#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgf n GLN 32 N 0.00 0.07 -0.29 1.61 7.27 -1.26 -5.01 117.38 119.77 2hgf n GLN 32 Ca 0.00 -0.68 0.23 0.00 0.07 0.00 0.00 57.00 56.62 2hgf n GLN 32 Cb 0.00 0.16 0.54 0.00 2.41 0.00 0.00 30.24 33.35 2hgf n GLN 32 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2hgf h ARG 33 N 3.91 0.34 0.00 3.69 -0.00 -2.04 -3.42 114.38 116.86 2hgf h ARG 33 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.90 2hgf h ARG 33 Cb 1.18 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 2hgf h ARG 33 CO -0.14 0.22 0.00 1.17 -0.00 0.00 0.00 179.97 181.22 2hgf n LYS 34 N -4.53 0.00 0.18 0.08 4.81 -1.26 0.25 118.16 117.69 2hgf n LYS 34 Ca 0.23 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.75 2hgf n LYS 34 Cb 0.86 0.00 0.13 0.00 0.02 0.00 0.00 35.03 36.04 2hgf n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgf h ARG 35 N 0.00 0.00 -0.79 1.64 3.08 -2.07 -3.34 114.38 112.90 2hgf h ARG 35 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2hgf h ARG 35 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 2hgf h ARG 35 CO 0.00 0.26 -0.50 -0.09 -1.07 0.00 0.00 179.97 178.58 2hgf h ARG 36 N 0.00 -0.12 -6.31 0.04 9.65 0.31 -3.38 114.38 114.56 2hgf h ARG 36 Ca -0.00 0.01 -0.65 0.00 -1.10 0.00 0.00 59.98 58.23 2hgf h ARG 36 Cb 1.16 0.03 0.04 0.00 -1.39 0.00 0.00 29.97 29.81 2hgf h ARG 36 CO 0.03 -0.08 0.75 0.09 2.80 0.00 0.00 179.97 183.56 2hgf n ASN 37 N -5.36 2.51 -0.58 -3.80 3.02 -1.26 -4.79 115.26 105.00 2hgf n ASN 37 Ca 0.03 1.07 0.07 0.00 -0.03 0.00 0.00 54.58 55.72 2hgf n ASN 37 Cb 0.33 -1.28 0.09 0.00 -0.61 0.00 0.00 39.78 38.31 2hgf n ASN 37 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2hgf n THR 38 N 3.64 0.24 0.19 3.41 -2.24 -1.26 -4.53 114.28 113.73 2hgf n THR 38 Ca 0.20 -0.62 0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2hgf n THR 38 Cb 0.22 1.09 0.52 0.00 -2.10 0.00 0.00 70.33 70.07 2hgf n THR 38 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2hgf h ILE 39 N 2.54 0.00 -0.00 2.28 2.10 -1.88 0.80 117.51 123.35 2hgf h ILE 39 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2hgf h ILE 39 Cb 0.60 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 2hgf h ILE 39 CO 0.00 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 178.48 2hgf n HIS 40 N -2.25 0.00 0.21 2.19 8.25 -1.26 -2.82 115.22 119.53 2hgf n HIS 40 Ca -0.01 -0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2hgf n HIS 40 Cb 0.22 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2hgf n HIS 40 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2hgf n GLU 41 N -0.63 3.02 -3.53 -0.41 1.02 0.28 -5.02 120.64 115.36 2hgf n GLU 41 Ca 0.06 -0.35 -0.23 0.00 -0.02 0.00 0.00 57.16 56.62 2hgf n GLU 41 Cb 0.03 -0.88 -0.01 0.00 -0.02 0.00 0.00 31.44 30.56 2hgf n GLU 41 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2hgf s PHE 42 N -0.99 3.49 -0.38 -0.32 0.40 -1.13 -2.24 117.98 116.82 2hgf s PHE 42 Ca 0.04 0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 56.33 2hgf s PHE 42 Cb 0.04 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.77 2hgf s PHE 42 CO 0.13 0.21 1.20 0.21 0.70 0.00 0.00 175.22 177.67 2hgf s LYS 43 N -4.22 3.85 -0.22 0.44 2.36 0.64 -4.70 119.74 117.90 2hgf s LYS 43 Ca 0.38 0.94 -0.24 0.00 -2.55 0.00 0.00 55.97 54.50 2hgf s LYS 43 Cb -0.09 -3.87 -0.01 0.00 -1.05 0.00 0.00 37.83 32.81 2hgf s LYS 43 CO 0.34 -1.20 0.81 0.21 1.55 0.00 0.00 175.35 177.06 2hgf s LYS 44 N 4.21 4.21 -0.39 4.03 2.47 -1.25 -2.23 119.74 130.79 2hgf s LYS 44 Ca 0.51 0.92 0.03 0.00 -1.56 0.00 0.00 55.97 55.87 2hgf s LYS 44 Cb -0.12 -3.62 0.16 0.00 -1.46 0.00 0.00 37.83 32.79 2hgf s LYS 44 CO 0.25 -0.44 0.32 -1.12 0.16 0.00 0.00 175.35 174.52 2hgf s SER 45 N 1.29 1.70 0.94 1.43 0.01 -0.23 -4.94 113.70 113.89 2hgf s SER 45 Ca 0.35 -2.58 -0.11 0.00 1.31 0.00 0.00 55.95 54.92 2hgf s SER 45 Cb -0.16 -0.20 0.16 0.00 0.21 0.00 0.00 66.02 66.03 2hgf s SER 45 CO 0.09 -0.21 1.10 0.00 0.41 0.00 0.00 173.24 174.63 2hgf s ALA 46 N 0.55 1.19 -1.94 1.44 0.00 -1.26 -0.85 121.76 120.89 2hgf s ALA 46 Ca 0.27 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2hgf s ALA 46 Cb -0.06 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2hgf s ALA 46 CO -0.11 -2.76 0.00 1.63 0.00 0.00 0.00 175.76 174.52 2hgf n LYS 47 N -4.20 -1.42 -3.72 0.00 5.02 -0.93 -4.81 118.16 108.10 2hgf n LYS 47 Ca 0.09 1.11 -0.11 0.00 -2.02 0.00 0.00 58.31 57.37 2hgf n LYS 47 Cb 0.53 -5.52 -0.11 0.00 -0.02 0.00 0.00 35.03 29.91 2hgf n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hgf s THR 48 N -2.80 -0.02 0.09 -0.18 2.01 -1.14 -4.66 115.64 108.93 2hgf s THR 48 Ca 0.00 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2hgf s THR 48 Cb 0.00 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 2hgf s THR 48 CO 0.00 0.04 0.05 1.07 -0.69 0.00 0.00 174.62 175.08 2hgf n THR 49 N 3.96 0.00 -4.18 -0.82 5.66 -1.05 -1.76 114.28 116.08 2hgf n THR 49 Ca -0.22 -0.55 -0.11 0.00 -3.05 0.00 0.00 64.05 60.12 2hgf n THR 49 Cb 0.55 0.23 -0.10 0.00 -1.55 0.00 0.00 70.33 69.47 2hgf n THR 49 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2hgf s LEU 50 N 0.00 1.84 0.00 1.09 1.43 -1.26 0.59 118.68 122.37 2hgf s LEU 50 Ca 0.07 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2hgf s LEU 50 Cb 0.00 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.43 2hgf s LEU 50 CO 0.05 -0.69 0.00 -0.38 0.23 0.00 0.00 176.35 175.55 2hgf n ILE 51 N -0.14 0.00 -3.64 -0.59 5.41 0.30 -4.63 119.36 116.07 2hgf n ILE 51 Ca -0.05 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.62 2hgf n ILE 51 Cb 0.64 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.50 2hgf n ILE 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2hgf s LYS 52 N 3.26 0.43 0.00 0.38 0.00 -1.26 -4.34 119.74 118.21 2hgf s LYS 52 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.51 2hgf s LYS 52 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 37.83 38.02 2hgf s LYS 52 CO 0.00 -0.06 0.01 -0.89 0.00 0.00 0.00 175.35 174.42 2hgf n ILE 53 N 2.34 0.00 -2.97 3.79 5.41 0.71 -4.88 119.36 123.77 2hgf n ILE 53 Ca -0.13 -0.08 -0.32 0.00 1.00 0.00 0.00 62.75 63.22 2hgf n ILE 53 Cb 0.56 1.14 -0.06 0.00 -0.71 0.00 0.00 39.64 40.57 2hgf n ILE 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2hgf s ASP 54 N -0.13 6.81 0.34 4.38 2.15 0.66 -4.87 116.67 126.00 2hgf s ASP 54 Ca 0.00 1.43 0.03 0.00 0.43 0.00 0.00 52.55 54.44 2hgf s ASP 54 Cb 0.00 -2.44 0.61 0.00 -0.30 0.00 0.00 42.92 40.80 2hgf s ASP 54 CO 0.00 -0.29 1.93 -0.65 -0.17 0.00 0.00 175.17 175.99 2hgf h PRO 55 N 1.99 0.67 -1.02 4.34 0.11 -1.98 -2.68 132.00 133.42 2hgf h PRO 55 Ca -0.48 -0.09 -0.68 0.00 0.11 0.00 0.00 66.00 64.85 2hgf h PRO 55 Cb 1.18 -0.12 -0.29 0.00 0.11 0.00 0.00 31.00 31.87 2hgf h PRO 55 CO 0.63 0.56 0.88 0.00 -0.21 0.00 0.00 178.00 179.86 2hgf n ALA 56 N -2.46 6.35 -3.62 -0.75 0.00 -1.26 -4.86 120.51 113.91 2hgf n ALA 56 Ca 0.04 -3.50 -0.23 0.00 0.00 0.00 0.00 53.44 49.75 2hgf n ALA 56 Cb 0.15 -1.78 -0.17 0.00 0.00 0.00 0.00 19.45 17.66 2hgf n ALA 56 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2hgf s LEU 57 N -3.84 0.20 0.00 0.00 2.96 -1.01 -5.12 118.68 111.88 2hgf s LEU 57 Ca 0.65 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 2hgf s LEU 57 Cb 0.51 -0.10 0.00 0.00 0.50 0.00 0.00 46.19 47.10 2hgf s LEU 57 CO -0.02 -0.31 0.00 0.29 -1.32 0.00 0.00 176.35 174.99 2hgf n LYS 58 N 5.29 2.89 -0.93 1.98 4.76 -1.26 -4.66 118.16 126.23 2hgf n LYS 58 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2hgf n LYS 58 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 2hgf n LYS 58 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2hgf n ILE 59 N 0.00 0.00 -3.76 -0.18 5.41 -1.26 -3.93 119.36 115.64 2hgf n ILE 59 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 2hgf n ILE 59 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 2hgf n ILE 59 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2hgf s LYS 60 N -1.41 0.56 0.01 0.38 2.47 -0.26 -4.96 119.74 116.52 2hgf s LYS 60 Ca 0.00 0.11 0.01 0.00 -1.56 0.00 0.00 55.97 54.52 2hgf s LYS 60 Cb 0.00 0.26 -0.01 0.00 -1.46 0.00 0.00 37.83 36.62 2hgf s LYS 60 CO 0.00 -0.13 -0.03 0.95 0.16 0.00 0.00 175.35 176.30 2hgf s THR 61 N -0.67 0.20 -0.21 3.43 -4.23 -1.26 -0.85 115.64 112.05 2hgf s THR 61 Ca -0.08 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 59.99 2hgf s THR 61 Cb -0.04 -0.22 0.07 0.00 1.34 0.00 0.00 72.50 73.65 2hgf s THR 61 CO 0.03 -0.09 0.51 -0.75 -0.54 0.00 0.00 174.62 173.77 2hgf s LYS 62 N -0.45 0.49 0.54 3.99 2.20 -0.88 -4.96 119.74 120.67 2hgf s LYS 62 Ca -0.03 0.98 -0.21 0.00 -0.36 0.00 0.00 55.97 56.35 2hgf s LYS 62 Cb -0.03 0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 2hgf s LYS 62 CO -0.00 -0.17 1.13 1.63 -0.36 0.00 0.00 175.35 177.59 2hgf n LYS 63 N 4.45 1.33 -0.74 4.03 5.02 -1.26 -0.36 118.16 130.64 2hgf n LYS 63 Ca -0.20 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2hgf n LYS 63 Cb 0.55 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2hgf n LYS 63 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2hgf n VAL 64 N -1.16 0.00 -0.01 -0.18 3.14 0.47 -4.69 118.33 115.90 2hgf n VAL 64 Ca 0.11 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.45 2hgf n VAL 64 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.21 2hgf n VAL 64 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2hgf n ASN 65 N -0.91 0.60 -4.01 6.55 2.85 -1.26 -4.23 115.26 114.86 2hgf n ASN 65 Ca 0.00 0.09 -0.09 0.00 -0.11 0.00 0.00 54.58 54.47 2hgf n ASN 65 Cb 0.00 -0.22 -0.08 0.00 1.24 0.00 0.00 39.78 40.72 2hgf n ASN 65 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2hgf s THR 66 N -2.11 0.12 0.23 -0.44 -4.23 -1.26 -4.80 115.64 103.15 2hgf s THR 66 Ca -0.06 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 2hgf s THR 66 Cb 0.02 -1.72 0.18 0.00 1.34 0.00 0.00 72.50 72.32 2hgf s THR 66 CO 0.08 -0.54 1.79 0.00 -0.54 0.00 0.00 174.62 175.40 2hgf h ALA 67 N 2.78 1.00 -1.07 3.99 0.00 -1.94 -0.32 119.26 123.71 2hgf h ALA 67 Ca -0.34 0.04 0.36 0.00 0.00 0.00 0.00 54.91 54.97 2hgf h ALA 67 Cb 1.20 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 2hgf h ALA 67 CO 0.56 0.00 0.63 -0.44 0.00 0.00 0.00 179.25 180.00 2hgf h ASP 68 N 0.66 0.43 0.58 0.00 3.32 -1.99 0.14 116.42 119.54 2hgf h ASP 68 Ca 0.35 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.55 2hgf h ASP 68 Cb 0.33 0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.03 2hgf h ASP 68 CO -0.25 -0.18 -0.28 1.56 -1.72 0.00 0.00 179.24 178.38 2hgf h GLN 69 N 0.23 -0.75 -0.92 3.56 1.08 -1.46 -3.07 115.11 113.79 2hgf h GLN 69 Ca 0.76 0.05 0.26 0.00 -1.45 0.00 0.00 58.65 58.27 2hgf h GLN 69 Cb 1.94 0.17 -0.16 0.00 -0.05 0.00 0.00 27.48 29.38 2hgf h GLN 69 CO -0.57 -0.44 0.20 0.00 -0.95 0.00 0.00 178.83 177.07 2hgf h ALA 71 N 1.86 -0.37 -0.87 0.00 0.00 -1.15 2.23 119.26 120.95 2hgf h ALA 71 Ca 0.59 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.72 2hgf h ALA 71 Cb 1.25 0.71 -0.13 0.00 0.00 0.00 0.00 17.79 19.62 2hgf h ALA 71 CO -0.74 -0.40 0.33 -0.91 0.00 0.00 0.00 179.25 177.53 2hgf h ASN 72 N -0.04 0.21 0.88 0.00 2.35 -1.32 1.71 115.58 119.38 2hgf h ASN 72 Ca 0.01 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2hgf h ASN 72 Cb 0.06 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2hgf h ASN 72 CO -0.05 -0.04 0.00 -1.14 -1.65 0.00 0.00 177.43 174.55 2hgf n ARG 73 N -5.10 0.10 -0.13 0.81 0.00 -0.15 -2.76 116.66 109.43 2hgf n ARG 73 Ca 0.21 0.21 -0.17 0.00 -0.00 0.00 0.00 57.85 58.10 2hgf n ARG 73 Cb 0.63 -1.64 -0.12 0.00 0.00 0.00 0.00 32.46 31.33 2hgf n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgf h THR 75 N 0.00 1.00 -0.12 0.00 2.02 0.82 -3.41 112.91 113.22 2hgf h THR 75 Ca -0.57 -0.63 -0.39 0.00 0.77 0.00 0.00 66.41 65.59 2hgf h THR 75 Cb 1.92 1.39 -0.09 0.00 -1.74 0.00 0.00 68.15 69.63 2hgf h THR 75 CO -0.08 0.15 1.75 0.54 0.37 0.00 0.00 175.52 178.26 2hgf n ARG 76 N -5.04 0.11 0.00 6.66 5.12 -1.11 -4.86 116.66 117.54 2hgf n ARG 76 Ca -0.09 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 2hgf n ARG 76 Cb 0.21 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 2hgf n ARG 76 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2hgf n ASN 77 N 9.05 0.00 -2.00 0.55 3.02 -1.26 -3.92 115.26 120.69 2hgf n ASN 77 Ca 0.64 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 55.16 2hgf n ASN 77 Cb 0.14 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 2hgf n ASN 77 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2hgf n LYS 78 N 0.00 -2.21 0.02 3.52 4.81 -1.26 -4.51 118.16 118.54 2hgf n LYS 78 Ca 0.00 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2hgf n LYS 78 Cb 0.00 -4.52 0.00 0.00 0.02 0.00 0.00 35.03 30.53 2hgf n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hgf n GLY 79 N -0.40 -0.05 3.85 3.14 0.00 -1.25 -5.07 105.19 105.40 2hgf n GLY 79 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2hgf n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgf s LEU 80 N -5.65 4.45 0.29 0.99 2.01 -1.26 -4.94 118.68 114.56 2hgf s LEU 80 Ca 0.00 0.90 0.19 0.00 0.01 0.00 0.00 54.13 55.23 2hgf s LEU 80 Cb 0.00 -2.63 1.03 0.00 0.01 0.00 0.00 46.19 44.60 2hgf s LEU 80 CO 0.00 0.30 1.57 -0.81 1.01 0.00 0.00 176.35 178.42 2hgf n PRO 81 N 1.65 0.12 -0.09 1.29 -0.04 -1.26 -0.87 135.00 135.80 2hgf n PRO 81 Ca -0.13 0.62 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 2hgf n PRO 81 Cb 0.52 -1.92 0.12 0.00 -0.04 0.00 0.00 33.50 32.18 2hgf n PRO 81 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2hgf n PHE 82 N -2.17 0.00 -1.40 0.54 -1.74 -1.26 -4.93 117.46 106.50 2hgf n PHE 82 Ca -0.01 -0.88 -0.15 0.00 -0.56 0.00 0.00 57.45 55.85 2hgf n PHE 82 Cb 0.05 -0.13 -0.06 0.00 1.52 0.00 0.00 39.48 40.85 2hgf n PHE 82 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2hgf n THR 83 N -1.25 0.00 -2.95 1.97 -1.04 -0.05 -3.19 114.28 107.78 2hgf n THR 83 Ca 0.13 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.03 2hgf n THR 83 Cb 0.60 -1.53 0.01 0.00 -1.82 0.00 0.00 70.33 67.59 2hgf n THR 83 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgf h LYS 85 N 2.19 0.00 -2.58 0.00 1.57 -1.50 -3.45 116.57 112.80 2hgf h LYS 85 Ca -0.09 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2hgf h LYS 85 Cb 0.94 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.11 2hgf h LYS 85 CO 0.19 0.49 0.29 0.00 -0.57 0.00 0.00 179.45 179.84 2hgf s ALA 86 N -2.97 -1.70 0.17 3.86 0.00 -0.31 0.12 121.76 120.94 2hgf s ALA 86 Ca 0.04 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 2hgf s ALA 86 Cb 0.08 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.74 2hgf s ALA 86 CO 0.74 -0.65 0.27 1.97 0.00 0.00 0.00 175.76 178.09 2hgf n PHE 87 N -0.05 -1.13 -3.82 0.00 1.16 0.80 0.30 117.46 114.73 2hgf n PHE 87 Ca -0.15 -1.03 -0.11 0.00 -1.87 0.00 0.00 57.45 54.28 2hgf n PHE 87 Cb 0.62 0.31 -0.09 0.00 -1.61 0.00 0.00 39.48 38.72 2hgf n PHE 87 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2hgf s VAL 88 N -2.60 0.09 -0.17 1.97 1.01 0.47 0.25 120.40 121.41 2hgf s VAL 88 Ca 0.12 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2hgf s VAL 88 Cb -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2hgf s VAL 88 CO 0.08 -0.39 -0.12 0.12 0.00 0.00 0.00 175.10 174.79 2hgf s PHE 89 N -1.92 2.26 -0.60 5.22 5.36 -0.89 -0.66 117.98 126.76 2hgf s PHE 89 Ca -0.10 -1.38 -0.28 0.00 -0.96 0.00 0.00 56.93 54.21 2hgf s PHE 89 Cb -0.04 -1.61 0.03 0.00 -0.34 0.00 0.00 43.02 41.06 2hgf s PHE 89 CO -0.00 -0.70 1.23 0.34 -1.46 0.00 0.00 175.22 174.63 2hgf s ASP 90 N 1.45 6.37 0.45 6.13 -1.08 0.25 -1.66 116.67 128.58 2hgf s ASP 90 Ca 0.02 0.07 0.24 0.00 -0.52 0.00 0.00 52.55 52.36 2hgf s ASP 90 Cb -0.14 -2.55 1.03 0.00 -1.46 0.00 0.00 42.92 39.80 2hgf s ASP 90 CO -0.10 -1.56 1.89 0.11 0.52 0.00 0.00 175.17 176.03 2hgf h LYS 91 N 9.80 0.00 -0.02 4.34 1.57 -0.37 2.11 116.57 134.01 2hgf h LYS 91 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2hgf h LYS 91 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2hgf h LYS 91 CO 1.20 0.23 -0.33 0.00 -0.57 0.00 0.00 179.45 179.97 2hgf n ALA 92 N -2.27 3.24 -0.40 3.86 0.00 -1.25 -4.01 120.51 119.69 2hgf n ALA 92 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2hgf n ALA 92 Cb 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2hgf n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgf n ARG 93 N 0.02 -0.57 -4.27 0.00 5.12 -0.97 -5.01 116.66 110.98 2hgf n ARG 93 Ca 0.11 -0.31 -0.32 0.00 -1.93 0.00 0.00 57.85 55.40 2hgf n ARG 93 Cb 0.45 -0.80 -0.08 0.00 -1.16 0.00 0.00 32.46 30.87 2hgf n ARG 93 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2hgf n LYS 94 N -0.00 -1.56 -4.54 5.56 4.01 0.71 -4.73 118.16 117.61 2hgf n LYS 94 Ca 0.00 0.18 -0.27 0.00 -0.51 0.00 0.00 58.31 57.72 2hgf n LYS 94 Cb 0.10 -4.05 -0.10 0.00 -0.51 0.00 0.00 35.03 30.47 2hgf n LYS 94 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2hgf s GLN 95 N -7.16 1.92 0.13 1.97 -0.21 -0.89 0.18 119.66 115.60 2hgf s GLN 95 Ca 0.17 -1.99 0.11 0.00 0.02 0.00 0.00 55.36 53.67 2hgf s GLN 95 Cb -0.10 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.16 2hgf s GLN 95 CO 0.98 0.05 -0.27 0.00 -2.12 0.00 0.00 175.29 173.93 2hgf s LEU 97 N -2.05 0.03 -0.10 0.00 1.02 0.16 -2.07 118.68 115.68 2hgf s LEU 97 Ca 0.14 -1.63 -0.30 0.00 0.02 0.00 0.00 54.13 52.36 2hgf s LEU 97 Cb -0.10 0.48 -0.01 0.00 0.02 0.00 0.00 46.19 46.58 2hgf s LEU 97 CO 0.06 -0.26 1.03 0.26 0.02 0.00 0.00 176.35 177.45 2hgf s TRP 98 N 1.40 3.49 -0.09 0.29 0.51 -0.03 -0.40 118.94 124.11 2hgf s TRP 98 Ca 0.17 1.56 -0.02 0.00 -2.12 0.00 0.00 56.10 55.68 2hgf s TRP 98 Cb -0.16 -3.21 -0.03 0.00 -0.81 0.00 0.00 33.47 29.26 2hgf s TRP 98 CO -0.03 -0.33 0.01 -0.06 -0.51 0.00 0.00 176.95 176.03 2hgf s PHE 99 N 1.99 3.20 -2.00 -1.98 0.08 0.89 -1.11 117.98 119.05 2hgf s PHE 99 Ca 0.49 0.21 0.10 0.00 0.12 0.00 0.00 56.93 57.85 2hgf s PHE 99 Cb -0.19 -1.81 0.59 0.00 -0.57 0.00 0.00 43.02 41.04 2hgf s PHE 99 CO 0.19 0.48 1.07 -0.35 -0.10 0.00 0.00 175.22 176.51 2hgf n PRO 100 N 2.17 0.57 -1.61 0.24 -0.05 -1.25 -1.16 135.00 133.92 2hgf n PRO 100 Ca -0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 63.50 63.25 2hgf n PRO 100 Cb 0.54 -1.27 0.00 0.00 -0.05 0.00 0.00 33.50 32.72 2hgf n PRO 100 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 2hgf n PHE 101 N -0.77 -0.88 -4.56 0.54 1.16 -1.26 -4.56 117.46 107.13 2hgf n PHE 101 Ca 0.07 -0.27 -0.26 0.00 -1.87 0.00 0.00 57.45 55.13 2hgf n PHE 101 Cb 0.03 0.10 -0.06 0.00 -1.61 0.00 0.00 39.48 37.94 2hgf n PHE 101 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2hgf n ASN 102 N -1.55 2.20 0.00 5.98 0.23 -1.26 -4.09 115.26 116.77 2hgf n ASN 102 Ca -0.01 -2.97 0.03 0.00 -0.53 0.00 0.00 54.58 51.10 2hgf n ASN 102 Cb 0.08 0.63 0.14 0.00 -2.08 0.00 0.00 39.78 38.55 2hgf n ASN 102 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2hgf n SER 103 N -1.43 0.00 0.07 0.53 3.41 -1.26 -1.68 113.62 113.25 2hgf n SER 103 Ca -0.12 0.48 -0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2hgf n SER 103 Cb 0.56 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 2hgf n SER 103 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2hgf h MET 104 N 0.00 0.00 -6.66 4.33 2.07 -1.94 -3.46 114.93 109.27 2hgf h MET 104 Ca 0.00 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.29 2hgf h MET 104 Cb 0.11 0.00 0.19 0.00 -1.87 0.00 0.00 31.60 30.03 2hgf h MET 104 CO 0.00 0.42 -0.24 0.45 1.07 0.00 0.00 176.91 178.61 2hgf n SER 105 N -3.04 -3.42 -3.12 1.22 2.88 -0.68 -4.86 113.62 102.61 2hgf n SER 105 Ca -0.05 -0.59 -0.09 0.00 -1.33 0.00 0.00 58.87 56.80 2hgf n SER 105 Cb 0.82 -0.96 0.01 0.00 -0.75 0.00 0.00 64.21 63.33 2hgf n SER 105 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2hgf n SER 106 N -4.05 1.40 -2.83 -3.46 7.64 -1.26 -4.53 113.62 106.54 2hgf n SER 106 Ca 0.09 -1.69 -0.08 0.00 1.01 0.00 0.00 58.87 58.19 2hgf n SER 106 Cb 0.52 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 2hgf n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hgf n GLY 107 N 2.36 -0.48 3.50 0.23 0.00 -1.26 -4.67 105.19 104.87 2hgf n GLY 107 Ca 0.02 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2hgf n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgf s VAL 108 N -2.28 0.00 0.17 1.61 0.11 -1.26 0.26 120.40 119.00 2hgf s VAL 108 Ca 0.14 -1.56 -0.20 0.00 -2.93 0.00 0.00 61.98 57.43 2hgf s VAL 108 Cb -0.08 -2.48 0.05 0.00 -1.53 0.00 0.00 36.38 32.34 2hgf s VAL 108 CO 0.17 0.00 0.54 -0.54 -3.33 0.00 0.00 175.10 171.94 2hgf s LYS 109 N -3.50 1.28 0.16 1.54 1.02 -1.26 -4.83 119.74 114.16 2hgf s LYS 109 Ca 0.28 -0.66 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 2hgf s LYS 109 Cb 0.00 0.55 -0.05 0.00 -0.52 0.00 0.00 37.83 37.81 2hgf s LYS 109 CO 0.15 -0.55 0.37 0.15 -0.92 0.00 0.00 175.35 174.55 2hgf s LYS 110 N -3.80 3.58 0.00 1.68 1.02 -1.26 0.11 119.74 121.06 2hgf s LYS 110 Ca 0.04 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2hgf s LYS 110 Cb -0.01 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 2hgf s LYS 110 CO -0.09 0.45 0.00 0.39 -0.92 0.00 0.00 175.35 175.18 2hgf n GLU 111 N -0.12 3.33 0.00 1.68 1.02 0.20 -4.76 120.64 121.99 2hgf n GLU 111 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2hgf n GLU 111 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2hgf n GLU 111 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2hgf n PHE 112 N 0.00 0.00 0.00 -0.32 7.35 -1.26 -2.54 117.46 120.68 2hgf n PHE 112 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2hgf n PHE 112 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2hgf n PHE 112 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hgf n GLY 113 N 0.82 0.73 5.00 7.13 0.00 -1.26 -3.36 105.19 114.25 2hgf n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgf n GLY 113 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hgf n HIS 114 N 0.00 0.00 -1.26 1.61 -0.00 -1.26 -3.54 115.22 110.78 2hgf n HIS 114 Ca 0.00 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.25 2hgf n HIS 114 Cb 0.00 0.00 0.19 0.00 -0.12 0.00 0.00 29.99 30.06 2hgf n HIS 114 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2hgf n GLU 115 N 0.00 1.71 0.00 1.57 1.02 -1.26 -4.39 120.64 119.29 2hgf n GLU 115 Ca 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 2hgf n GLU 115 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 2hgf n GLU 115 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2hgf n PHE 116 N -1.16 -0.36 -3.64 -0.32 3.72 -1.23 0.34 117.46 114.81 2hgf n PHE 116 Ca 0.20 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.47 2hgf n PHE 116 Cb 0.75 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.22 2hgf n PHE 116 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2hgf s ASP 117 N -1.02 -0.75 -0.24 4.37 1.11 -0.67 -2.19 116.67 117.28 2hgf s ASP 117 Ca 0.00 1.42 -0.05 0.00 0.18 0.00 0.00 52.55 54.09 2hgf s ASP 117 Cb 0.00 1.42 -0.01 0.00 1.07 0.00 0.00 42.92 45.40 2hgf s ASP 117 CO 0.00 -0.24 0.01 -0.22 1.18 0.00 0.00 175.17 175.90 2hgf s LEU 118 N 0.49 3.24 -0.53 1.23 2.96 -0.03 -2.09 118.68 123.96 2hgf s LEU 118 Ca -0.01 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2hgf s LEU 118 Cb -0.05 -1.82 0.13 0.00 0.50 0.00 0.00 46.19 44.96 2hgf s LEU 118 CO -0.01 -0.06 0.28 -0.31 -1.32 0.00 0.00 176.35 174.93 2hgf s TYR 119 N 1.52 3.09 -0.37 5.38 2.02 0.71 -1.07 117.35 128.62 2hgf s TYR 119 Ca 0.05 -3.12 -0.14 0.00 -0.37 0.00 0.00 57.07 53.49 2hgf s TYR 119 Cb -0.15 -2.71 -0.00 0.00 -0.40 0.00 0.00 41.96 38.70 2hgf s TYR 119 CO -0.00 -0.73 0.31 -1.21 -1.57 0.00 0.00 175.55 172.35 2hgf s GLU 120 N -0.34 3.30 0.09 -0.62 2.02 -0.95 0.28 118.70 122.49 2hgf s GLU 120 Ca 0.18 -0.72 -0.33 0.00 0.02 0.00 0.00 54.97 54.11 2hgf s GLU 120 Cb -0.24 -3.88 -0.13 0.00 0.10 0.00 0.00 34.13 29.99 2hgf s GLU 120 CO -0.02 -0.60 1.71 0.09 0.02 0.00 0.00 175.26 176.47 2hgf n ASN 121 N 5.24 3.39 0.13 -0.19 3.02 0.33 0.23 115.26 127.42 2hgf n ASN 121 Ca -0.11 1.04 0.01 0.00 -0.03 0.00 0.00 54.58 55.48 2hgf n ASN 121 Cb 0.49 -1.44 0.32 0.00 -0.61 0.00 0.00 39.78 38.53 2hgf n ASN 121 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2hgf h LYS 122 N 7.31 0.17 0.00 3.52 1.79 -1.74 -0.12 116.57 127.50 2hgf h LYS 122 Ca -0.46 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2hgf h LYS 122 Cb 1.25 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2hgf h LYS 122 CO 0.92 0.47 0.00 -0.25 -1.08 0.00 0.00 179.45 179.50 2hgf n ASP 123 N -4.12 0.00 -0.04 0.86 8.00 -1.26 -3.03 116.55 116.95 2hgf n ASP 123 Ca -0.01 0.09 0.01 0.00 0.71 0.00 0.00 54.79 55.58 2hgf n ASP 123 Cb 0.39 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2hgf n ASP 123 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2hgf n TYR 124 N -1.34 0.00 -1.41 1.24 4.02 -0.49 -5.00 117.16 114.17 2hgf n TYR 124 Ca 0.10 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.51 2hgf n TYR 124 Cb 0.22 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.42 2hgf n TYR 124 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2hgf n ILE 125 N -0.24 0.02 -1.05 -0.72 2.08 -0.18 -4.80 119.36 114.48 2hgf n ILE 125 Ca 0.01 -0.12 -0.36 0.00 0.56 0.00 0.00 62.75 62.84 2hgf n ILE 125 Cb 0.03 -0.90 0.03 0.00 -0.75 0.00 0.00 39.64 38.05 2hgf n ILE 125 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2hgf n ARG 126 N 8.17 0.00 0.00 0.38 0.00 -1.26 -5.01 116.66 118.94 2hgf n ARG 126 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 2hgf n ARG 126 Cb 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.56 2hgf n ARG 126 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92