#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s ARG 2 N 0.00 2.11 0.09 2.12 3.52 -0.51 -4.84 118.95 121.43 2qbf s ARG 2 Ca 0.00 -2.23 0.04 0.00 -0.13 0.00 0.00 55.73 53.41 2qbf s ARG 2 Cb 0.00 -1.63 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 2qbf s ARG 2 CO 0.00 -0.23 0.01 -1.01 -0.81 0.00 0.00 175.30 173.26 2qbf s HIS 3 N -2.79 3.02 -0.10 5.12 3.76 -1.26 0.13 115.29 123.17 2qbf s HIS 3 Ca 0.21 -0.01 -0.09 0.00 -0.15 0.00 0.00 55.06 55.03 2qbf s HIS 3 Cb 0.05 -1.55 0.03 0.00 1.11 0.00 0.00 32.58 32.21 2qbf s HIS 3 CO 0.11 0.49 0.26 0.71 -0.85 0.00 0.00 174.74 175.45 2qbf s TYR 4 N -1.32 -0.29 -0.98 1.40 2.02 -0.18 0.11 117.35 118.11 2qbf s TYR 4 Ca 0.26 0.70 -0.01 0.00 -0.37 0.00 0.00 57.07 57.65 2qbf s TYR 4 Cb -0.12 0.09 0.31 0.00 -0.40 0.00 0.00 41.96 41.85 2qbf s TYR 4 CO 0.19 -0.14 1.56 -1.91 -1.57 0.00 0.00 175.55 173.67 2qbf n GLU 5 N 3.03 4.73 -2.11 -0.62 2.13 -1.08 -1.39 120.64 125.32 2qbf n GLU 5 Ca -0.14 -4.65 -0.42 0.00 0.66 0.00 0.00 57.16 52.62 2qbf n GLU 5 Cb 0.58 -2.45 -0.03 0.00 0.27 0.00 0.00 31.44 29.81 2qbf n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qbf s ILE 6 N -3.67 3.02 -0.10 6.31 1.10 -1.26 -3.98 121.20 122.63 2qbf s ILE 6 Ca 0.37 0.79 -0.03 0.00 -0.51 0.00 0.00 60.65 61.27 2qbf s ILE 6 Cb 0.14 -3.51 0.04 0.00 0.15 0.00 0.00 42.46 39.29 2qbf s ILE 6 CO -0.03 0.09 0.07 0.54 -2.11 0.00 0.00 174.94 173.50 2qbf s VAL 7 N 0.56 -0.09 -0.01 4.00 0.11 -0.30 -1.82 120.40 122.85 2qbf s VAL 7 Ca 0.62 0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.90 2qbf s VAL 7 Cb -0.39 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2qbf s VAL 7 CO 0.36 -0.03 -0.23 0.72 -3.33 0.00 0.00 175.10 172.59 2qbf s PHE 8 N 2.15 2.09 -0.14 1.54 -0.12 -1.07 -2.04 117.98 120.39 2qbf s PHE 8 Ca 0.04 -0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 56.51 2qbf s PHE 8 Cb -0.14 -1.33 -0.01 0.00 -0.63 0.00 0.00 43.02 40.90 2qbf s PHE 8 CO -0.06 -0.02 -0.12 0.00 -0.05 0.00 0.00 175.22 174.98 2qbf s MET 9 N -0.63 3.39 0.18 1.99 0.23 -1.13 -1.87 119.30 121.47 2qbf s MET 9 Ca 0.09 -0.67 0.05 0.00 -1.03 0.00 0.00 55.69 54.13 2qbf s MET 9 Cb -0.09 -2.69 -0.04 0.00 -1.53 0.00 0.00 34.83 30.48 2qbf s MET 9 CO -0.01 0.15 0.20 0.08 -2.03 0.00 0.00 175.02 173.42 2qbf s VAL 10 N 0.51 4.77 0.32 5.16 1.01 -0.55 -1.44 120.40 130.18 2qbf s VAL 10 Ca -0.08 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 2qbf s VAL 10 Cb -0.16 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 2qbf s VAL 10 CO 0.04 -0.16 1.24 1.57 0.00 0.00 0.00 175.10 177.79 2qbf n HIS 11 N -0.62 2.06 -0.09 5.22 -0.00 0.54 -2.10 115.22 120.24 2qbf n HIS 11 Ca -0.08 0.57 -0.06 0.00 0.46 0.00 0.00 57.72 58.61 2qbf n HIS 11 Cb 0.55 -2.39 0.01 0.00 -0.12 0.00 0.00 29.99 28.04 2qbf n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qbf h PRO 12 N 2.60 0.14 -1.17 1.57 0.13 -1.88 -1.89 132.00 131.49 2qbf h PRO 12 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2qbf h PRO 12 Cb 1.29 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2qbf h PRO 12 CO 0.63 0.09 0.00 -0.25 -0.23 0.00 0.00 178.00 178.24 2qbf n ASP 13 N -5.13 1.99 0.00 1.44 8.00 -1.26 -1.55 116.55 120.05 2qbf n ASP 13 Ca 0.01 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.02 2qbf n ASP 13 Cb 0.15 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 2qbf n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbf n GLN 14 N 0.55 0.33 -0.34 -1.24 1.13 -0.71 -4.89 117.38 112.20 2qbf n GLN 14 Ca 0.00 -0.52 0.24 0.00 -1.94 0.00 0.00 57.00 54.78 2qbf n GLN 14 Cb 0.34 -0.58 0.48 0.00 0.11 0.00 0.00 30.24 30.60 2qbf n GLN 14 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2qbf h SER 15 N 0.00 0.51 0.26 1.08 0.87 -1.32 0.30 113.55 115.25 2qbf h SER 15 Ca 0.00 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2qbf h SER 15 Cb 0.80 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2qbf h SER 15 CO 0.00 -0.14 -0.02 1.05 -0.53 0.00 0.00 176.83 177.19 2qbf h GLU 16 N 0.31 0.00 0.05 2.24 9.09 -1.90 -1.76 114.58 122.60 2qbf h GLU 16 Ca 0.74 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.89 2qbf h GLU 16 Cb 1.71 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.79 2qbf h GLU 16 CO -0.60 0.02 -1.28 1.96 0.05 0.00 0.00 179.01 179.15 2qbf h GLN 17 N 0.00 0.10 -0.90 1.06 4.20 -0.79 -3.37 115.11 115.41 2qbf h GLN 17 Ca -0.00 -0.17 0.13 0.00 0.06 0.00 0.00 58.65 58.67 2qbf h GLN 17 Cb 0.15 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 27.85 2qbf h GLN 17 CO 0.00 0.98 -0.37 0.28 -0.67 0.00 0.00 178.83 179.05 2qbf n VAL 18 N -3.35 -0.49 0.08 -0.54 0.31 -0.66 -0.32 118.33 113.36 2qbf n VAL 18 Ca -0.08 2.11 -0.13 0.00 -0.01 0.00 0.00 64.34 66.23 2qbf n VAL 18 Cb 1.00 -2.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.08 2qbf n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qbf h PRO 19 N 0.00 -0.12 -0.71 5.55 0.13 -1.73 -2.10 132.00 133.03 2qbf h PRO 19 Ca 0.30 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.54 2qbf h PRO 19 Cb 0.52 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.60 2qbf h PRO 19 CO -0.89 -0.06 0.33 0.78 -0.23 0.00 0.00 178.00 177.93 2qbf h GLY 20 N -0.14 1.06 0.50 1.56 0.00 -1.15 -2.14 103.07 102.76 2qbf h GLY 20 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.14 2qbf h GLY 20 CO 0.02 0.02 -0.28 -0.33 0.00 0.00 0.00 176.54 175.97 2qbf h MET 21 N 0.55 -0.46 -0.32 4.80 2.86 -0.40 -2.72 114.93 119.22 2qbf h MET 21 Ca 0.36 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 58.09 2qbf h MET 21 Cb 0.42 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 2qbf h MET 21 CO -0.30 -0.31 -0.38 0.82 1.06 0.00 0.00 176.91 177.80 2qbf h ILE 22 N -0.48 0.17 -0.67 -1.22 2.04 -0.75 -0.57 117.51 116.04 2qbf h ILE 22 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 2qbf h ILE 22 Cb 0.52 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 2qbf h ILE 22 CO -0.17 0.00 0.19 -0.08 0.00 0.00 0.00 178.15 178.09 2qbf h GLU 23 N -0.34 0.31 0.17 2.37 4.81 -1.31 0.24 114.58 120.83 2qbf h GLU 23 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2qbf h GLU 23 Cb 0.57 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2qbf h GLU 23 CO -0.51 0.21 -0.08 0.00 -0.73 0.00 0.00 179.01 177.89 2qbf h ARG 24 N 0.32 -0.23 -0.22 1.92 3.08 -1.03 0.55 114.38 118.77 2qbf h ARG 24 Ca 0.36 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.46 2qbf h ARG 24 Cb 0.55 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2qbf h ARG 24 CO -0.42 -0.01 0.00 1.88 -1.07 0.00 0.00 179.97 180.35 2qbf h TYR 25 N -0.40 -0.01 0.06 3.04 0.99 -0.58 -0.63 116.97 119.44 2qbf h TYR 25 Ca -0.02 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.73 2qbf h TYR 25 Cb 0.31 0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.07 2qbf h TYR 25 CO -0.01 -0.03 -0.08 1.79 -0.00 0.00 0.00 178.16 179.83 2qbf h THR 26 N 0.07 0.82 -0.49 -2.88 1.35 -0.50 -2.28 112.91 109.01 2qbf h THR 26 Ca 0.10 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.04 2qbf h THR 26 Cb 0.13 0.82 -0.06 0.00 -1.73 0.00 0.00 68.15 67.31 2qbf h THR 26 CO -0.17 0.00 0.14 0.00 -0.25 0.00 0.00 175.52 175.23 2qbf h ALA 27 N 0.77 0.57 -0.72 6.62 0.00 -0.61 -0.89 119.26 125.01 2qbf h ALA 27 Ca 0.01 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2qbf h ALA 27 Cb 0.16 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2qbf h ALA 27 CO -0.04 -0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.32 2qbf h ALA 28 N 1.35 1.00 0.32 0.00 0.00 -0.88 0.61 119.26 121.66 2qbf h ALA 28 Ca 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2qbf h ALA 28 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qbf h ALA 28 CO -0.28 -0.01 -0.15 0.82 0.00 0.00 0.00 179.25 179.63 2qbf h ILE 29 N 0.65 0.00 -0.89 0.00 2.04 -0.72 -3.18 117.51 115.41 2qbf h ILE 29 Ca 0.35 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 66.29 2qbf h ILE 29 Cb 0.33 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.34 2qbf h ILE 29 CO -0.25 0.00 0.58 0.74 0.00 0.00 0.00 178.15 179.22 2qbf h THR 30 N -0.51 0.78 -1.02 -0.27 2.02 -1.12 0.19 112.91 112.98 2qbf h THR 30 Ca -0.04 -0.21 0.25 0.00 0.77 0.00 0.00 66.41 67.18 2qbf h THR 30 Cb 0.33 0.13 -0.10 0.00 -1.74 0.00 0.00 68.15 66.76 2qbf h THR 30 CO 0.07 0.11 0.64 1.23 0.37 0.00 0.00 175.52 177.94 2qbf h GLY 31 N 0.60 1.43 -5.44 2.16 0.00 0.26 -1.11 103.07 100.97 2qbf h GLY 31 Ca 0.46 -0.25 -0.69 0.00 0.00 0.00 0.00 47.33 46.84 2qbf h GLY 31 CO -0.20 -0.14 0.20 0.00 0.00 0.00 0.00 176.54 176.39 2qbf n ALA 32 N -2.42 5.53 -2.93 3.60 0.00 -0.30 -4.83 120.51 119.16 2qbf n ALA 32 Ca 0.25 -4.52 -0.21 0.00 0.00 0.00 0.00 53.44 48.96 2qbf n ALA 32 Cb 0.80 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.86 2qbf n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qbf n GLU 33 N -0.27 -3.75 -0.08 0.00 -0.58 -0.44 -4.84 120.64 110.68 2qbf n GLU 33 Ca 0.42 0.80 -0.06 0.00 -0.42 0.00 0.00 57.16 57.89 2qbf n GLU 33 Cb 0.36 -5.57 0.06 0.00 -0.57 0.00 0.00 31.44 25.72 2qbf n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbf n GLY 34 N -1.28 -3.48 2.71 0.62 0.00 0.51 -4.90 105.19 99.37 2qbf n GLY 34 Ca -0.12 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 2qbf n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbf s LYS 35 N -3.43 0.34 0.21 1.61 2.20 -1.12 -4.67 119.74 114.88 2qbf s LYS 35 Ca 0.13 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 2qbf s LYS 35 Cb -0.02 -0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.20 2qbf s LYS 35 CO 0.11 -0.43 1.33 0.42 -0.36 0.00 0.00 175.35 176.42 2qbf s ILE 36 N 1.10 3.12 0.00 5.43 1.01 -1.26 -1.89 121.20 128.71 2qbf s ILE 36 Ca 0.23 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.81 2qbf s ILE 36 Cb 0.09 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2qbf s ILE 36 CO -0.10 0.14 0.57 1.41 0.00 0.00 0.00 174.94 176.96 2qbf n HIS 37 N 2.57 0.00 -3.39 3.97 8.25 -1.23 -4.95 115.22 120.44 2qbf n HIS 37 Ca 0.06 -0.12 0.02 0.00 -0.26 0.00 0.00 57.72 57.41 2qbf n HIS 37 Cb 0.42 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 2qbf n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qbf s ARG 38 N -0.24 0.25 -0.49 -0.41 3.52 -1.20 -4.25 118.95 116.13 2qbf s ARG 38 Ca 0.00 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.24 2qbf s ARG 38 Cb 0.00 0.33 0.16 0.00 -1.56 0.00 0.00 34.95 33.88 2qbf s ARG 38 CO 0.00 -0.08 0.33 -1.17 -0.81 0.00 0.00 175.30 173.57 2qbf s LEU 39 N 2.25 2.63 -0.17 -0.88 1.98 -1.26 -3.12 118.68 120.09 2qbf s LEU 39 Ca -0.03 -3.04 -0.09 0.00 -2.89 0.00 0.00 54.13 48.08 2qbf s LEU 39 Cb -0.05 -0.92 -0.05 0.00 0.66 0.00 0.00 46.19 45.83 2qbf s LEU 39 CO -0.17 -0.19 0.13 -1.61 -1.89 0.00 0.00 176.35 172.62 2qbf s GLU 40 N -0.12 3.95 -0.66 1.98 2.02 -1.26 -4.93 118.70 119.67 2qbf s GLU 40 Ca 0.25 -0.19 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 2qbf s GLU 40 Cb -0.10 -3.35 0.17 0.00 0.10 0.00 0.00 34.13 30.96 2qbf s GLU 40 CO -0.11 0.45 0.49 0.34 0.02 0.00 0.00 175.26 176.45 2qbf s ASP 41 N -0.09 5.36 0.06 -0.19 3.68 -1.26 -0.21 116.67 124.02 2qbf s ASP 41 Ca 0.10 -2.93 0.17 0.00 2.13 0.00 0.00 52.55 52.02 2qbf s ASP 41 Cb -0.11 -1.88 0.72 0.00 -1.45 0.00 0.00 42.92 40.20 2qbf s ASP 41 CO -0.00 -0.36 1.53 0.79 0.13 0.00 0.00 175.17 177.26 2qbf n TRP 42 N 3.40 0.19 -3.94 -5.34 8.01 -1.02 -4.96 117.44 113.78 2qbf n TRP 42 Ca 0.09 0.08 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 2qbf n TRP 42 Cb 0.38 -0.62 0.00 0.00 -2.01 0.00 0.00 31.31 29.06 2qbf n TRP 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qbf n GLY 43 N 0.03 0.95 3.77 6.99 0.00 -1.15 -4.66 105.19 111.12 2qbf n GLY 43 Ca 0.03 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 2qbf n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbf s ARG 44 N 0.00 3.75 -0.25 1.61 3.52 -1.25 -2.42 118.95 123.91 2qbf s ARG 44 Ca 0.00 2.43 -0.23 0.00 -0.13 0.00 0.00 55.73 57.80 2qbf s ARG 44 Cb 0.00 -2.70 0.06 0.00 -1.56 0.00 0.00 34.95 30.76 2qbf s ARG 44 CO 0.00 -0.77 0.66 0.50 -0.81 0.00 0.00 175.30 174.87 2qbf s ARG 45 N -2.40 0.76 0.57 5.12 3.52 0.11 -4.93 118.95 121.71 2qbf s ARG 45 Ca 0.60 0.92 -0.20 0.00 -0.13 0.00 0.00 55.73 56.92 2qbf s ARG 45 Cb -0.44 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 2qbf s ARG 45 CO 0.57 -0.09 1.28 -1.14 -0.81 0.00 0.00 175.30 175.11 2qbf s GLN 46 N 0.40 3.02 0.05 5.12 2.00 -1.26 0.04 119.66 129.03 2qbf s GLN 46 Ca -0.00 2.04 0.01 0.00 -2.00 0.00 0.00 55.36 55.40 2qbf s GLN 46 Cb -0.05 -2.09 -0.04 0.00 0.80 0.00 0.00 33.01 31.64 2qbf s GLN 46 CO 0.00 -1.22 0.15 -0.51 -0.50 0.00 0.00 175.29 173.20 2qbf s LEU 47 N -3.82 4.12 0.25 3.68 1.43 0.30 -4.76 118.68 119.88 2qbf s LEU 47 Ca 0.75 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 2qbf s LEU 47 Cb -0.36 -2.69 0.30 0.00 0.03 0.00 0.00 46.19 43.47 2qbf s LEU 47 CO 0.40 0.19 1.77 0.00 0.23 0.00 0.00 176.35 178.94 2qbf h ALA 48 N 3.32 1.09 -2.75 4.21 0.00 -1.95 -3.44 119.26 119.74 2qbf h ALA 48 Ca -0.46 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 2qbf h ALA 48 Cb 1.17 -0.22 -0.19 0.00 0.00 0.00 0.00 17.79 18.54 2qbf h ALA 48 CO 0.70 0.59 -0.61 1.52 0.00 0.00 0.00 179.25 181.45 2qbf s TYR 49 N -5.12 0.24 -0.95 0.00 1.13 -1.26 -5.07 117.35 106.32 2qbf s TYR 49 Ca -0.10 -0.51 -0.23 0.00 -1.41 0.00 0.00 57.07 54.82 2qbf s TYR 49 Cb 0.15 -0.18 -0.13 0.00 -1.10 0.00 0.00 41.96 40.70 2qbf s TYR 49 CO 0.82 -0.28 1.92 -0.35 -2.51 0.00 0.00 175.55 175.15 2qbf n PRO 50 N 1.18 1.47 -1.62 -3.49 -0.04 -1.26 -4.86 135.00 126.38 2qbf n PRO 50 Ca -0.21 -2.12 -0.18 0.00 -0.04 0.00 0.00 63.50 60.95 2qbf n PRO 50 Cb 0.57 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 2qbf n PRO 50 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2qbf s ILE 51 N 8.23 3.06 -0.67 0.52 2.07 -1.25 -3.18 121.20 129.97 2qbf s ILE 51 Ca 0.64 -0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.80 2qbf s ILE 51 Cb 0.07 -3.13 0.00 0.00 0.13 0.00 0.00 42.46 39.53 2qbf s ILE 51 CO 0.14 -0.13 0.67 -3.20 -1.91 0.00 0.00 174.94 170.52 2qbf n ASN 52 N 17.77 -7.72 -1.34 4.50 5.15 -1.26 -4.80 115.26 127.55 2qbf n ASN 52 Ca 0.44 0.03 0.10 0.00 -0.60 0.00 0.00 54.58 54.56 2qbf n ASN 52 Cb 0.45 -5.18 -0.06 0.00 -0.53 0.00 0.00 39.78 34.46 2qbf n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qbf n LYS 53 N -1.46 -3.27 -1.73 1.20 4.76 -1.19 -5.03 118.16 111.44 2qbf n LYS 53 Ca 0.01 2.62 0.00 0.00 -2.87 0.00 0.00 58.31 58.08 2qbf n LYS 53 Cb 0.50 -3.56 0.00 0.00 -1.84 0.00 0.00 35.03 30.13 2qbf n LYS 53 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2qbf n LEU 54 N -3.55 -5.12 -1.33 -0.35 -0.00 -1.26 -4.87 117.00 100.52 2qbf n LEU 54 Ca -0.06 3.11 -0.08 0.00 -0.00 0.00 0.00 56.01 58.99 2qbf n LEU 54 Cb 0.56 -2.98 0.19 0.00 -0.00 0.00 0.00 43.42 41.18 2qbf n LEU 54 CO 0.02 -0.31 0.74 1.41 -0.00 0.00 0.00 177.39 179.25 2qbf n HIS 55 N 0.08 1.38 -3.64 1.96 8.25 -1.26 -3.97 115.22 118.02 2qbf n HIS 55 Ca 0.00 -1.70 -0.17 0.00 -0.26 0.00 0.00 57.72 55.59 2qbf n HIS 55 Cb 0.00 -0.56 -0.15 0.00 1.12 0.00 0.00 29.99 30.40 2qbf n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qbf s LYS 56 N -3.29 0.07 0.05 -0.41 3.01 -1.26 0.11 119.74 118.02 2qbf s LYS 56 Ca 0.47 0.51 0.00 0.00 -1.01 0.00 0.00 55.97 55.94 2qbf s LYS 56 Cb 0.42 -0.44 0.00 0.00 -1.01 0.00 0.00 37.83 36.80 2qbf s LYS 56 CO 0.01 -0.37 0.03 0.00 0.51 0.00 0.00 175.35 175.53 2qbf n ALA 57 N 5.33 0.07 -3.48 5.17 0.00 0.11 -4.14 120.51 123.56 2qbf n ALA 57 Ca -0.05 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 52.89 2qbf n ALA 57 Cb 0.50 0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 2qbf n ALA 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qbf s HIS 58 N -0.52 1.17 0.55 0.00 2.46 -0.89 0.08 115.29 118.14 2qbf s HIS 58 Ca 0.02 -2.10 -0.18 0.00 0.47 0.00 0.00 55.06 53.27 2qbf s HIS 58 Cb -0.00 -1.12 -0.05 0.00 -0.13 0.00 0.00 32.58 31.28 2qbf s HIS 58 CO 0.01 -0.81 1.06 0.71 -2.47 0.00 0.00 174.74 173.24 2qbf s TYR 59 N 0.43 2.97 -0.05 3.88 1.51 -1.02 -1.48 117.35 123.58 2qbf s TYR 59 Ca 0.25 1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 57.72 2qbf s TYR 59 Cb -0.11 -3.05 0.02 0.00 -0.11 0.00 0.00 41.96 38.72 2qbf s TYR 59 CO -0.09 -1.05 0.30 0.08 -1.11 0.00 0.00 175.55 173.68 2qbf s VAL 60 N -2.24 0.04 0.50 0.71 1.01 -0.78 -2.44 120.40 117.20 2qbf s VAL 60 Ca 0.65 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.41 2qbf s VAL 60 Cb -0.17 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.72 2qbf s VAL 60 CO 0.30 -0.17 0.63 -0.22 0.00 0.00 0.00 175.10 175.64 2qbf s LEU 61 N -0.74 3.28 0.34 3.92 1.98 0.71 -2.59 118.68 125.57 2qbf s LEU 61 Ca -0.08 -0.74 0.00 0.00 -2.89 0.00 0.00 54.13 50.42 2qbf s LEU 61 Cb -0.04 -1.97 0.00 0.00 0.66 0.00 0.00 46.19 44.84 2qbf s LEU 61 CO 0.03 -1.04 0.00 0.80 -1.89 0.00 0.00 176.35 174.24 2qbf n MET 62 N -1.98 0.00 -4.47 1.98 1.56 -0.76 -4.25 117.12 109.20 2qbf n MET 62 Ca 0.10 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.12 2qbf n MET 62 Cb 0.61 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.91 2qbf n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qbf n ASN 63 N -3.30 -2.18 -4.81 6.12 4.13 -1.15 -3.26 115.26 110.81 2qbf n ASN 63 Ca 0.00 -1.19 -0.37 0.00 1.68 0.00 0.00 54.58 54.70 2qbf n ASN 63 Cb 0.00 -1.88 -0.06 0.00 -1.54 0.00 0.00 39.78 36.30 2qbf n ASN 63 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2qbf s VAL 64 N -3.26 4.60 -0.43 2.41 1.01 -0.49 -3.51 120.40 120.73 2qbf s VAL 64 Ca 0.81 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.97 2qbf s VAL 64 Cb -0.47 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.09 2qbf s VAL 64 CO 1.01 0.33 0.29 -0.70 0.00 0.00 0.00 175.10 176.03 2qbf s GLU 65 N -1.67 2.69 0.23 2.72 2.12 -0.79 -1.01 118.70 122.99 2qbf s GLU 65 Ca 0.38 -1.43 -0.14 0.00 0.36 0.00 0.00 54.97 54.15 2qbf s GLU 65 Cb -0.18 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.35 2qbf s GLU 65 CO 0.21 -0.97 0.47 0.00 -0.54 0.00 0.00 175.26 174.44 2qbf s ALA 66 N 1.48 -0.38 0.23 6.30 0.00 0.35 -2.80 121.76 126.94 2qbf s ALA 66 Ca 0.03 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 2qbf s ALA 66 Cb -0.23 1.00 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 2qbf s ALA 66 CO 0.03 -0.83 1.44 -1.25 0.00 0.00 0.00 175.76 175.15 2qbf s PRO 67 N -3.98 4.27 0.52 0.00 0.04 -1.26 -1.43 135.00 133.16 2qbf s PRO 67 Ca 0.19 2.28 0.43 0.00 0.04 0.00 0.00 61.00 63.94 2qbf s PRO 67 Cb -0.00 -3.13 1.64 0.00 0.04 0.00 0.00 34.50 33.05 2qbf s PRO 67 CO 0.06 -0.42 1.59 -0.56 0.04 0.00 0.00 177.00 177.70 2qbf h GLN 68 N 5.29 0.01 0.10 4.56 3.07 -1.95 -2.04 115.11 124.16 2qbf h GLN 68 Ca -0.45 -0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.30 2qbf h GLN 68 Cb 1.22 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.73 2qbf h GLN 68 CO 0.79 0.01 -0.51 1.49 0.09 0.00 0.00 178.83 180.70 2qbf h GLU 69 N 0.01 -0.69 0.03 0.06 4.22 -1.99 0.26 114.58 116.48 2qbf h GLU 69 Ca 0.90 0.05 -0.00 0.00 0.08 0.00 0.00 59.36 60.38 2qbf h GLU 69 Cb 3.35 0.16 0.00 0.00 0.50 0.00 0.00 28.75 32.75 2qbf h GLU 69 CO -0.17 -0.46 -0.02 -0.39 -2.18 0.00 0.00 179.01 175.79 2qbf h VAL 70 N -0.72 1.15 -0.35 0.32 -1.51 -1.75 -1.67 116.25 111.72 2qbf h VAL 70 Ca -0.00 -0.56 0.10 0.00 -1.23 0.00 0.00 66.70 65.01 2qbf h VAL 70 Cb 0.73 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 2qbf h VAL 70 CO -0.29 0.14 0.29 0.16 -1.23 0.00 0.00 177.57 176.64 2qbf h ILE 71 N -0.29 0.65 -0.10 7.19 -0.00 -1.55 0.22 117.51 123.64 2qbf h ILE 71 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 64.86 64.72 2qbf h ILE 71 Cb 0.27 0.79 0.01 0.00 -0.00 0.00 0.00 36.82 37.88 2qbf h ILE 71 CO 0.01 0.00 -0.47 -0.78 -0.00 0.00 0.00 178.15 176.91 2qbf h ASP 72 N 0.00 0.58 -0.27 2.16 3.58 -0.61 -1.71 116.42 120.14 2qbf h ASP 72 Ca 0.17 -0.64 0.04 0.00 0.42 0.00 0.00 57.03 57.01 2qbf h ASP 72 Cb 0.74 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 2qbf h ASP 72 CO -0.00 1.13 0.01 -0.33 -2.88 0.00 0.00 179.24 177.17 2qbf h GLU 73 N 0.07 0.10 -0.85 0.28 5.08 0.23 -2.01 114.58 117.47 2qbf h GLU 73 Ca -0.03 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2qbf h GLU 73 Cb 1.12 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 2qbf h GLU 73 CO 0.10 0.06 0.53 1.25 -1.00 0.00 0.00 179.01 179.95 2qbf h LEU 74 N 0.10 0.83 -0.93 1.33 5.85 -0.70 -2.27 115.31 119.52 2qbf h LEU 74 Ca 0.13 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.98 2qbf h LEU 74 Cb 0.16 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 2qbf h LEU 74 CO -0.20 0.53 0.56 -0.33 -0.34 0.00 0.00 178.44 178.66 2qbf h GLU 75 N 0.96 0.86 -0.14 1.25 5.08 -0.55 -2.46 114.58 119.57 2qbf h GLU 75 Ca 0.37 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2qbf h GLU 75 Cb 0.17 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2qbf h GLU 75 CO -0.17 0.57 0.02 1.79 -1.00 0.00 0.00 179.01 180.21 2qbf h THR 76 N 0.88 1.22 -1.00 1.13 1.35 -1.21 -3.01 112.91 112.27 2qbf h THR 76 Ca 0.46 -0.72 0.22 0.00 -0.55 0.00 0.00 66.41 65.82 2qbf h THR 76 Cb 0.48 1.43 -0.10 0.00 -1.73 0.00 0.00 68.15 68.23 2qbf h THR 76 CO -0.27 0.21 0.62 0.71 -0.25 0.00 0.00 175.52 176.54 2qbf h THR 77 N 0.02 0.63 -0.64 6.82 1.35 -1.29 0.37 112.91 120.16 2qbf h THR 77 Ca 0.04 -0.20 0.13 0.00 -0.55 0.00 0.00 66.41 65.83 2qbf h THR 77 Cb 0.31 -0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.69 2qbf h THR 77 CO 0.00 0.11 0.43 -0.26 -0.25 0.00 0.00 175.52 175.55 2qbf h PHE 78 N 0.58 0.36 0.00 4.73 0.05 -1.37 -0.10 116.94 121.19 2qbf h PHE 78 Ca 0.58 0.01 -0.19 0.00 3.82 0.00 0.00 57.97 62.19 2qbf h PHE 78 Cb 1.16 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 38.96 2qbf h PHE 78 CO -0.00 0.15 -0.90 0.00 -0.18 0.00 0.00 178.31 177.38 2qbf h ARG 79 N 0.32 0.00 -1.06 1.51 2.47 -0.36 -3.28 114.38 113.99 2qbf h ARG 79 Ca 0.31 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.34 2qbf h ARG 79 Cb 0.75 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.78 2qbf h ARG 79 CO -0.08 0.90 0.84 1.19 0.56 0.00 0.00 179.97 183.39 2qbf n PHE 80 N -3.37 3.21 -3.14 3.04 3.72 -0.08 -4.61 117.46 116.24 2qbf n PHE 80 Ca 0.00 -2.97 -0.20 0.00 -0.05 0.00 0.00 57.45 54.23 2qbf n PHE 80 Cb 0.89 -1.41 -0.05 0.00 -0.94 0.00 0.00 39.48 37.97 2qbf n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2qbf n ASN 81 N -0.89 -1.10 -0.43 4.37 2.85 -1.02 -4.98 115.26 114.05 2qbf n ASN 81 Ca 0.62 -2.69 0.34 0.00 -0.11 0.00 0.00 54.58 52.74 2qbf n ASN 81 Cb 0.64 0.12 0.54 0.00 1.24 0.00 0.00 39.78 42.32 2qbf n ASN 81 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2qbf n ASP 82 N 2.25 0.06 -0.15 1.20 8.00 -1.26 0.90 116.55 127.55 2qbf n ASP 82 Ca 0.22 0.82 -0.06 0.00 0.71 0.00 0.00 54.79 56.49 2qbf n ASP 82 Cb 0.53 -0.41 0.03 0.00 -0.02 0.00 0.00 41.12 41.25 2qbf n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbf h ALA 83 N 0.89 0.58 -2.64 2.24 0.00 -1.94 -3.42 119.26 114.96 2qbf h ALA 83 Ca 0.65 0.01 -0.52 0.00 0.00 0.00 0.00 54.91 55.04 2qbf h ALA 83 Cb 2.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 20.06 2qbf h ALA 83 CO -0.15 -0.08 0.17 0.54 0.00 0.00 0.00 179.25 179.73 2qbf s VAL 84 N -6.14 4.42 0.00 0.00 0.11 0.26 -0.34 120.40 118.71 2qbf s VAL 84 Ca -0.13 1.58 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 2qbf s VAL 84 Cb 0.13 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 2qbf s VAL 84 CO 0.73 0.39 0.00 -0.38 -3.33 0.00 0.00 175.10 172.51 2qbf n ILE 85 N 1.24 0.00 -1.13 7.04 5.41 -0.52 -4.85 119.36 126.54 2qbf n ILE 85 Ca -0.04 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.35 2qbf n ILE 85 Cb 0.50 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.50 2qbf n ILE 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2qbf n ARG 86 N 0.00 0.13 -3.57 0.38 5.12 -1.26 -4.82 116.66 112.63 2qbf n ARG 86 Ca 0.00 0.08 -0.01 0.00 -1.93 0.00 0.00 57.85 55.99 2qbf n ARG 86 Cb 0.00 -1.75 -0.05 0.00 -1.16 0.00 0.00 32.46 29.51 2qbf n ARG 86 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2qbf s SER 87 N -1.55 -0.88 0.20 0.55 1.04 -1.26 -2.83 113.70 108.96 2qbf s SER 87 Ca 0.61 1.25 0.11 0.00 0.48 0.00 0.00 55.95 58.40 2qbf s SER 87 Cb -0.31 1.86 -0.04 0.00 0.10 0.00 0.00 66.02 67.63 2qbf s SER 87 CO 0.62 -0.18 -0.22 -0.32 0.98 0.00 0.00 173.24 174.12 2qbf s MET 88 N 2.41 1.48 -0.27 4.02 0.00 -0.86 -5.01 119.30 121.07 2qbf s MET 88 Ca -0.06 -1.53 -0.06 0.00 0.00 0.00 0.00 55.69 54.04 2qbf s MET 88 Cb -0.08 -1.70 0.14 0.00 0.00 0.00 0.00 34.83 33.18 2qbf s MET 88 CO -0.18 0.36 0.55 0.54 0.00 0.00 0.00 175.02 176.28 2qbf s VAL 89 N -1.88 -0.86 0.36 10.11 0.11 -1.26 -1.15 120.40 125.83 2qbf s VAL 89 Ca 0.21 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.35 2qbf s VAL 89 Cb -0.07 -0.89 0.06 0.00 -1.53 0.00 0.00 36.38 33.94 2qbf s VAL 89 CO 0.10 0.00 0.48 0.23 -3.33 0.00 0.00 175.10 172.58 2qbf n MET 90 N 5.42 0.77 -1.55 1.54 2.81 -1.26 -4.89 117.12 119.96 2qbf n MET 90 Ca -0.07 -1.95 -0.08 0.00 -1.81 0.00 0.00 57.70 53.79 2qbf n MET 90 Cb 0.50 -0.13 0.04 0.00 -0.71 0.00 0.00 33.22 32.92 2qbf n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qbf n ARG 91 N -1.76 0.58 0.00 0.03 1.85 -1.26 -2.65 116.66 113.46 2qbf n ARG 91 Ca 0.10 -1.12 0.00 0.00 -1.00 0.00 0.00 57.85 55.83 2qbf n ARG 91 Cb 0.37 -0.18 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 2qbf n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qbf n THR 92 N -1.73 0.00 -1.39 8.89 -1.04 0.30 -4.29 114.28 115.02 2qbf n THR 92 Ca 0.06 0.09 -0.04 0.00 -2.04 0.00 0.00 64.05 62.13 2qbf n THR 92 Cb 0.23 -0.64 -0.01 0.00 -1.82 0.00 0.00 70.33 68.09 2qbf n THR 92 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2qbf n LYS 93 N 0.00 -0.26 -1.43 -2.82 4.81 -1.26 -4.58 118.16 112.62 2qbf n LYS 93 Ca 0.00 0.49 -0.00 0.00 -0.87 0.00 0.00 58.31 57.93 2qbf n LYS 93 Cb 0.00 -4.15 -0.00 0.00 0.02 0.00 0.00 35.03 30.89 2qbf n LYS 93 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2qbf n HIS 94 N -3.23 -1.31 -0.37 5.64 8.25 -1.26 -4.89 115.22 118.04 2qbf n HIS 94 Ca -0.04 0.78 -0.15 0.00 -0.26 0.00 0.00 57.72 58.05 2qbf n HIS 94 Cb 0.24 -2.46 -0.02 0.00 1.12 0.00 0.00 29.99 28.87 2qbf n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbf n ALA 95 N 0.50 -0.78 -2.83 -1.41 0.00 -1.26 -4.94 120.51 109.79 2qbf n ALA 95 Ca -0.02 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 2qbf n ALA 95 Cb 0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 2qbf n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qbf s VAL 96 N 0.34 4.87 -0.26 0.00 1.01 -1.26 -5.11 120.40 119.99 2qbf s VAL 96 Ca 0.23 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2qbf s VAL 96 Cb -0.32 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2qbf s VAL 96 CO 0.16 0.16 0.59 -0.89 0.00 0.00 0.00 175.10 175.12 2qbf s THR 97 N -1.41 -0.50 0.00 3.92 2.01 -1.26 -4.43 115.64 113.98 2qbf s THR 97 Ca 0.31 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2qbf s THR 97 Cb -0.12 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.50 2qbf s THR 97 CO 0.23 0.02 0.00 1.21 -0.69 0.00 0.00 174.62 175.39 2qbf n GLU 98 N 4.93 0.00 0.00 4.92 0.00 -1.26 -5.05 120.64 124.17 2qbf n GLU 98 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.01 2qbf n GLU 98 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.97 2qbf n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbf n ALA 99 N -0.50 0.00 -0.92 4.31 0.00 -1.26 -5.14 120.51 117.00 2qbf n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbf n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbf n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93