#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgh s ARG 2 N 0.00 1.10 -1.40 0.00 6.06 -1.26 -5.08 118.95 118.38 1vgh s ARG 2 Ca 0.00 -0.22 -0.16 0.00 -2.50 0.00 0.00 55.73 52.85 1vgh s ARG 2 Cb 0.00 0.51 0.05 0.00 0.06 0.00 0.00 34.95 35.57 1vgh s ARG 2 CO 0.00 -0.41 2.03 1.04 -2.50 0.00 0.00 175.30 175.46 1vgh n GLN 3 N 0.28 2.99 -1.35 5.12 6.02 -1.26 -4.83 117.38 124.36 1vgh n GLN 3 Ca -0.18 -2.87 -0.30 0.00 -0.01 0.00 0.00 57.00 53.64 1vgh n GLN 3 Cb 0.61 -3.37 -0.07 0.00 1.02 0.00 0.00 30.24 28.43 1vgh n GLN 3 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1vgh n GLU 4 N 6.98 3.20 -3.74 -1.09 -0.58 -1.26 -4.77 120.64 119.37 1vgh n GLU 4 Ca 0.51 -2.06 -0.13 0.00 -0.42 0.00 0.00 57.16 55.06 1vgh n GLU 4 Cb 0.42 -2.46 -0.10 0.00 -0.57 0.00 0.00 31.44 28.73 1vgh n GLU 4 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1vgh s ASN 5 N 1.63 -0.39 0.00 1.62 2.47 -1.26 -5.16 114.94 113.85 1vgh s ASN 5 Ca 0.65 0.74 0.00 0.00 0.42 0.00 0.00 52.86 54.67 1vgh s ASN 5 Cb 0.25 0.76 0.00 0.00 -1.45 0.00 0.00 41.25 40.81 1vgh s ASN 5 CO -0.07 -0.16 0.00 -0.81 -3.72 0.00 0.00 177.10 172.35 1vgh n PRO 6 N 2.76 0.00 -2.55 0.43 -0.04 -1.26 -4.95 135.00 129.39 1vgh n PRO 6 Ca -0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 1vgh n PRO 6 Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.28 2.67 0.23 0.00 0.00 -1.26 -5.05 107.32 102.63 1vgh s GLY 8 Ca 0.51 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 45.10 1vgh s GLY 8 CO 0.33 0.56 1.18 2.56 0.00 0.00 0.00 173.10 177.72 1vgh s PRO 9 N -1.71 4.53 0.01 2.90 0.04 -1.26 -4.96 135.00 134.55 1vgh s PRO 9 Ca 0.40 1.89 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 1vgh s PRO 9 Cb -0.18 -3.20 -0.17 0.00 0.04 0.00 0.00 34.50 30.98 1vgh s PRO 9 CO 0.22 0.00 1.36 0.00 0.04 0.00 0.00 177.00 178.62 1vgh s SER 11 N -5.75 3.71 0.00 0.00 1.04 -1.26 -5.10 113.70 106.33 1vgh s SER 11 Ca -0.15 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1vgh s SER 11 Cb 0.03 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1vgh s SER 11 CO 0.70 -2.35 0.00 -0.62 0.98 0.00 0.00 173.24 171.95 1vgh n GLU 12 N -3.46 0.00 0.14 4.02 4.71 -1.26 -5.03 120.64 119.75 1vgh n GLU 12 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1vgh n GLU 12 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.03 1vgh n GLU 12 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1vgh n ARG 13 N 0.00 0.00 -0.33 3.49 0.63 -1.26 -4.84 116.66 114.35 1vgh n ARG 13 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 1vgh n ARG 13 Cb 0.00 0.00 0.19 0.00 0.45 0.00 0.00 32.46 33.10 1vgh n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vgh h ARG 14 N 0.00 0.89 -2.60 -0.14 3.08 -2.04 -2.69 114.38 110.88 1vgh h ARG 14 Ca 0.00 -0.05 -0.52 0.00 0.07 0.00 0.00 59.98 59.48 1vgh h ARG 14 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1vgh h ARG 14 CO 0.00 0.59 2.23 1.63 -1.07 0.00 0.00 179.97 183.34 1vgh n LYS 15 N -4.67 3.18 -0.09 0.04 4.01 -1.26 -4.45 118.16 114.93 1vgh n LYS 15 Ca 0.16 -1.93 0.03 0.00 -0.51 0.00 0.00 58.31 56.05 1vgh n LYS 15 Cb 0.29 -2.50 0.10 0.00 -0.51 0.00 0.00 35.03 32.41 1vgh n LYS 15 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1vgh n HIS 16 N 2.95 0.22 -0.96 2.13 1.44 -1.02 -4.22 115.22 115.77 1vgh n HIS 16 Ca 0.65 -0.11 -0.14 0.00 -2.01 0.00 0.00 57.72 56.11 1vgh n HIS 16 Cb 0.47 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.53 1vgh n HIS 16 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1vgh n LEU 17 N -0.01 5.89 -3.83 2.39 4.32 -1.26 -4.82 117.00 119.67 1vgh n LEU 17 Ca 0.06 -3.22 -0.10 0.00 -0.02 0.00 0.00 56.01 52.73 1vgh n LEU 17 Cb 0.15 -1.21 -0.08 0.00 -1.62 0.00 0.00 43.42 40.66 1vgh n LEU 17 CO 0.04 1.40 -0.07 -0.36 -1.22 0.00 0.00 177.39 177.18 1vgh s PHE 18 N -0.65 0.06 0.09 -1.77 0.40 -1.26 -1.51 117.98 113.34 1vgh s PHE 18 Ca 0.39 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1vgh s PHE 18 Cb 0.23 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.71 1vgh s PHE 18 CO -0.05 -0.48 -0.08 0.14 0.70 0.00 0.00 175.22 175.45 1vgh s VAL 19 N -2.98 0.75 -0.00 -0.44 -7.23 -0.19 -4.70 120.40 105.61 1vgh s VAL 19 Ca -0.02 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1vgh s VAL 19 Cb 0.01 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1vgh s VAL 19 CO -0.06 -0.73 0.01 -1.58 -0.31 0.00 0.00 175.10 172.42 1vgh s GLN 20 N -3.29 0.00 -0.11 4.82 0.74 -1.26 -1.39 119.66 119.17 1vgh s GLN 20 Ca 0.08 0.02 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 1vgh s GLN 20 Cb 0.01 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.07 1vgh s GLN 20 CO -0.03 -0.02 1.42 0.34 -0.55 0.00 0.00 175.29 176.46 1vgh s ASP 21 N 0.11 6.83 0.47 6.67 2.15 -0.45 -4.93 116.67 127.51 1vgh s ASP 21 Ca -0.01 1.94 0.23 0.00 0.43 0.00 0.00 52.55 55.13 1vgh s ASP 21 Cb -0.01 -2.54 1.24 0.00 -0.30 0.00 0.00 42.92 41.31 1vgh s ASP 21 CO -0.00 -0.82 1.89 -0.65 -0.17 0.00 0.00 175.17 175.42 1vgh h PRO 22 N 8.68 0.23 0.00 4.34 0.11 -1.98 -0.47 132.00 142.91 1vgh h PRO 22 Ca -0.32 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.55 1vgh h PRO 22 Cb 1.14 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1vgh h PRO 22 CO 0.96 0.15 -1.22 1.96 -0.21 0.00 0.00 178.00 179.64 1vgh h GLN 23 N 0.24 0.00 0.00 1.05 4.20 -1.99 -3.41 115.11 115.19 1vgh h GLN 23 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1vgh h GLN 23 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1vgh h GLN 23 CO -0.10 1.00 -1.32 0.25 -0.67 0.00 0.00 178.83 177.99 1vgh n THR 24 N -4.44 0.02 -2.02 -0.54 -2.24 -1.22 -4.98 114.28 98.87 1vgh n THR 24 Ca -0.31 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.12 1vgh n THR 24 Cb 0.68 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 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 -4.30 4.26 -0.06 0.00 2.36 -1.26 -4.78 119.74 115.96 1vgh s LYS 26 Ca 0.00 1.42 -0.07 0.00 -2.55 0.00 0.00 55.97 54.77 1vgh s LYS 26 Cb 0.00 -3.66 -0.04 0.00 -1.05 0.00 0.00 37.83 33.07 1vgh s LYS 26 CO 0.00 -0.64 0.21 0.00 1.55 0.00 0.00 175.35 176.47 1vgh s SER 28 N -1.31 0.14 0.36 0.00 0.01 -0.48 -5.01 113.70 107.41 1vgh s SER 28 Ca 0.20 -0.31 -0.27 0.00 1.31 0.00 0.00 55.95 56.89 1vgh s SER 28 Cb -0.13 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.09 1vgh s SER 28 CO 0.10 -0.20 1.22 0.00 0.41 0.00 0.00 173.24 174.77 1vgh h LYS 30 N 3.07 0.46 -6.22 0.00 3.64 -1.55 -3.44 116.57 112.52 1vgh h LYS 30 Ca -0.49 -0.37 -0.55 0.00 -1.27 0.00 0.00 60.65 57.97 1vgh h LYS 30 Cb 1.23 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1vgh h LYS 30 CO 0.64 1.01 0.32 1.21 -2.27 0.00 0.00 179.45 180.36 1vgh s ASN 31 N -6.58 7.19 0.24 4.20 2.47 -1.26 -5.01 114.94 116.19 1vgh s ASN 31 Ca -0.13 1.45 0.09 0.00 0.42 0.00 0.00 52.86 54.69 1vgh s ASN 31 Cb 0.05 -2.51 -0.04 0.00 -1.45 0.00 0.00 41.25 37.30 1vgh s ASN 31 CO 0.81 -0.26 -0.02 0.42 -3.72 0.00 0.00 177.10 174.33 1vgh s THR 32 N 1.24 3.44 0.50 -5.21 -4.23 -1.26 -4.96 115.64 105.15 1vgh s THR 32 Ca 0.46 -1.81 0.19 0.00 -1.18 0.00 0.00 61.69 59.34 1vgh s THR 32 Cb -0.19 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.10 1vgh s THR 32 CO 0.22 -0.30 2.10 -0.78 -0.54 0.00 0.00 174.62 175.32 1vgh h ASP 33 N 2.15 0.00 -0.36 3.99 3.58 -1.97 -2.22 116.42 121.59 1vgh h ASP 33 Ca -0.45 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.03 1vgh h ASP 33 Cb 1.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.25 1vgh h ASP 33 CO 0.59 0.08 0.16 0.77 -2.88 0.00 0.00 179.24 177.96 1vgh h SER 34 N 0.00 0.22 -0.13 2.28 4.64 -1.96 0.91 113.55 119.52 1vgh h SER 34 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1vgh h SER 34 Cb 0.14 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1vgh h SER 34 CO 0.01 0.17 0.07 0.03 -0.87 0.00 0.00 176.83 176.24 1vgh h ARG 35 N 0.34 0.15 -0.29 4.77 3.08 -1.82 -1.61 114.38 119.01 1vgh h ARG 35 Ca 0.16 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1vgh h ARG 35 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1vgh h ARG 35 CO -0.12 0.10 0.16 0.00 -1.07 0.00 0.00 179.97 179.03 1vgh h LYS 37 N 0.33 0.49 0.00 0.00 3.64 -0.20 0.69 116.57 121.51 1vgh h LYS 37 Ca 0.12 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1vgh h LYS 37 Cb 0.02 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1vgh h LYS 37 CO -0.07 0.34 -0.05 0.00 -2.27 0.00 0.00 179.45 177.40 1vgh h ALA 38 N 1.75 1.80 -0.69 5.00 0.00 -1.01 -0.50 119.26 125.60 1vgh h ALA 38 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vgh h ALA 38 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vgh h ALA 38 CO -0.03 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1vgh n ARG 39 N -4.30 3.31 -3.52 0.00 3.00 -0.22 -4.96 116.66 109.96 1vgh n ARG 39 Ca -0.03 -2.79 -0.20 0.00 -0.01 0.00 0.00 57.85 54.82 1vgh n ARG 39 Cb 0.13 -1.76 0.08 0.00 0.00 0.00 0.00 32.46 30.91 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 1.38 -6.91 -4.52 5.56 3.00 -0.20 -5.03 117.38 110.67 1vgh n GLN 40 Ca 0.25 0.82 -0.25 0.00 -0.01 0.00 0.00 57.00 57.81 1vgh n GLN 40 Cb 0.78 -5.81 -0.09 0.00 0.00 0.00 0.00 30.24 25.12 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 -6.73 2.04 0.07 1.08 1.43 0.06 -4.76 118.68 111.88 1vgh s LEU 41 Ca 0.22 -1.61 0.04 0.00 -1.03 0.00 0.00 54.13 51.74 1vgh s LEU 41 Cb -0.10 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.89 1vgh s LEU 41 CO 0.74 -0.86 -0.11 -1.61 0.23 0.00 0.00 176.35 174.73 1vgh s GLU 42 N -3.76 0.76 0.16 1.70 0.41 -0.08 -2.02 118.70 115.88 1vgh s GLU 42 Ca 0.25 -0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 1vgh s GLU 42 Cb 0.04 -0.61 -0.08 0.00 -1.78 0.00 0.00 34.13 31.70 1vgh s GLU 42 CO 0.14 0.12 1.20 -1.17 -0.49 0.00 0.00 175.26 175.06 1vgh s LEU 43 N -1.94 4.44 -0.30 1.80 2.96 -1.26 -1.05 118.68 123.31 1vgh s LEU 43 Ca -0.01 2.20 -0.21 0.00 -0.22 0.00 0.00 54.13 55.89 1vgh s LEU 43 Cb -0.08 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 1vgh s LEU 43 CO 0.01 -0.39 0.65 0.21 -1.32 0.00 0.00 176.35 175.51 1vgh s ASN 44 N 0.30 6.52 0.38 3.68 3.84 -0.34 -4.92 114.94 124.40 1vgh s ASN 44 Ca 0.54 0.48 0.28 0.00 0.21 0.00 0.00 52.86 54.36 1vgh s ASN 44 Cb -0.32 -2.34 1.22 0.00 -0.55 0.00 0.00 41.25 39.25 1vgh s ASN 44 CO 0.35 -0.49 1.83 -0.33 -2.79 0.00 0.00 177.10 175.67 1vgh h GLU 45 N 8.16 0.00 0.02 0.43 3.07 -1.95 0.12 114.58 124.43 1vgh h GLU 45 Ca -0.26 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1vgh h GLU 45 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1vgh h GLU 45 CO 0.81 0.00 -0.01 0.00 -1.40 0.00 0.00 179.01 178.41 1vgh h ARG 46 N 0.00 -0.03 0.00 2.33 3.08 -1.96 -3.39 114.38 114.41 1vgh h ARG 46 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vgh h ARG 46 Cb 0.33 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1vgh h ARG 46 CO 0.00 0.13 -0.90 -2.37 -1.07 0.00 0.00 179.97 175.76 1vgh n THR 47 N -4.77 0.00 -3.42 2.04 5.66 -1.24 -5.02 114.28 107.52 1vgh n THR 47 Ca -0.02 -0.09 -0.19 0.00 -3.05 0.00 0.00 64.05 60.70 1vgh n THR 47 Cb 0.08 0.95 0.07 0.00 -1.55 0.00 0.00 70.33 69.88 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 -5.11 1.54 -0.03 0.00 0.52 -1.25 -4.67 118.95 109.96 1vgh s ARG 49 Ca 0.27 -1.68 -0.20 0.00 -0.52 0.00 0.00 55.73 53.60 1vgh s ARG 49 Cb -0.05 -1.56 -0.05 0.00 0.52 0.00 0.00 34.95 33.82 1vgh s ARG 49 CO 0.76 0.29 0.58 0.00 0.02 0.00 0.00 175.30 176.95 1vgh s ASP 51 N -0.01 0.39 0.37 0.00 2.15 -0.22 -4.93 116.67 114.41 1vgh s ASP 51 Ca 0.31 -0.79 -0.27 0.00 0.43 0.00 0.00 52.55 52.22 1vgh s ASP 51 Cb -0.18 0.16 -0.10 0.00 -0.30 0.00 0.00 42.92 42.51 1vgh s ASP 51 CO 0.16 -0.48 1.32 -0.54 -0.17 0.00 0.00 175.17 175.46 1vgh s LYS 52 N -2.90 4.17 0.24 4.34 1.02 -1.26 -0.90 119.74 124.45 1vgh s LYS 52 Ca -0.03 2.22 -0.01 0.00 0.02 0.00 0.00 55.97 58.17 1vgh s LYS 52 Cb 0.01 -2.93 0.27 0.00 -0.52 0.00 0.00 37.83 34.66 1vgh s LYS 52 CO -0.06 -0.35 1.63 -1.00 -0.92 0.00 0.00 175.35 174.66 1vgh h PRO 53 N 3.04 0.57 -3.07 -1.68 0.13 -1.91 -3.45 132.00 125.63 1vgh h PRO 53 Ca -0.49 -0.26 -0.10 0.00 -0.87 0.00 0.00 66.00 64.28 1vgh h PRO 53 Cb 1.24 -0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1vgh h PRO 53 CO 0.64 0.83 -0.21 1.03 -0.23 0.00 0.00 178.00 180.05 1vgh s ARG 54 N -4.37 0.78 0.00 0.86 1.81 -1.26 -5.10 118.95 111.67 1vgh s ARG 54 Ca -0.07 -0.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1vgh s ARG 54 Cb 0.13 0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.97 1vgh s ARG 54 CO 0.82 -0.24 0.33 0.54 -0.68 0.00 0.00 175.30 176.07