#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnf n ASN 5 N 0.00 0.61 -4.86 4.38 6.94 -1.26 -4.80 115.26 116.26 1bnf n ASN 5 Ca 0.00 -1.99 -0.23 0.00 -0.02 0.00 0.00 54.58 52.34 1bnf n ASN 5 Cb 0.00 -0.25 -0.04 0.00 -2.36 0.00 0.00 39.78 37.13 1bnf n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bnf s THR 6 N 0.00 4.70 0.11 5.53 -4.23 -1.26 -1.35 115.64 119.14 1bnf s THR 6 Ca 0.22 -1.18 -0.24 0.00 -1.18 0.00 0.00 61.69 59.30 1bnf s THR 6 Cb 0.25 -3.50 -0.08 0.00 1.34 0.00 0.00 72.50 70.51 1bnf s THR 6 CO -0.11 -0.27 1.67 -0.26 -0.54 0.00 0.00 174.62 175.11 1bnf h PHE 7 N 1.69 -0.42 -0.19 3.99 0.04 -1.99 0.30 116.94 120.37 1bnf h PHE 7 Ca -0.49 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.27 1bnf h PHE 7 Cb 1.22 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 1bnf h PHE 7 CO 0.54 -0.24 0.02 -0.44 -0.60 0.00 0.00 178.31 177.59 1bnf h ASP 8 N -0.29 0.31 -0.27 2.17 3.32 -1.99 -1.09 116.42 118.58 1bnf h ASP 8 Ca 0.04 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 56.87 1bnf h ASP 8 Cb 0.34 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1bnf h ASP 8 CO -0.13 0.51 -0.06 1.23 -1.72 0.00 0.00 179.24 179.06 1bnf h GLY 9 N 0.10 0.20 1.01 2.75 0.00 -1.95 0.81 103.07 105.99 1bnf h GLY 9 Ca 0.06 0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.34 1bnf h GLY 9 CO 0.01 -0.10 -0.30 -2.08 0.00 0.00 0.00 176.54 174.06 1bnf h VAL 10 N 0.00 1.29 -0.32 4.60 2.07 -0.93 -2.70 116.25 120.26 1bnf h VAL 10 Ca 0.13 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.23 1bnf h VAL 10 Cb 0.20 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1bnf h VAL 10 CO -0.28 0.48 0.06 0.00 0.02 0.00 0.00 177.57 177.85 1bnf h ALA 11 N 0.72 0.33 -0.46 1.67 0.00 -0.82 -1.83 119.26 118.88 1bnf h ALA 11 Ca 0.05 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bnf h ALA 11 Cb 0.88 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1bnf h ALA 11 CO 0.08 -0.35 0.28 -0.44 0.00 0.00 0.00 179.25 178.82 1bnf h ASP 12 N 0.17 0.45 -0.41 0.00 3.32 -0.81 -2.37 116.42 116.77 1bnf h ASP 12 Ca 0.15 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1bnf h ASP 12 Cb 0.17 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1bnf h ASP 12 CO -0.20 0.32 0.21 0.22 -1.72 0.00 0.00 179.24 178.07 1bnf h TYR 13 N 0.56 0.39 -0.33 4.55 5.03 -1.38 -2.82 116.97 122.97 1bnf h TYR 13 Ca 0.18 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 1bnf h TYR 13 Cb 0.01 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.15 1bnf h TYR 13 CO -0.07 0.21 0.19 -0.07 -1.32 0.00 0.00 178.16 177.11 1bnf h LEU 14 N 0.43 0.40 -1.59 2.82 3.38 -1.18 0.33 115.31 119.89 1bnf h LEU 14 Ca 0.17 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1bnf h LEU 14 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1bnf h LEU 14 CO -0.11 0.34 -0.22 1.56 0.09 0.00 0.00 178.44 180.10 1bnf h GLN 15 N 0.42 0.00 0.00 1.13 4.20 -1.19 -0.24 115.11 119.43 1bnf h GLN 15 Ca 0.12 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.53 1bnf h GLN 15 Cb 0.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1bnf h GLN 15 CO -0.02 0.22 -1.69 2.41 -0.67 0.00 0.00 178.83 179.08 1bnf n THR 16 N -4.09 1.52 1.03 -0.54 -1.04 -1.08 -4.60 114.28 105.47 1bnf n THR 16 Ca -0.02 -0.14 0.11 0.00 -2.04 0.00 0.00 64.05 61.96 1bnf n THR 16 Cb 0.29 -2.02 0.13 0.00 -1.82 0.00 0.00 70.33 66.91 1bnf n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bnf n TYR 17 N -4.38 0.00 -2.69 -1.42 4.01 0.11 -4.97 117.16 107.83 1bnf n TYR 17 Ca -0.38 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.15 1bnf n TYR 17 Cb 0.73 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 39.63 1bnf n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bnf n HIS 18 N -1.29 -1.45 -3.80 -0.72 8.25 -0.10 -4.94 115.22 111.17 1bnf n HIS 18 Ca 0.06 0.21 -0.07 0.00 -0.26 0.00 0.00 57.72 57.66 1bnf n HIS 18 Cb 0.34 -3.91 -0.02 0.00 1.12 0.00 0.00 29.99 27.53 1bnf n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bnf s LYS 19 N -5.34 1.62 0.41 -0.41 -2.85 -1.26 -5.05 119.74 106.86 1bnf s LYS 19 Ca 0.13 -0.88 -0.14 0.00 -1.00 0.00 0.00 55.97 54.08 1bnf s LYS 19 Cb -0.06 0.57 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 1bnf s LYS 19 CO 0.16 -0.74 0.83 -0.51 0.10 0.00 0.00 175.35 175.19 1bnf s LEU 20 N -2.90 3.86 0.99 2.77 1.43 -1.26 -4.00 118.68 119.57 1bnf s LEU 20 Ca 0.10 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 1bnf s LEU 20 Cb -0.05 -4.19 0.17 0.00 0.03 0.00 0.00 46.19 42.14 1bnf s LEU 20 CO 0.04 -0.38 0.97 -2.65 0.23 0.00 0.00 176.35 174.56 1bnf n PRO 21 N -1.04 -0.96 0.12 1.29 -0.02 -1.26 -4.88 135.00 128.26 1bnf n PRO 21 Ca 0.04 -0.23 0.10 0.00 -2.02 0.00 0.00 63.50 61.39 1bnf n PRO 21 Cb 0.54 -2.23 0.47 0.00 -0.02 0.00 0.00 33.50 32.25 1bnf n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bnf n ASP 22 N -3.93 0.48 -0.10 2.55 8.00 -1.26 -2.21 116.55 120.08 1bnf n ASP 22 Ca 0.09 0.69 0.15 0.00 0.71 0.00 0.00 54.79 56.43 1bnf n ASP 22 Cb 0.53 -0.76 0.84 0.00 -0.02 0.00 0.00 41.12 41.70 1bnf n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnf n ASN 23 N -2.11 0.33 -4.91 -2.24 6.94 -1.26 -4.91 115.26 107.11 1bnf n ASN 23 Ca -0.00 -1.05 -0.33 0.00 -0.02 0.00 0.00 54.58 53.19 1bnf n ASN 23 Cb 0.09 -0.02 -0.05 0.00 -2.36 0.00 0.00 39.78 37.45 1bnf n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bnf s TYR 24 N -2.05 3.54 0.03 -2.53 2.02 -0.94 -1.74 117.35 115.69 1bnf s TYR 24 Ca 0.44 0.37 0.01 0.00 -0.37 0.00 0.00 57.07 57.52 1bnf s TYR 24 Cb 0.22 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 1bnf s TYR 24 CO 0.37 0.62 -0.05 0.96 -1.57 0.00 0.00 175.55 175.88 1bnf s ILE 25 N -1.38 0.33 0.95 2.71 -4.36 -0.25 -4.90 121.20 114.29 1bnf s ILE 25 Ca 0.30 -1.04 -0.14 0.00 -0.26 0.00 0.00 60.65 59.52 1bnf s ILE 25 Cb -0.13 -0.49 0.16 0.00 1.25 0.00 0.00 42.46 43.26 1bnf s ILE 25 CO 0.21 -0.47 1.16 0.42 0.24 0.00 0.00 174.94 176.51 1bnf s THR 26 N -1.53 1.95 0.23 8.37 -4.23 -1.20 -0.84 115.64 118.38 1bnf s THR 26 Ca -0.12 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.33 1bnf s THR 26 Cb -0.09 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.13 1bnf s THR 26 CO -0.01 0.00 1.77 0.11 -0.54 0.00 0.00 174.62 175.95 1bnf h LYS 27 N -1.65 1.08 -0.42 3.99 1.57 -1.97 0.28 116.57 119.46 1bnf h LYS 27 Ca -0.49 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 57.95 1bnf h LYS 27 Cb 1.31 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1bnf h LYS 27 CO 0.55 0.93 -0.18 0.66 -0.57 0.00 0.00 179.45 180.84 1bnf h SER 28 N 1.04 0.81 -0.54 0.86 4.64 -1.99 -1.21 113.55 117.16 1bnf h SER 28 Ca 0.23 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1bnf h SER 28 Cb 0.30 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1bnf h SER 28 CO -0.01 0.98 0.03 -0.33 -0.87 0.00 0.00 176.83 176.64 1bnf h GLU 29 N 0.71 0.93 -0.55 4.77 5.08 -1.79 -2.27 114.58 121.46 1bnf h GLU 29 Ca 0.11 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1bnf h GLU 29 Cb 0.68 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1bnf h GLU 29 CO 0.05 0.93 0.36 0.00 -1.00 0.00 0.00 179.01 179.35 1bnf h ALA 30 N 0.97 0.70 -0.18 3.43 0.00 -0.70 -2.69 119.26 120.78 1bnf h ALA 30 Ca 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bnf h ALA 30 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1bnf h ALA 30 CO 0.02 0.14 0.07 1.96 0.00 0.00 0.00 179.25 181.45 1bnf h GLN 31 N 0.74 0.17 0.00 0.00 4.20 -1.02 -0.11 115.11 119.08 1bnf h GLN 31 Ca 0.20 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1bnf h GLN 31 Cb -0.08 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1bnf h GLN 31 CO -0.04 0.11 -0.03 0.00 -0.67 0.00 0.00 178.83 178.19 1bnf h ALA 32 N 1.10 1.35 -0.01 3.87 0.00 -1.17 -0.18 119.26 124.22 1bnf h ALA 32 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bnf h ALA 32 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bnf h ALA 32 CO -0.07 0.04 -0.17 1.28 0.00 0.00 0.00 179.25 180.34 1bnf n LEU 33 N -3.63 0.68 0.00 0.00 4.77 -0.79 -4.91 117.00 113.12 1bnf n LEU 33 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1bnf n LEU 33 Cb 0.13 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1bnf n LEU 33 CO 0.27 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1bnf n GLY 34 N 1.31 1.17 3.71 -0.72 0.00 -0.08 -4.87 105.19 105.71 1bnf n GLY 34 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1bnf n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bnf s TRP 35 N -2.00 3.00 -0.27 1.61 -0.00 -0.12 -4.94 118.94 116.21 1bnf s TRP 35 Ca 0.00 0.62 0.02 0.00 -0.00 0.00 0.00 56.10 56.74 1bnf s TRP 35 Cb 0.00 -3.91 0.07 0.00 -0.00 0.00 0.00 33.47 29.63 1bnf s TRP 35 CO 0.00 -3.38 -0.04 0.08 -0.00 0.00 0.00 176.95 173.61 1bnf s VAL 36 N 1.34 1.84 0.24 5.86 1.01 -1.26 -4.46 120.40 124.97 1bnf s VAL 36 Ca 0.70 -1.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1bnf s VAL 36 Cb -0.43 -2.13 0.25 0.00 0.00 0.00 0.00 36.38 34.07 1bnf s VAL 36 CO 0.31 -0.23 1.67 0.00 0.00 0.00 0.00 175.10 176.85 1bnf h ALA 37 N 7.83 0.89 0.00 5.51 0.00 -2.00 -1.18 119.26 130.31 1bnf h ALA 37 Ca -0.15 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bnf h ALA 37 Cb 1.05 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bnf h ALA 37 CO 0.45 -0.38 0.00 0.43 0.00 0.00 0.00 179.25 179.76 1bnf n SER 38 N -5.22 0.42 -0.51 0.00 7.64 -1.26 -1.23 113.62 113.45 1bnf n SER 38 Ca 0.14 0.63 0.11 0.00 1.01 0.00 0.00 58.87 60.76 1bnf n SER 38 Cb 0.47 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1bnf n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bnf n LYS 39 N -1.99 1.35 -3.86 1.43 5.02 -0.46 -4.99 118.16 114.67 1bnf n LYS 39 Ca 0.01 -1.04 -0.25 0.00 -2.02 0.00 0.00 58.31 55.01 1bnf n LYS 39 Cb 0.14 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1bnf n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnf n GLY 40 N 1.37 -0.32 1.09 0.72 0.00 -0.37 -4.91 105.19 102.78 1bnf n GLY 40 Ca 0.09 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1bnf n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bnf n ASN 41 N -2.96 4.02 -0.12 1.61 6.94 -1.26 -3.97 115.26 119.53 1bnf n ASN 41 Ca -0.21 -2.59 -0.05 0.00 -0.02 0.00 0.00 54.58 51.71 1bnf n ASN 41 Cb 0.64 -0.48 0.01 0.00 -2.36 0.00 0.00 39.78 37.58 1bnf n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bnf h LEU 42 N 2.65 -0.62 -1.29 -4.53 5.85 -1.88 0.36 115.31 115.87 1bnf h LEU 42 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1bnf h LEU 42 Cb 1.30 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1bnf h LEU 42 CO 0.19 -0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.07 1bnf h ALA 43 N 1.19 1.00 -0.02 1.25 0.00 -1.85 0.34 119.26 121.17 1bnf h ALA 43 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1bnf h ALA 43 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1bnf h ALA 43 CO -0.46 0.00 -0.61 -0.44 0.00 0.00 0.00 179.25 177.73 1bnf h ASP 44 N 0.00 0.57 0.73 0.00 3.32 -0.64 -3.07 116.42 117.34 1bnf h ASP 44 Ca 0.00 -0.74 -0.05 0.00 0.02 0.00 0.00 57.03 56.27 1bnf h ASP 44 Cb 0.21 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1bnf h ASP 44 CO 0.00 1.23 -1.30 1.33 -1.72 0.00 0.00 179.24 178.78 1bnf n VAL 45 N -4.20 0.66 -3.14 -1.35 0.24 -0.86 -4.63 118.33 105.06 1bnf n VAL 45 Ca -0.10 -0.58 -0.22 0.00 -2.04 0.00 0.00 64.34 61.40 1bnf n VAL 45 Cb 0.67 -0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 32.62 1bnf n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnf n ALA 46 N -2.26 1.99 -1.65 2.33 0.00 0.12 -4.94 120.51 116.11 1bnf n ALA 46 Ca -0.04 -3.19 -0.46 0.00 0.00 0.00 0.00 53.44 49.75 1bnf n ALA 46 Cb 0.63 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1bnf n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bnf n PRO 47 N 1.29 1.82 0.00 0.00 -0.02 -1.16 -1.97 135.00 134.97 1bnf n PRO 47 Ca 0.20 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1bnf n PRO 47 Cb 0.56 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1bnf n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bnf n GLY 48 N 2.36 2.82 3.92 -1.23 0.00 -1.26 -5.03 105.19 106.77 1bnf n GLY 48 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1bnf n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnf s LYS 49 N -0.11 3.52 0.04 1.61 -0.14 -0.83 -4.87 119.74 118.96 1bnf s LYS 49 Ca 0.00 0.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.62 1bnf s LYS 49 Cb 0.00 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.64 1bnf s LYS 49 CO 0.00 -0.08 -0.04 -1.12 -0.76 0.00 0.00 175.35 173.35 1bnf s SER 50 N -4.08 0.50 0.15 2.83 0.01 -0.71 -4.82 113.70 107.58 1bnf s SER 50 Ca 0.45 -0.73 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 1bnf s SER 50 Cb -0.10 0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.19 1bnf s SER 50 CO 0.42 -0.41 1.05 -0.63 0.41 0.00 0.00 173.24 174.08 1bnf s ILE 51 N -2.53 4.09 -0.27 1.44 -1.09 -1.26 -1.09 121.20 120.48 1bnf s ILE 51 Ca -0.04 1.77 -0.30 0.00 -2.23 0.00 0.00 60.65 59.85 1bnf s ILE 51 Cb -0.02 -4.13 0.18 0.00 -1.58 0.00 0.00 42.46 36.91 1bnf s ILE 51 CO -0.04 0.29 1.32 -0.83 -1.23 0.00 0.00 174.94 174.45 1bnf s GLY 52 N -0.05 0.03 0.00 6.18 0.00 -0.02 -0.60 107.32 112.86 1bnf s GLY 52 Ca 0.49 2.69 0.00 0.00 0.00 0.00 0.00 44.72 47.89 1bnf s GLY 52 CO 0.33 1.07 0.00 0.61 0.00 0.00 0.00 173.10 175.10 1bnf n GLY 53 N 0.50 1.14 3.79 0.20 0.00 0.37 -3.25 105.19 107.94 1bnf n GLY 53 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1bnf n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bnf s ASP 54 N -1.96 6.91 0.43 1.61 1.01 -1.25 -4.73 116.67 118.68 1bnf s ASP 54 Ca 0.00 1.94 -0.25 0.00 0.71 0.00 0.00 52.55 54.94 1bnf s ASP 54 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 1bnf s ASP 54 CO 0.00 -0.38 1.31 -0.63 0.21 0.00 0.00 175.17 175.68 1bnf s ILE 55 N -1.73 2.55 -0.16 0.77 1.01 -1.26 -1.38 121.20 120.99 1bnf s ILE 55 Ca 0.57 0.48 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 1bnf s ILE 55 Cb -0.19 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1bnf s ILE 55 CO 0.24 0.06 -0.06 0.12 0.00 0.00 0.00 174.94 175.30 1bnf s PHE 56 N -1.28 2.97 0.23 3.97 5.36 0.12 -4.82 117.98 124.52 1bnf s PHE 56 Ca 0.59 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1bnf s PHE 56 Cb -0.38 -1.96 0.23 0.00 -0.34 0.00 0.00 43.02 40.57 1bnf s PHE 56 CO 0.48 -0.15 1.55 0.77 -1.46 0.00 0.00 175.22 176.42 1bnf h SER 57 N 6.92 0.37 -4.82 6.13 0.02 -1.90 -3.39 113.55 116.88 1bnf h SER 57 Ca -0.31 -0.20 -0.36 0.00 -0.84 0.00 0.00 61.79 60.07 1bnf h SER 57 Cb 1.19 -0.11 0.10 0.00 0.14 0.00 0.00 62.40 63.72 1bnf h SER 57 CO 0.61 0.86 -0.58 -3.20 -1.14 0.00 0.00 176.83 173.38 1bnf n ASN 58 N -3.91 -5.82 -0.28 3.07 5.15 -1.26 -4.90 115.26 107.31 1bnf n ASN 58 Ca -0.03 -0.39 -0.03 0.00 -0.60 0.00 0.00 54.58 53.53 1bnf n ASN 58 Cb 0.60 -4.52 0.08 0.00 -0.53 0.00 0.00 39.78 35.41 1bnf n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1bnf h ARG 59 N -1.97 0.96 -0.01 1.20 9.65 -2.00 -1.73 114.38 120.47 1bnf h ARG 59 Ca -0.50 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1bnf h ARG 59 Cb 1.33 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1bnf h ARG 59 CO 0.50 0.63 0.00 0.39 2.80 0.00 0.00 179.97 184.30 1bnf n GLU 60 N -4.59 1.07 -2.68 0.20 1.02 -1.26 -4.91 120.64 109.50 1bnf n GLU 60 Ca 0.08 -0.11 -0.20 0.00 -0.02 0.00 0.00 57.16 56.91 1bnf n GLU 60 Cb 0.06 -1.33 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1bnf n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bnf n GLY 61 N 0.85 -0.51 0.22 0.62 0.00 -0.65 -4.88 105.19 100.85 1bnf n GLY 61 Ca 0.15 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1bnf n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bnf h LYS 62 N -0.53 0.00 -6.27 1.61 1.57 -1.91 -3.45 116.57 107.60 1bnf h LYS 62 Ca -0.48 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.73 1bnf h LYS 62 Cb 1.34 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.55 1bnf h LYS 62 CO 0.55 0.07 -0.64 -0.51 -0.57 0.00 0.00 179.45 178.34 1bnf s LEU 63 N -6.27 3.28 0.13 2.94 1.43 -1.26 -4.96 118.68 113.96 1bnf s LEU 63 Ca 0.05 -0.52 -0.35 0.00 -1.03 0.00 0.00 54.13 52.29 1bnf s LEU 63 Cb 0.06 -1.86 -0.17 0.00 0.03 0.00 0.00 46.19 44.26 1bnf s LEU 63 CO 0.65 0.04 1.16 -2.65 0.23 0.00 0.00 176.35 175.77 1bnf n PRO 64 N -0.59 0.94 -2.24 1.29 -0.02 -1.26 -4.85 135.00 128.27 1bnf n PRO 64 Ca -0.08 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 1bnf n PRO 64 Cb 0.57 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1bnf n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bnf s GLY 65 N 0.07 2.79 0.29 -1.23 0.00 -1.26 -5.01 107.32 102.97 1bnf s GLY 65 Ca 0.78 1.11 0.04 0.00 0.00 0.00 0.00 44.72 46.65 1bnf s GLY 65 CO 0.52 1.88 0.20 0.54 0.00 0.00 0.00 173.10 176.24 1bnf s LYS 66 N -1.02 1.55 1.15 2.90 -0.14 -1.26 -5.16 119.74 117.76 1bnf s LYS 66 Ca 0.51 -1.88 -0.13 0.00 -1.36 0.00 0.00 55.97 53.12 1bnf s LYS 66 Cb -0.37 0.19 0.27 0.00 -1.68 0.00 0.00 37.83 36.25 1bnf s LYS 66 CO 0.44 -0.52 1.04 -1.54 -0.76 0.00 0.00 175.35 174.01 1bnf s SER 67 N -3.31 1.17 0.25 2.83 1.04 -1.26 -4.90 113.70 109.51 1bnf s SER 67 Ca 0.39 1.43 -0.04 0.00 0.48 0.00 0.00 55.95 58.21 1bnf s SER 67 Cb 0.04 -2.20 0.44 0.00 0.10 0.00 0.00 66.02 64.40 1bnf s SER 67 CO 0.20 -4.07 1.78 1.23 0.98 0.00 0.00 173.24 173.37 1bnf h GLY 68 N -2.53 1.27 -2.87 7.32 0.00 -1.99 -2.53 103.07 101.74 1bnf h GLY 68 Ca -0.61 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 46.22 1bnf h GLY 68 CO 0.52 0.05 0.19 -2.13 0.00 0.00 0.00 176.54 175.17 1bnf n ARG 69 N -4.82 2.71 0.13 4.80 0.00 -1.26 -4.59 116.66 113.63 1bnf n ARG 69 Ca 0.14 -3.06 0.12 0.00 -0.00 0.00 0.00 57.85 55.05 1bnf n ARG 69 Cb 0.34 -2.02 0.06 0.00 0.00 0.00 0.00 32.46 30.83 1bnf n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bnf s TRP 71 N -3.31 3.12 0.29 0.00 0.52 -1.26 -0.11 118.94 118.18 1bnf s TRP 71 Ca 0.02 -0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.07 1bnf s TRP 71 Cb 0.08 -1.98 -0.06 0.00 -1.15 0.00 0.00 33.47 30.37 1bnf s TRP 71 CO 0.75 0.09 0.00 1.03 0.02 0.00 0.00 176.95 178.84 1bnf s ARG 72 N 0.22 1.54 0.13 4.98 0.52 -0.11 0.15 118.95 126.38 1bnf s ARG 72 Ca 0.00 -1.81 -0.01 0.00 -0.52 0.00 0.00 55.73 53.39 1bnf s ARG 72 Cb -0.13 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1bnf s ARG 72 CO 0.02 -0.09 0.05 -1.83 0.02 0.00 0.00 175.30 173.48 1bnf s GLU 73 N -3.83 0.92 -0.06 3.54 -1.05 -0.48 -1.32 118.70 116.42 1bnf s GLU 73 Ca 0.32 -1.43 -0.17 0.00 -0.15 0.00 0.00 54.97 53.53 1bnf s GLU 73 Cb 0.06 0.24 0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1bnf s GLU 73 CO 0.13 -0.25 0.40 0.00 0.95 0.00 0.00 175.26 176.48 1bnf s ALA 74 N -4.04 -1.01 0.35 -0.84 0.00 -0.59 -0.48 121.76 115.15 1bnf s ALA 74 Ca 0.24 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1bnf s ALA 74 Cb 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 1bnf s ALA 74 CO 0.01 -0.26 0.99 -0.51 0.00 0.00 0.00 175.76 175.99 1bnf s ASP 75 N -0.90 7.12 0.14 0.00 1.11 0.23 -1.28 116.67 123.09 1bnf s ASP 75 Ca -0.10 1.92 0.09 0.00 0.18 0.00 0.00 52.55 54.65 1bnf s ASP 75 Cb -0.04 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1bnf s ASP 75 CO 0.04 -0.23 -0.22 -0.63 1.18 0.00 0.00 175.17 175.32 1bnf s ILE 76 N -1.64 1.97 -1.54 0.77 -1.09 -0.73 -4.75 121.20 114.19 1bnf s ILE 76 Ca 0.53 -1.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.18 1bnf s ILE 76 Cb -0.20 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1bnf s ILE 76 CO 0.25 -0.11 0.00 0.59 -1.23 0.00 0.00 174.94 174.45 1bnf n ASN 77 N 0.69 -5.36 -4.72 3.58 3.02 -0.46 -4.56 115.26 107.45 1bnf n ASN 77 Ca -0.16 0.36 -0.41 0.00 -0.03 0.00 0.00 54.58 54.33 1bnf n ASN 77 Cb 0.55 -4.14 -0.04 0.00 -0.61 0.00 0.00 39.78 35.54 1bnf n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bnf s TYR 78 N -2.33 3.72 0.07 3.10 5.04 -1.26 -4.92 117.35 120.77 1bnf s TYR 78 Ca 0.00 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1bnf s TYR 78 Cb 0.00 -3.05 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1bnf s TYR 78 CO 0.00 0.10 0.00 2.41 -1.34 0.00 0.00 175.55 176.72 1bnf n THR 79 N 3.38 0.43 -3.66 4.34 -1.04 -1.26 -4.95 114.28 111.52 1bnf n THR 79 Ca 0.03 0.14 -0.06 0.00 -2.04 0.00 0.00 64.05 62.12 1bnf n THR 79 Cb 0.50 -1.27 -0.02 0.00 -1.82 0.00 0.00 70.33 67.72 1bnf n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bnf s SER 80 N -5.35 -0.29 0.00 8.00 1.04 -1.26 -4.81 113.70 111.03 1bnf s SER 80 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1bnf s SER 80 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1bnf s SER 80 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1bnf n GLY 81 N -0.40 -0.41 3.79 7.32 0.00 -1.25 -4.90 105.19 109.33 1bnf n GLY 81 Ca -0.08 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1bnf n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bnf s PHE 82 N 0.00 2.85 0.61 1.61 0.08 -1.26 -4.36 117.98 117.50 1bnf s PHE 82 Ca 0.00 1.52 -0.19 0.00 0.12 0.00 0.00 56.93 58.39 1bnf s PHE 82 Cb 0.00 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 1bnf s PHE 82 CO 0.00 -1.34 1.25 1.03 -0.10 0.00 0.00 175.22 176.06 1bnf s ARG 83 N -4.10 2.85 0.00 0.44 0.52 -1.26 -5.01 118.95 112.38 1bnf s ARG 83 Ca 0.65 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.81 1bnf s ARG 83 Cb -0.18 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1bnf s ARG 83 CO 0.39 -1.34 0.00 0.27 0.02 0.00 0.00 175.30 174.65 1bnf n ASN 84 N -1.63 0.00 -0.96 0.23 0.23 -1.26 -5.03 115.26 106.84 1bnf n ASN 84 Ca 0.14 -0.18 0.08 0.00 -0.53 0.00 0.00 54.58 54.10 1bnf n ASN 84 Cb 0.49 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.42 1bnf n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bnf n SER 85 N -0.54 3.40 -4.69 0.53 3.41 -1.26 -4.94 113.62 109.53 1bnf n SER 85 Ca 0.00 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.23 1bnf n SER 85 Cb 0.00 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 63.53 1bnf n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnf s ASP 86 N -1.00 6.39 0.03 4.04 1.01 -1.26 -2.06 116.67 123.82 1bnf s ASP 86 Ca 0.35 0.46 -0.05 0.00 0.71 0.00 0.00 52.55 54.02 1bnf s ASP 86 Cb 0.18 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1bnf s ASP 86 CO 0.24 -0.00 0.08 -0.13 0.21 0.00 0.00 175.17 175.56 1bnf s ARG 87 N 1.02 0.52 -0.09 8.23 1.81 0.14 -1.78 118.95 128.80 1bnf s ARG 87 Ca 0.17 -0.66 -0.01 0.00 -1.72 0.00 0.00 55.73 53.51 1bnf s ARG 87 Cb -0.14 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 1bnf s ARG 87 CO 0.06 -0.12 -0.06 -1.50 -0.68 0.00 0.00 175.30 173.00 1bnf s ILE 88 N -2.16 3.78 -0.11 1.52 2.07 -0.41 -1.29 121.20 124.60 1bnf s ILE 88 Ca -0.09 -0.43 0.04 0.00 -1.41 0.00 0.00 60.65 58.75 1bnf s ILE 88 Cb -0.04 -2.58 0.00 0.00 0.13 0.00 0.00 42.46 39.97 1bnf s ILE 88 CO -0.03 0.57 -0.23 -0.76 -1.91 0.00 0.00 174.94 172.58 1bnf s LEU 89 N -0.48 2.13 -0.01 8.50 1.02 0.86 -1.55 118.68 129.15 1bnf s LEU 89 Ca 0.07 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.69 1bnf s LEU 89 Cb -0.12 -1.43 -0.01 0.00 0.02 0.00 0.00 46.19 44.66 1bnf s LEU 89 CO 0.02 0.15 -0.08 -0.72 0.02 0.00 0.00 176.35 175.73 1bnf s TYR 90 N 0.42 0.77 0.41 0.29 1.13 -0.44 -0.29 117.35 119.64 1bnf s TYR 90 Ca -0.17 -0.15 0.05 0.00 -1.41 0.00 0.00 57.07 55.40 1bnf s TYR 90 Cb -0.17 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.19 1bnf s TYR 90 CO 0.07 -0.02 0.58 -1.54 -2.51 0.00 0.00 175.55 172.13 1bnf s SER 91 N -0.17 5.74 0.25 -0.18 1.04 -0.53 -0.93 113.70 118.91 1bnf s SER 91 Ca 0.03 -0.16 0.21 0.00 0.48 0.00 0.00 55.95 56.51 1bnf s SER 91 Cb -0.04 -1.04 0.96 0.00 0.10 0.00 0.00 66.02 66.00 1bnf s SER 91 CO -0.00 -0.69 1.63 0.00 0.98 0.00 0.00 173.24 175.16 1bnf n ASP 93 N -2.15 3.58 -2.70 0.00 5.75 -1.26 -4.98 116.55 114.79 1bnf n ASP 93 Ca 0.01 -3.24 -0.21 0.00 -0.01 0.00 0.00 54.79 51.33 1bnf n ASP 93 Cb 0.14 -0.59 0.02 0.00 -1.03 0.00 0.00 41.12 39.66 1bnf n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bnf n TRP 94 N -0.67 -1.53 -2.89 2.11 7.02 -0.59 -5.00 117.44 115.89 1bnf n TRP 94 Ca 0.26 0.29 -0.36 0.00 -1.02 0.00 0.00 57.50 56.68 1bnf n TRP 94 Cb 0.98 -4.24 -0.06 0.00 -2.42 0.00 0.00 31.31 25.56 1bnf n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bnf s LEU 95 N -6.30 4.25 -0.07 -0.99 1.43 -1.26 -4.83 118.68 110.92 1bnf s LEU 95 Ca 0.17 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.96 1bnf s LEU 95 Cb -0.08 -4.01 0.02 0.00 0.03 0.00 0.00 46.19 42.15 1bnf s LEU 95 CO 0.21 -0.10 -0.11 -0.63 0.23 0.00 0.00 176.35 175.95 1bnf s ILE 96 N -1.72 1.04 0.24 -0.59 -1.09 -0.91 -1.46 121.20 116.71 1bnf s ILE 96 Ca 0.51 -0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.58 1bnf s ILE 96 Cb -0.16 -0.97 -0.05 0.00 -1.58 0.00 0.00 42.46 39.70 1bnf s ILE 96 CO 0.21 0.34 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.87 1bnf s TYR 97 N 0.81 1.76 0.09 3.97 1.51 0.60 -0.38 117.35 125.71 1bnf s TYR 97 Ca -0.12 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.28 1bnf s TYR 97 Cb -0.15 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.72 1bnf s TYR 97 CO 0.02 0.24 -0.11 -1.59 -1.11 0.00 0.00 175.55 172.99 1bnf s LYS 98 N -3.73 0.81 0.00 -0.62 -2.85 0.15 -0.10 119.74 113.41 1bnf s LYS 98 Ca 0.26 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 1bnf s LYS 98 Cb 0.03 -0.60 -0.00 0.00 -2.06 0.00 0.00 37.83 35.20 1bnf s LYS 98 CO 0.09 0.11 -0.01 -0.08 0.10 0.00 0.00 175.35 175.55 1bnf s THR 99 N -2.01 0.11 -0.05 3.79 -1.32 -0.41 -1.37 115.64 114.39 1bnf s THR 99 Ca 0.02 -0.10 0.07 0.00 -1.21 0.00 0.00 61.69 60.47 1bnf s THR 99 Cb -0.06 -0.11 0.10 0.00 -1.51 0.00 0.00 72.50 70.93 1bnf s THR 99 CO 0.01 0.01 0.97 0.35 -2.21 0.00 0.00 174.62 173.75 1bnf n THR 100 N 2.99 0.96 -2.71 5.08 -2.24 -1.26 -0.68 114.28 116.41 1bnf n THR 100 Ca -0.13 -1.09 -0.06 0.00 -2.27 0.00 0.00 64.05 60.50 1bnf n THR 100 Cb 0.59 0.32 0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1bnf n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bnf n ASP 101 N -0.65 1.23 -3.61 3.42 5.68 -1.15 -4.56 116.55 116.90 1bnf n ASP 101 Ca 0.06 -2.50 -0.22 0.00 -0.50 0.00 0.00 54.79 51.63 1bnf n ASP 101 Cb 0.51 -0.41 0.04 0.00 -1.14 0.00 0.00 41.12 40.13 1bnf n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bnf n HIS 102 N -0.27 -2.01 -1.55 2.11 8.25 -0.87 -2.57 115.22 118.31 1bnf n HIS 102 Ca 0.07 0.78 -0.16 0.00 -0.26 0.00 0.00 57.72 58.15 1bnf n HIS 102 Cb 0.82 -4.24 -0.06 0.00 1.12 0.00 0.00 29.99 27.62 1bnf n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bnf n TYR 103 N -4.09 -0.08 0.07 4.41 4.01 -1.26 -4.92 117.16 115.31 1bnf n TYR 103 Ca -0.23 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.30 1bnf n TYR 103 Cb 0.65 -2.84 -0.15 0.00 -0.31 0.00 0.00 39.34 36.70 1bnf n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bnf h GLN 104 N 0.00 0.35 -4.87 -0.72 4.20 -1.90 -3.47 115.11 108.69 1bnf h GLN 104 Ca -0.33 -0.59 -0.32 0.00 0.06 0.00 0.00 58.65 57.46 1bnf h GLN 104 Cb 1.07 0.22 -0.21 0.00 0.30 0.00 0.00 27.48 28.86 1bnf h GLN 104 CO 0.48 1.24 -0.75 0.95 -0.67 0.00 0.00 178.83 180.08 1bnf s THR 105 N -2.59 0.78 0.05 -0.54 -4.23 -1.26 -5.11 115.64 102.74 1bnf s THR 105 Ca -0.13 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1bnf s THR 105 Cb 0.06 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 1bnf s THR 105 CO 0.86 -0.37 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.11 1bnf s PHE 106 N -1.56 0.81 -0.06 3.99 0.08 -1.26 -4.40 117.98 115.58 1bnf s PHE 106 Ca -0.05 -0.50 0.03 0.00 0.12 0.00 0.00 56.93 56.53 1bnf s PHE 106 Cb -0.09 -0.48 0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1bnf s PHE 106 CO 0.01 -0.05 -0.13 0.99 -0.10 0.00 0.00 175.22 175.94 1bnf s THR 107 N -1.41 1.17 0.20 0.64 2.01 -0.47 -4.93 115.64 112.85 1bnf s THR 107 Ca -0.07 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1bnf s THR 107 Cb -0.10 -1.06 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 1bnf s THR 107 CO 0.01 0.36 1.34 -0.75 -0.69 0.00 0.00 174.62 174.89 1bnf s LYS 108 N 0.55 4.36 0.00 4.92 2.20 -1.26 -0.67 119.74 129.84 1bnf s LYS 108 Ca -0.13 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 1bnf s LYS 108 Cb -0.15 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1bnf s LYS 108 CO 0.04 -0.30 0.00 0.44 -0.36 0.00 0.00 175.35 175.16 1bnf n ILE 109 N 2.72 0.00 -1.32 5.43 -5.35 0.49 -4.91 119.36 116.42 1bnf n ILE 109 Ca 0.07 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1bnf n ILE 109 Cb 0.42 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 1bnf n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33