#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 0.00 -3.11 0.00 0.63 -1.26 -5.01 116.66 107.90 1vgh n ARG 2 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1vgh n ARG 2 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 1vgh n ARG 2 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1vgh n GLN 3 N 0.00 -1.68 -1.20 -0.14 3.00 -1.26 -4.98 117.38 111.12 1vgh n GLN 3 Ca 0.00 1.59 -0.31 0.00 -0.01 0.00 0.00 57.00 58.26 1vgh n GLN 3 Cb 0.00 -5.12 0.10 0.00 0.00 0.00 0.00 30.24 25.23 1vgh n GLN 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1vgh s GLU 4 N -3.09 2.03 -0.42 -1.09 2.02 -1.26 -5.04 118.70 111.86 1vgh s GLU 4 Ca 0.09 1.31 0.02 0.00 0.02 0.00 0.00 54.97 56.41 1vgh s GLU 4 Cb -0.02 -1.86 0.15 0.00 0.10 0.00 0.00 34.13 32.49 1vgh s GLU 4 CO 0.78 -1.83 0.26 1.21 0.02 0.00 0.00 175.26 175.70 1vgh s ASN 5 N -3.08 3.06 -0.25 -0.19 2.47 -1.26 -5.11 114.94 110.59 1vgh s ASN 5 Ca 0.64 -2.62 -0.35 0.00 0.42 0.00 0.00 52.86 50.95 1vgh s ASN 5 Cb -0.19 -0.72 -0.11 0.00 -1.45 0.00 0.00 41.25 38.77 1vgh s ASN 5 CO 0.54 -0.25 2.04 -2.65 -3.72 0.00 0.00 177.10 173.06 1vgh n PRO 6 N 3.51 1.53 -3.89 0.43 -0.02 -1.26 -4.95 135.00 130.34 1vgh n PRO 6 Ca 0.14 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1vgh n PRO 6 Cb 0.38 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.21 1vgh n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vgh s GLY 8 N -2.12 1.72 0.31 0.00 0.00 -1.26 -5.06 107.32 100.91 1vgh s GLY 8 Ca -0.05 -1.15 -0.28 0.00 0.00 0.00 0.00 44.72 43.24 1vgh s GLY 8 CO -0.04 -0.62 1.05 2.56 0.00 0.00 0.00 173.10 176.05 1vgh s PRO 9 N -5.41 4.54 -0.01 2.90 0.04 -1.26 -4.99 135.00 130.81 1vgh s PRO 9 Ca 0.65 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 63.10 1vgh s PRO 9 Cb -0.08 -3.00 -0.16 0.00 0.04 0.00 0.00 34.50 31.30 1vgh s PRO 9 CO 0.47 0.17 1.11 0.00 0.04 0.00 0.00 177.00 178.79 1vgh n SER 11 N -5.06 0.00 0.00 0.00 3.41 -1.26 -5.07 113.62 105.64 1vgh n SER 11 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1vgh n SER 11 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1vgh n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1vgh n GLU 12 N 0.00 0.00 0.00 4.33 4.07 -1.26 -4.99 120.64 122.79 1vgh n GLU 12 Ca 0.00 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1vgh n GLU 12 Cb 0.00 -0.79 0.00 0.00 -0.06 0.00 0.00 31.44 30.59 1vgh n GLU 12 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1vgh n ARG 13 N -0.69 0.00 -1.33 5.31 1.85 -1.26 -4.79 116.66 115.75 1vgh n ARG 13 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1vgh n ARG 13 Cb 0.00 -0.06 -0.04 0.00 -1.05 0.00 0.00 32.46 31.31 1vgh n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1vgh n ARG 14 N -2.23 3.67 -0.70 2.89 5.12 -1.26 -4.74 116.66 119.42 1vgh n ARG 14 Ca 0.00 -2.21 -0.11 0.00 -1.93 0.00 0.00 57.85 53.60 1vgh n ARG 14 Cb 0.00 -2.75 0.04 0.00 -1.16 0.00 0.00 32.46 28.59 1vgh n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1vgh n LYS 15 N 3.43 1.56 0.10 5.56 2.85 -1.26 -4.55 118.16 125.85 1vgh n LYS 15 Ca 0.76 -1.15 0.01 0.00 -1.05 0.00 0.00 58.31 56.89 1vgh n LYS 15 Cb 0.26 -1.45 0.34 0.00 -0.65 0.00 0.00 35.03 33.54 1vgh n LYS 15 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vgh h HIS 16 N 1.08 0.30 0.00 5.58 3.86 -1.93 -1.42 115.15 122.62 1vgh h HIS 16 Ca 0.22 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1vgh h HIS 16 Cb 1.14 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 1vgh h HIS 16 CO 0.64 0.44 -0.11 -0.07 0.86 0.00 0.00 177.93 179.69 1vgh h LEU 17 N 0.26 0.00 -9.79 2.43 -0.00 -1.84 -3.44 115.31 102.94 1vgh h LEU 17 Ca 0.05 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.37 1vgh h LEU 17 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.08 1vgh h LEU 17 CO 0.03 0.11 -0.07 -0.36 -0.00 0.00 0.00 178.44 178.15 1vgh s PHE 18 N -3.70 3.67 -0.15 1.13 0.40 -0.53 -1.63 117.98 117.17 1vgh s PHE 18 Ca 0.01 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 1vgh s PHE 18 Cb 0.10 -2.41 -0.00 0.00 0.51 0.00 0.00 43.02 41.21 1vgh s PHE 18 CO 0.59 0.48 -0.16 0.14 0.70 0.00 0.00 175.22 176.97 1vgh s VAL 19 N -1.35 2.65 -0.18 -0.44 -7.23 -0.30 -4.92 120.40 108.63 1vgh s VAL 19 Ca 0.35 -0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 59.64 1vgh s VAL 19 Cb -0.16 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1vgh s VAL 19 CO 0.19 0.52 0.14 -1.58 -0.31 0.00 0.00 175.10 174.05 1vgh s GLN 20 N 0.78 4.02 0.00 4.82 0.74 -1.26 -1.92 119.66 126.85 1vgh s GLN 20 Ca -0.06 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 1vgh s GLN 20 Cb -0.15 -3.37 -0.07 0.00 1.10 0.00 0.00 33.01 30.52 1vgh s GLN 20 CO 0.00 0.41 1.60 0.34 -0.55 0.00 0.00 175.29 177.09 1vgh s ASP 21 N 0.05 6.68 0.36 6.67 -1.08 -0.51 -4.92 116.67 123.92 1vgh s ASP 21 Ca 0.10 2.31 0.12 0.00 -0.52 0.00 0.00 52.55 54.56 1vgh s ASP 21 Cb -0.11 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.72 1vgh s ASP 21 CO -0.00 -0.87 1.80 -0.65 0.52 0.00 0.00 175.17 175.97 1vgh h PRO 22 N 8.73 0.56 0.02 4.34 0.11 -1.97 -0.24 132.00 143.55 1vgh h PRO 22 Ca -0.40 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 1vgh h PRO 22 Cb 1.19 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1vgh h PRO 22 CO 0.93 0.37 -1.34 1.96 -0.21 0.00 0.00 178.00 179.72 1vgh h GLN 23 N 0.58 0.03 0.00 1.05 4.20 -1.97 -3.41 115.11 115.58 1vgh h GLN 23 Ca 0.55 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1vgh h GLN 23 Cb 1.11 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1vgh h GLN 23 CO -0.30 1.03 -1.73 0.25 -0.67 0.00 0.00 178.83 177.41 1vgh n THR 24 N -4.32 0.05 -1.88 -0.54 -2.24 -1.23 -4.98 114.28 99.14 1vgh n THR 24 Ca -0.32 -0.41 -0.19 0.00 -2.27 0.00 0.00 64.05 60.86 1vgh n THR 24 Cb 0.73 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 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 -4.16 4.25 0.21 0.00 1.02 -1.26 -4.75 119.74 115.05 1vgh s LYS 26 Ca 0.00 0.64 0.05 0.00 0.02 0.00 0.00 55.97 56.68 1vgh s LYS 26 Cb 0.00 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1vgh s LYS 26 CO 0.00 0.42 0.24 0.00 -0.92 0.00 0.00 175.35 175.09 1vgh s SER 28 N -3.58 0.43 0.05 0.00 0.01 -0.81 -4.99 113.70 104.81 1vgh s SER 28 Ca 0.33 -0.26 -0.24 0.00 1.31 0.00 0.00 55.95 57.09 1vgh s SER 28 Cb -0.09 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.09 1vgh s SER 28 CO 0.26 -0.09 0.75 0.00 0.41 0.00 0.00 173.24 174.57 1vgh h LYS 30 N 5.55 1.02 -6.04 0.00 2.10 -1.66 -3.37 116.57 114.17 1vgh h LYS 30 Ca -0.44 -0.20 -0.60 0.00 -2.00 0.00 0.00 60.65 57.40 1vgh h LYS 30 Cb 1.20 -0.16 -0.11 0.00 -0.90 0.00 0.00 32.23 32.27 1vgh h LYS 30 CO 0.70 0.87 0.60 1.21 -2.00 0.00 0.00 179.45 180.84 1vgh s ASN 31 N -6.48 6.41 0.36 7.07 2.47 -1.26 -5.02 114.94 118.49 1vgh s ASN 31 Ca -0.11 -0.12 0.07 0.00 0.42 0.00 0.00 52.86 53.12 1vgh s ASN 31 Cb 0.15 -2.45 -0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1vgh s ASN 31 CO 0.82 -1.17 0.50 0.42 -3.72 0.00 0.00 177.10 173.95 1vgh s THR 32 N 3.94 3.81 0.20 -5.21 -4.23 -1.26 -4.90 115.64 108.00 1vgh s THR 32 Ca 0.34 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.76 1vgh s THR 32 Cb -0.11 -3.31 0.13 0.00 1.34 0.00 0.00 72.50 70.55 1vgh s THR 32 CO 0.23 -0.12 1.81 0.44 -0.54 0.00 0.00 174.62 176.44 1vgh h ASP 33 N 0.82 0.54 -0.51 3.99 5.19 -1.95 -1.16 116.42 123.35 1vgh h ASP 33 Ca -0.44 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.02 1vgh h ASP 33 Cb 1.26 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.66 1vgh h ASP 33 CO 0.51 0.36 0.30 0.28 -3.12 0.00 0.00 179.24 177.56 1vgh h SER 34 N 0.67 0.47 -0.61 6.45 0.02 -1.95 -0.37 113.55 118.24 1vgh h SER 34 Ca 0.29 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1vgh h SER 34 Cb 0.16 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1vgh h SER 34 CO -0.17 0.33 0.27 -0.09 -1.14 0.00 0.00 176.83 176.04 1vgh h ARG 35 N 0.59 0.89 -0.17 3.45 2.43 -1.84 -0.04 114.38 119.69 1vgh h ARG 35 Ca 0.21 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1vgh h ARG 35 Cb 0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1vgh h ARG 35 CO -0.10 0.73 0.07 0.00 -1.51 0.00 0.00 179.97 179.17 1vgh h LYS 37 N 0.13 0.38 0.00 0.00 1.57 -0.43 0.79 116.57 119.01 1vgh h LYS 37 Ca 0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1vgh h LYS 37 Cb 0.15 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1vgh h LYS 37 CO -0.01 0.41 -0.02 0.00 -0.57 0.00 0.00 179.45 179.26 1vgh h ALA 38 N 1.64 1.58 -0.56 3.86 0.00 -0.89 -0.56 119.26 124.33 1vgh h ALA 38 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vgh h ALA 38 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vgh h ALA 38 CO 0.00 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1vgh n ARG 39 N -3.95 3.39 -3.44 0.00 1.74 -0.17 -4.98 116.66 109.25 1vgh n ARG 39 Ca -0.03 -2.72 -0.17 0.00 -0.77 0.00 0.00 57.85 54.16 1vgh n ARG 39 Cb 0.11 -1.75 0.09 0.00 -1.02 0.00 0.00 32.46 29.89 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 0.88 -6.63 -4.26 5.56 3.00 -0.22 -5.03 117.38 110.69 1vgh n GLN 40 Ca 0.23 0.84 -0.17 0.00 -0.01 0.00 0.00 57.00 57.89 1vgh n GLN 40 Cb 0.78 -5.85 -0.09 0.00 0.00 0.00 0.00 30.24 25.09 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 -6.40 1.58 0.08 1.08 1.43 0.09 -4.70 118.68 111.85 1vgh s LEU 41 Ca 0.02 -1.66 0.07 0.00 -1.03 0.00 0.00 54.13 51.53 1vgh s LEU 41 Cb -0.01 0.52 -0.03 0.00 0.03 0.00 0.00 46.19 46.70 1vgh s LEU 41 CO 0.73 -1.00 -0.18 -1.61 0.23 0.00 0.00 176.35 174.52 1vgh s GLU 42 N -3.64 1.03 0.08 1.70 2.02 -0.29 -2.00 118.70 117.60 1vgh s GLU 42 Ca 0.40 -1.05 -0.23 0.00 0.02 0.00 0.00 54.97 54.11 1vgh s GLU 42 Cb 0.04 -1.18 -0.06 0.00 0.10 0.00 0.00 34.13 33.02 1vgh s GLU 42 CO 0.23 0.28 0.71 -1.17 0.02 0.00 0.00 175.26 175.33 1vgh s LEU 43 N -1.74 4.50 -0.45 1.80 2.96 -1.26 -0.61 118.68 123.88 1vgh s LEU 43 Ca 0.03 1.43 -0.22 0.00 -0.22 0.00 0.00 54.13 55.15 1vgh s LEU 43 Cb -0.10 -3.14 0.03 0.00 0.50 0.00 0.00 46.19 43.47 1vgh s LEU 43 CO 0.03 0.13 0.74 0.21 -1.32 0.00 0.00 176.35 176.14 1vgh s ASN 44 N -0.55 6.38 -0.34 3.68 3.84 -0.27 -4.95 114.94 122.73 1vgh s ASN 44 Ca 0.35 -0.19 -0.04 0.00 0.21 0.00 0.00 52.86 53.19 1vgh s ASN 44 Cb -0.21 -2.36 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1vgh s ASN 44 CO 0.22 -0.87 2.89 1.21 -2.79 0.00 0.00 177.10 177.76 1vgh n GLU 45 N 6.57 2.25 0.01 0.43 4.07 -1.26 -0.35 120.64 132.37 1vgh n GLU 45 Ca 0.01 -1.97 0.00 0.00 -0.06 0.00 0.00 57.16 55.14 1vgh n GLU 45 Cb 0.48 -2.06 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 1vgh n GLU 45 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1vgh n ARG 46 N 1.19 0.00 -0.00 5.31 5.12 -1.26 -4.86 116.66 122.16 1vgh n ARG 46 Ca 0.46 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.43 1vgh n ARG 46 Cb 0.63 -0.36 -0.06 0.00 -1.16 0.00 0.00 32.46 31.51 1vgh n ARG 46 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1vgh n THR 47 N -2.98 0.00 -3.36 0.55 5.66 -1.23 -4.76 114.28 108.17 1vgh n THR 47 Ca 0.00 -0.25 -0.17 0.00 -3.05 0.00 0.00 64.05 60.58 1vgh n THR 47 Cb 0.30 0.97 0.07 0.00 -1.55 0.00 0.00 70.33 70.12 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 -4.91 1.66 0.18 0.00 1.81 -1.24 -4.76 118.95 111.69 1vgh s ARG 49 Ca 0.26 -1.51 -0.15 0.00 -1.72 0.00 0.00 55.73 52.61 1vgh s ARG 49 Cb -0.04 -1.90 -0.07 0.00 -0.45 0.00 0.00 34.95 32.49 1vgh s ARG 49 CO 0.75 0.40 0.60 0.00 -0.68 0.00 0.00 175.30 176.36 1vgh s ASP 51 N -1.78 0.35 0.47 0.00 1.47 0.22 -4.93 116.67 112.47 1vgh s ASP 51 Ca 0.41 -1.13 -0.24 0.00 1.18 0.00 0.00 52.55 52.76 1vgh s ASP 51 Cb -0.15 0.27 -0.07 0.00 -0.34 0.00 0.00 42.92 42.63 1vgh s ASP 51 CO 0.20 -0.69 1.40 -0.54 0.68 0.00 0.00 175.17 176.21 1vgh s LYS 52 N -4.01 3.55 -1.42 2.11 3.01 -1.26 -1.13 119.74 120.59 1vgh s LYS 52 Ca 0.19 2.35 -0.13 0.00 -1.01 0.00 0.00 55.97 57.37 1vgh s LYS 52 Cb 0.08 -2.55 -0.02 0.00 -1.01 0.00 0.00 37.83 34.32 1vgh s LYS 52 CO -0.02 -0.90 2.42 -0.35 0.51 0.00 0.00 175.35 177.01 1vgh n PRO 53 N -0.41 2.95 -2.70 -1.68 -0.04 -1.26 -4.67 135.00 127.19 1vgh n PRO 53 Ca 0.06 -2.35 -0.43 0.00 -0.04 0.00 0.00 63.50 60.75 1vgh n PRO 53 Cb 0.43 -3.06 -0.01 0.00 -0.04 0.00 0.00 33.50 30.81 1vgh n PRO 53 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1vgh s ARG 54 N 3.06 3.82 0.00 0.54 3.00 -1.26 -5.07 118.95 123.04 1vgh s ARG 54 Ca 0.55 -1.80 0.31 0.00 -1.00 0.00 0.00 55.73 53.78 1vgh s ARG 54 Cb 0.15 -5.29 1.83 0.00 0.00 0.00 0.00 34.95 31.65 1vgh s ARG 54 CO -0.06 -2.07 2.16 0.54 0.00 0.00 0.00 175.30 175.87