#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 0.92 -2.89 0.00 1.74 -1.26 -4.75 116.66 110.42 1vgh n ARG 2 Ca 0.00 -3.13 -0.06 0.00 -0.77 0.00 0.00 57.85 53.88 1vgh n ARG 2 Cb 0.00 0.92 0.01 0.00 -1.02 0.00 0.00 32.46 32.37 1vgh n ARG 2 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vgh n GLN 3 N -1.05 -2.18 -2.93 5.56 6.02 -1.26 -4.27 117.38 117.27 1vgh n GLN 3 Ca -0.17 2.01 -0.12 0.00 -0.01 0.00 0.00 57.00 58.71 1vgh n GLN 3 Cb 0.54 -5.70 0.06 0.00 1.02 0.00 0.00 30.24 26.16 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 -0.58 -1.93 -3.27 -1.09 -0.58 -1.26 -5.01 120.64 106.91 1vgh n GLU 4 Ca 0.10 0.70 -0.42 0.00 -0.42 0.00 0.00 57.16 57.12 1vgh n GLU 4 Cb 0.47 -5.02 -0.08 0.00 -0.57 0.00 0.00 31.44 26.23 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 -3.34 6.24 -0.01 1.62 2.47 -1.26 -4.80 114.94 115.86 1vgh s ASN 5 Ca 0.36 -0.44 0.02 0.00 0.42 0.00 0.00 52.86 53.22 1vgh s ASN 5 Cb -0.05 -2.25 0.08 0.00 -1.45 0.00 0.00 41.25 37.59 1vgh s ASN 5 CO 0.60 -0.58 0.83 -0.81 -3.72 0.00 0.00 177.10 173.42 1vgh n PRO 6 N 5.74 1.33 -1.88 0.43 -0.04 -1.26 -4.84 135.00 134.48 1vgh n PRO 6 Ca -0.06 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1vgh n PRO 6 Cb 0.48 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.22 4.30 3.66 0.00 0.00 -1.26 -5.13 105.19 107.98 1vgh n GLY 8 Ca 0.00 -1.53 -0.46 0.00 0.00 0.00 0.00 46.02 44.03 1vgh n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vgh n PRO 9 N 0.00 2.05 0.21 1.61 -0.02 -1.26 -4.90 135.00 132.69 1vgh n PRO 9 Ca 0.00 0.74 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 1vgh n PRO 9 Cb 0.00 -2.48 0.45 0.00 -0.02 0.00 0.00 33.50 31.44 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 -3.88 0.06 0.00 0.00 3.41 -1.26 -4.92 113.62 107.03 1vgh n SER 11 Ca -0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1vgh n SER 11 Cb 0.38 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.57 0.00 0.00 4.33 -0.58 -0.50 -4.72 120.64 117.60 1vgh n GLU 12 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1vgh n GLU 12 Cb 0.20 -0.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 1vgh n GLU 12 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1vgh n ARG 13 N 0.00 0.00 -3.15 3.49 3.00 -1.26 -4.82 116.66 113.92 1vgh n ARG 13 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.88 1vgh n ARG 13 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 32.46 32.24 1vgh n ARG 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1vgh s ARG 14 N 0.00 0.41 0.81 5.56 6.06 -1.26 -4.88 118.95 125.66 1vgh s ARG 14 Ca 0.00 0.39 -0.11 0.00 -2.50 0.00 0.00 55.73 53.51 1vgh s ARG 14 Cb 0.00 0.18 0.09 0.00 0.06 0.00 0.00 34.95 35.28 1vgh s ARG 14 CO 0.00 -0.77 1.13 -1.59 -2.50 0.00 0.00 175.30 171.58 1vgh s LYS 15 N 2.86 1.78 0.06 5.12 0.00 -1.26 -4.97 119.74 123.33 1vgh s LYS 15 Ca 0.17 1.43 0.00 0.00 0.00 0.00 0.00 55.97 57.57 1vgh s LYS 15 Cb -0.07 -1.82 0.00 0.00 0.00 0.00 0.00 37.83 35.94 1vgh s LYS 15 CO -0.25 -2.04 0.00 0.72 0.00 0.00 0.00 175.35 173.78 1vgh n HIS 16 N -3.60 -1.15 0.22 1.78 8.25 -1.26 -4.87 115.22 114.60 1vgh n HIS 16 Ca 0.11 0.13 0.07 0.00 -0.26 0.00 0.00 57.72 57.77 1vgh n HIS 16 Cb 0.52 0.68 0.52 0.00 1.12 0.00 0.00 29.99 32.84 1vgh n HIS 16 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1vgh h LEU 17 N 0.00 0.00 -9.56 2.41 -0.00 -1.91 -3.43 115.31 102.83 1vgh h LEU 17 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 1vgh h LEU 17 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 1vgh h LEU 17 CO 0.00 0.24 -0.06 -0.36 -0.00 0.00 0.00 178.44 178.26 1vgh s PHE 18 N -4.19 3.70 -0.14 1.13 0.40 -1.26 -1.71 117.98 115.90 1vgh s PHE 18 Ca -0.03 1.16 -0.05 0.00 -0.60 0.00 0.00 56.93 57.41 1vgh s PHE 18 Cb 0.14 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1vgh s PHE 18 CO 0.66 0.42 0.03 0.14 0.70 0.00 0.00 175.22 177.17 1vgh s VAL 19 N -0.40 4.54 -0.03 -0.44 -7.23 -0.24 -4.92 120.40 111.68 1vgh s VAL 19 Ca 0.29 -0.14 0.06 0.00 -1.81 0.00 0.00 61.98 60.39 1vgh s VAL 19 Cb -0.18 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 1vgh s VAL 19 CO 0.16 0.52 -0.22 -1.58 -0.31 0.00 0.00 175.10 173.67 1vgh s GLN 20 N -0.10 2.26 -0.14 4.82 0.74 -1.26 -1.49 119.66 124.48 1vgh s GLN 20 Ca 0.05 -0.85 -0.22 0.00 0.05 0.00 0.00 55.36 54.40 1vgh s GLN 20 Cb -0.12 -2.16 -0.03 0.00 1.10 0.00 0.00 33.01 31.80 1vgh s GLN 20 CO 0.02 0.58 0.67 0.34 -0.55 0.00 0.00 175.29 176.34 1vgh s ASP 21 N -0.64 6.82 0.25 6.67 -1.08 -0.54 -2.09 116.67 126.06 1vgh s ASP 21 Ca 0.10 1.00 0.25 0.00 -0.52 0.00 0.00 52.55 53.38 1vgh s ASP 21 Cb -0.10 -2.38 0.91 0.00 -1.46 0.00 0.00 42.92 39.88 1vgh s ASP 21 CO -0.00 -0.22 1.75 -0.81 0.52 0.00 0.00 175.17 176.41 1vgh n PRO 22 N 4.55 0.24 -0.08 4.34 -0.04 -1.26 -0.86 135.00 141.89 1vgh n PRO 22 Ca -0.01 0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 1vgh n PRO 22 Cb 0.50 -1.86 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 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 0.05 0.00 0.54 4.20 -1.94 -3.39 115.11 114.57 1vgh h GLN 23 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1vgh h GLN 23 Cb 0.55 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1vgh h GLN 23 CO 0.00 1.04 -1.28 0.25 -0.67 0.00 0.00 178.83 178.18 1vgh n THR 24 N -4.28 0.01 -2.55 -0.54 -2.24 -1.24 -4.99 114.28 98.45 1vgh n THR 24 Ca -0.31 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.11 1vgh n THR 24 Cb 0.74 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 -5.17 4.16 -0.12 0.00 2.47 -1.24 -4.85 119.74 115.00 1vgh s LYS 26 Ca 0.09 0.63 -0.09 0.00 -1.56 0.00 0.00 55.97 55.04 1vgh s LYS 26 Cb -0.04 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 1vgh s LYS 26 CO 0.11 -0.36 0.18 0.00 0.16 0.00 0.00 175.35 175.44 1vgh s SER 28 N -0.79 0.01 -0.13 0.00 0.01 -0.56 -4.98 113.70 107.26 1vgh s SER 28 Ca 0.15 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.14 1vgh s SER 28 Cb -0.12 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 1vgh s SER 28 CO 0.04 -0.03 1.23 0.00 0.41 0.00 0.00 173.24 174.90 1vgh h LYS 30 N 7.92 1.15 -6.21 0.00 3.64 -1.69 -3.41 116.57 117.97 1vgh h LYS 30 Ca -0.29 -0.25 -0.56 0.00 -1.27 0.00 0.00 60.65 58.28 1vgh h LYS 30 Cb 1.12 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1vgh h LYS 30 CO 0.94 0.98 0.92 1.21 -2.27 0.00 0.00 179.45 181.23 1vgh s ASN 31 N -6.43 6.88 0.30 4.20 2.47 -1.26 -5.02 114.94 116.08 1vgh s ASN 31 Ca -0.12 1.86 0.10 0.00 0.42 0.00 0.00 52.86 55.11 1vgh s ASN 31 Cb 0.15 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.36 1vgh s ASN 31 CO 0.84 -0.78 -0.01 0.42 -3.72 0.00 0.00 177.10 173.86 1vgh s THR 32 N 3.42 3.00 0.47 -5.21 -4.23 -1.26 -4.96 115.64 106.87 1vgh s THR 32 Ca 0.60 -1.97 0.19 0.00 -1.18 0.00 0.00 61.69 59.32 1vgh s THR 32 Cb -0.25 -2.77 0.36 0.00 1.34 0.00 0.00 72.50 71.18 1vgh s THR 32 CO 0.19 -0.30 1.97 -2.24 -0.54 0.00 0.00 174.62 173.71 1vgh h ASP 33 N 1.87 0.22 -0.18 3.99 2.03 -1.95 -2.24 116.42 120.16 1vgh h ASP 33 Ca -0.43 0.01 0.02 0.00 -0.73 0.00 0.00 57.03 55.90 1vgh h ASP 33 Cb 1.25 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.69 1vgh h ASP 33 CO 0.63 0.12 0.04 0.28 -1.03 0.00 0.00 179.24 179.28 1vgh h SER 34 N 0.24 0.03 -0.09 4.15 0.02 -1.96 0.82 113.55 116.76 1vgh h SER 34 Ca 0.29 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1vgh h SER 34 Cb 0.81 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 1vgh h SER 34 CO -0.06 0.04 0.05 0.03 -1.14 0.00 0.00 176.83 175.76 1vgh h ARG 35 N 0.12 0.12 -0.39 3.45 3.08 -1.82 -1.47 114.38 117.47 1vgh h ARG 35 Ca 0.08 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1vgh h ARG 35 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1vgh h ARG 35 CO -0.10 0.14 0.24 0.00 -1.07 0.00 0.00 179.97 179.18 1vgh h LYS 37 N 0.49 1.20 0.00 0.00 3.64 -0.47 0.18 116.57 121.61 1vgh h LYS 37 Ca 0.15 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1vgh h LYS 37 Cb -0.02 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1vgh h LYS 37 CO -0.06 0.92 -0.03 0.00 -2.27 0.00 0.00 179.45 178.02 1vgh h ALA 38 N 1.24 1.32 -0.49 5.00 0.00 -0.98 -0.83 119.26 124.52 1vgh h ALA 38 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1vgh h ALA 38 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vgh h ALA 38 CO -0.03 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1vgh n ARG 39 N -3.57 2.52 -3.43 0.00 1.74 -0.19 -4.97 116.66 108.76 1vgh n ARG 39 Ca -0.03 -2.33 -0.18 0.00 -0.77 0.00 0.00 57.85 54.55 1vgh n ARG 39 Cb 0.12 -1.52 0.09 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.47 -6.70 -3.84 5.56 3.00 -0.32 -5.03 117.38 111.53 1vgh n GLN 40 Ca 0.21 0.84 -0.16 0.00 -0.01 0.00 0.00 57.00 57.87 1vgh n GLN 40 Cb 0.59 -5.83 -0.06 0.00 0.00 0.00 0.00 30.24 24.94 1vgh n GLN 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vgh n LEU 41 N -4.19 0.00 -4.08 1.08 4.77 0.46 -4.86 117.00 110.19 1vgh n LEU 41 Ca -0.25 -2.61 -0.10 0.00 -0.03 0.00 0.00 56.01 53.02 1vgh n LEU 41 Cb 0.66 1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 43.03 1vgh n LEU 41 CO 0.61 -0.44 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.24 1vgh s GLU 42 N -3.11 0.57 -0.03 3.23 0.41 -0.08 -2.40 118.70 117.30 1vgh s GLU 42 Ca 0.33 -0.99 -0.30 0.00 -0.41 0.00 0.00 54.97 53.60 1vgh s GLU 42 Cb 0.02 -0.04 -0.04 0.00 -1.78 0.00 0.00 34.13 32.28 1vgh s GLU 42 CO 0.23 -0.03 1.24 -1.17 -0.49 0.00 0.00 175.26 175.04 1vgh s LEU 43 N -2.27 4.30 -0.71 1.80 2.96 -1.26 -1.11 118.68 122.39 1vgh s LEU 43 Ca -0.02 1.90 -0.21 0.00 -0.22 0.00 0.00 54.13 55.58 1vgh s LEU 43 Cb -0.01 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.20 1vgh s LEU 43 CO -0.04 -0.60 0.97 0.21 -1.32 0.00 0.00 176.35 175.57 1vgh s ASN 44 N 1.50 6.26 0.00 3.68 2.47 -0.18 -4.93 114.94 123.75 1vgh s ASN 44 Ca 0.58 -1.25 0.06 0.00 0.42 0.00 0.00 52.86 52.66 1vgh s ASN 44 Cb -0.27 -2.40 0.27 0.00 -1.45 0.00 0.00 41.25 37.40 1vgh s ASN 44 CO 0.24 -1.33 1.10 -0.62 -3.72 0.00 0.00 177.10 172.77 1vgh n GLU 45 N 7.33 0.04 -0.04 0.43 1.02 -1.26 0.01 120.64 128.18 1vgh n GLU 45 Ca 0.01 0.32 -0.06 0.00 -0.02 0.00 0.00 57.16 57.40 1vgh n GLU 45 Cb 0.46 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 1vgh n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vgh h ARG 46 N 0.00 -0.04 0.00 3.49 3.08 -1.96 -3.37 114.38 115.58 1vgh h ARG 46 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1vgh h ARG 46 Cb 0.08 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1vgh h ARG 46 CO 0.00 0.35 -1.05 1.79 -1.07 0.00 0.00 179.97 180.00 1vgh h THR 47 N -0.99 0.07 -5.80 2.04 1.35 -1.94 -3.49 112.91 104.14 1vgh h THR 47 Ca -0.00 -1.14 -0.36 0.00 -0.55 0.00 0.00 66.41 64.36 1vgh h THR 47 Cb 0.42 1.58 0.13 0.00 -1.73 0.00 0.00 68.15 68.54 1vgh h THR 47 CO 0.01 0.04 -0.80 0.00 -0.25 0.00 0.00 175.52 174.51 1vgh s ARG 49 N -5.52 1.62 -0.17 0.00 0.52 -1.21 -4.74 118.95 109.46 1vgh s ARG 49 Ca 0.05 -1.61 -0.21 0.00 -0.52 0.00 0.00 55.73 53.44 1vgh s ARG 49 Cb -0.01 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 1vgh s ARG 49 CO 0.76 0.37 0.61 0.00 0.02 0.00 0.00 175.30 177.07 1vgh s ASP 51 N 1.06 0.29 0.43 0.00 1.01 -0.27 -4.90 116.67 114.28 1vgh s ASP 51 Ca 0.29 -0.40 -0.25 0.00 0.71 0.00 0.00 52.55 52.90 1vgh s ASP 51 Cb -0.16 0.07 -0.08 0.00 1.01 0.00 0.00 42.92 43.76 1vgh s ASP 51 CO 0.11 -0.22 1.27 -1.59 0.21 0.00 0.00 175.17 174.95 1vgh s LYS 52 N -1.16 3.87 -0.00 8.23 -2.85 -1.26 -0.90 119.74 125.66 1vgh s LYS 52 Ca -0.12 2.06 -0.15 0.00 -1.00 0.00 0.00 55.97 56.77 1vgh s LYS 52 Cb -0.08 -2.64 -0.08 0.00 -2.06 0.00 0.00 37.83 32.97 1vgh s LYS 52 CO -0.01 -0.55 0.80 -1.00 0.10 0.00 0.00 175.35 174.70 1vgh h PRO 53 N 2.46 -0.51 0.00 1.78 0.13 -1.90 -3.46 132.00 130.50 1vgh h PRO 53 Ca -0.50 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1vgh h PRO 53 Cb 1.25 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1vgh h PRO 53 CO 0.62 -0.34 0.00 -2.13 -0.23 0.00 0.00 178.00 175.91 1vgh n ARG 54 N -4.21 0.00 0.00 0.86 0.63 -1.26 -5.11 116.66 107.57 1vgh n ARG 54 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1vgh n ARG 54 Cb 0.21 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.12 1vgh n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01