#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tgf n VAL 2 N 0.00-13.02 -0.31 1.55 0.31 -1.04 -1.49 118.33 104.34 3tgf n VAL 2 Ca 0.00 3.04 -0.07 0.00 -0.01 0.00 0.00 64.34 67.30 3tgf n VAL 2 Cb 0.00 -6.02 -0.03 0.00 -0.91 0.00 0.00 33.84 26.88 3tgf n VAL 2 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3tgf h SER 3 N 4.09 -1.65 -1.01 4.52 4.64 -1.97 0.17 113.55 122.33 3tgf h SER 3 Ca -0.03 0.29 0.24 0.00 -0.47 0.00 0.00 61.79 61.81 3tgf h SER 3 Cb 0.06 0.77 -0.12 0.00 -0.31 0.00 0.00 62.40 62.81 3tgf h SER 3 CO 0.00 -0.30 0.61 -0.74 -0.87 0.00 0.00 176.83 175.54 3tgf h HIS 4 N -0.10 0.97 0.00 4.77 -0.00 -1.99 -3.20 115.15 115.60 3tgf h HIS 4 Ca 0.23 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 3tgf h HIS 4 Cb 0.54 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 3tgf h HIS 4 CO -0.84 0.10 -0.03 0.35 -0.00 0.00 0.00 177.93 177.51 3tgf h PHE 5 N 0.59 0.00 -3.99 5.26 3.57 -0.97 -3.16 116.94 118.25 3tgf h PHE 5 Ca 0.62 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.91 3tgf h PHE 5 Cb 1.19 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 39.75 3tgf h PHE 5 CO -0.01 0.00 -0.71 1.21 -2.23 0.00 0.00 178.31 176.58 3tgf s ASN 6 N -3.56 0.69 -0.33 0.41 3.84 -0.41 -0.89 114.94 114.69 3tgf s ASN 6 Ca -0.01 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.34 3tgf s ASN 6 Cb 0.00 0.10 0.19 0.00 -0.55 0.00 0.00 41.25 40.99 3tgf s ASN 6 CO 0.01 -0.36 0.78 -1.81 -2.79 0.00 0.00 177.10 172.93 3tgf s ASP 7 N -2.12 -1.11 -0.04 -4.21 1.01 -1.26 -1.88 116.67 107.05 3tgf s ASP 7 Ca -0.04 -0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.09 3tgf s ASP 7 Cb -0.03 1.57 -0.03 0.00 1.01 0.00 0.00 42.92 45.44 3tgf s ASP 7 CO -0.03 -0.17 -0.13 0.00 0.21 0.00 0.00 175.17 175.05 3tgf n PRO 9 N 2.21 -2.90 0.00 0.00 -0.02 -1.26 -4.93 135.00 128.10 3tgf n PRO 9 Ca -0.17 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.48 3tgf n PRO 9 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3tgf n PRO 9 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3tgf n ASP 10 N -4.37 0.83 -4.56 2.55 8.00 -1.26 -4.35 116.55 113.40 3tgf n ASP 10 Ca 0.04 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 3tgf n ASP 10 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 3tgf n ASP 10 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3tgf s SER 11 N -4.64 4.94 -0.12 -2.24 1.04 -1.26 -2.84 113.70 108.57 3tgf s SER 11 Ca 0.00 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.20 3tgf s SER 11 Cb 0.00 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.60 3tgf s SER 11 CO 0.00 -2.82 0.14 1.57 0.98 0.00 0.00 173.24 173.11 3tgf n HIS 12 N 14.49 -2.76 -1.02 5.02 -0.00 -0.74 -4.88 115.22 125.33 3tgf n HIS 12 Ca 0.36 1.58 -0.14 0.00 -0.00 0.00 0.00 57.72 59.51 3tgf n HIS 12 Cb 0.48 -2.82 -0.09 0.00 -0.00 0.00 0.00 29.99 27.57 3tgf n HIS 12 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 3tgf n THR 13 N 1.94 2.88 0.00 3.57 5.66 0.86 -4.77 114.28 124.41 3tgf n THR 13 Ca -0.24 -1.70 0.00 0.00 -3.05 0.00 0.00 64.05 59.05 3tgf n THR 13 Cb 0.39 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.44 3tgf n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3tgf n GLN 14 N 1.68 0.00 -0.10 1.09 6.02 -1.26 -3.90 117.38 120.91 3tgf n GLN 14 Ca 0.35 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 57.16 3tgf n GLN 14 Cb 0.72 -0.12 -0.09 0.00 1.02 0.00 0.00 30.24 31.76 3tgf n GLN 14 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3tgf n PHE 15 N 0.00 0.92 -4.45 1.08 7.35 -1.26 -5.03 117.46 116.07 3tgf n PHE 15 Ca 0.00 0.40 -0.30 0.00 -0.76 0.00 0.00 57.45 56.79 3tgf n PHE 15 Cb 0.00 -1.02 -0.12 0.00 0.35 0.00 0.00 39.48 38.69 3tgf n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3tgf h PHE 17 N 4.03 -1.01 -2.31 0.00 0.04 -1.36 0.24 116.94 116.57 3tgf h PHE 17 Ca -0.49 -0.02 -0.64 0.00 2.80 0.00 0.00 57.97 59.61 3tgf h PHE 17 Cb 1.16 0.34 -0.39 0.00 2.20 0.00 0.00 35.95 39.26 3tgf h PHE 17 CO 0.58 -0.62 -0.25 0.72 -0.60 0.00 0.00 178.31 178.13 3tgf n HIS 18 N -5.51 3.61 -4.47 -0.55 8.25 0.49 -1.79 115.22 115.26 3tgf n HIS 18 Ca -0.14 -3.70 -0.23 0.00 -0.26 0.00 0.00 57.72 53.39 3tgf n HIS 18 Cb 0.44 -0.68 -0.10 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.75 1.96 -0.39 -1.41 0.00 -1.24 -1.29 107.32 102.19 3tgf s GLY 19 Ca 0.44 -1.97 0.02 0.00 0.00 0.00 0.00 44.72 43.21 3tgf s GLY 19 CO -0.08 -1.91 0.15 -0.51 0.00 0.00 0.00 173.10 170.75 3tgf s THR 20 N -2.87 1.79 0.13 0.90 -4.23 0.14 -4.53 115.64 106.96 3tgf s THR 20 Ca 0.31 -2.37 -0.20 0.00 -1.18 0.00 0.00 61.69 58.25 3tgf s THR 20 Cb 0.03 -2.29 -0.07 0.00 1.34 0.00 0.00 72.50 71.51 3tgf s THR 20 CO 0.14 -0.73 0.63 0.00 -0.54 0.00 0.00 174.62 174.11 3tgf s ARG 22 N -1.39 4.00 -0.90 0.00 3.00 0.66 -4.53 118.95 119.78 3tgf s ARG 22 Ca 0.34 -2.26 -0.25 0.00 0.00 0.00 0.00 55.73 53.56 3tgf s ARG 22 Cb -0.19 -5.23 -0.05 0.00 0.00 0.00 0.00 34.95 29.48 3tgf s ARG 22 CO 0.21 -1.95 1.96 0.12 0.00 0.00 0.00 175.30 175.63 3tgf s PHE 23 N 2.71 1.79 -0.88 -0.53 5.36 -1.26 -1.35 117.98 123.82 3tgf s PHE 23 Ca 0.46 0.66 -0.25 0.00 -0.96 0.00 0.00 56.93 56.84 3tgf s PHE 23 Cb -0.01 -4.03 -0.11 0.00 -0.34 0.00 0.00 43.02 38.54 3tgf s PHE 23 CO 0.02 -1.74 2.19 -0.51 -1.46 0.00 0.00 175.22 173.72 3tgf s LEU 24 N 10.21 2.93 0.15 6.12 1.43 0.35 -3.92 118.68 135.95 3tgf s LEU 24 Ca 0.71 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 3tgf s LEU 24 Cb -0.07 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.63 3tgf s LEU 24 CO -0.00 -3.52 1.72 0.58 0.23 0.00 0.00 176.35 175.35 3tgf h VAL 25 N 7.36 0.81 0.00 -1.59 2.07 -1.17 -0.19 116.25 123.53 3tgf h VAL 25 Ca 0.05 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3tgf h VAL 25 Cb 1.00 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3tgf h VAL 25 CO 1.09 0.02 -0.00 0.06 0.02 0.00 0.00 177.57 178.76 3tgf h GLN 26 N 0.11 0.00 0.00 1.57 -0.00 -1.78 -0.30 115.11 114.72 3tgf h GLN 26 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 3tgf h GLN 26 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 3tgf h GLN 26 CO -0.22 0.00 -1.00 0.39 -0.00 0.00 0.00 178.83 178.00 3tgf n GLU 27 N -4.04 0.34 -3.01 0.06 1.02 -0.89 -5.00 120.64 109.12 3tgf n GLU 27 Ca -0.03 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.91 3tgf n GLU 27 Cb 0.09 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 29.89 3tgf n GLU 27 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3tgf n ASP 28 N -2.09 -5.08 -4.10 1.62 5.68 -0.12 -5.00 116.55 107.45 3tgf n ASP 28 Ca 0.02 -0.24 -0.33 0.00 -0.50 0.00 0.00 54.79 53.74 3tgf n ASP 28 Cb 0.46 -4.16 -0.15 0.00 -1.14 0.00 0.00 41.12 36.13 3tgf n ASP 28 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3tgf s LYS 29 N -5.67 2.30 -0.11 0.11 1.02 -0.77 -4.97 119.74 111.65 3tgf s LYS 29 Ca 0.27 -1.32 -0.22 0.00 0.02 0.00 0.00 55.97 54.72 3tgf s LYS 29 Cb -0.13 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 3tgf s LYS 29 CO 0.34 -0.59 0.64 -1.25 -0.92 0.00 0.00 175.35 173.57 3tgf s PRO 30 N 1.15 4.37 0.01 -1.68 0.04 -1.26 -0.49 135.00 137.13 3tgf s PRO 30 Ca -0.08 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.70 3tgf s PRO 30 Cb -0.20 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 3tgf s PRO 30 CO -0.04 0.01 -0.02 0.00 0.04 0.00 0.00 177.00 176.99 3tgf s ALA 31 N 1.03 0.10 -0.00 8.56 0.00 -0.46 -4.69 121.76 126.29 3tgf s ALA 31 Ca 0.33 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.99 3tgf s ALA 31 Cb -0.17 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3tgf s ALA 31 CO 0.15 -0.08 -0.10 0.00 0.00 0.00 0.00 175.76 175.72 3tgf s VAL 33 N -0.92 4.82 0.36 0.00 1.01 0.29 -4.89 120.40 121.07 3tgf s VAL 33 Ca 0.15 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 3tgf s VAL 33 Cb -0.11 -4.43 -0.12 0.00 0.00 0.00 0.00 36.38 31.72 3tgf s VAL 33 CO 0.05 -1.03 1.36 0.00 0.00 0.00 0.00 175.10 175.49 3tgf n HIS 35 N 0.34 -0.29 -1.49 0.00 8.25 -0.41 -4.82 115.22 116.80 3tgf n HIS 35 Ca 0.03 0.30 -0.46 0.00 -0.26 0.00 0.00 57.72 57.33 3tgf n HIS 35 Cb 0.37 -1.88 -0.06 0.00 1.12 0.00 0.00 29.99 29.53 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 -2.94 2.21 0.00 0.41 3.41 -1.26 -0.92 113.62 114.53 3tgf n SER 36 Ca 0.09 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3tgf n SER 36 Cb 0.53 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 6.34 0.45 3.47 5.00 0.00 -1.26 -5.03 105.19 114.15 3tgf n GLY 37 Ca 0.41 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 2.44 0.34 1.61 1.51 -0.10 -0.38 117.35 120.78 3tgf s TYR 38 Ca 0.00 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3tgf s TYR 38 Cb 0.00 -1.23 -0.07 0.00 -0.11 0.00 0.00 41.96 40.55 3tgf s TYR 38 CO 0.00 0.47 -0.07 0.14 -1.11 0.00 0.00 175.55 174.98 3tgf s VAL 39 N -1.52 2.07 0.00 0.71 -7.23 0.15 -4.65 120.40 109.93 3tgf s VAL 39 Ca 0.21 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3tgf s VAL 39 Cb -0.09 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.17 3tgf s VAL 39 CO 0.11 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 3tgf n GLY 40 N -0.79 3.71 5.00 2.32 0.00 -1.26 -2.50 105.19 111.68 3tgf n GLY 40 Ca -0.05 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.48 4.61 0.00 -1.26 -2.90 120.51 116.48 3tgf n ALA 41 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3tgf n ALA 41 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 3tgf n ALA 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3tgf n ARG 42 N 0.00 1.84 -3.48 0.00 0.63 -1.26 -4.88 116.66 109.51 3tgf n ARG 42 Ca 0.00 -3.23 -0.07 0.00 -0.92 0.00 0.00 57.85 53.63 3tgf n ARG 42 Cb 0.00 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.09 3tgf n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3tgf n GLU 44 N -1.43 0.64 -4.49 0.00 4.71 -1.15 -0.38 120.64 118.54 3tgf n GLU 44 Ca -0.03 0.14 -0.30 0.00 -0.01 0.00 0.00 57.16 56.96 3tgf n GLU 44 Cb 0.10 -1.72 -0.12 0.00 -1.01 0.00 0.00 31.44 28.70 3tgf n GLU 44 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3tgf s HIS 45 N -2.86 2.61 0.48 -0.32 3.76 -1.04 -4.91 115.29 113.00 3tgf s HIS 45 Ca -0.05 -0.22 -0.19 0.00 -0.15 0.00 0.00 55.06 54.45 3tgf s HIS 45 Cb 0.09 -1.44 -0.09 0.00 1.11 0.00 0.00 32.58 32.24 3tgf s HIS 45 CO 0.83 0.32 0.99 0.00 -0.85 0.00 0.00 174.74 176.02 3tgf s ALA 46 N -1.03 2.99 -0.50 -1.40 0.00 -0.44 0.33 121.76 121.71 3tgf s ALA 46 Ca 0.17 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 3tgf s ALA 46 Cb -0.11 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 3tgf s ALA 46 CO 0.08 -0.15 2.43 -3.47 0.00 0.00 0.00 175.76 174.65 3tgf n ASP 47 N -1.12 2.26 0.00 0.00 -0.08 0.49 -2.81 116.55 115.29 3tgf n ASP 47 Ca 0.07 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 3tgf n ASP 47 Cb 0.54 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.44 3tgf n ASP 47 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3tgf n LEU 48 N 15.64 0.00 -2.69 -2.67 7.94 -1.26 -4.65 117.00 129.31 3tgf n LEU 48 Ca 0.38 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 55.01 3tgf n LEU 48 Cb 0.52 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.39 3tgf n LEU 48 CO 0.72 0.00 2.28 0.18 -1.11 0.00 0.00 177.39 179.46 3tgf n LEU 49 N 0.00 6.93 0.00 -1.96 4.32 -1.23 -5.20 117.00 119.86 3tgf n LEU 49 Ca 0.00 -3.93 0.00 0.00 -0.02 0.00 0.00 56.01 52.06 3tgf n LEU 49 Cb 0.00 -1.43 0.00 0.00 -1.62 0.00 0.00 43.42 40.37 3tgf n LEU 49 CO 0.00 1.87 0.00 0.00 -1.22 0.00 0.00 177.39 178.04