#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 -0.14 -7.42 0.00 2.47 -2.08 -3.45 114.38 103.77 1vgh h ARG 2 Ca 0.00 0.01 -0.45 0.00 -1.26 0.00 0.00 59.98 58.28 1vgh h ARG 2 Cb 0.00 0.03 0.15 0.00 -1.65 0.00 0.00 29.97 28.50 1vgh h ARG 2 CO 0.00 0.24 0.24 1.14 0.56 0.00 0.00 179.97 182.15 1vgh s GLN 3 N -4.53 0.65 0.25 0.04 -2.07 -1.26 -5.01 119.66 107.72 1vgh s GLN 3 Ca -0.15 0.37 -0.30 0.00 -1.82 0.00 0.00 55.36 53.47 1vgh s GLN 3 Cb 0.02 -1.78 -0.10 0.00 -1.09 0.00 0.00 33.01 30.07 1vgh s GLN 3 CO 0.62 -2.55 1.38 -2.00 -1.32 0.00 0.00 175.29 171.42 1vgh s GLU 4 N -5.13 4.32 -0.13 9.60 2.12 -1.26 -5.03 118.70 123.19 1vgh s GLU 4 Ca 0.65 2.22 -0.09 0.00 0.36 0.00 0.00 54.97 58.11 1vgh s GLU 4 Cb -0.17 -3.13 0.04 0.00 0.26 0.00 0.00 34.13 31.14 1vgh s GLU 4 CO 0.56 -0.33 0.32 1.21 -0.54 0.00 0.00 175.26 176.47 1vgh s ASN 5 N 0.20 -0.36 0.00 -1.70 2.47 -1.26 -5.09 114.94 109.20 1vgh s ASN 5 Ca 0.57 0.67 0.00 0.00 0.42 0.00 0.00 52.86 54.52 1vgh s ASN 5 Cb -0.40 0.61 0.00 0.00 -1.45 0.00 0.00 41.25 40.01 1vgh s ASN 5 CO 0.44 -0.15 0.00 -0.81 -3.72 0.00 0.00 177.10 172.86 1vgh n PRO 6 N 3.67 0.00 -2.13 0.43 -0.04 -1.26 -4.94 135.00 130.73 1vgh n PRO 6 Ca -0.19 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.87 1vgh n PRO 6 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.70 0.74 3.70 0.00 0.00 -1.26 -5.05 105.19 104.02 1vgh n GLY 8 Ca 0.03 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.78 4.38 -0.04 1.61 0.04 -1.26 -4.96 135.00 129.99 1vgh s PRO 9 Ca 0.59 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 1vgh s PRO 9 Cb -0.03 -3.48 -0.18 0.00 0.04 0.00 0.00 34.50 30.84 1vgh s PRO 9 CO 0.39 -0.39 1.06 0.00 0.04 0.00 0.00 177.00 178.10 1vgh n SER 11 N -4.90 0.00 0.02 0.00 2.88 -1.26 -5.00 113.62 105.35 1vgh n SER 11 Ca -0.08 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1vgh n SER 11 Cb 0.27 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1vgh n SER 11 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vgh n GLU 12 N -1.43 0.00 0.00 -1.46 1.02 -1.26 -5.10 120.64 112.41 1vgh n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vgh n GLU 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1vgh n GLU 12 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1vgh n ARG 13 N -2.60 0.00 -1.44 3.49 5.12 -1.26 -4.78 116.66 115.18 1vgh n ARG 13 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 1vgh n ARG 13 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 1vgh n ARG 13 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1vgh n ARG 14 N -1.54 3.66 -2.64 5.56 1.74 -1.26 -4.78 116.66 117.41 1vgh n ARG 14 Ca 0.00 -2.36 -0.42 0.00 -0.77 0.00 0.00 57.85 54.30 1vgh n ARG 14 Cb 0.00 -2.64 -0.03 0.00 -1.02 0.00 0.00 32.46 28.77 1vgh n ARG 14 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1vgh s LYS 15 N 1.11 4.44 0.00 5.56 0.00 -1.26 -4.83 119.74 124.75 1vgh s LYS 15 Ca 0.66 1.47 0.00 0.00 0.00 0.00 0.00 55.97 58.09 1vgh s LYS 15 Cb 0.21 -3.52 0.00 0.00 0.00 0.00 0.00 37.83 34.52 1vgh s LYS 15 CO -0.07 -0.29 0.00 0.72 0.00 0.00 0.00 175.35 175.72 1vgh n HIS 16 N 4.77 -0.23 0.27 1.78 8.25 -1.26 -4.80 115.22 124.00 1vgh n HIS 16 Ca 0.09 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.60 1vgh n HIS 16 Cb 0.49 0.21 0.25 0.00 1.12 0.00 0.00 29.99 32.06 1vgh n HIS 16 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vgh n LEU 17 N -1.93 0.14 -4.74 2.41 7.99 -1.26 -4.62 117.00 114.99 1vgh n LEU 17 Ca 0.00 0.55 -0.39 0.00 -0.01 0.00 0.00 56.01 56.16 1vgh n LEU 17 Cb 0.00 -0.55 -0.06 0.00 -0.11 0.00 0.00 43.42 42.71 1vgh n LEU 17 CO 0.00 -0.46 0.27 -0.36 -1.51 0.00 0.00 177.39 175.33 1vgh s PHE 18 N -3.10 3.59 -0.18 -1.77 0.40 -1.26 -2.28 117.98 113.39 1vgh s PHE 18 Ca 0.03 1.08 -0.09 0.00 -0.60 0.00 0.00 56.93 57.35 1vgh s PHE 18 Cb 0.06 -2.63 -0.05 0.00 0.51 0.00 0.00 43.02 40.91 1vgh s PHE 18 CO 0.18 0.22 0.13 0.14 0.70 0.00 0.00 175.22 176.59 1vgh s VAL 19 N 0.38 5.44 -0.03 -0.44 -7.23 -0.08 -4.93 120.40 113.50 1vgh s VAL 19 Ca 0.30 0.20 0.07 0.00 -1.81 0.00 0.00 61.98 60.75 1vgh s VAL 19 Cb -0.17 -3.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1vgh s VAL 19 CO 0.15 0.49 -0.25 -1.58 -0.31 0.00 0.00 175.10 173.59 1vgh s GLN 20 N -0.06 2.22 -0.14 4.82 0.74 -1.26 -1.56 119.66 124.42 1vgh s GLN 20 Ca 0.10 -0.92 -0.29 0.00 0.05 0.00 0.00 55.36 54.30 1vgh s GLN 20 Cb -0.11 -2.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.89 1vgh s GLN 20 CO -0.00 0.52 1.42 0.34 -0.55 0.00 0.00 175.29 177.02 1vgh s ASP 21 N -0.52 6.80 0.44 6.67 -1.08 -0.40 -4.94 116.67 123.64 1vgh s ASP 21 Ca 0.07 1.84 0.19 0.00 -0.52 0.00 0.00 52.55 54.14 1vgh s ASP 21 Cb -0.11 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 39.96 1vgh s ASP 21 CO 0.00 -0.87 1.88 -0.65 0.52 0.00 0.00 175.17 176.05 1vgh h PRO 22 N 8.90 0.32 0.05 4.34 0.11 -1.97 -0.07 132.00 143.67 1vgh h PRO 22 Ca -0.31 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.51 1vgh h PRO 22 Cb 1.13 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1vgh h PRO 22 CO 0.97 0.21 -1.45 1.96 -0.21 0.00 0.00 178.00 179.49 1vgh h GLN 23 N 0.33 0.11 0.00 1.05 4.20 -1.99 -3.40 115.11 115.42 1vgh h GLN 23 Ca 0.43 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1vgh h GLN 23 Cb 1.15 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1vgh h GLN 23 CO -0.13 1.09 -1.22 0.25 -0.67 0.00 0.00 178.83 178.15 1vgh n THR 24 N -4.11 0.02 -1.72 -0.54 -2.24 -1.21 -4.97 114.28 99.51 1vgh n THR 24 Ca -0.30 -0.14 -0.17 0.00 -2.27 0.00 0.00 64.05 61.16 1vgh n THR 24 Cb 0.81 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 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 -3.83 4.05 -0.02 0.00 2.20 -1.25 -4.74 119.74 116.14 1vgh s LYS 26 Ca 0.00 1.35 -0.04 0.00 -0.36 0.00 0.00 55.97 56.93 1vgh s LYS 26 Cb 0.00 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1vgh s LYS 26 CO 0.00 -0.94 0.19 0.00 -0.36 0.00 0.00 175.35 174.23 1vgh s SER 28 N -1.81 0.10 0.05 0.00 0.15 -0.60 -5.00 113.70 106.60 1vgh s SER 28 Ca 0.26 -0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.42 1vgh s SER 28 Cb -0.13 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.22 1vgh s SER 28 CO 0.17 -0.18 0.80 0.00 1.20 0.00 0.00 173.24 175.22 1vgh h LYS 30 N 5.68 -0.16 -6.44 0.00 3.64 -1.83 -3.38 116.57 114.08 1vgh h LYS 30 Ca -0.44 0.01 -0.55 0.00 -1.27 0.00 0.00 60.65 58.41 1vgh h LYS 30 Cb 1.21 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1vgh h LYS 30 CO 0.71 0.01 1.08 1.21 -2.27 0.00 0.00 179.45 180.19 1vgh s ASN 31 N -5.17 6.19 0.55 4.20 2.47 -1.26 -4.96 114.94 116.97 1vgh s ASN 31 Ca -0.14 0.27 0.09 0.00 0.42 0.00 0.00 52.86 53.49 1vgh s ASN 31 Cb 0.04 -2.55 0.08 0.00 -1.45 0.00 0.00 41.25 37.37 1vgh s ASN 31 CO 0.64 -1.66 0.76 0.42 -3.72 0.00 0.00 177.10 173.55 1vgh s THR 32 N 5.83 2.28 0.31 -5.21 -4.23 -1.26 -4.86 115.64 108.50 1vgh s THR 32 Ca 0.51 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 1vgh s THR 32 Cb -0.10 -2.29 0.29 0.00 1.34 0.00 0.00 72.50 71.73 1vgh s THR 32 CO 0.25 0.00 1.90 -2.24 -0.54 0.00 0.00 174.62 173.99 1vgh h ASP 33 N 0.23 0.87 -0.46 3.99 2.03 -1.95 -2.51 116.42 118.62 1vgh h ASP 33 Ca -0.32 0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 55.89 1vgh h ASP 33 Cb 1.29 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.60 1vgh h ASP 33 CO 0.41 0.54 -0.12 0.77 -1.03 0.00 0.00 179.24 179.81 1vgh h SER 34 N 0.97 0.90 -0.06 4.15 4.64 -1.95 0.14 113.55 122.34 1vgh h SER 34 Ca 0.40 -0.37 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1vgh h SER 34 Cb 0.28 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1vgh h SER 34 CO -0.16 1.06 -0.08 0.03 -0.87 0.00 0.00 176.83 176.81 1vgh h ARG 35 N 0.73 -0.10 -0.21 4.77 -0.00 -1.86 -0.48 114.38 117.24 1vgh h ARG 35 Ca 0.11 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.58 1vgh h ARG 35 Cb 0.67 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.66 1vgh h ARG 35 CO 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 179.97 180.00 1vgh h LYS 37 N 0.15 0.30 0.00 0.00 3.64 -0.44 0.26 116.57 120.48 1vgh h LYS 37 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1vgh h LYS 37 Cb 0.28 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1vgh h LYS 37 CO 0.00 0.32 -0.00 0.00 -2.27 0.00 0.00 179.45 177.49 1vgh h ALA 38 N 1.73 1.81 -0.62 5.00 0.00 -1.02 -0.63 119.26 125.52 1vgh h ALA 38 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vgh h ALA 38 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1vgh h ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1vgh n ARG 39 N -4.27 3.25 -3.47 0.00 5.12 -0.23 -4.97 116.66 112.08 1vgh n ARG 39 Ca -0.03 -2.71 -0.18 0.00 -1.93 0.00 0.00 57.85 53.00 1vgh n ARG 39 Cb 0.09 -1.70 0.08 0.00 -1.16 0.00 0.00 32.46 29.77 1vgh n ARG 39 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1vgh n GLN 40 N 1.15 -6.50 -4.33 5.56 3.00 -0.24 -5.03 117.38 110.99 1vgh n GLN 40 Ca 0.23 0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 57.88 1vgh n GLN 40 Cb 0.74 -5.79 -0.10 0.00 0.00 0.00 0.00 30.24 25.08 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 -6.44 1.68 0.00 1.08 1.43 -0.09 -4.74 118.68 111.60 1vgh s LEU 41 Ca 0.03 -1.39 0.08 0.00 -1.03 0.00 0.00 54.13 51.83 1vgh s LEU 41 Cb -0.01 -0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.18 1vgh s LEU 41 CO 0.74 -0.72 -0.25 -1.61 0.23 0.00 0.00 176.35 174.74 1vgh s GLU 42 N -4.02 1.87 0.18 1.70 0.41 -0.02 -2.15 118.70 116.67 1vgh s GLU 42 Ca 0.38 -0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 53.70 1vgh s GLU 42 Cb 0.08 -1.89 -0.08 0.00 -1.78 0.00 0.00 34.13 30.47 1vgh s GLU 42 CO 0.14 0.51 1.04 -1.17 -0.49 0.00 0.00 175.26 175.28 1vgh s LEU 43 N -0.80 4.53 -0.38 1.80 2.96 -1.26 -0.93 118.68 124.60 1vgh s LEU 43 Ca 0.10 2.01 -0.22 0.00 -0.22 0.00 0.00 54.13 55.80 1vgh s LEU 43 Cb -0.09 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1vgh s LEU 43 CO 0.00 -0.11 0.71 0.21 -1.32 0.00 0.00 176.35 175.84 1vgh s ASN 44 N -0.34 6.46 0.38 3.68 2.47 -0.20 -4.94 114.94 122.45 1vgh s ASN 44 Ca 0.47 0.16 0.12 0.00 0.42 0.00 0.00 52.86 54.02 1vgh s ASN 44 Cb -0.27 -2.36 0.90 0.00 -1.45 0.00 0.00 41.25 38.07 1vgh s ASN 44 CO 0.34 -0.70 1.87 -0.08 -3.72 0.00 0.00 177.10 174.81 1vgh h GLU 45 N 8.56 0.57 0.02 0.43 4.81 -1.96 0.15 114.58 127.17 1vgh h GLU 45 Ca -0.25 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1vgh h GLU 45 Cb 1.10 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1vgh h GLU 45 CO 0.88 0.38 -0.12 0.00 -0.73 0.00 0.00 179.01 179.43 1vgh h ARG 46 N 0.59 0.05 0.00 1.92 2.47 -1.97 -3.35 114.38 114.10 1vgh h ARG 46 Ca 0.44 -0.08 -0.12 0.00 -1.26 0.00 0.00 59.98 58.96 1vgh h ARG 46 Cb 0.82 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.15 1vgh h ARG 46 CO -0.19 0.99 -1.26 1.79 0.56 0.00 0.00 179.97 181.86 1vgh h THR 47 N -0.85 0.38 -5.88 2.04 1.35 -1.96 -3.46 112.91 104.52 1vgh h THR 47 Ca -0.02 -1.73 -0.36 0.00 -0.55 0.00 0.00 66.41 63.75 1vgh h THR 47 Cb 1.04 1.91 0.12 0.00 -1.73 0.00 0.00 68.15 69.48 1vgh h THR 47 CO 0.02 0.21 -0.85 0.00 -0.25 0.00 0.00 175.52 174.65 1vgh s ARG 49 N -5.46 1.42 0.11 0.00 1.81 -1.25 -4.74 118.95 110.85 1vgh s ARG 49 Ca 0.23 -1.48 -0.18 0.00 -1.72 0.00 0.00 55.73 52.58 1vgh s ARG 49 Cb -0.05 -1.64 -0.07 0.00 -0.45 0.00 0.00 34.95 32.74 1vgh s ARG 49 CO 0.79 0.35 0.58 0.00 -0.68 0.00 0.00 175.30 176.33 1vgh s ASP 51 N -1.37 0.47 0.72 0.00 2.15 -0.10 -4.94 116.67 113.59 1vgh s ASP 51 Ca 0.33 -0.95 -0.16 0.00 0.43 0.00 0.00 52.55 52.20 1vgh s ASP 51 Cb -0.18 0.19 0.02 0.00 -0.30 0.00 0.00 42.92 42.65 1vgh s ASP 51 CO 0.19 -0.57 1.07 2.29 -0.17 0.00 0.00 175.17 177.98 1vgh n LYS 52 N 0.25 0.57 -1.44 4.34 2.85 -1.26 -0.84 118.16 122.63 1vgh n LYS 52 Ca -0.15 0.25 -0.11 0.00 -1.05 0.00 0.00 58.31 57.25 1vgh n LYS 52 Cb 0.60 -2.32 -0.09 0.00 -0.65 0.00 0.00 35.03 32.57 1vgh n LYS 52 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1vgh n PRO 53 N -2.12 0.14 -2.13 -1.58 -0.02 -1.26 -4.63 135.00 123.40 1vgh n PRO 53 Ca 0.14 -1.07 -0.42 0.00 -2.02 0.00 0.00 63.50 60.13 1vgh n PRO 53 Cb 0.49 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 1vgh n PRO 53 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1vgh n ARG 54 N 7.23 3.72 0.00 -0.52 0.63 -1.26 -5.12 116.66 121.35 1vgh n ARG 54 Ca 0.34 -3.33 0.16 0.00 -0.92 0.00 0.00 57.85 54.10 1vgh n ARG 54 Cb 0.45 -2.90 0.93 0.00 0.45 0.00 0.00 32.46 31.38 1vgh n ARG 54 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99