#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf n ARG 2 N 0.00 -2.37 -4.85 0.54 3.00 -1.26 -5.05 116.66 106.68 2qbf n ARG 2 Ca 0.00 2.10 -0.25 0.00 -0.00 0.00 0.00 57.85 59.70 2qbf n ARG 2 Cb 0.00 -5.27 -0.16 0.00 0.00 0.00 0.00 32.46 27.03 2qbf n ARG 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2qbf s SER 3 N -2.29 2.10 -0.37 6.15 0.01 -1.26 -5.00 113.70 113.03 2qbf s SER 3 Ca 0.19 -0.33 0.11 0.00 1.31 0.00 0.00 55.95 57.23 2qbf s SER 3 Cb -0.05 -0.32 0.40 0.00 0.21 0.00 0.00 66.02 66.26 2qbf s SER 3 CO 0.71 0.20 1.43 -0.11 0.41 0.00 0.00 173.24 175.88 2qbf n LEU 4 N 2.77 -1.56 0.00 2.44 -0.00 -1.26 -5.12 117.00 114.27 2qbf n LEU 4 Ca -0.16 -3.34 0.00 0.00 -0.00 0.00 0.00 56.01 52.51 2qbf n LEU 4 Cb 0.54 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 2qbf n LEU 4 CO 0.24 1.79 0.00 0.29 -0.00 0.00 0.00 177.39 179.71 2qbf n LYS 5 N -1.03 0.00 -4.08 1.96 5.02 -1.26 -4.37 118.16 114.40 2qbf n LYS 5 Ca -0.09 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.86 2qbf n LYS 5 Cb 0.86 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.72 2qbf n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qbf s LYS 6 N 0.00 2.88 0.00 1.97 -0.14 -1.26 -4.98 119.74 118.21 2qbf s LYS 6 Ca 0.00 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2qbf s LYS 6 Cb 0.00 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 2qbf s LYS 6 CO 0.00 -0.29 0.00 0.41 -0.76 0.00 0.00 175.35 174.71 2qbf n GLY 7 N 4.61 1.44 3.68 -3.33 0.00 -1.26 -5.09 105.19 105.24 2qbf n GLY 7 Ca -0.19 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 2qbf n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbf n PRO 8 N 0.00 2.56 -4.65 1.61 -0.02 -1.26 -4.98 135.00 128.26 2qbf n PRO 8 Ca 0.00 0.93 -0.32 0.00 -2.02 0.00 0.00 63.50 62.09 2qbf n PRO 8 Cb 0.00 -2.79 -0.12 0.00 -0.02 0.00 0.00 33.50 30.57 2qbf n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qbf s PHE 9 N 2.60 2.77 0.19 6.00 2.19 -1.26 -5.02 117.98 125.45 2qbf s PHE 9 Ca 0.83 -0.11 -0.10 0.00 0.33 0.00 0.00 56.93 57.88 2qbf s PHE 9 Cb -0.56 -1.59 -0.01 0.00 -1.31 0.00 0.00 43.02 39.55 2qbf s PHE 9 CO 0.40 0.29 0.33 0.96 1.83 0.00 0.00 175.22 179.03 2qbf s ILE 10 N -0.88 0.04 0.12 3.12 -4.36 -1.26 -1.92 121.20 116.06 2qbf s ILE 10 Ca 0.14 -1.39 -0.14 0.00 -0.26 0.00 0.00 60.65 59.00 2qbf s ILE 10 Cb -0.11 -1.94 -0.07 0.00 1.25 0.00 0.00 42.46 41.59 2qbf s ILE 10 CO 0.04 -0.20 0.53 -1.81 0.24 0.00 0.00 174.94 173.74 2qbf s ASP 11 N -2.98 6.84 0.19 4.36 1.11 -1.26 -4.99 116.67 119.92 2qbf s ASP 11 Ca 0.19 1.07 -0.21 0.00 0.18 0.00 0.00 52.55 53.78 2qbf s ASP 11 Cb 0.02 -2.28 0.12 0.00 1.07 0.00 0.00 42.92 41.85 2qbf s ASP 11 CO 0.03 0.15 1.59 0.25 1.18 0.00 0.00 175.17 178.36 2qbf h LEU 12 N 3.77 -1.15 -0.10 1.23 6.46 -2.01 -2.94 115.31 120.57 2qbf h LEU 12 Ca -0.49 0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2qbf h LEU 12 Cb 1.20 0.57 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 2qbf h LEU 12 CO 0.65 -0.30 -0.06 1.41 -0.62 0.00 0.00 178.44 179.52 2qbf n HIS 13 N -5.43 -0.04 -0.29 1.25 -0.00 -1.26 -0.05 115.22 109.39 2qbf n HIS 13 Ca 0.04 0.12 -0.00 0.00 -0.00 0.00 0.00 57.72 57.88 2qbf n HIS 13 Cb 0.35 -0.33 0.12 0.00 -0.00 0.00 0.00 29.99 30.14 2qbf n HIS 13 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 2qbf h LEU 14 N 0.00 0.78 0.56 2.41 8.10 -1.92 -2.01 115.31 123.24 2qbf h LEU 14 Ca 0.02 0.02 -0.02 0.00 0.11 0.00 0.00 57.88 58.00 2qbf h LEU 14 Cb 0.04 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.10 2qbf h LEU 14 CO -0.09 0.51 -0.41 0.25 -4.11 0.00 0.00 178.44 174.59 2qbf h LEU 15 N 0.92 -1.08 -1.00 0.17 6.46 -0.35 0.90 115.31 121.32 2qbf h LEU 15 Ca 0.35 0.07 0.20 0.00 -0.12 0.00 0.00 57.88 58.38 2qbf h LEU 15 Cb 0.15 0.33 -0.11 0.00 -0.73 0.00 0.00 40.66 40.30 2qbf h LEU 15 CO -0.16 -0.60 0.61 0.11 -0.62 0.00 0.00 178.44 177.78 2qbf h LYS 16 N -0.93 0.72 0.09 1.25 1.57 -0.91 0.20 116.57 118.56 2qbf h LYS 16 Ca -0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2qbf h LYS 16 Cb 0.77 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2qbf h LYS 16 CO 0.03 0.48 -0.04 0.87 -0.57 0.00 0.00 179.45 180.22 2qbf h LYS 17 N 0.74 -0.12 -0.59 3.15 1.79 -0.95 -3.07 116.57 117.52 2qbf h LYS 17 Ca 0.59 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 59.04 2qbf h LYS 17 Cb 0.94 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.59 2qbf h LYS 17 CO -0.39 0.42 0.29 -0.24 -1.08 0.00 0.00 179.45 178.44 2qbf h VAL 18 N -0.85 1.21 -0.40 0.50 3.04 0.11 -1.24 116.25 118.63 2qbf h VAL 18 Ca -0.01 -0.59 0.06 0.00 -1.01 0.00 0.00 66.70 65.15 2qbf h VAL 18 Cb 0.59 0.51 -0.05 0.00 -2.01 0.00 0.00 31.29 30.32 2qbf h VAL 18 CO 0.02 0.24 0.08 -0.08 -1.01 0.00 0.00 177.57 176.82 2qbf h GLU 19 N 0.81 0.21 -0.35 4.17 4.57 -0.74 0.64 114.58 123.88 2qbf h GLU 19 Ca 0.20 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 2qbf h GLU 19 Cb 0.12 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2qbf h GLU 19 CO -0.03 0.14 0.01 -0.22 -1.18 0.00 0.00 179.01 177.74 2qbf h LYS 20 N 0.21 0.55 0.21 1.92 3.11 -1.40 -2.84 116.57 118.33 2qbf h LYS 20 Ca 0.19 -0.11 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 2qbf h LYS 20 Cb 0.23 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2qbf h LYS 20 CO -0.25 0.56 -0.10 0.00 -2.81 0.00 0.00 179.45 176.85 2qbf h ALA 21 N 1.50 -0.28 -0.90 5.00 0.00 0.26 0.17 119.26 125.00 2qbf h ALA 21 Ca 0.11 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.08 2qbf h ALA 21 Cb 0.32 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.05 2qbf h ALA 21 CO 0.01 -0.50 -0.02 0.28 0.00 0.00 0.00 179.25 179.02 2qbf h VAL 22 N -0.59 0.14 0.06 0.00 2.07 0.41 0.79 116.25 119.14 2qbf h VAL 22 Ca -0.03 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 2qbf h VAL 22 Cb 0.43 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2qbf h VAL 22 CO 0.05 0.01 -0.49 1.05 0.02 0.00 0.00 177.57 178.20 2qbf h GLU 23 N 0.05 0.22 0.00 1.57 -0.00 -1.47 -3.20 114.58 111.76 2qbf h GLU 23 Ca 0.51 -0.32 0.00 0.00 -0.00 0.00 0.00 59.36 59.55 2qbf h GLU 23 Cb 0.96 0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.83 2qbf h GLU 23 CO -0.84 1.11 0.00 -1.13 -0.00 0.00 0.00 179.01 178.15 2qbf n SER 24 N -4.32 0.00 -0.20 3.06 3.41 0.57 -4.97 113.62 111.18 2qbf n SER 24 Ca -0.12 -1.23 0.02 0.00 -0.26 0.00 0.00 58.87 57.28 2qbf n SER 24 Cb 0.66 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2qbf n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbf n GLY 25 N 0.22 -2.10 3.84 5.00 0.00 0.26 -4.91 105.19 107.51 2qbf n GLY 25 Ca 0.03 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2qbf n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbf s ASP 26 N -3.30 4.59 0.00 1.61 1.11 -1.26 -4.34 116.67 115.08 2qbf s ASP 26 Ca 0.00 1.09 0.00 0.00 0.18 0.00 0.00 52.55 53.82 2qbf s ASP 26 Cb 0.00 -1.77 0.00 0.00 1.07 0.00 0.00 42.92 42.22 2qbf s ASP 26 CO 0.00 -1.88 0.00 2.29 1.18 0.00 0.00 175.17 176.76 2qbf n LYS 27 N -3.35 0.00 -0.63 8.23 2.85 -1.26 -5.12 118.16 118.89 2qbf n LYS 27 Ca 0.07 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.02 2qbf n LYS 27 Cb 0.58 0.00 0.19 0.00 -0.65 0.00 0.00 35.03 35.15 2qbf n LYS 27 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2qbf n LYS 28 N 0.00 -1.34 0.00 -1.58 0.00 -1.26 -4.64 118.16 109.34 2qbf n LYS 28 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 57.96 2qbf n LYS 28 Cb 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 35.03 32.96 2qbf n LYS 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2qbf n PRO 29 N -3.55 -1.40 -3.97 -1.58 -0.04 -1.25 -4.59 135.00 118.62 2qbf n PRO 29 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 2qbf n PRO 29 Cb 0.55 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.85 2qbf n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qbf s LEU 30 N 0.00 2.01 -0.64 1.53 1.43 0.63 -4.81 118.68 118.83 2qbf s LEU 30 Ca 0.00 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.08 2qbf s LEU 30 Cb 0.00 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.14 2qbf s LEU 30 CO 0.00 -0.15 1.03 -0.13 0.23 0.00 0.00 176.35 177.33 2qbf s ARG 31 N 1.48 3.21 0.02 1.70 3.00 -1.26 0.04 118.95 127.14 2qbf s ARG 31 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 55.73 55.17 2qbf s ARG 31 Cb -0.16 -4.15 0.00 0.00 0.00 0.00 0.00 34.95 30.64 2qbf s ARG 31 CO -0.08 -1.77 0.15 0.95 0.00 0.00 0.00 175.30 174.54 2qbf s THR 32 N 4.40 0.10 -0.40 0.02 -4.23 -1.23 -5.02 115.64 109.28 2qbf s THR 32 Ca 0.28 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 60.04 2qbf s THR 32 Cb -0.13 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 2qbf s THR 32 CO 0.15 -0.45 0.36 0.79 -0.54 0.00 0.00 174.62 174.93 2qbf n TRP 33 N 1.13 0.00 -0.54 3.99 8.01 -1.26 -2.89 117.44 125.88 2qbf n TRP 33 Ca -0.21 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 55.92 2qbf n TRP 33 Cb 0.57 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.79 2qbf n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2qbf n SER 34 N -0.70 3.32 0.20 -0.99 3.41 -1.26 -4.44 113.62 113.15 2qbf n SER 34 Ca 0.02 -2.05 0.18 0.00 -0.26 0.00 0.00 58.87 56.76 2qbf n SER 34 Cb 0.10 -0.84 0.83 0.00 -0.26 0.00 0.00 64.21 64.04 2qbf n SER 34 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qbf h ARG 35 N 3.55 0.00 0.00 4.33 0.11 -1.91 0.22 114.38 120.69 2qbf h ARG 35 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2qbf h ARG 35 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2qbf h ARG 35 CO 0.24 0.00 0.00 2.89 0.10 0.00 0.00 179.97 183.20 2qbf n ARG 36 N -3.58 0.64 -2.91 0.08 1.85 -1.26 -0.08 116.66 111.40 2qbf n ARG 36 Ca 0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.56 2qbf n ARG 36 Cb 0.41 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.27 2qbf n ARG 36 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2qbf s SER 37 N -2.02 6.72 0.46 2.89 0.01 0.78 -4.89 113.70 117.65 2qbf s SER 37 Ca 0.31 1.36 -0.13 0.00 1.31 0.00 0.00 55.95 58.79 2qbf s SER 37 Cb 0.14 -2.41 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 2qbf s SER 37 CO 0.24 -0.34 0.88 -0.89 0.41 0.00 0.00 173.24 173.54 2qbf s THR 38 N -2.21 4.67 -0.16 1.44 2.01 -0.81 -2.20 115.64 118.39 2qbf s THR 38 Ca 0.55 0.89 -0.18 0.00 0.31 0.00 0.00 61.69 63.27 2qbf s THR 38 Cb -0.10 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2qbf s THR 38 CO 0.22 -0.62 0.49 -0.63 -0.69 0.00 0.00 174.62 173.39 2qbf s ILE 39 N -2.52 5.15 0.29 1.82 1.01 -0.02 -4.85 121.20 122.09 2qbf s ILE 39 Ca 0.55 0.93 0.07 0.00 0.00 0.00 0.00 60.65 62.20 2qbf s ILE 39 Cb -0.10 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2qbf s ILE 39 CO 0.32 0.25 0.21 -0.36 0.00 0.00 0.00 174.94 175.37 2qbf s PHE 40 N 1.13 2.97 0.42 3.97 0.40 -1.26 -3.85 117.98 121.76 2qbf s PHE 40 Ca 0.24 -0.21 0.38 0.00 -0.60 0.00 0.00 56.93 56.75 2qbf s PHE 40 Cb -0.15 -1.54 1.90 0.00 0.51 0.00 0.00 43.02 43.73 2qbf s PHE 40 CO 0.10 0.40 2.19 -1.00 0.70 0.00 0.00 175.22 177.60 2qbf h PRO 41 N 1.44 0.00 0.00 0.24 0.13 -1.94 -2.02 132.00 129.84 2qbf h PRO 41 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2qbf h PRO 41 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2qbf h PRO 41 CO 0.60 0.02 -0.20 -2.95 -0.23 0.00 0.00 178.00 175.24 2qbf h ASN 42 N 0.00 0.00 0.88 1.44 -0.00 -2.01 -2.36 115.58 113.54 2qbf h ASN 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2qbf h ASN 42 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.56 2qbf h ASN 42 CO 0.00 0.20 -0.18 0.23 -0.00 0.00 0.00 177.43 177.68 2qbf n MET 43 N -3.30 0.04 -1.59 4.14 2.81 -0.76 -4.78 117.12 113.67 2qbf n MET 43 Ca 0.01 0.02 -0.50 0.00 -1.81 0.00 0.00 57.70 55.42 2qbf n MET 43 Cb 0.45 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 2qbf n MET 43 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 2qbf n ILE 44 N -1.60 0.38 -1.59 2.02 0.13 -0.89 -0.56 119.36 117.25 2qbf n ILE 44 Ca 0.06 -0.10 -0.17 0.00 -1.10 0.00 0.00 62.75 61.45 2qbf n ILE 44 Cb 0.35 -0.88 -0.06 0.00 -0.84 0.00 0.00 39.64 38.21 2qbf n ILE 44 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qbf n GLY 45 N 2.35 1.40 3.95 4.50 0.00 0.21 -4.89 105.19 112.71 2qbf n GLY 45 Ca 0.17 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2qbf n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbf s LEU 46 N -3.92 4.11 -0.54 0.99 2.01 0.27 -4.93 118.68 116.67 2qbf s LEU 46 Ca 0.00 0.33 -0.19 0.00 0.01 0.00 0.00 54.13 54.28 2qbf s LEU 46 Cb 0.00 -3.17 0.07 0.00 0.01 0.00 0.00 46.19 43.10 2qbf s LEU 46 CO 0.00 -0.22 0.68 -0.89 1.01 0.00 0.00 176.35 176.93 2qbf s THR 47 N -2.21 4.82 -0.03 5.49 2.01 -1.26 -4.24 115.64 120.22 2qbf s THR 47 Ca 0.38 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.82 2qbf s THR 47 Cb -0.09 -4.39 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 2qbf s THR 47 CO 0.34 -0.95 -0.22 -0.63 -0.69 0.00 0.00 174.62 172.47 2qbf s ILE 48 N 2.75 2.40 -0.58 1.82 1.01 -1.20 -0.27 121.20 127.13 2qbf s ILE 48 Ca 0.15 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2qbf s ILE 48 Cb -0.21 -1.87 0.14 0.00 0.01 0.00 0.00 42.46 40.53 2qbf s ILE 48 CO 0.10 0.58 0.34 0.00 0.00 0.00 0.00 174.94 175.96 2qbf s ALA 49 N -0.66 3.40 -0.27 9.38 0.00 0.11 -1.27 121.76 132.46 2qbf s ALA 49 Ca 0.11 -3.43 -0.29 0.00 0.00 0.00 0.00 51.96 48.35 2qbf s ALA 49 Cb -0.10 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.88 2qbf s ALA 49 CO -0.00 -2.05 1.13 0.08 0.00 0.00 0.00 175.76 174.92 2qbf s VAL 50 N -0.66 4.46 0.49 0.00 1.01 0.11 -3.52 120.40 122.29 2qbf s VAL 50 Ca 0.20 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.69 2qbf s VAL 50 Cb -0.18 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.84 2qbf s VAL 50 CO -0.06 -0.34 1.05 -2.28 0.00 0.00 0.00 175.10 173.47 2qbf s HIS 51 N 3.62 2.97 -0.04 5.22 5.65 -1.14 0.65 115.29 132.21 2qbf s HIS 51 Ca 0.48 1.57 -0.02 0.00 0.25 0.00 0.00 55.06 57.35 2qbf s HIS 51 Cb -0.15 -3.09 -0.02 0.00 -1.18 0.00 0.00 32.58 28.14 2qbf s HIS 51 CO 0.14 -0.90 -0.05 0.27 -0.65 0.00 0.00 174.74 173.55 2qbf n ASN 52 N -0.99 0.70 0.00 9.88 6.94 -0.77 -4.89 115.26 126.13 2qbf n ASN 52 Ca 0.09 0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 2qbf n ASN 52 Cb 0.52 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2qbf n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbf n GLY 53 N 2.82 0.00 0.43 4.83 0.00 -1.26 -4.93 105.19 107.08 2qbf n GLY 53 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 2qbf n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbf n ARG 54 N -0.12 0.39 -3.53 1.61 1.74 -1.26 -5.10 116.66 110.39 2qbf n ARG 54 Ca 0.00 0.17 -0.10 0.00 -0.77 0.00 0.00 57.85 57.15 2qbf n ARG 54 Cb 0.00 -1.15 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 2qbf n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qbf n GLN 55 N -3.83 0.86 -2.18 5.56 1.13 -1.26 -5.16 117.38 112.51 2qbf n GLN 55 Ca -0.35 -2.15 -0.29 0.00 -1.94 0.00 0.00 57.00 52.27 2qbf n GLN 55 Cb 0.74 2.42 0.02 0.00 0.11 0.00 0.00 30.24 33.53 2qbf n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2qbf s HIS 56 N -3.07 3.49 -0.01 1.08 3.76 -1.26 -1.85 115.29 117.44 2qbf s HIS 56 Ca 0.18 1.00 0.04 0.00 -0.15 0.00 0.00 55.06 56.13 2qbf s HIS 56 Cb -0.03 -2.67 -0.01 0.00 1.11 0.00 0.00 32.58 30.98 2qbf s HIS 56 CO 0.13 -0.69 -0.12 0.14 -0.85 0.00 0.00 174.74 173.35 2qbf s VAL 57 N -3.06 0.98 0.47 -0.90 -7.23 0.21 -4.81 120.40 106.06 2qbf s VAL 57 Ca 0.53 -0.56 -0.22 0.00 -1.81 0.00 0.00 61.98 59.92 2qbf s VAL 57 Cb -0.11 -0.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.94 2qbf s VAL 57 CO 0.50 0.26 1.15 -2.16 -0.31 0.00 0.00 175.10 174.53 2qbf s PRO 58 N -0.35 3.72 0.00 4.82 0.04 -1.26 0.05 135.00 142.03 2qbf s PRO 58 Ca 0.05 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.62 2qbf s PRO 58 Cb -0.05 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.18 2qbf s PRO 58 CO -0.00 -0.57 0.44 0.14 0.04 0.00 0.00 177.00 177.04 2qbf s VAL 59 N -1.59 0.04 -0.27 -0.36 -7.23 -0.39 -4.89 120.40 105.70 2qbf s VAL 59 Ca 0.65 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 2qbf s VAL 59 Cb -0.27 -0.84 0.08 0.00 0.56 0.00 0.00 36.38 35.90 2qbf s VAL 59 CO 0.33 -0.20 0.02 0.12 -0.31 0.00 0.00 175.10 175.06 2qbf s PHE 60 N -1.80 2.33 -0.25 2.82 2.19 -1.26 -3.26 117.98 118.75 2qbf s PHE 60 Ca -0.09 -1.91 -0.31 0.00 0.33 0.00 0.00 56.93 54.94 2qbf s PHE 60 Cb -0.02 -1.83 -0.07 0.00 -1.31 0.00 0.00 43.02 39.78 2qbf s PHE 60 CO 0.03 -0.83 2.20 0.28 1.83 0.00 0.00 175.22 178.73 2qbf n VAL 61 N 4.68 0.30 -4.05 3.12 0.31 -1.26 -4.79 118.33 116.64 2qbf n VAL 61 Ca -0.06 -0.38 -0.22 0.00 -0.01 0.00 0.00 64.34 63.68 2qbf n VAL 61 Cb 0.43 -2.23 -0.05 0.00 -0.91 0.00 0.00 33.84 31.09 2qbf n VAL 61 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qbf s THR 62 N 7.80 3.99 0.00 2.52 2.01 -1.25 -0.62 115.64 130.09 2qbf s THR 62 Ca 1.03 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2qbf s THR 62 Cb -0.52 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 68.73 2qbf s THR 62 CO 0.40 -0.29 0.73 -0.67 -0.69 0.00 0.00 174.62 174.10 2qbf n ASP 63 N -1.20 0.00 0.00 3.53 4.64 -1.26 0.84 116.55 123.10 2qbf n ASP 63 Ca -0.06 0.73 0.00 0.00 -1.38 0.00 0.00 54.79 54.09 2qbf n ASP 63 Cb 0.59 -0.23 0.00 0.00 -1.04 0.00 0.00 41.12 40.43 2qbf n ASP 63 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 2qbf n GLU 64 N -1.87 0.00 -3.72 -0.67 -0.00 -1.26 -3.57 120.64 109.56 2qbf n GLU 64 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.84 2qbf n GLU 64 Cb 0.00 -1.38 -0.09 0.00 -0.00 0.00 0.00 31.44 29.97 2qbf n GLU 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2qbf n MET 65 N -0.78 2.35 0.12 3.44 0.00 0.25 -4.79 117.12 117.70 2qbf n MET 65 Ca 0.00 -4.50 0.00 0.00 0.00 0.00 0.00 57.70 53.20 2qbf n MET 65 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 30.87 2qbf n MET 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2qbf n VAL 66 N 2.02 0.00 0.00 1.12 0.24 -1.23 -3.88 118.33 116.60 2qbf n VAL 66 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 2qbf n VAL 66 Cb 0.36 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 2qbf n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbf n GLY 67 N 0.79 0.00 0.03 7.63 0.00 -1.25 -1.30 105.19 111.09 2qbf n GLY 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbf n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qbf n HIS 68 N -0.44 -2.42 -5.24 1.61 -0.00 -1.26 -4.87 115.22 102.59 2qbf n HIS 68 Ca 0.00 -0.02 -0.30 0.00 -0.00 0.00 0.00 57.72 57.40 2qbf n HIS 68 Cb 0.00 -0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 2qbf n HIS 68 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2qbf s LYS 69 N -2.02 2.09 0.38 -0.41 -0.14 -1.26 -0.84 119.74 117.55 2qbf s LYS 69 Ca 0.00 -0.89 0.17 0.00 -1.36 0.00 0.00 55.97 53.90 2qbf s LYS 69 Cb -0.00 -1.98 1.07 0.00 -1.68 0.00 0.00 37.83 35.24 2qbf s LYS 69 CO 0.00 0.51 1.76 -0.07 -0.76 0.00 0.00 175.35 176.79 2qbf h LEU 70 N 5.61 0.49 -1.31 3.17 4.07 -0.92 -1.51 115.31 124.92 2qbf h LEU 70 Ca -0.41 0.09 0.13 0.00 0.08 0.00 0.00 57.88 57.78 2qbf h LEU 70 Cb 1.13 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.82 2qbf h LEU 70 CO 0.47 0.09 0.56 1.23 -1.08 0.00 0.00 178.44 179.71 2qbf h GLY 71 N 0.42 1.16 0.79 0.83 0.00 -0.76 -1.11 103.07 104.40 2qbf h GLY 71 Ca 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2qbf h GLY 71 CO -0.33 0.11 0.00 -1.84 0.00 0.00 0.00 176.54 174.48 2qbf n GLU 72 N -4.55 0.63 -0.44 4.80 0.28 -0.57 -2.15 120.64 118.65 2qbf n GLU 72 Ca 0.16 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.25 2qbf n GLU 72 Cb 0.44 -1.40 0.26 0.00 1.43 0.00 0.00 31.44 32.17 2qbf n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qbf n PHE 73 N -0.90 0.93 -3.45 -1.84 3.01 -0.42 -4.86 117.46 109.94 2qbf n PHE 73 Ca 0.12 -0.85 -0.20 0.00 1.01 0.00 0.00 57.45 57.53 2qbf n PHE 73 Cb 0.06 -0.30 -0.12 0.00 -0.01 0.00 0.00 39.48 39.11 2qbf n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qbf s ALA 74 N -2.70 -0.19 0.02 4.37 0.00 -0.92 -5.01 121.76 117.34 2qbf s ALA 74 Ca 0.41 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.74 2qbf s ALA 74 Cb 0.33 -1.59 -0.10 0.00 0.00 0.00 0.00 23.12 21.76 2qbf s ALA 74 CO 0.09 -1.57 1.96 -0.35 0.00 0.00 0.00 175.76 175.90 2qbf n PRO 75 N 5.30 2.76 -0.02 0.00 -0.04 -1.26 -4.89 135.00 136.85 2qbf n PRO 75 Ca -0.04 1.01 -0.15 0.00 -0.04 0.00 0.00 63.50 64.28 2qbf n PRO 75 Cb 0.46 -2.95 -0.11 0.00 -0.04 0.00 0.00 33.50 30.87 2qbf n PRO 75 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2qbf h THR 76 N 5.57 1.49 -3.05 0.52 1.35 -1.91 -3.45 112.91 113.42 2qbf h THR 76 Ca -0.50 -1.86 -0.62 0.00 -0.55 0.00 0.00 66.41 62.88 2qbf h THR 76 Cb 1.24 2.60 -0.09 0.00 -1.73 0.00 0.00 68.15 70.17 2qbf h THR 76 CO 0.94 0.52 -0.40 0.00 -0.25 0.00 0.00 175.52 176.33 2qbf s ARG 77 N -3.33 3.95 -0.16 4.72 1.70 -1.26 -4.84 118.95 119.73 2qbf s ARG 77 Ca -0.15 -0.01 -0.23 0.00 -0.47 0.00 0.00 55.73 54.87 2qbf s ARG 77 Cb 0.02 -3.33 -0.02 0.00 -0.57 0.00 0.00 34.95 31.05 2qbf s ARG 77 CO 0.76 0.48 0.70 0.99 -1.08 0.00 0.00 175.30 177.15 2qbf s THR 78 N -0.21 4.99 -0.11 4.99 2.01 -1.26 -5.05 115.64 120.99 2qbf s THR 78 Ca 0.15 1.37 0.01 0.00 0.31 0.00 0.00 61.69 63.53 2qbf s THR 78 Cb -0.13 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.38 2qbf s THR 78 CO 0.04 0.12 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.50 2qbf s TYR 79 N 1.74 1.70 0.00 4.92 5.04 -1.26 -5.29 117.35 124.20 2qbf s TYR 79 Ca 0.33 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 2qbf s TYR 79 Cb -0.16 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 40.85 2qbf s TYR 79 CO 0.12 -0.48 0.00 0.54 -1.34 0.00 0.00 175.55 174.39