 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 31.86 1vgh n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vgh n SER 11 N -4.94 0.29 -2.29 0.00 3.41 -1.26 -5.11 113.62 103.73 1vgh n SER 11 Ca -0.08 -1.52 -0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1vgh n SER 11 Cb 0.26 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1vgh n SER 11 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vgh n GLU 12 N -3.23 -0.56 0.02 4.33 1.02 -1.26 -4.97 120.64 116.00 1vgh n GLU 12 Ca 0.14 -0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 1vgh n GLU 12 Cb 0.49 -0.02 -0.14 0.00 -0.02 0.00 0.00 31.44 31.75 1vgh n GLU 12 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1vgh h ARG 13 N 0.00 0.20 -0.73 3.49 9.65 -1.99 -3.31 114.38 121.70 1vgh h ARG 13 Ca -0.01 -0.35 0.15 0.00 -1.10 0.00 0.00 59.98 58.67 1vgh h ARG 13 Cb 0.02 0.13 -0.10 0.00 -1.39 0.00 0.00 29.97 28.62 1vgh h ARG 13 CO 0.00 1.02 0.21 -0.09 2.80 0.00 0.00 179.97 183.91 1vgh h ARG 14 N 0.06 0.30 -2.98 0.20 2.43 -2.04 -2.94 114.38 109.42 1vgh h ARG 14 Ca -0.33 -0.02 -0.52 0.00 -0.81 0.00 0.00 59.98 58.30 1vgh h ARG 14 Cb 2.03 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.52 1vgh h ARG 14 CO 0.11 0.20 2.93 1.63 -1.51 0.00 0.00 179.97 183.33 1vgh n LYS 15 N -5.11 3.01 0.26 0.20 5.02 -1.25 -4.64 118.16 115.64 1vgh n LYS 15 Ca 0.14 -1.81 0.17 0.00 -2.02 0.00 0.00 58.31 54.78 1vgh n LYS 15 Cb 0.43 -2.58 0.66 0.00 -0.02 0.00 0.00 35.03 33.53 1vgh n LYS 15 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 1vgh h HIS 16 N 5.08 0.00 0.00 2.13 2.07 -1.73 -2.97 115.15 119.72 1vgh h HIS 16 Ca 0.68 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.20 1vgh h HIS 16 Cb 0.41 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.39 1vgh h HIS 16 CO 1.88 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 178.02 1vgh n LEU 17 N -2.97 0.00 -4.83 6.12 4.77 -1.26 -4.62 117.00 114.22 1vgh n LEU 17 Ca 0.01 0.46 -0.37 0.00 -0.03 0.00 0.00 56.01 56.08 1vgh n LEU 17 Cb 0.29 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1vgh n LEU 17 CO 0.26 -0.26 0.27 -0.36 -1.33 0.00 0.00 177.39 175.97 1vgh s PHE 18 N -2.91 3.69 0.26 -1.77 0.40 -1.12 -1.80 117.98 114.73 1vgh s PHE 18 Ca 0.07 1.19 0.07 0.00 -0.60 0.00 0.00 56.93 57.67 1vgh s PHE 18 Cb 0.08 -2.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.11 1vgh s PHE 18 CO 0.22 0.48 -0.09 0.14 0.70 0.00 0.00 175.22 176.67 1vgh s VAL 19 N -1.33 1.76 -0.00 -0.44 -7.23 -0.13 -4.92 120.40 108.11 1vgh s VAL 19 Ca 0.35 -2.17 -0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1vgh s VAL 19 Cb -0.17 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1vgh s VAL 19 CO 0.19 -0.38 0.00 -1.58 -0.31 0.00 0.00 175.10 173.03 1vgh s GLN 20 N -3.68 -0.00 -0.01 4.82 0.74 -1.26 -1.43 119.66 118.83 1vgh s GLN 20 Ca 0.28 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.41 1vgh s GLN 20 Cb 0.02 -0.02 -0.07 0.00 1.10 0.00 0.00 33.01 34.04 1vgh s GLN 20 CO 0.11 -0.01 1.67 0.34 -0.55 0.00 0.00 175.29 176.84 1vgh s ASP 21 N 0.09 6.64 0.30 6.67 -1.08 -0.31 -4.91 116.67 124.07 1vgh s ASP 21 Ca -0.01 2.34 0.05 0.00 -0.52 0.00 0.00 52.55 54.41 1vgh s ASP 21 Cb -0.01 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.67 1vgh s ASP 21 CO -0.00 -0.91 1.69 -0.65 0.52 0.00 0.00 175.17 175.82 1vgh h PRO 22 N 9.15 0.39 0.00 4.34 0.11 -1.98 -1.00 132.00 143.02 1vgh h PRO 22 Ca -0.41 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.37 1vgh h PRO 22 Cb 1.19 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1vgh h PRO 22 CO 0.94 0.26 -1.68 1.04 -0.21 0.00 0.00 178.00 178.35 1vgh n GLN 23 N -5.04 0.58 0.00 1.05 1.13 -1.26 -4.61 117.38 109.22 1vgh n GLN 23 Ca 0.23 0.47 0.10 0.00 -1.94 0.00 0.00 57.00 55.87 1vgh n GLN 23 Cb 0.69 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 1vgh n GLN 23 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1vgh n THR 24 N -4.34 0.01 -1.28 5.09 -2.24 -1.23 -4.99 114.28 105.30 1vgh n THR 24 Ca -0.39 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 1vgh n THR 24 Cb 0.76 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 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 -2.69 4.71 -0.14 0.00 3.01 -1.26 -4.71 119.74 118.66 1vgh s LYS 26 Ca 0.00 1.49 -0.09 0.00 -1.01 0.00 0.00 55.97 56.36 1vgh s LYS 26 Cb 0.00 -3.35 -0.04 0.00 -1.01 0.00 0.00 37.83 33.42 1vgh s LYS 26 CO 0.00 0.23 0.16 0.00 0.51 0.00 0.00 175.35 176.26 1vgh s SER 28 N -0.54 0.10 0.18 0.00 1.04 -0.52 -5.01 113.70 108.94 1vgh s SER 28 Ca 0.14 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 1vgh s SER 28 Cb -0.12 0.12 -0.07 0.00 0.10 0.00 0.00 66.02 66.05 1vgh s SER 28 CO 0.03 -0.21 0.97 0.00 0.98 0.00 0.00 173.24 175.00 1vgh h LYS 30 N 4.87 0.36 -6.25 0.00 1.63 -1.71 -3.41 116.57 112.06 1vgh h LYS 30 Ca -0.44 -0.10 -0.56 0.00 -0.85 0.00 0.00 60.65 58.71 1vgh h LYS 30 Cb 1.21 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 1vgh h LYS 30 CO 0.70 0.50 0.75 1.21 -3.45 0.00 0.00 179.45 179.16 1vgh s ASN 31 N -5.79 7.05 0.37 4.20 2.47 -1.26 -5.03 114.94 116.95 1vgh s ASN 31 Ca -0.14 1.72 0.08 0.00 0.42 0.00 0.00 52.86 54.95 1vgh s ASN 31 Cb 0.07 -2.55 -0.06 0.00 -1.45 0.00 0.00 41.25 37.26 1vgh s ASN 31 CO 0.73 -0.62 0.04 0.42 -3.72 0.00 0.00 177.10 173.94 1vgh s THR 32 N 2.60 2.36 0.32 -5.21 -4.23 -1.26 -4.94 115.64 105.29 1vgh s THR 32 Ca 0.54 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1vgh s THR 32 Cb -0.23 -2.87 0.29 0.00 1.34 0.00 0.00 72.50 71.03 1vgh s THR 32 CO 0.18 -0.11 1.90 -2.24 -0.54 0.00 0.00 174.62 173.82 1vgh h ASP 33 N 1.74 0.82 -0.25 3.99 2.03 -1.96 -2.12 116.42 120.67 1vgh h ASP 33 Ca -0.43 0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 55.86 1vgh h ASP 33 Cb 1.25 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 39.58 1vgh h ASP 33 CO 0.71 0.50 0.06 0.77 -1.03 0.00 0.00 179.24 180.25 1vgh h SER 34 N 0.92 0.39 -0.36 4.15 4.64 -1.96 0.46 113.55 121.78 1vgh h SER 34 Ca 0.40 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1vgh h SER 34 Cb 0.34 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1vgh h SER 34 CO -0.16 0.52 0.24 0.03 -0.87 0.00 0.00 176.83 176.59 1vgh h ARG 35 N 0.24 0.48 -0.25 4.77 3.08 -1.90 -0.64 114.38 120.17 1vgh h ARG 35 Ca 0.08 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1vgh h ARG 35 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1vgh h ARG 35 CO 0.00 0.33 0.09 0.00 -1.07 0.00 0.00 179.97 179.32 1vgh h LYS 37 N 0.24 1.26 -0.38 0.00 3.64 -0.63 0.54 116.57 121.24 1vgh h LYS 37 Ca 0.08 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1vgh h LYS 37 Cb 0.21 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1vgh h LYS 37 CO -0.00 0.84 0.26 0.00 -2.27 0.00 0.00 179.45 178.28 1vgh h ALA 38 N 1.40 2.18 -0.63 5.00 0.00 -1.06 -0.72 119.26 125.43 1vgh h ALA 38 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1vgh h ALA 38 Cb -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1vgh h ALA 38 CO -0.08 -0.27 0.00 0.54 0.00 0.00 0.00 179.25 179.44 1vgh n ARG 39 N -4.46 2.58 -3.25 0.00 1.74 -0.32 -4.96 116.66 107.99 1vgh n ARG 39 Ca 0.05 -2.44 -0.16 0.00 -0.77 0.00 0.00 57.85 54.54 1vgh n ARG 39 Cb 0.36 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.51 -5.81 -4.35 5.56 1.13 -0.28 -5.04 117.38 110.11 1vgh n GLN 40 Ca 0.22 0.67 -0.19 0.00 -1.94 0.00 0.00 57.00 55.76 1vgh n GLN 40 Cb 0.59 -5.18 -0.10 0.00 0.11 0.00 0.00 30.24 25.66 1vgh n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1vgh s LEU 41 N -5.73 1.71 -0.09 1.08 1.43 0.03 -4.70 118.68 112.41 1vgh s LEU 41 Ca 0.24 -1.49 0.02 0.00 -1.03 0.00 0.00 54.13 51.86 1vgh s LEU 41 Cb -0.10 0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.21 1vgh s LEU 41 CO 0.58 -0.82 -0.15 -1.61 0.23 0.00 0.00 176.35 174.58 1vgh s GLU 42 N -3.89 2.07 0.04 1.70 8.01 -0.38 -2.58 118.70 123.67 1vgh s GLU 42 Ca 0.36 -0.53 -0.30 0.00 0.01 0.00 0.00 54.97 54.50 1vgh s GLU 42 Cb 0.06 -1.71 -0.07 0.00 -4.31 0.00 0.00 34.13 28.09 1vgh s GLU 42 CO 0.16 0.01 1.60 -1.17 0.01 0.00 0.00 175.26 175.86 1vgh s LEU 43 N 0.77 4.35 -0.94 1.80 2.96 -1.26 -0.73 118.68 125.62 1vgh s LEU 43 Ca -0.12 2.38 -0.19 0.00 -0.22 0.00 0.00 54.13 55.98 1vgh s LEU 43 Cb -0.16 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.10 1vgh s LEU 43 CO 0.02 -0.85 1.15 0.21 -1.32 0.00 0.00 176.35 175.56 1vgh s ASN 44 N 2.37 6.63 0.42 3.68 2.47 -0.25 -4.91 114.94 125.35 1vgh s ASN 44 Ca 0.72 -2.05 0.11 0.00 0.42 0.00 0.00 52.86 52.06 1vgh s ASN 44 Cb -0.37 -2.41 0.60 0.00 -1.45 0.00 0.00 41.25 37.63 1vgh s ASN 44 CO 0.31 -1.07 1.23 1.05 -3.72 0.00 0.00 177.10 174.89 1vgh h GLU 45 N 8.83 0.00 0.13 0.43 9.09 -1.92 0.36 114.58 131.49 1vgh h GLU 45 Ca 0.16 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.32 1vgh h GLU 45 Cb 1.02 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.15 1vgh h GLU 45 CO 1.12 0.00 -1.05 0.00 0.05 0.00 0.00 179.01 179.13 1vgh h ARG 46 N 0.00 0.49 0.00 1.06 3.08 -1.96 -3.36 114.38 113.69 1vgh h ARG 46 Ca 0.00 -0.70 0.00 0.00 0.07 0.00 0.00 59.98 59.35 1vgh h ARG 46 Cb 1.00 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1vgh h ARG 46 CO 0.00 1.31 -0.69 -2.37 -1.07 0.00 0.00 179.97 177.14 1vgh n THR 47 N -3.95 0.00 -3.70 2.04 5.66 -0.68 -5.04 114.28 108.62 1vgh n THR 47 Ca -0.14 -0.23 -0.30 0.00 -3.05 0.00 0.00 64.05 60.33 1vgh n THR 47 Cb 0.91 0.89 0.04 0.00 -1.55 0.00 0.00 70.33 70.61 1vgh n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vgh s ARG 49 N -5.99 1.17 -0.15 0.00 0.52 -1.24 -4.76 118.95 108.50 1vgh s ARG 49 Ca 0.41 -1.29 -0.21 0.00 -0.52 0.00 0.00 55.73 54.13 1vgh s ARG 49 Cb -0.14 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.04 1vgh s ARG 49 CO 0.86 0.27 0.61 0.00 0.02 0.00 0.00 175.30 177.06 1vgh s ASP 51 N 0.98 4.69 0.04 0.00 2.15 0.09 -4.85 116.67 119.76 1vgh s ASP 51 Ca 0.30 -0.17 -0.30 0.00 0.43 0.00 0.00 52.55 52.81 1vgh s ASP 51 Cb -0.16 -1.08 -0.04 0.00 -0.30 0.00 0.00 42.92 41.33 1vgh s ASP 51 CO 0.12 0.25 1.05 -0.75 -0.17 0.00 0.00 175.17 175.67 1vgh s LYS 52 N -1.65 4.53 -1.03 4.34 2.36 -1.26 -1.25 119.74 125.77 1vgh s LYS 52 Ca 0.19 1.54 -0.23 0.00 -2.55 0.00 0.00 55.97 54.92 1vgh s LYS 52 Cb -0.11 -3.41 -0.02 0.00 -1.05 0.00 0.00 37.83 33.23 1vgh s LYS 52 CO 0.10 -0.09 1.82 -1.25 1.55 0.00 0.00 175.35 177.48 1vgh s PRO 53 N 0.88 2.90 -0.02 4.03 0.04 -1.26 -4.81 135.00 136.77 1vgh s PRO 53 Ca 0.53 -0.84 -0.08 0.00 0.04 0.00 0.00 61.00 60.65 1vgh s PRO 53 Cb -0.24 -5.21 -0.05 0.00 0.04 0.00 0.00 34.50 29.04 1vgh s PRO 53 CO 0.29 -3.17 0.54 -0.09 0.04 0.00 0.00 177.00 174.62 1vgh h ARG 54 N 10.24 -0.29 0.00 4.56 9.65 -2.01 -3.54 114.38 132.99 1vgh h ARG 54 Ca 0.18 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1vgh h ARG 54 Cb 0.98 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1vgh h ARG 54 CO 1.28 -0.19 0.00 0.54 2.80 0.00 0.00 179.97 184.40