#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s ILE 6 N 0.00 1.30 0.24 8.89 1.01 -1.18 -4.85 121.20 126.62 2qbh s ILE 6 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 2qbh s ILE 6 Cb 0.00 -1.24 -0.09 0.00 0.01 0.00 0.00 42.46 41.15 2qbh s ILE 6 CO 0.00 0.41 0.82 -0.13 0.00 0.00 0.00 174.94 176.04 2qbh s ARG 7 N 1.29 4.48 -0.45 2.79 0.52 0.19 -2.29 118.95 125.47 2qbh s ARG 7 Ca -0.01 1.13 0.03 0.00 -0.52 0.00 0.00 55.73 56.35 2qbh s ARG 7 Cb -0.14 -2.97 0.13 0.00 0.52 0.00 0.00 34.95 32.50 2qbh s ARG 7 CO -0.05 0.40 0.23 0.42 0.02 0.00 0.00 175.30 176.32 2qbh s ILE 8 N -1.45 1.74 -0.57 1.52 1.09 -1.12 -0.54 121.20 121.88 2qbh s ILE 8 Ca 0.44 -2.70 -0.27 0.00 -1.10 0.00 0.00 60.65 57.01 2qbh s ILE 8 Cb -0.19 -2.23 0.00 0.00 -1.06 0.00 0.00 42.46 38.98 2qbh s ILE 8 CO 0.24 -0.85 1.56 -0.13 -0.10 0.00 0.00 174.94 175.66 2qbh s ARG 9 N 0.26 3.10 -0.16 2.79 1.81 -0.94 -4.10 118.95 121.71 2qbh s ARG 9 Ca 0.17 0.51 -0.07 0.00 -1.72 0.00 0.00 55.73 54.62 2qbh s ARG 9 Cb -0.24 -4.21 -0.04 0.00 -0.45 0.00 0.00 34.95 30.00 2qbh s ARG 9 CO -0.01 -2.18 0.07 -0.51 -0.68 0.00 0.00 175.30 171.99 2qbh s LEU 10 N 6.94 3.90 -0.07 2.53 1.43 0.51 -0.38 118.68 133.54 2qbh s LEU 10 Ca 0.57 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2qbh s LEU 10 Cb -0.12 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.17 2qbh s LEU 10 CO 0.23 0.23 0.13 -0.54 0.23 0.00 0.00 176.35 176.64 2qbh s LYS 11 N 0.01 0.03 0.15 1.70 1.02 -0.95 -0.46 119.74 121.24 2qbh s LYS 11 Ca 0.06 0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.54 2qbh s LYS 11 Cb -0.12 -0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 36.87 2qbh s LYS 11 CO 0.01 -0.26 -0.03 0.00 -0.92 0.00 0.00 175.35 174.14 2qbh s ALA 12 N 1.87 1.26 -2.07 5.17 0.00 -0.83 -1.21 121.76 125.96 2qbh s ALA 12 Ca -0.01 -1.51 0.14 0.00 0.00 0.00 0.00 51.96 50.58 2qbh s ALA 12 Cb -0.12 0.35 0.43 0.00 0.00 0.00 0.00 23.12 23.78 2qbh s ALA 12 CO -0.05 -0.26 1.34 1.19 0.00 0.00 0.00 175.76 177.98 2qbh n PHE 13 N -0.18 0.44 -3.56 0.00 0.99 -1.26 -1.01 117.46 112.88 2qbh n PHE 13 Ca -0.09 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.45 57.13 2qbh n PHE 13 Cb 0.62 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 39.05 2qbh n PHE 13 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2qbh s ASP 14 N -1.13 -0.75 0.36 4.37 1.47 -1.26 -4.75 116.67 114.99 2qbh s ASP 14 Ca 0.27 1.09 0.18 0.00 1.18 0.00 0.00 52.55 55.27 2qbh s ASP 14 Cb 0.14 1.65 1.17 0.00 -0.34 0.00 0.00 42.92 45.54 2qbh s ASP 14 CO 0.19 -0.16 1.65 1.12 0.68 0.00 0.00 175.17 178.66 2qbh h HIS 15 N 7.16 0.84 0.16 2.11 2.07 -1.92 -0.73 115.15 124.84 2qbh h HIS 15 Ca -0.22 0.03 0.01 0.00 -2.85 0.00 0.00 60.37 57.35 2qbh h HIS 15 Cb 1.15 -0.22 -0.04 0.00 2.57 0.00 0.00 27.41 30.87 2qbh h HIS 15 CO 0.15 -0.20 -0.51 0.00 -3.07 0.00 0.00 177.93 174.29 2qbh h ARG 16 N 0.26 -0.74 -0.02 5.12 3.08 -1.99 0.30 114.38 120.38 2qbh h ARG 16 Ca 0.75 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.87 2qbh h ARG 16 Cb 1.87 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 32.06 2qbh h ARG 16 CO -0.58 -0.49 -0.08 1.25 -1.07 0.00 0.00 179.97 179.00 2qbh h LEU 17 N -0.76 -0.25 -1.02 3.04 6.46 -1.58 -2.75 115.31 118.46 2qbh h LEU 17 Ca -0.01 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2qbh h LEU 17 Cb 0.75 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.76 2qbh h LEU 17 CO -0.25 -0.12 0.38 -0.29 -0.62 0.00 0.00 178.44 177.54 2qbh h ILE 18 N -0.14 1.23 0.17 4.05 2.10 -1.23 -2.61 117.51 121.09 2qbh h ILE 18 Ca 0.04 -0.63 -0.00 0.00 1.08 0.00 0.00 64.86 65.34 2qbh h ILE 18 Cb 0.19 0.24 -0.00 0.00 -1.09 0.00 0.00 36.82 36.16 2qbh h ILE 18 CO -0.10 0.27 -0.10 0.44 -1.08 0.00 0.00 178.15 177.58 2qbh h ASP 19 N 1.07 -0.26 -0.95 2.19 3.45 -0.20 0.53 116.42 122.26 2qbh h ASP 19 Ca 0.27 0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.79 2qbh h ASP 19 Cb 0.08 0.08 -0.06 0.00 -0.56 0.00 0.00 39.33 38.87 2qbh h ASP 19 CO -0.04 -0.17 0.61 1.56 -1.57 0.00 0.00 179.24 179.64 2qbh h GLN 20 N -0.26 1.13 -0.16 3.56 4.20 -1.39 0.13 115.11 122.31 2qbh h GLN 20 Ca -0.01 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2qbh h GLN 20 Cb 0.22 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2qbh h GLN 20 CO 0.02 0.75 -0.28 0.00 -0.67 0.00 0.00 178.83 178.64 2qbh h ALA 21 N 1.40 1.22 0.29 3.87 0.00 -1.16 -2.31 119.26 122.59 2qbh h ALA 21 Ca 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qbh h ALA 21 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qbh h ALA 21 CO -0.14 0.51 -0.14 1.15 0.00 0.00 0.00 179.25 180.63 2qbh h THR 22 N 0.27 0.44 -0.73 0.00 2.02 0.43 -2.97 112.91 112.37 2qbh h THR 22 Ca 0.04 -0.83 0.16 0.00 0.77 0.00 0.00 66.41 66.55 2qbh h THR 22 Cb 0.64 0.73 -0.12 0.00 -1.74 0.00 0.00 68.15 67.66 2qbh h THR 22 CO 0.05 0.11 0.11 0.00 0.37 0.00 0.00 175.52 176.16 2qbh h ALA 23 N -0.68 0.88 0.37 6.16 0.00 -0.80 0.47 119.26 125.65 2qbh h ALA 23 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qbh h ALA 23 Cb 0.48 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2qbh h ALA 23 CO 0.07 -0.38 -0.38 1.49 0.00 0.00 0.00 179.25 180.04 2qbh h GLU 24 N 0.20 -0.72 -0.61 0.00 4.81 -1.48 0.65 114.58 117.42 2qbh h GLU 24 Ca 0.41 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.82 2qbh h GLU 24 Cb 0.72 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.15 2qbh h GLU 24 CO -0.56 -0.48 -0.03 0.82 -0.73 0.00 0.00 179.01 178.02 2qbh h ILE 25 N -0.75 0.47 0.52 2.32 2.04 -1.23 -0.71 117.51 120.17 2qbh h ILE 25 Ca -0.05 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2qbh h ILE 25 Cb 0.66 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2qbh h ILE 25 CO -0.06 0.02 -0.32 0.58 0.00 0.00 0.00 178.15 178.37 2qbh h VAL 26 N 0.09 0.00 -0.71 1.67 2.07 -0.50 -0.57 116.25 118.29 2qbh h VAL 26 Ca 0.31 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.95 2qbh h VAL 26 Cb 0.50 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 2qbh h VAL 26 CO -0.55 0.00 -0.38 -0.08 0.02 0.00 0.00 177.57 176.59 2qbh h GLU 27 N -0.78 -0.12 0.64 1.57 4.81 0.72 -1.62 114.58 119.80 2qbh h GLU 27 Ca -0.07 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2qbh h GLU 27 Cb 0.62 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2qbh h GLU 27 CO 0.07 -0.08 -0.41 1.79 -0.73 0.00 0.00 179.01 179.65 2qbh h THR 28 N -0.13 0.17 -1.00 0.32 1.35 -1.11 -2.91 112.91 109.60 2qbh h THR 28 Ca 0.25 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.39 2qbh h THR 28 Cb 0.56 0.17 -0.14 0.00 -1.73 0.00 0.00 68.15 67.02 2qbh h THR 28 CO -0.77 0.00 0.58 0.00 -0.25 0.00 0.00 175.52 175.08 2qbh h ALA 29 N -0.74 1.86 0.41 6.62 0.00 -0.53 -1.86 119.26 125.02 2qbh h ALA 29 Ca -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qbh h ALA 29 Cb 0.81 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qbh h ALA 29 CO 0.07 -0.42 -0.20 0.87 0.00 0.00 0.00 179.25 179.57 2qbh h LYS 30 N 0.45 -0.53 -2.85 0.00 1.57 -1.12 -3.14 116.57 110.95 2qbh h LYS 30 Ca 0.69 0.04 -0.72 0.00 -1.87 0.00 0.00 60.65 58.79 2qbh h LYS 30 Cb 1.44 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.81 2qbh h LYS 30 CO -0.54 -0.32 2.92 2.89 -0.57 0.00 0.00 179.45 183.83 2qbh n ARG 31 N -5.30 4.18 0.00 3.15 1.85 -0.70 -3.30 116.66 116.54 2qbh n ARG 31 Ca -0.11 -3.01 0.00 0.00 -1.00 0.00 0.00 57.85 53.73 2qbh n ARG 31 Cb 0.25 -2.73 0.00 0.00 -1.05 0.00 0.00 32.46 28.93 2qbh n ARG 31 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2qbh n THR 32 N 2.57 0.00 0.00 8.89 5.66 -1.23 -4.97 114.28 125.19 2qbh n THR 32 Ca 0.66 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.66 2qbh n THR 32 Cb 0.25 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 2qbh n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbh n GLY 33 N 0.00 0.95 3.03 1.09 0.00 -1.21 -4.35 105.19 104.71 2qbh n GLY 33 Ca 0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2qbh n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbh n ALA 34 N 0.00 -5.31 -0.03 4.61 0.00 -1.19 -4.94 120.51 113.65 2qbh n ALA 34 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 53.44 52.73 2qbh n ALA 34 Cb 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 2qbh n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbh n GLN 35 N 2.16 0.91 -1.01 0.00 10.64 -1.06 -4.28 117.38 124.74 2qbh n GLN 35 Ca -0.01 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2qbh n GLN 35 Cb 0.57 -1.37 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 2qbh n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2qbh n VAL 36 N -2.23 -3.71 -0.47 -0.39 0.31 -1.26 -4.71 118.33 105.87 2qbh n VAL 36 Ca -0.11 1.51 -0.16 0.00 -0.01 0.00 0.00 64.34 65.57 2qbh n VAL 36 Cb 0.62 -2.15 0.10 0.00 -0.91 0.00 0.00 33.84 31.49 2qbh n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qbh n ARG 37 N -0.66 1.81 -1.40 5.55 3.00 -0.75 -4.72 116.66 119.48 2qbh n ARG 37 Ca 0.00 -1.87 0.00 0.00 -0.00 0.00 0.00 57.85 55.98 2qbh n ARG 37 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 30.73 2qbh n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbh n GLY 38 N -0.43 -4.03 3.66 5.14 0.00 -1.26 -4.77 105.19 103.51 2qbh n GLY 38 Ca 0.37 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2qbh n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbh s PRO 39 N -5.03 4.19 -0.16 1.61 0.04 -1.26 -4.06 135.00 130.32 2qbh s PRO 39 Ca 0.00 1.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 2qbh s PRO 39 Cb 0.00 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 2qbh s PRO 39 CO 0.00 -0.80 0.09 0.42 0.04 0.00 0.00 177.00 176.75 2qbh s ILE 40 N 3.82 5.01 -0.09 0.56 1.01 -1.26 -4.89 121.20 125.36 2qbh s ILE 40 Ca 0.64 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 2qbh s ILE 40 Cb -0.27 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 2qbh s ILE 40 CO 0.22 0.50 0.38 1.55 0.00 0.00 0.00 174.94 177.59 2qbh h PRO 41 N 6.21 -0.09 -2.00 2.79 0.13 -1.95 -1.87 132.00 135.21 2qbh h PRO 41 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2qbh h PRO 41 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qbh h PRO 41 CO 0.68 0.21 -0.51 1.28 -0.23 0.00 0.00 178.00 179.43 2qbh n LEU 42 N -4.81 -1.07 -4.68 1.56 4.32 -1.26 -4.18 117.00 106.88 2qbh n LEU 42 Ca -0.04 1.56 -0.45 0.00 -0.02 0.00 0.00 56.01 57.06 2qbh n LEU 42 Cb 0.17 -1.21 -0.04 0.00 -1.62 0.00 0.00 43.42 40.73 2qbh n LEU 42 CO 0.13 -0.28 1.37 -0.81 -1.22 0.00 0.00 177.39 176.59 2qbh n PRO 43 N -1.83 2.43 -2.84 3.23 -0.04 -1.26 -4.72 135.00 129.96 2qbh n PRO 43 Ca 0.00 0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 63.91 2qbh n PRO 43 Cb 0.20 -2.72 -0.04 0.00 -0.04 0.00 0.00 33.50 30.90 2qbh n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qbh s THR 44 N 2.29 4.41 0.65 0.52 2.01 -1.26 -4.88 115.64 119.37 2qbh s THR 44 Ca 0.83 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 2qbh s THR 44 Cb -0.60 -4.52 -0.00 0.00 0.01 0.00 0.00 72.50 67.38 2qbh s THR 44 CO 0.40 -1.08 1.19 -0.13 -0.69 0.00 0.00 174.62 174.31 2qbh s ARG 45 N 3.90 2.66 -0.19 4.92 0.52 -1.24 -4.81 118.95 124.71 2qbh s ARG 45 Ca 0.31 1.72 -0.04 0.00 -0.52 0.00 0.00 55.73 57.19 2qbh s ARG 45 Cb -0.12 -1.90 0.09 0.00 0.52 0.00 0.00 34.95 33.53 2qbh s ARG 45 CO 0.20 -1.42 0.21 -1.59 0.02 0.00 0.00 175.30 172.71 2qbh s LYS 46 N -3.67 0.17 -0.12 3.54 -2.85 -1.26 -2.04 119.74 113.50 2qbh s LYS 46 Ca 0.74 0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 55.64 2qbh s LYS 46 Cb -0.28 -1.17 -0.01 0.00 -2.06 0.00 0.00 37.83 34.31 2qbh s LYS 46 CO 0.39 -0.63 0.98 -1.21 0.10 0.00 0.00 175.35 174.98 2qbh s GLU 47 N 2.31 4.39 0.17 1.78 8.01 -1.05 -4.87 118.70 129.44 2qbh s GLU 47 Ca 0.06 1.33 0.04 0.00 0.01 0.00 0.00 54.97 56.42 2qbh s GLU 47 Cb -0.15 -3.55 -0.04 0.00 -4.31 0.00 0.00 34.13 26.08 2qbh s GLU 47 CO -0.11 -0.33 0.18 1.03 0.01 0.00 0.00 175.26 176.03 2qbh s ARG 48 N 2.10 3.05 -0.04 1.61 0.52 -1.26 -1.16 118.95 123.78 2qbh s ARG 48 Ca 0.46 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2qbh s ARG 48 Cb -0.18 -2.73 0.03 0.00 0.52 0.00 0.00 34.95 32.60 2qbh s ARG 48 CO 0.16 0.49 0.07 -0.06 0.02 0.00 0.00 175.30 175.98 2qbh s PHE 49 N -1.77 -0.01 -0.14 -0.53 0.40 0.39 -4.96 117.98 111.35 2qbh s PHE 49 Ca 0.32 0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.89 2qbh s PHE 49 Cb -0.10 -0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 2qbh s PHE 49 CO 0.25 -0.14 -0.06 0.99 0.70 0.00 0.00 175.22 176.95 2qbh s THR 50 N 1.44 3.67 -0.17 0.64 2.01 -1.25 -0.12 115.64 121.86 2qbh s THR 50 Ca -0.05 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 2qbh s THR 50 Cb -0.12 -2.58 0.06 0.00 0.01 0.00 0.00 72.50 69.87 2qbh s THR 50 CO -0.04 0.52 0.40 0.54 -0.69 0.00 0.00 174.62 175.35 2qbh s VAL 51 N 0.20 -0.06 -0.19 3.82 0.11 -0.55 -4.88 120.40 118.86 2qbh s VAL 51 Ca -0.04 0.10 -0.32 0.00 -2.93 0.00 0.00 61.98 58.79 2qbh s VAL 51 Cb -0.14 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 2qbh s VAL 51 CO 0.03 0.04 2.08 0.18 -3.33 0.00 0.00 175.10 174.10 2qbh n LEU 52 N 4.32 3.12 0.23 2.54 4.32 -1.26 -0.16 117.00 130.12 2qbh n LEU 52 Ca -0.23 0.58 -0.15 0.00 -0.02 0.00 0.00 56.01 56.19 2qbh n LEU 52 Cb 0.55 -1.42 -0.08 0.00 -1.62 0.00 0.00 43.42 40.85 2qbh n LEU 52 CO 0.08 -0.40 0.65 -0.29 -1.22 0.00 0.00 177.39 176.21 2qbh h ILE 53 N 6.43 0.59 -3.57 -0.08 2.10 -1.84 -3.44 117.51 117.71 2qbh h ILE 53 Ca -0.41 -0.22 -0.52 0.00 1.08 0.00 0.00 64.86 64.80 2qbh h ILE 53 Cb 1.27 0.70 0.03 0.00 -1.09 0.00 0.00 36.82 37.73 2qbh h ILE 53 CO 0.97 0.04 0.60 -0.55 -1.08 0.00 0.00 178.15 178.14 2qbh s SER 54 N -4.79 6.96 -0.02 2.19 0.15 -1.26 -5.00 113.70 111.94 2qbh s SER 54 Ca -0.15 2.41 -0.30 0.00 0.70 0.00 0.00 55.95 58.60 2qbh s SER 54 Cb 0.03 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2qbh s SER 54 CO 0.60 -0.44 0.98 -2.16 1.20 0.00 0.00 173.24 173.42 2qbh s PRO 55 N -0.67 4.54 0.26 5.44 0.04 -1.26 -4.75 135.00 138.59 2qbh s PRO 55 Ca 0.53 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2qbh s PRO 55 Cb -0.36 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2qbh s PRO 55 CO 0.41 -0.09 0.00 1.58 0.04 0.00 0.00 177.00 178.94 2qbh n HIS 56 N 4.07 -2.92 -0.96 0.56 -0.00 -1.26 -4.97 115.22 109.74 2qbh n HIS 56 Ca 0.06 1.53 0.07 0.00 -0.00 0.00 0.00 57.72 59.39 2qbh n HIS 56 Cb 0.51 -2.79 -0.02 0.00 -0.00 0.00 0.00 29.99 27.69 2qbh n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2qbh n VAL 57 N -0.15 0.00 -2.50 3.57 3.14 -1.26 -4.97 118.33 116.16 2qbh n VAL 57 Ca 0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qbh n VAL 57 Cb 0.00 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 2qbh n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qbh n ASN 58 N -4.25 -5.70 0.21 6.55 3.02 -1.26 -4.85 115.26 108.97 2qbh n ASN 58 Ca 0.00 -0.06 0.07 0.00 -0.03 0.00 0.00 54.58 54.56 2qbh n ASN 58 Cb 0.25 -3.76 0.46 0.00 -0.61 0.00 0.00 39.78 36.11 2qbh n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qbh h LYS 59 N 0.26 0.00 0.00 3.52 2.10 -1.95 -2.47 116.57 118.03 2qbh h LYS 59 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2qbh h LYS 59 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2qbh h LYS 59 CO 0.20 0.30 0.00 -0.25 -2.00 0.00 0.00 179.45 177.69 2qbh n ASP 60 N -3.76 0.00 0.00 7.07 9.92 -1.26 -4.18 116.55 124.34 2qbh n ASP 60 Ca -0.01 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.58 2qbh n ASP 60 Cb 0.39 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 2qbh n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qbh n ALA 61 N -1.03 0.00 -1.22 2.24 0.00 -0.93 -5.02 120.51 114.55 2qbh n ALA 61 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.75 2qbh n ALA 61 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 2qbh n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbh n ARG 62 N -0.12 -2.37 -3.58 0.00 5.12 -1.25 -4.70 116.66 109.75 2qbh n ARG 62 Ca 0.00 1.75 -0.14 0.00 -1.93 0.00 0.00 57.85 57.54 2qbh n ARG 62 Cb 0.00 -2.95 -0.06 0.00 -1.16 0.00 0.00 32.46 28.29 2qbh n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qbh s ASP 63 N -6.15 -0.58 -0.26 0.55 -1.08 0.78 -3.92 116.67 106.02 2qbh s ASP 63 Ca 0.00 0.86 -0.08 0.00 -0.52 0.00 0.00 52.55 52.81 2qbh s ASP 63 Cb 0.00 0.79 -0.04 0.00 -1.46 0.00 0.00 42.92 42.21 2qbh s ASP 63 CO 0.00 -0.37 0.11 -1.10 0.52 0.00 0.00 175.17 174.33 2qbh s GLN 64 N -0.50 3.75 -0.00 4.34 -1.52 -1.26 -1.48 119.66 123.00 2qbh s GLN 64 Ca -0.03 -0.43 0.07 0.00 -1.95 0.00 0.00 55.36 53.02 2qbh s GLN 64 Cb -0.02 -3.43 -0.02 0.00 -0.22 0.00 0.00 33.01 29.31 2qbh s GLN 64 CO 0.03 -0.18 -0.23 0.71 -0.25 0.00 0.00 175.29 175.36 2qbh s TYR 65 N 1.66 2.08 -0.02 0.91 4.12 0.83 -4.96 117.35 121.96 2qbh s TYR 65 Ca 0.07 -0.39 -0.04 0.00 0.02 0.00 0.00 57.07 56.72 2qbh s TYR 65 Cb -0.15 -1.31 0.00 0.00 -1.52 0.00 0.00 41.96 38.98 2qbh s TYR 65 CO 0.06 -0.00 0.10 -1.83 0.02 0.00 0.00 175.55 173.89 2qbh s GLU 66 N -0.70 0.26 -0.27 -0.62 -1.05 -1.26 0.15 118.70 115.20 2qbh s GLU 66 Ca 0.09 -0.13 0.03 0.00 -0.15 0.00 0.00 54.97 54.81 2qbh s GLU 66 Cb -0.09 0.11 0.07 0.00 -0.44 0.00 0.00 34.13 33.78 2qbh s GLU 66 CO -0.00 -0.05 -0.08 0.42 0.95 0.00 0.00 175.26 176.50 2qbh s ILE 67 N -0.60 2.15 -0.36 1.83 1.01 -0.31 -5.00 121.20 119.93 2qbh s ILE 67 Ca -0.07 -1.74 -0.22 0.00 0.00 0.00 0.00 60.65 58.62 2qbh s ILE 67 Cb -0.04 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.11 2qbh s ILE 67 CO 0.00 -0.14 0.73 -0.13 0.00 0.00 0.00 174.94 175.41 2qbh s ARG 68 N 1.08 3.73 -0.51 2.79 0.52 -1.26 -2.54 118.95 122.77 2qbh s ARG 68 Ca -0.05 0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.27 2qbh s ARG 68 Cb -0.20 -3.81 0.13 0.00 0.52 0.00 0.00 34.95 31.60 2qbh s ARG 68 CO -0.06 -0.80 0.41 0.99 0.02 0.00 0.00 175.30 175.86 2qbh s THR 69 N 2.94 4.51 0.67 0.02 2.01 -0.87 -4.35 115.64 120.58 2qbh s THR 69 Ca 0.29 -1.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.39 2qbh s THR 69 Cb -0.14 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2qbh s THR 69 CO 0.16 -0.82 1.05 -1.00 -0.69 0.00 0.00 174.62 173.32 2qbh s HIS 70 N 1.32 3.22 0.07 4.92 0.09 -0.18 -3.71 115.29 121.02 2qbh s HIS 70 Ca 0.06 1.40 -0.07 0.00 -0.00 0.00 0.00 55.06 56.45 2qbh s HIS 70 Cb -0.26 -2.85 -0.01 0.00 -0.00 0.00 0.00 32.58 29.46 2qbh s HIS 70 CO -0.00 -1.10 0.13 -0.48 -0.00 0.00 0.00 174.74 173.29 2qbh s LEU 71 N -5.40 1.68 -0.01 0.89 2.34 -1.26 -1.97 118.68 114.95 2qbh s LEU 71 Ca 0.58 -0.68 -0.02 0.00 0.06 0.00 0.00 54.13 54.07 2qbh s LEU 71 Cb -0.13 0.81 0.00 0.00 -0.56 0.00 0.00 46.19 46.30 2qbh s LEU 71 CO 0.54 -0.66 0.04 -0.13 -1.06 0.00 0.00 176.35 175.07 2qbh s ARG 72 N -3.60 0.10 -0.26 1.48 1.81 0.39 -4.53 118.95 114.35 2qbh s ARG 72 Ca 0.03 -0.05 -0.15 0.00 -1.72 0.00 0.00 55.73 53.85 2qbh s ARG 72 Cb 0.04 0.04 -0.11 0.00 -0.45 0.00 0.00 34.95 34.48 2qbh s ARG 72 CO -0.09 -0.02 -0.36 -0.11 -0.68 0.00 0.00 175.30 174.04 2qbh n LEU 73 N 2.80 1.95 0.00 2.53 -0.00 -0.70 -0.37 117.00 123.21 2qbh n LEU 73 Ca -0.14 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 2qbh n LEU 73 Cb 0.59 -0.80 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2qbh n LEU 73 CO 0.24 0.43 0.00 0.52 -0.00 0.00 0.00 177.39 178.58 2qbh n VAL 74 N -4.28 0.00 -2.65 1.96 0.31 -1.26 -2.79 118.33 109.62 2qbh n VAL 74 Ca -0.47 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 63.81 2qbh n VAL 74 Cb 0.82 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.72 2qbh n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbh n ASP 75 N 2.90 -2.57 -4.83 4.52 -0.08 -1.26 -3.62 116.55 111.60 2qbh n ASP 75 Ca 0.00 1.33 -0.33 0.00 -1.51 0.00 0.00 54.79 54.28 2qbh n ASP 75 Cb 0.00 -4.48 -0.06 0.00 2.34 0.00 0.00 41.12 38.91 2qbh n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2qbh s ILE 76 N -0.52 4.54 0.22 5.18 -5.25 -0.97 -1.81 121.20 122.59 2qbh s ILE 76 Ca -0.20 1.22 0.07 0.00 -0.99 0.00 0.00 60.65 60.74 2qbh s ILE 76 Cb 0.01 -3.65 -0.04 0.00 2.95 0.00 0.00 42.46 41.74 2qbh s ILE 76 CO 0.55 -0.19 0.14 -0.69 -1.79 0.00 0.00 174.94 172.96 2qbh s VAL 77 N -2.00 4.31 -0.84 8.37 1.01 -1.26 0.14 120.40 130.13 2qbh s VAL 77 Ca 0.56 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2qbh s VAL 77 Cb -0.11 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2qbh s VAL 77 CO 0.16 -0.25 0.71 -0.62 0.00 0.00 0.00 175.10 175.09 2qbh n GLU 78 N -0.80 -1.44 -1.96 2.72 4.71 -1.26 -2.57 120.64 120.05 2qbh n GLU 78 Ca -0.08 1.13 -0.41 0.00 -0.01 0.00 0.00 57.16 57.79 2qbh n GLU 78 Cb 0.57 -4.69 -0.02 0.00 -1.01 0.00 0.00 31.44 26.29 2qbh n GLU 78 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2qbh s PRO 79 N -3.98 4.23 0.08 3.49 0.04 -1.26 -3.36 135.00 134.24 2qbh s PRO 79 Ca 0.10 2.37 0.06 0.00 0.04 0.00 0.00 61.00 63.57 2qbh s PRO 79 Cb -0.03 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2qbh s PRO 79 CO 0.80 -0.45 -0.07 0.99 0.04 0.00 0.00 177.00 178.31 2qbh s THR 80 N -0.23 3.59 0.18 1.26 2.01 -1.26 -4.96 115.64 116.23 2qbh s THR 80 Ca 0.58 -1.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.34 2qbh s THR 80 Cb -0.43 -2.67 0.11 0.00 0.01 0.00 0.00 72.50 69.52 2qbh s THR 80 CO 0.47 0.16 1.70 -0.08 -0.69 0.00 0.00 174.62 176.18 2qbh h GLU 81 N 3.72 0.15 -0.10 4.92 4.22 -1.95 0.12 114.58 125.67 2qbh h GLU 81 Ca -0.48 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 58.81 2qbh h GLU 81 Cb 1.17 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.39 2qbh h GLU 81 CO 0.54 0.10 -0.46 1.57 -2.18 0.00 0.00 179.01 178.58 2qbh h LYS 82 N 0.15 0.48 -0.31 1.92 2.10 -1.96 -3.25 116.57 115.71 2qbh h LYS 82 Ca 0.24 -0.39 0.03 0.00 -2.00 0.00 0.00 60.65 58.53 2qbh h LYS 82 Cb 0.35 0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.73 2qbh h LYS 82 CO -0.37 1.02 0.11 1.15 -2.00 0.00 0.00 179.45 179.36 2qbh h THR 83 N 0.06 0.92 -0.71 0.07 2.02 -1.64 0.74 112.91 114.37 2qbh h THR 83 Ca -0.03 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.09 2qbh h THR 83 Cb 1.11 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 2qbh h THR 83 CO 0.10 0.05 0.45 0.58 0.37 0.00 0.00 175.52 177.06 2qbh h VAL 84 N 0.25 1.12 -0.20 3.16 2.07 -0.89 -1.02 116.25 120.74 2qbh h VAL 84 Ca 0.14 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qbh h VAL 84 Cb 0.10 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2qbh h VAL 84 CO -0.13 0.16 0.00 0.47 0.02 0.00 0.00 177.57 178.09 2qbh n ASP 85 N -4.64 1.48 0.09 0.57 8.00 -1.08 -3.66 116.55 117.33 2qbh n ASP 85 Ca 0.07 -1.78 0.12 0.00 0.71 0.00 0.00 54.79 53.91 2qbh n ASP 85 Cb 0.06 -0.13 0.16 0.00 -0.02 0.00 0.00 41.12 41.20 2qbh n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbh h ALA 86 N 3.83 0.66 -0.00 2.24 0.00 0.55 -3.25 119.26 123.30 2qbh h ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbh h ALA 86 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qbh h ALA 86 CO 0.00 0.00 -0.15 1.28 0.00 0.00 0.00 179.25 180.38 2qbh n LEU 87 N -2.37 0.28 0.20 0.00 7.99 -1.23 -3.22 117.00 118.64 2qbh n LEU 87 Ca 0.03 0.20 0.06 0.00 -0.01 0.00 0.00 56.01 56.28 2qbh n LEU 87 Cb 0.47 -0.32 0.40 0.00 -0.11 0.00 0.00 43.42 43.86 2qbh n LEU 87 CO 0.36 0.06 0.73 0.24 -1.51 0.00 0.00 177.39 177.27 2qbh h MET 88 N 0.19 0.00 0.05 3.23 2.86 -1.80 -2.84 114.93 116.63 2qbh h MET 88 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 2qbh h MET 88 Cb 0.43 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2qbh h MET 88 CO 0.00 0.35 -1.54 0.00 1.06 0.00 0.00 176.91 176.78 2qbh h ARG 89 N 0.00 0.11 -3.94 1.72 -0.00 -1.77 -3.42 114.38 107.09 2qbh h ARG 89 Ca -0.00 -0.19 -0.78 0.00 -0.50 0.00 0.00 59.98 58.51 2qbh h ARG 89 Cb 0.76 0.07 -0.25 0.00 0.00 0.00 0.00 29.97 30.55 2qbh h ARG 89 CO 0.05 0.88 -0.02 -1.17 0.00 0.00 0.00 179.97 179.70 2qbh s LEU 90 N -6.61 6.53 -0.29 3.04 2.96 -1.07 -4.94 118.68 118.29 2qbh s LEU 90 Ca -0.07 -2.34 -0.01 0.00 -0.22 0.00 0.00 54.13 51.50 2qbh s LEU 90 Cb 0.08 -2.21 0.19 0.00 0.50 0.00 0.00 46.19 44.75 2qbh s LEU 90 CO 0.83 -0.69 0.76 1.51 -1.32 0.00 0.00 176.35 177.44 2qbh s ASP 91 N 2.73 -1.18 0.00 3.68 3.84 -1.26 -4.79 116.67 119.69 2qbh s ASP 91 Ca 0.12 0.18 0.00 0.00 -0.00 0.00 0.00 52.55 52.86 2qbh s ASP 91 Cb -0.18 1.77 0.00 0.00 -1.38 0.00 0.00 42.92 43.13 2qbh s ASP 91 CO -0.04 -0.22 0.00 0.00 -0.00 0.00 0.00 175.17 174.91 2qbh n LEU 92 N 5.32 0.00 -3.00 2.11 -0.00 -1.26 -5.08 117.00 115.09 2qbh n LEU 92 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.00 2qbh n LEU 92 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.98 2qbh n LEU 92 CO -0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 177.39 176.92 2qbh n ALA 93 N -3.00 -2.78 0.19 1.47 0.00 -1.26 -4.79 120.51 110.34 2qbh n ALA 93 Ca 0.00 0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.96 2qbh n ALA 93 Cb 0.00 -1.50 0.39 0.00 0.00 0.00 0.00 19.45 18.34 2qbh n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbh n ALA 94 N 0.59 1.19 -0.00 0.00 0.00 -1.26 -2.52 120.51 118.52 2qbh n ALA 94 Ca 0.01 0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 2qbh n ALA 94 Cb 0.33 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 2qbh n ALA 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qbh h GLY 95 N 0.61 0.33 -0.96 0.00 0.00 -1.99 -3.46 103.07 97.60 2qbh h GLY 95 Ca 0.00 -0.63 -0.45 0.00 0.00 0.00 0.00 47.33 46.25 2qbh h GLY 95 CO 0.00 0.55 0.34 -1.34 0.00 0.00 0.00 176.54 176.09 2qbh s VAL 96 N -2.98 2.05 0.00 4.60 -7.23 -1.05 -4.53 120.40 111.27 2qbh s VAL 96 Ca -0.14 -0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 59.85 2qbh s VAL 96 Cb 0.02 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 2qbh s VAL 96 CO 0.79 0.00 0.04 -0.62 -0.31 0.00 0.00 175.10 175.00 2qbh s ASP 97 N -4.79 0.09 -0.02 4.85 -1.08 -0.35 -4.98 116.67 110.39 2qbh s ASP 97 Ca 0.70 -0.23 0.08 0.00 -0.52 0.00 0.00 52.55 52.57 2qbh s ASP 97 Cb -0.05 0.13 -0.02 0.00 -1.46 0.00 0.00 42.92 41.52 2qbh s ASP 97 CO 0.50 -0.23 -0.26 0.68 0.52 0.00 0.00 175.17 176.39 2qbh s VAL 98 N -0.96 2.05 -0.37 1.11 -7.23 -1.26 -2.23 120.40 111.50 2qbh s VAL 98 Ca -0.11 -1.10 0.12 0.00 -1.81 0.00 0.00 61.98 59.08 2qbh s VAL 98 Cb -0.06 -1.70 0.35 0.00 0.56 0.00 0.00 36.38 35.52 2qbh s VAL 98 CO -0.00 0.58 0.74 0.00 -0.31 0.00 0.00 175.10 176.11 2qbh n GLN 99 N 2.50 0.97 -1.79 4.82 6.02 0.48 -4.96 117.38 125.42 2qbh n GLN 99 Ca -0.16 -3.33 -0.19 0.00 -0.01 0.00 0.00 57.00 53.31 2qbh n GLN 99 Cb 0.51 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 2qbh n GLN 99 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2qbh s ILE 100 N -2.31 3.21 0.31 5.09 -4.36 -1.25 -2.22 121.20 119.67 2qbh s ILE 100 Ca 0.39 -0.18 -0.06 0.00 -0.26 0.00 0.00 60.65 60.54 2qbh s ILE 100 Cb 0.34 -3.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.50 2qbh s ILE 100 CO -0.08 -0.44 0.59 -0.44 0.24 0.00 0.00 174.94 174.81 2qbh s SER 101 N 9.51 6.46 0.00 4.36 0.01 0.30 -4.85 113.70 129.49 2qbh s SER 101 Ca 0.82 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2qbh s SER 101 Cb -0.10 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2qbh s SER 101 CO 0.04 -0.23 0.07 0.18 0.41 0.00 0.00 173.24 173.72