#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tgf s VAL 2 N 0.00 3.71 -0.98 3.34 1.01 -1.26 -4.82 120.40 121.40 3tgf s VAL 2 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 3tgf s VAL 2 Cb 0.00 -4.82 -0.11 0.00 0.00 0.00 0.00 36.38 31.45 3tgf s VAL 2 CO 0.00 -1.76 2.07 -0.94 0.00 0.00 0.00 175.10 174.48 3tgf s SER 3 N 4.51 4.53 0.01 3.32 1.04 -1.26 -1.31 113.70 124.55 3tgf s SER 3 Ca 0.41 -0.83 -0.28 0.00 0.48 0.00 0.00 55.95 55.73 3tgf s SER 3 Cb -0.07 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 63.56 3tgf s SER 3 CO 0.11 -3.44 0.74 -2.28 0.98 0.00 0.00 173.24 169.34 3tgf s HIS 4 N 12.60 -0.52 -0.05 5.02 5.65 -1.26 -5.02 115.29 131.70 3tgf s HIS 4 Ca 0.77 0.63 0.05 0.00 0.25 0.00 0.00 55.06 56.76 3tgf s HIS 4 Cb -0.06 0.49 -0.08 0.00 -1.18 0.00 0.00 32.58 31.75 3tgf s HIS 4 CO 0.08 -0.64 0.04 1.97 -0.65 0.00 0.00 174.74 175.54 3tgf n PHE 5 N 0.25 0.00 0.00 3.88 1.16 -1.26 -0.82 117.46 120.68 3tgf n PHE 5 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 3tgf n PHE 5 Cb 0.61 -0.26 0.00 0.00 -1.61 0.00 0.00 39.48 38.21 3tgf n PHE 5 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3tgf n ASN 6 N -2.12 0.00 -3.64 5.98 0.23 -1.26 -0.45 115.26 113.99 3tgf n ASN 6 Ca -0.08 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.93 3tgf n ASN 6 Cb 0.59 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.23 3tgf n ASN 6 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3tgf s ASP 7 N -3.76 -0.27 0.23 0.53 -4.77 -1.26 -4.78 116.67 102.60 3tgf s ASP 7 Ca 0.00 0.48 -0.30 0.00 -3.30 0.00 0.00 52.55 49.44 3tgf s ASP 7 Cb 0.00 0.69 -0.09 0.00 -1.09 0.00 0.00 42.92 42.43 3tgf s ASP 7 CO 0.00 -0.08 1.14 0.00 0.70 0.00 0.00 175.17 176.93 3tgf n PRO 9 N 1.86 -1.93 -0.32 0.00 -0.04 -1.26 -4.69 135.00 128.62 3tgf n PRO 9 Ca 0.02 -1.91 0.10 0.00 -0.04 0.00 0.00 63.50 61.66 3tgf n PRO 9 Cb 0.45 -1.44 0.27 0.00 -0.04 0.00 0.00 33.50 32.74 3tgf n PRO 9 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3tgf h ASP 10 N -2.07 0.64 -0.89 3.54 5.19 -1.98 0.69 116.42 121.55 3tgf h ASP 10 Ca -0.42 0.09 0.22 0.00 -0.62 0.00 0.00 57.03 56.31 3tgf h ASP 10 Cb 1.19 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 40.62 3tgf h ASP 10 CO 0.29 0.25 0.61 0.77 -3.12 0.00 0.00 179.24 178.03 3tgf h SER 11 N 0.69 0.28 0.00 6.45 4.64 -1.97 -0.95 113.55 122.68 3tgf h SER 11 Ca 0.52 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.76 3tgf h SER 11 Cb 0.76 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3tgf h SER 11 CO -0.37 0.10 -1.77 1.41 -0.87 0.00 0.00 176.83 175.33 3tgf n HIS 12 N -4.44 0.00 0.23 4.77 8.25 0.13 -2.17 115.22 121.98 3tgf n HIS 12 Ca 0.19 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.72 3tgf n HIS 12 Cb 0.78 -0.48 0.54 0.00 1.12 0.00 0.00 29.99 31.96 3tgf n HIS 12 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3tgf h THR 13 N 0.00 1.03 0.00 1.59 1.35 -1.16 0.19 112.91 115.91 3tgf h THR 13 Ca -0.16 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3tgf h THR 13 Cb 1.18 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3tgf h THR 13 CO 0.01 0.18 -0.34 0.00 -0.25 0.00 0.00 175.52 175.12 3tgf n GLN 14 N -4.19 0.14 0.23 4.72 3.00 -0.37 -2.61 117.38 118.31 3tgf n GLN 14 Ca -0.02 0.07 -0.10 0.00 -0.01 0.00 0.00 57.00 56.94 3tgf n GLN 14 Cb 0.25 -1.62 -0.05 0.00 0.00 0.00 0.00 30.24 28.83 3tgf n GLN 14 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3tgf h PHE 15 N 0.00 -0.58 -2.47 1.08 3.57 -1.32 -3.43 116.94 113.79 3tgf h PHE 15 Ca 0.00 -0.01 -0.75 0.00 3.53 0.00 0.00 57.97 60.74 3tgf h PHE 15 Cb 0.62 0.19 -0.20 0.00 2.79 0.00 0.00 35.95 39.36 3tgf h PHE 15 CO 0.00 -0.36 1.16 0.00 -2.23 0.00 0.00 178.31 176.87 3tgf h PHE 17 N 7.07 -0.34 -1.50 0.00 0.04 -0.80 -0.63 116.94 120.77 3tgf h PHE 17 Ca 0.29 0.01 -0.61 0.00 2.80 0.00 0.00 57.97 60.46 3tgf h PHE 17 Cb 0.88 0.15 -0.40 0.00 2.20 0.00 0.00 35.95 38.77 3tgf h PHE 17 CO 1.03 -0.20 -0.52 0.72 -0.60 0.00 0.00 178.31 178.74 3tgf n HIS 18 N -5.26 3.31 -3.85 -0.55 8.25 0.61 -4.97 115.22 112.77 3tgf n HIS 18 Ca -0.06 -2.95 -0.27 0.00 -0.26 0.00 0.00 57.72 54.18 3tgf n HIS 18 Cb 0.18 -0.24 -0.17 0.00 1.12 0.00 0.00 29.99 30.89 3tgf n HIS 18 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3tgf s GLY 19 N -3.25 0.84 -1.24 -1.41 0.00 -0.24 -1.01 107.32 101.01 3tgf s GLY 19 Ca 0.49 -0.69 -0.21 0.00 0.00 0.00 0.00 44.72 44.31 3tgf s GLY 19 CO -0.19 1.05 1.84 -0.51 0.00 0.00 0.00 173.10 175.28 3tgf s THR 20 N 1.72 3.81 0.41 0.90 -4.23 0.80 -4.67 115.64 114.38 3tgf s THR 20 Ca 0.01 -1.38 -0.23 0.00 -1.18 0.00 0.00 61.69 58.91 3tgf s THR 20 Cb -0.15 -4.87 -0.10 0.00 1.34 0.00 0.00 72.50 68.73 3tgf s THR 20 CO -0.07 -1.48 1.00 0.00 -0.54 0.00 0.00 174.62 173.52 3tgf s ARG 22 N -2.76 3.10 -1.11 0.00 0.52 0.03 -1.46 118.95 117.28 3tgf s ARG 22 Ca 0.59 -0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 54.82 3tgf s ARG 22 Cb -0.16 -2.59 0.10 0.00 0.52 0.00 0.00 34.95 32.81 3tgf s ARG 22 CO 0.21 -0.09 1.45 0.12 0.02 0.00 0.00 175.30 177.01 3tgf s PHE 23 N 1.03 2.92 -0.94 -0.53 5.36 0.40 -1.58 117.98 124.64 3tgf s PHE 23 Ca -0.01 -1.42 -0.24 0.00 -0.96 0.00 0.00 56.93 54.29 3tgf s PHE 23 Cb -0.15 -4.54 -0.03 0.00 -0.34 0.00 0.00 43.02 37.96 3tgf s PHE 23 CO -0.05 -1.70 1.87 -0.51 -1.46 0.00 0.00 175.22 173.37 3tgf s LEU 24 N 3.60 3.22 0.19 6.12 1.43 0.41 -4.09 118.68 129.56 3tgf s LEU 24 Ca 0.44 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 3tgf s LEU 24 Cb -0.01 -2.56 0.15 0.00 0.03 0.00 0.00 46.19 43.80 3tgf s LEU 24 CO -0.03 -2.56 1.81 0.58 0.23 0.00 0.00 176.35 176.38 3tgf h VAL 25 N 7.12 1.03 -0.07 -1.59 2.07 -1.12 -0.68 116.25 123.01 3tgf h VAL 25 Ca 0.12 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3tgf h VAL 25 Cb 1.00 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3tgf h VAL 25 CO 1.25 0.12 0.17 0.06 0.02 0.00 0.00 177.57 179.19 3tgf h GLN 26 N 0.65 0.00 -0.03 1.57 -0.00 -1.42 0.66 115.11 116.55 3tgf h GLN 26 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 3tgf h GLN 26 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 3tgf h GLN 26 CO -0.12 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.10 3tgf n GLU 27 N -3.31 0.19 -2.39 0.06 4.71 -0.40 -4.84 120.64 114.67 3tgf n GLU 27 Ca -0.01 -0.96 -0.10 0.00 -0.01 0.00 0.00 57.16 56.08 3tgf n GLU 27 Cb 0.25 -1.11 -0.01 0.00 -1.01 0.00 0.00 31.44 29.57 3tgf n GLU 27 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3tgf n ASP 28 N 0.28 -3.33 -4.47 1.62 5.68 0.22 -4.94 116.55 111.61 3tgf n ASP 28 Ca 0.04 0.25 -0.43 0.00 -0.50 0.00 0.00 54.79 54.15 3tgf n ASP 28 Cb 0.17 -2.88 -0.08 0.00 -1.14 0.00 0.00 41.12 37.18 3tgf n ASP 28 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3tgf s LYS 29 N -4.90 3.08 -0.16 0.11 2.47 -0.67 -4.79 119.74 114.87 3tgf s LYS 29 Ca 0.00 -0.85 -0.05 0.00 -1.56 0.00 0.00 55.97 53.51 3tgf s LYS 29 Cb 0.00 -4.00 -0.12 0.00 -1.46 0.00 0.00 37.83 32.25 3tgf s LYS 29 CO 0.00 -0.90 3.16 -0.35 0.16 0.00 0.00 175.35 177.42 3tgf n PRO 30 N 5.59 2.05 -2.75 4.03 -0.04 -1.26 -0.44 135.00 142.18 3tgf n PRO 30 Ca -0.08 -1.39 -0.34 0.00 -0.04 0.00 0.00 63.50 61.65 3tgf n PRO 30 Cb 0.47 -1.95 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3tgf n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3tgf s ALA 31 N -0.08 3.04 0.25 0.55 0.00 -0.62 -4.33 121.76 120.58 3tgf s ALA 31 Ca 0.58 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 3tgf s ALA 31 Cb 0.31 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 3tgf s ALA 31 CO -0.07 0.04 0.83 0.00 0.00 0.00 0.00 175.76 176.56 3tgf s VAL 33 N -1.47 5.11 0.27 0.00 1.01 -0.87 -4.92 120.40 119.54 3tgf s VAL 33 Ca 0.44 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 3tgf s VAL 33 Cb -0.19 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 3tgf s VAL 33 CO 0.24 -0.74 1.52 0.00 0.00 0.00 0.00 175.10 176.12 3tgf n HIS 35 N 2.13 -0.73 -1.46 0.00 8.25 -0.18 -4.82 115.22 118.41 3tgf n HIS 35 Ca 0.10 0.16 -0.48 0.00 -0.26 0.00 0.00 57.72 57.24 3tgf n HIS 35 Cb 0.34 -1.78 -0.07 0.00 1.12 0.00 0.00 29.99 29.60 3tgf n HIS 35 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3tgf n SER 36 N -3.20 1.98 0.00 0.41 3.41 -1.26 -1.10 113.62 113.86 3tgf n SER 36 Ca 0.06 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3tgf n SER 36 Cb 0.55 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 3tgf n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3tgf n GLY 37 N 6.48 0.46 3.74 5.00 0.00 -1.26 -5.04 105.19 114.57 3tgf n GLY 37 Ca 0.43 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 3tgf n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3tgf s TYR 38 N -2.00 3.05 0.35 1.61 1.51 -0.26 -0.26 117.35 121.34 3tgf s TYR 38 Ca 0.00 -0.03 0.09 0.00 -1.01 0.00 0.00 57.07 56.12 3tgf s TYR 38 Cb 0.00 -1.50 -0.06 0.00 -0.11 0.00 0.00 41.96 40.28 3tgf s TYR 38 CO 0.00 0.51 -0.08 0.14 -1.11 0.00 0.00 175.55 175.01 3tgf s VAL 39 N -1.60 2.27 0.00 0.71 -7.23 0.87 -4.69 120.40 110.73 3tgf s VAL 39 Ca 0.29 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3tgf s VAL 39 Cb -0.11 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.15 3tgf s VAL 39 CO 0.21 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 3tgf n GLY 40 N -0.82 2.66 5.00 2.32 0.00 -1.26 -3.49 105.19 109.60 3tgf n GLY 40 Ca -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3tgf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tgf n ALA 41 N -3.00 0.00 0.46 4.61 0.00 -1.26 -2.22 120.51 119.10 3tgf n ALA 41 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3tgf n ALA 41 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3tgf n ALA 41 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3tgf n ARG 42 N 0.00 1.71 -3.65 0.00 0.00 -1.26 -4.61 116.66 108.85 3tgf n ARG 42 Ca 0.00 -0.74 -0.22 0.00 -0.00 0.00 0.00 57.85 56.90 3tgf n ARG 42 Cb 0.00 -1.12 0.01 0.00 -0.00 0.00 0.00 32.46 31.35 3tgf n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3tgf n GLU 44 N -2.82 1.31 -3.91 0.00 4.07 -1.24 -0.28 120.64 117.77 3tgf n GLU 44 Ca -0.21 -2.70 -0.11 0.00 -0.06 0.00 0.00 57.16 54.08 3tgf n GLU 44 Cb 0.63 -1.49 -0.12 0.00 -0.06 0.00 0.00 31.44 30.40 3tgf n GLU 44 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 3tgf s HIS 45 N -2.87 0.10 -0.04 4.31 3.76 -1.23 -5.06 115.29 114.26 3tgf s HIS 45 Ca 0.33 -0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 3tgf s HIS 45 Cb 0.29 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.87 3tgf s HIS 45 CO 0.00 -0.10 0.03 0.00 -0.85 0.00 0.00 174.74 173.83 3tgf s ALA 46 N -0.66 3.41 -1.12 -1.40 0.00 -1.26 -0.09 121.76 120.63 3tgf s ALA 46 Ca -0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 3tgf s ALA 46 Cb -0.05 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 3tgf s ALA 46 CO -0.00 0.64 1.81 0.34 0.00 0.00 0.00 175.76 178.54 3tgf s ASP 47 N -1.33 5.73 -1.15 0.00 -1.08 0.64 -4.71 116.67 114.77 3tgf s ASP 47 Ca 0.18 -1.60 -0.20 0.00 -0.52 0.00 0.00 52.55 50.41 3tgf s ASP 47 Cb -0.12 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.71 3tgf s ASP 47 CO 0.08 -2.29 1.92 0.18 0.52 0.00 0.00 175.17 175.58 3tgf n LEU 48 N 11.95 4.20 0.11 -1.34 4.77 -1.26 -2.79 117.00 132.64 3tgf n LEU 48 Ca 0.43 -3.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 3tgf n LEU 48 Cb 0.47 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3tgf n LEU 48 CO 0.68 -0.67 0.00 -0.11 -1.33 0.00 0.00 177.39 175.96 3tgf n LEU 49 N 10.36 -2.06 0.00 2.23 -0.00 -1.26 -5.26 117.00 121.01 3tgf n LEU 49 Ca 0.48 0.71 0.03 0.00 -0.00 0.00 0.00 56.01 57.23 3tgf n LEU 49 Cb 0.44 2.17 0.19 0.00 -0.00 0.00 0.00 43.42 46.22 3tgf n LEU 49 CO 0.81 0.16 0.42 0.00 -0.00 0.00 0.00 177.39 178.79