#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 0.23 -2.72 0.00 0.63 -0.97 -4.26 116.66 109.58 1vgh n ARG 2 Ca 0.00 0.10 -0.13 0.00 -0.92 0.00 0.00 57.85 56.90 1vgh n ARG 2 Cb 0.00 -0.90 -0.01 0.00 0.45 0.00 0.00 32.46 32.00 1vgh n ARG 2 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vgh n GLN 3 N -3.62 1.19 -1.63 -0.14 0.00 -1.21 -4.60 117.38 107.37 1vgh n GLN 3 Ca -0.18 -1.61 -0.44 0.00 0.00 0.00 0.00 57.00 54.77 1vgh n GLN 3 Cb 0.54 0.24 -0.04 0.00 0.00 0.00 0.00 30.24 30.98 1vgh n GLN 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1vgh n GLU 4 N -0.98 2.37 -3.98 2.61 4.71 -1.26 -4.14 120.64 119.98 1vgh n GLU 4 Ca -0.03 0.81 -0.09 0.00 -0.01 0.00 0.00 57.16 57.84 1vgh n GLU 4 Cb 0.29 -2.97 -0.10 0.00 -1.01 0.00 0.00 31.44 27.64 1vgh n GLU 4 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1vgh s ASN 5 N 5.67 0.25 -1.22 1.62 0.01 -0.26 -4.98 114.94 116.03 1vgh s ASN 5 Ca 0.94 -0.56 -0.21 0.00 -0.71 0.00 0.00 52.86 52.33 1vgh s ASN 5 Cb -0.48 0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.32 1vgh s ASN 5 CO 0.43 -0.40 1.83 -2.16 -1.51 0.00 0.00 177.10 175.29 1vgh s PRO 6 N -2.08 3.17 0.57 -0.60 0.04 -1.26 -4.68 135.00 130.15 1vgh s PRO 6 Ca -0.10 -1.49 -0.20 0.00 0.04 0.00 0.00 61.00 59.26 1vgh s PRO 6 Cb -0.05 -5.37 -0.04 0.00 0.04 0.00 0.00 34.50 29.08 1vgh s PRO 6 CO -0.03 -3.17 1.23 0.00 0.04 0.00 0.00 177.00 175.06 1vgh s GLY 8 N -1.47 1.64 0.08 0.00 0.00 -1.26 -4.98 107.32 101.33 1vgh s GLY 8 Ca 0.75 0.04 -0.31 0.00 0.00 0.00 0.00 44.72 45.20 1vgh s GLY 8 CO 0.35 0.46 1.28 2.56 0.00 0.00 0.00 173.10 177.75 1vgh s PRO 9 N -4.96 4.38 0.00 2.90 0.04 -1.26 -4.96 135.00 131.15 1vgh s PRO 9 Ca 0.62 1.89 -0.25 0.00 0.04 0.00 0.00 61.00 63.31 1vgh s PRO 9 Cb -0.17 -3.32 -0.14 0.00 0.04 0.00 0.00 34.50 30.91 1vgh s PRO 9 CO 0.56 -0.34 1.08 0.00 0.04 0.00 0.00 177.00 178.34 1vgh s SER 11 N -4.71 6.77 0.59 0.00 1.04 -1.26 -4.96 113.70 111.18 1vgh s SER 11 Ca -0.13 1.77 0.37 0.00 0.48 0.00 0.00 55.95 58.44 1vgh s SER 11 Cb 0.02 -2.55 1.80 0.00 0.10 0.00 0.00 66.02 65.39 1vgh s SER 11 CO 0.43 -0.48 2.15 1.05 0.98 0.00 0.00 173.24 177.38 1vgh h GLU 12 N 1.86 0.00 -6.94 4.02 4.11 -1.99 -3.45 114.58 112.19 1vgh h GLU 12 Ca -0.49 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.48 1vgh h GLU 12 Cb 1.19 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.49 1vgh h GLU 12 CO 0.61 0.02 0.05 1.03 0.07 0.00 0.00 179.01 180.79 1vgh s ARG 13 N -3.95 2.88 -1.08 1.06 0.52 -1.26 -4.99 118.95 112.12 1vgh s ARG 13 Ca -0.02 -0.29 -0.22 0.00 -0.52 0.00 0.00 55.73 54.67 1vgh s ARG 13 Cb 0.11 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.19 1vgh s ARG 13 CO 0.50 -0.58 1.74 1.03 0.02 0.00 0.00 175.30 178.01 1vgh s ARG 14 N -4.82 3.19 0.94 3.54 1.81 -1.26 -4.96 118.95 117.38 1vgh s ARG 14 Ca 0.53 -1.10 -0.11 0.00 -1.72 0.00 0.00 55.73 53.33 1vgh s ARG 14 Cb -0.10 -5.30 0.12 0.00 -0.45 0.00 0.00 34.95 29.22 1vgh s ARG 14 CO 0.42 -2.87 0.92 0.36 -0.68 0.00 0.00 175.30 173.45 1vgh n LYS 15 N 8.66 -0.47 0.00 3.54 2.85 -1.26 -4.88 118.16 126.60 1vgh n LYS 15 Ca 0.41 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.59 1vgh n LYS 15 Cb 0.48 -2.22 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 1vgh n LYS 15 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1vgh n HIS 16 N -4.09 -0.06 -0.07 5.58 1.44 -1.26 -4.90 115.22 111.86 1vgh n HIS 16 Ca 0.10 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.84 1vgh n HIS 16 Cb 0.53 0.01 0.36 0.00 0.12 0.00 0.00 29.99 31.01 1vgh n HIS 16 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1vgh h LEU 17 N 0.00 0.60 -9.58 2.39 3.38 -1.94 -3.42 115.31 106.74 1vgh h LEU 17 Ca 0.00 -0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 1vgh h LEU 17 Cb 0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1vgh h LEU 17 CO 0.00 0.45 -0.03 -0.36 0.09 0.00 0.00 178.44 178.59 1vgh s PHE 18 N -5.57 3.72 -0.17 1.13 0.40 -1.26 -1.24 117.98 114.99 1vgh s PHE 18 Ca -0.09 1.21 -0.05 0.00 -0.60 0.00 0.00 56.93 57.40 1vgh s PHE 18 Cb 0.17 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1vgh s PHE 18 CO 0.75 0.44 -0.01 0.14 0.70 0.00 0.00 175.22 177.24 1vgh s VAL 19 N -0.51 4.12 -0.04 -0.44 -7.23 -0.30 -4.92 120.40 111.08 1vgh s VAL 19 Ca 0.30 -0.27 0.01 0.00 -1.81 0.00 0.00 61.98 60.20 1vgh s VAL 19 Cb -0.18 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1vgh s VAL 19 CO 0.17 0.48 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.82 1vgh s GLN 20 N 0.45 2.78 -0.33 4.82 0.74 -1.26 -1.79 119.66 125.07 1vgh s GLN 20 Ca -0.02 -0.56 -0.13 0.00 0.05 0.00 0.00 55.36 54.70 1vgh s GLN 20 Cb -0.14 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 1vgh s GLN 20 CO 0.02 0.65 0.27 0.34 -0.55 0.00 0.00 175.29 176.02 1vgh s ASP 21 N -1.11 6.09 0.00 6.67 2.15 -0.42 -4.98 116.67 125.07 1vgh s ASP 21 Ca 0.15 -0.27 0.20 0.00 0.43 0.00 0.00 52.55 53.06 1vgh s ASP 21 Cb -0.11 -2.15 1.04 0.00 -0.30 0.00 0.00 42.92 41.39 1vgh s ASP 21 CO 0.05 -0.22 1.61 -0.81 -0.17 0.00 0.00 175.17 175.62 1vgh n PRO 22 N 5.17 0.36 -0.05 4.34 -0.04 -1.26 -0.72 135.00 142.81 1vgh n PRO 22 Ca -0.12 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 1vgh n PRO 22 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 1vgh n PRO 22 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1vgh h GLN 23 N 0.00 0.13 0.00 0.54 4.20 -1.85 -0.68 115.11 117.45 1vgh h GLN 23 Ca 0.00 -0.23 -0.37 0.00 0.06 0.00 0.00 58.65 58.11 1vgh h GLN 23 Cb 0.14 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1vgh h GLN 23 CO 0.00 1.11 -2.39 0.25 -0.67 0.00 0.00 178.83 177.12 1vgh n THR 24 N -4.06 1.42 -0.63 -0.54 -2.24 -1.23 -2.29 114.28 104.70 1vgh n THR 24 Ca -0.29 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1vgh n THR 24 Cb 0.83 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.37 3.94 0.18 0.00 2.20 -1.25 -4.72 119.74 119.73 1vgh s LYS 26 Ca 0.00 2.10 0.09 0.00 -0.36 0.00 0.00 55.97 57.80 1vgh s LYS 26 Cb 0.00 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 1vgh s LYS 26 CO 0.00 -0.49 -0.11 0.00 -0.36 0.00 0.00 175.35 174.39 1vgh s SER 28 N -2.78 0.11 -0.08 0.00 0.15 -0.74 -5.00 113.70 105.37 1vgh s SER 28 Ca 0.24 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 1vgh s SER 28 Cb -0.09 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 1vgh s SER 28 CO 0.15 -0.16 1.15 0.00 1.20 0.00 0.00 173.24 175.57 1vgh h LYS 30 N 7.39 0.77 -6.27 0.00 3.64 -1.53 -3.39 116.57 117.18 1vgh h LYS 30 Ca -0.32 -0.09 -0.57 0.00 -1.27 0.00 0.00 60.65 58.40 1vgh h LYS 30 Cb 1.15 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 1vgh h LYS 30 CO 0.88 0.59 0.91 1.21 -2.27 0.00 0.00 179.45 180.77 1vgh s ASN 31 N -6.55 6.83 0.29 4.20 2.47 -1.26 -5.02 114.94 115.91 1vgh s ASN 31 Ca -0.09 1.29 0.08 0.00 0.42 0.00 0.00 52.86 54.56 1vgh s ASN 31 Cb 0.17 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.39 1vgh s ASN 31 CO 0.77 -0.92 0.19 0.42 -3.72 0.00 0.00 177.10 173.84 1vgh s THR 32 N 3.90 3.83 0.37 -5.21 -4.23 -1.26 -4.96 115.64 108.08 1vgh s THR 32 Ca 0.52 -1.51 0.08 0.00 -1.18 0.00 0.00 61.69 59.60 1vgh s THR 32 Cb -0.17 -3.20 0.31 0.00 1.34 0.00 0.00 72.50 70.79 1vgh s THR 32 CO 0.18 -0.28 1.94 -2.24 -0.54 0.00 0.00 174.62 173.68 1vgh h ASP 33 N 1.48 0.60 -0.08 3.99 2.03 -1.95 -1.77 116.42 120.72 1vgh h ASP 33 Ca -0.46 0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1vgh h ASP 33 Cb 1.25 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1vgh h ASP 33 CO 0.60 0.37 0.03 -1.28 -1.03 0.00 0.00 179.24 177.93 1vgh h SER 34 N 0.67 0.10 -0.63 4.15 0.87 -1.95 0.43 113.55 117.20 1vgh h SER 34 Ca 0.34 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.81 1vgh h SER 34 Cb 0.43 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 1vgh h SER 34 CO -0.12 0.21 0.35 -0.09 -0.53 0.00 0.00 176.83 176.65 1vgh h ARG 35 N -0.01 0.64 -0.24 2.24 2.43 -1.81 -0.69 114.38 116.93 1vgh h ARG 35 Ca 0.03 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1vgh h ARG 35 Cb 0.14 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1vgh h ARG 35 CO -0.00 0.42 0.00 0.00 -1.51 0.00 0.00 179.97 178.88 1vgh h LYS 37 N 0.19 0.44 0.00 0.00 1.63 -0.47 0.63 116.57 118.99 1vgh h LYS 37 Ca 0.07 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1vgh h LYS 37 Cb 0.41 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1vgh h LYS 37 CO 0.01 0.50 -0.04 0.00 -3.45 0.00 0.00 179.45 176.48 1vgh h ALA 38 N 1.54 1.50 -0.70 5.00 0.00 -1.15 -0.32 119.26 125.12 1vgh h ALA 38 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vgh h ALA 38 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1vgh h ALA 38 CO 0.01 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.85 1vgh n ARG 39 N -3.85 2.88 -3.47 0.00 3.00 -0.17 -4.98 116.66 110.07 1vgh n ARG 39 Ca -0.03 -2.66 -0.18 0.00 -0.01 0.00 0.00 57.85 54.98 1vgh n ARG 39 Cb 0.13 -1.59 0.09 0.00 0.00 0.00 0.00 32.46 31.08 1vgh n ARG 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1vgh n GLN 40 N 1.50 -6.67 -4.39 5.56 3.00 -0.13 -5.03 117.38 111.21 1vgh n GLN 40 Ca 0.24 0.83 -0.23 0.00 -0.01 0.00 0.00 57.00 57.84 1vgh n GLN 40 Cb 0.65 -5.83 -0.08 0.00 0.00 0.00 0.00 30.24 24.98 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 -6.48 1.86 0.02 1.08 1.43 0.03 -4.81 118.68 111.81 1vgh s LEU 41 Ca 0.06 -1.74 0.04 0.00 -1.03 0.00 0.00 54.13 51.46 1vgh s LEU 41 Cb -0.03 0.27 -0.02 0.00 0.03 0.00 0.00 46.19 46.45 1vgh s LEU 41 CO 0.74 -1.02 -0.11 -1.61 0.23 0.00 0.00 176.35 174.57 1vgh s GLU 42 N -3.55 0.79 0.16 1.70 2.02 -0.11 -2.45 118.70 117.27 1vgh s GLU 42 Ca 0.32 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 1vgh s GLU 42 Cb 0.02 -0.75 -0.08 0.00 0.10 0.00 0.00 34.13 33.42 1vgh s GLU 42 CO 0.22 0.19 1.22 -1.17 0.02 0.00 0.00 175.26 175.74 1vgh s LEU 43 N -0.79 4.43 -0.29 1.80 2.96 -1.26 -1.06 118.68 124.46 1vgh s LEU 43 Ca 0.01 2.22 -0.21 0.00 -0.22 0.00 0.00 54.13 55.93 1vgh s LEU 43 Cb -0.06 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1vgh s LEU 43 CO 0.00 -0.41 0.66 0.21 -1.32 0.00 0.00 176.35 175.49 1vgh s ASN 44 N 0.33 6.55 0.31 3.68 2.47 -0.26 -4.94 114.94 123.08 1vgh s ASN 44 Ca 0.55 0.55 0.25 0.00 0.42 0.00 0.00 52.86 54.62 1vgh s ASN 44 Cb -0.33 -2.35 1.09 0.00 -1.45 0.00 0.00 41.25 38.21 1vgh s ASN 44 CO 0.35 -0.48 1.74 -0.33 -3.72 0.00 0.00 177.10 174.66 1vgh h GLU 45 N 8.10 0.00 0.01 0.43 4.39 -1.95 0.14 114.58 125.70 1vgh h GLU 45 Ca -0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1vgh h GLU 45 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1vgh h GLU 45 CO 0.81 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 178.66 1vgh h ARG 46 N 0.00 -0.02 0.00 2.33 -0.00 -1.97 -3.41 114.38 111.31 1vgh h ARG 46 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.32 1vgh h ARG 46 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.25 1vgh h ARG 46 CO 0.00 -0.01 -1.34 1.79 0.00 0.00 0.00 179.97 180.41 1vgh h THR 47 N -0.85 0.50 -5.22 2.04 1.35 -1.99 -3.49 112.91 105.25 1vgh h THR 47 Ca -0.00 -1.96 -0.27 0.00 -0.55 0.00 0.00 66.41 63.62 1vgh h THR 47 Cb 0.01 2.03 0.16 0.00 -1.73 0.00 0.00 68.15 68.63 1vgh h THR 47 CO 0.00 0.28 -0.71 0.00 -0.25 0.00 0.00 175.52 174.85 1vgh s ARG 49 N -4.93 1.81 -0.15 0.00 1.81 -1.25 -4.78 118.95 111.46 1vgh s ARG 49 Ca 0.12 -1.41 -0.21 0.00 -1.72 0.00 0.00 55.73 52.51 1vgh s ARG 49 Cb -0.02 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.45 1vgh s ARG 49 CO 0.65 0.41 0.60 0.00 -0.68 0.00 0.00 175.30 176.29 1vgh s ASP 51 N 0.96 1.12 0.41 0.00 1.01 -0.22 -4.90 116.67 115.05 1vgh s ASP 51 Ca 0.30 -0.99 -0.25 0.00 0.71 0.00 0.00 52.55 52.32 1vgh s ASP 51 Cb -0.16 0.09 -0.08 0.00 1.01 0.00 0.00 42.92 43.78 1vgh s ASP 51 CO 0.12 -0.46 1.28 -0.54 0.21 0.00 0.00 175.17 175.78 1vgh s LYS 52 N -3.74 3.92 0.04 8.23 1.02 -1.26 -0.94 119.74 127.01 1vgh s LYS 52 Ca 0.11 2.09 -0.22 0.00 0.02 0.00 0.00 55.97 57.97 1vgh s LYS 52 Cb 0.05 -2.70 -0.15 0.00 -0.52 0.00 0.00 37.83 34.51 1vgh s LYS 52 CO -0.05 -0.51 1.42 -1.00 -0.92 0.00 0.00 175.35 174.30 1vgh h PRO 53 N 2.57 0.19 0.00 -1.68 0.13 -1.92 -3.45 132.00 127.84 1vgh h PRO 53 Ca -0.49 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1vgh h PRO 53 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1vgh h PRO 53 CO 0.62 0.49 0.00 -2.13 -0.23 0.00 0.00 178.00 176.75 1vgh n ARG 54 N -4.78 0.00 0.00 0.86 0.00 -1.26 -5.10 116.66 106.38 1vgh n ARG 54 Ca -0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.90 1vgh n ARG 54 Cb 0.23 0.00 0.66 0.00 0.00 0.00 0.00 32.46 33.35 1vgh n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17