#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s ARG 2 N 0.00 1.78 0.27 0.03 3.52 -1.25 -4.75 118.95 118.54 2qbh s ARG 2 Ca 0.00 0.43 0.09 0.00 -0.13 0.00 0.00 55.73 56.12 2qbh s ARG 2 Cb 0.00 -1.90 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 2qbh s ARG 2 CO 0.00 -1.79 0.08 -1.01 -0.81 0.00 0.00 175.30 171.78 2qbh s HIS 3 N -3.27 2.85 -0.22 5.12 3.76 -1.26 -2.41 115.29 119.86 2qbh s HIS 3 Ca 0.62 -0.20 -0.06 0.00 -0.15 0.00 0.00 55.06 55.27 2qbh s HIS 3 Cb -0.14 -1.31 0.11 0.00 1.11 0.00 0.00 32.58 32.35 2qbh s HIS 3 CO 0.53 0.56 0.43 0.71 -0.85 0.00 0.00 174.74 176.12 2qbh s TYR 4 N -2.27 -0.88 -1.28 1.40 2.02 -0.37 -0.61 117.35 115.36 2qbh s TYR 4 Ca 0.33 1.40 -0.15 0.00 -0.37 0.00 0.00 57.07 58.28 2qbh s TYR 4 Cb -0.07 0.28 0.12 0.00 -0.40 0.00 0.00 41.96 41.89 2qbh s TYR 4 CO 0.22 -0.58 1.68 -1.91 -1.57 0.00 0.00 175.55 173.39 2qbh n GLU 5 N 5.39 3.27 -2.71 -0.62 2.13 -1.21 -2.55 120.64 124.34 2qbh n GLU 5 Ca -0.07 -3.47 -0.41 0.00 0.66 0.00 0.00 57.16 53.88 2qbh n GLU 5 Cb 0.50 -3.25 -0.05 0.00 0.27 0.00 0.00 31.44 28.91 2qbh n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qbh s ILE 6 N 2.74 4.24 -0.29 6.31 1.10 -1.26 -3.29 121.20 130.75 2qbh s ILE 6 Ca 0.48 2.03 -0.04 0.00 -0.51 0.00 0.00 60.65 62.61 2qbh s ILE 6 Cb 0.03 -4.29 0.10 0.00 0.15 0.00 0.00 42.46 38.45 2qbh s ILE 6 CO 0.03 0.39 0.13 0.54 -2.11 0.00 0.00 174.94 173.92 2qbh s VAL 7 N -0.55 -0.01 -0.24 4.00 0.11 -0.97 -2.10 120.40 120.64 2qbh s VAL 7 Ca 0.45 -0.84 -0.06 0.00 -2.93 0.00 0.00 61.98 58.59 2qbh s VAL 7 Cb -0.25 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.56 2qbh s VAL 7 CO 0.31 -0.74 0.03 0.72 -3.33 0.00 0.00 175.10 172.09 2qbh s PHE 8 N 2.02 3.04 -0.18 1.54 -0.12 -1.18 -3.11 117.98 119.98 2qbh s PHE 8 Ca 0.10 -0.59 -0.13 0.00 -0.05 0.00 0.00 56.93 56.25 2qbh s PHE 8 Cb -0.16 -2.18 -0.05 0.00 -0.63 0.00 0.00 43.02 39.99 2qbh s PHE 8 CO -0.34 -0.41 0.26 0.00 -0.05 0.00 0.00 175.22 174.67 2qbh s MET 9 N 1.53 4.23 0.14 1.99 0.23 -1.18 -2.88 119.30 123.35 2qbh s MET 9 Ca 0.06 0.02 0.04 0.00 -1.03 0.00 0.00 55.69 54.78 2qbh s MET 9 Cb -0.15 -3.44 -0.04 0.00 -1.53 0.00 0.00 34.83 29.67 2qbh s MET 9 CO 0.01 0.21 0.13 0.08 -2.03 0.00 0.00 175.02 173.42 2qbh s VAL 10 N 0.56 4.53 0.31 5.16 1.01 0.34 -1.97 120.40 130.34 2qbh s VAL 10 Ca 0.14 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 2qbh s VAL 10 Cb -0.13 -3.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.84 2qbh s VAL 10 CO 0.03 -0.05 1.12 1.57 0.00 0.00 0.00 175.10 177.78 2qbh n HIS 11 N -0.15 1.68 0.07 5.22 -0.00 -0.20 -1.06 115.22 120.77 2qbh n HIS 11 Ca -0.08 0.64 -0.11 0.00 0.46 0.00 0.00 57.72 58.63 2qbh n HIS 11 Cb 0.54 -2.32 -0.05 0.00 -0.12 0.00 0.00 29.99 28.04 2qbh n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qbh h PRO 12 N 2.24 -0.29 -2.57 1.57 0.13 -1.90 -3.06 132.00 128.12 2qbh h PRO 12 Ca -0.42 0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.45 2qbh h PRO 12 Cb 1.32 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 2qbh h PRO 12 CO 0.62 -0.19 1.01 -0.25 -0.23 0.00 0.00 178.00 178.95 2qbh n ASP 13 N -5.31 5.06 0.00 1.44 9.92 -1.26 -2.08 116.55 124.32 2qbh n ASP 13 Ca -0.05 -2.33 0.00 0.00 -0.53 0.00 0.00 54.79 51.88 2qbh n ASP 13 Cb 0.22 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 2qbh n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qbh n GLN 14 N 3.06 0.00 -0.09 -1.24 1.13 -1.16 -4.97 117.38 114.11 2qbh n GLN 14 Ca 0.43 0.00 0.25 0.00 -1.94 0.00 0.00 57.00 55.74 2qbh n GLN 14 Cb 0.53 0.00 0.55 0.00 0.11 0.00 0.00 30.24 31.43 2qbh n GLN 14 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2qbh h SER 15 N 0.00 0.00 0.31 1.08 0.02 -1.54 0.33 113.55 113.75 2qbh h SER 15 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2qbh h SER 15 Cb 0.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2qbh h SER 15 CO 0.00 0.00 -0.11 1.05 -1.14 0.00 0.00 176.83 176.63 2qbh h GLU 16 N 0.00 0.00 0.00 3.45 9.09 -1.93 -2.03 114.58 123.16 2qbh h GLU 16 Ca 0.38 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.68 2qbh h GLU 16 Cb 2.23 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.31 2qbh h GLU 16 CO -0.00 0.11 -0.81 1.96 0.05 0.00 0.00 179.01 180.31 2qbh h GLN 17 N 0.00 0.00 -0.90 1.06 4.20 -0.77 -3.38 115.11 115.32 2qbh h GLN 17 Ca -0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 2qbh h GLN 17 Cb 0.29 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.95 2qbh h GLN 17 CO 0.01 0.35 -0.52 0.28 -0.67 0.00 0.00 178.83 178.29 2qbh h VAL 18 N 0.00 0.01 -0.10 -0.54 2.07 -1.43 0.23 116.25 116.48 2qbh h VAL 18 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qbh h VAL 18 Cb 1.39 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2qbh h VAL 18 CO 0.05 0.00 0.06 1.55 0.02 0.00 0.00 177.57 179.25 2qbh h PRO 19 N -0.06 0.14 -0.22 1.57 0.13 -1.74 -2.55 132.00 129.27 2qbh h PRO 19 Ca 0.21 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.38 2qbh h PRO 19 Cb 0.49 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.53 2qbh h PRO 19 CO -0.90 0.14 -0.17 0.78 -0.23 0.00 0.00 178.00 177.61 2qbh h GLY 20 N 0.10 -0.04 -0.10 1.56 0.00 -1.44 -2.33 103.07 100.82 2qbh h GLY 20 Ca 0.04 0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.61 2qbh h GLY 20 CO -0.01 -0.17 -0.54 -0.33 0.00 0.00 0.00 176.54 175.49 2qbh h MET 21 N -0.18 -0.59 -0.76 4.80 2.86 -0.48 -2.17 114.93 118.42 2qbh h MET 21 Ca 0.13 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.95 2qbh h MET 21 Cb 0.37 0.13 -0.14 0.00 0.06 0.00 0.00 31.60 32.02 2qbh h MET 21 CO -0.32 -0.39 -0.27 0.82 1.06 0.00 0.00 176.91 177.81 2qbh h ILE 22 N -0.61 0.16 -0.33 -1.22 2.04 -1.10 -0.72 117.51 115.74 2qbh h ILE 22 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 2qbh h ILE 22 Cb 0.69 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 2qbh h ILE 22 CO -0.42 0.00 -0.10 -0.08 0.00 0.00 0.00 178.15 177.55 2qbh h GLU 23 N -0.05 -0.02 -0.48 2.37 4.81 -0.87 0.30 114.58 120.64 2qbh h GLU 23 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2qbh h GLU 23 Cb 0.57 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2qbh h GLU 23 CO -0.80 -0.01 0.26 0.00 -0.73 0.00 0.00 179.01 177.73 2qbh h ARG 24 N -0.02 0.66 0.29 1.92 -0.00 -0.79 0.28 114.38 116.72 2qbh h ARG 24 Ca 0.16 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.55 2qbh h ARG 24 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.11 2qbh h ARG 24 CO -0.36 0.52 -0.14 1.88 0.00 0.00 0.00 179.97 181.87 2qbh h TYR 25 N 0.63 -0.37 -0.31 3.04 0.99 -0.65 0.16 116.97 120.46 2qbh h TYR 25 Ca 0.17 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.90 2qbh h TYR 25 Cb 0.05 0.12 -0.02 0.00 1.00 0.00 0.00 36.73 37.88 2qbh h TYR 25 CO -0.02 -0.17 0.18 1.79 -0.00 0.00 0.00 178.16 179.94 2qbh h THR 26 N -0.49 1.03 0.22 -2.88 1.35 -0.32 -0.76 112.91 111.06 2qbh h THR 26 Ca -0.04 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 2qbh h THR 26 Cb 0.37 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2qbh h THR 26 CO 0.07 0.07 -0.11 0.00 -0.25 0.00 0.00 175.52 175.30 2qbh h ALA 27 N 1.14 -0.30 -0.54 6.62 0.00 -0.36 0.53 119.26 126.34 2qbh h ALA 27 Ca 0.12 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2qbh h ALA 27 Cb 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2qbh h ALA 27 CO -0.06 -0.62 0.18 0.00 0.00 0.00 0.00 179.25 178.75 2qbh h ALA 28 N 0.37 0.67 0.62 0.00 0.00 -0.57 0.46 119.26 120.81 2qbh h ALA 28 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2qbh h ALA 28 Cb 0.30 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2qbh h ALA 28 CO 0.05 -0.22 -0.30 0.82 0.00 0.00 0.00 179.25 179.60 2qbh h ILE 29 N 0.36 0.33 -0.37 0.00 2.04 -1.00 -2.90 117.51 115.96 2qbh h ILE 29 Ca 0.27 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 66.00 2qbh h ILE 29 Cb 0.31 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 2qbh h ILE 29 CO -0.28 0.02 0.07 0.74 0.00 0.00 0.00 178.15 178.70 2qbh h THR 30 N -0.97 0.81 -0.63 -0.27 2.02 -0.61 0.22 112.91 113.48 2qbh h THR 30 Ca -0.09 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.15 2qbh h THR 30 Cb 0.68 0.60 -0.12 0.00 -1.74 0.00 0.00 68.15 67.57 2qbh h THR 30 CO 0.14 0.04 -0.25 1.23 0.37 0.00 0.00 175.52 177.04 2qbh h GLY 31 N 0.19 0.19 -3.17 2.16 0.00 -0.06 0.27 103.07 102.65 2qbh h GLY 31 Ca 0.18 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2qbh h GLY 31 CO -0.23 -0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.07 2qbh n ALA 32 N -3.15 3.49 -2.03 3.60 0.00 -0.99 -4.63 120.51 116.81 2qbh n ALA 32 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 2qbh n ALA 32 Cb 0.36 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2qbh n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qbh n GLU 33 N 1.58 -1.60 0.00 0.00 -0.58 0.86 -4.91 120.64 116.00 2qbh n GLU 33 Ca 0.00 1.08 0.00 0.00 -0.42 0.00 0.00 57.16 57.82 2qbh n GLU 33 Cb 0.40 -5.61 0.00 0.00 -0.57 0.00 0.00 31.44 25.67 2qbh n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbh n GLY 34 N -0.71 -2.90 3.15 0.62 0.00 0.73 -4.95 105.19 101.13 2qbh n GLY 34 Ca -0.22 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.51 2qbh n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbh s LYS 35 N -2.12 0.27 0.01 1.61 2.20 -1.25 -4.68 119.74 115.77 2qbh s LYS 35 Ca 0.00 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2qbh s LYS 35 Cb 0.00 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 2qbh s LYS 35 CO 0.00 -0.42 1.00 0.42 -0.36 0.00 0.00 175.35 175.99 2qbh s ILE 36 N 2.93 4.80 -0.52 5.43 1.01 -1.26 -0.76 121.20 132.81 2qbh s ILE 36 Ca 0.15 2.01 0.10 0.00 0.00 0.00 0.00 60.65 62.91 2qbh s ILE 36 Cb -0.07 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 2qbh s ILE 36 CO -0.20 0.16 0.45 1.41 0.00 0.00 0.00 174.94 176.76 2qbh n HIS 37 N 3.90 0.00 -3.54 3.97 8.25 -1.26 -4.94 115.22 121.60 2qbh n HIS 37 Ca 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 2qbh n HIS 37 Cb 0.51 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 2qbh n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qbh s ARG 38 N -1.89 1.08 -0.30 -0.41 3.52 -1.19 -4.57 118.95 115.19 2qbh s ARG 38 Ca 0.04 -0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 55.03 2qbh s ARG 38 Cb 0.08 0.46 0.16 0.00 -1.56 0.00 0.00 34.95 34.08 2qbh s ARG 38 CO 0.40 -0.48 1.00 -1.17 -0.81 0.00 0.00 175.30 174.24 2qbh s LEU 39 N -2.66 -0.51 -0.06 -0.88 1.98 -1.26 -4.28 118.68 111.01 2qbh s LEU 39 Ca 0.05 0.75 -0.02 0.00 -2.89 0.00 0.00 54.13 52.02 2qbh s LEU 39 Cb -0.01 1.66 0.04 0.00 0.66 0.00 0.00 46.19 48.53 2qbh s LEU 39 CO -0.07 -0.11 0.10 -1.61 -1.89 0.00 0.00 176.35 172.77 2qbh s GLU 40 N 1.87 -0.02 -1.21 1.98 2.02 -1.26 -4.98 118.70 117.10 2qbh s GLU 40 Ca -0.06 0.44 -0.14 0.00 0.02 0.00 0.00 54.97 55.23 2qbh s GLU 40 Cb -0.05 -0.37 0.17 0.00 0.10 0.00 0.00 34.13 33.98 2qbh s GLU 40 CO -0.16 -0.30 1.44 -3.47 0.02 0.00 0.00 175.26 172.79 2qbh n ASP 41 N 5.15 5.23 0.24 -0.19 2.03 -1.26 -1.63 116.55 126.11 2qbh n ASP 41 Ca -0.07 -2.98 0.16 0.00 0.52 0.00 0.00 54.79 52.42 2qbh n ASP 41 Cb 0.50 -1.57 0.69 0.00 -0.72 0.00 0.00 41.12 40.02 2qbh n ASP 41 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 2qbh h TRP 42 N 7.10 0.00 -2.98 -0.67 4.06 -1.82 -3.47 115.95 118.17 2qbh h TRP 42 Ca 0.32 0.00 0.35 0.00 2.06 0.00 0.00 58.89 61.61 2qbh h TRP 42 Cb 0.87 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.92 2qbh h TRP 42 CO 1.10 0.00 -0.60 0.41 -3.56 0.00 0.00 178.44 175.79 2qbh n GLY 43 N -1.35 -1.93 3.45 1.49 0.00 -1.06 -4.73 105.19 101.07 2qbh n GLY 43 Ca 0.02 -0.99 -0.48 0.00 0.00 0.00 0.00 46.02 44.56 2qbh n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbh n ARG 44 N -3.93 0.31 -3.58 1.61 0.63 -1.26 -3.28 116.66 107.17 2qbh n ARG 44 Ca -0.01 0.11 -0.13 0.00 -0.92 0.00 0.00 57.85 56.90 2qbh n ARG 44 Cb 0.66 -1.25 -0.05 0.00 0.45 0.00 0.00 32.46 32.26 2qbh n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qbh s ARG 45 N -0.98 1.04 1.27 -0.14 3.52 -0.79 -4.93 118.95 117.95 2qbh s ARG 45 Ca 0.66 -0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.81 2qbh s ARG 45 Cb -0.91 0.47 0.32 0.00 -1.56 0.00 0.00 34.95 33.27 2qbh s ARG 45 CO 0.57 -0.38 0.98 -1.14 -0.81 0.00 0.00 175.30 174.52 2qbh s GLN 46 N -2.62 -1.77 -0.02 5.12 2.00 -1.26 -1.55 119.66 119.56 2qbh s GLN 46 Ca -0.04 0.60 0.01 0.00 -2.00 0.00 0.00 55.36 53.92 2qbh s GLN 46 Cb -0.00 -1.47 0.01 0.00 0.80 0.00 0.00 33.01 32.34 2qbh s GLN 46 CO -0.03 -4.23 -0.04 -0.51 -0.50 0.00 0.00 175.29 169.99 2qbh s LEU 47 N -7.50 1.61 0.05 3.68 1.43 -0.76 -4.56 118.68 112.63 2qbh s LEU 47 Ca 0.69 -0.08 -0.32 0.00 -1.03 0.00 0.00 54.13 53.38 2qbh s LEU 47 Cb -0.22 -0.30 -0.18 0.00 0.03 0.00 0.00 46.19 45.53 2qbh s LEU 47 CO 0.63 -0.01 1.49 0.00 0.23 0.00 0.00 176.35 178.69 2qbh h ALA 48 N 6.65 -1.30 -3.79 4.21 0.00 -1.97 -3.43 119.26 119.62 2qbh h ALA 48 Ca -0.35 -0.25 -0.68 0.00 0.00 0.00 0.00 54.91 53.63 2qbh h ALA 48 Cb 1.17 0.47 -0.19 0.00 0.00 0.00 0.00 17.79 19.23 2qbh h ALA 48 CO 0.49 -1.23 -0.76 1.52 0.00 0.00 0.00 179.25 179.27 2qbh s TYR 49 N -5.56 2.69 -1.03 0.00 1.13 -1.26 -5.03 117.35 108.29 2qbh s TYR 49 Ca -0.17 -0.17 -0.23 0.00 -1.41 0.00 0.00 57.07 55.09 2qbh s TYR 49 Cb 0.02 -1.51 -0.12 0.00 -1.10 0.00 0.00 41.96 39.26 2qbh s TYR 49 CO 0.51 0.32 1.92 -0.35 -2.51 0.00 0.00 175.55 175.45 2qbh n PRO 50 N 1.43 1.56 -1.67 -3.49 -0.04 -1.26 -4.88 135.00 126.65 2qbh n PRO 50 Ca -0.15 -2.25 -0.24 0.00 -0.04 0.00 0.00 63.50 60.82 2qbh n PRO 50 Cb 0.52 -3.44 -0.05 0.00 -0.04 0.00 0.00 33.50 30.49 2qbh n PRO 50 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2qbh s ILE 51 N 8.88 3.09 -1.04 0.52 2.07 -1.26 -2.77 121.20 130.70 2qbh s ILE 51 Ca 0.65 -0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.78 2qbh s ILE 51 Cb 0.05 -3.22 -0.06 0.00 0.13 0.00 0.00 42.46 39.36 2qbh s ILE 51 CO 0.13 -0.21 0.89 -3.20 -1.91 0.00 0.00 174.94 170.65 2qbh n ASN 52 N 16.77 -6.58 -1.11 4.50 5.15 -1.26 -4.76 115.26 127.97 2qbh n ASN 52 Ca 0.41 -0.71 0.12 0.00 -0.60 0.00 0.00 54.58 53.80 2qbh n ASN 52 Cb 0.48 -5.02 -0.03 0.00 -0.53 0.00 0.00 39.78 34.68 2qbh n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qbh n LYS 53 N -3.25 -1.74 -2.79 1.20 4.76 -1.11 -5.01 118.16 110.22 2qbh n LYS 53 Ca -0.07 1.14 -0.02 0.00 -2.87 0.00 0.00 58.31 56.50 2qbh n LYS 53 Cb 0.61 -2.12 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 2qbh n LYS 53 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qbh n LEU 54 N 0.00 -6.53 -0.81 -0.35 7.99 -1.26 -4.76 117.00 111.28 2qbh n LEU 54 Ca 0.01 1.50 0.00 0.00 -0.01 0.00 0.00 56.01 57.50 2qbh n LEU 54 Cb 0.39 -2.91 0.00 0.00 -0.11 0.00 0.00 43.42 40.79 2qbh n LEU 54 CO 0.01 -3.17 0.30 1.41 -1.51 0.00 0.00 177.39 174.42 2qbh n HIS 55 N 1.25 0.00 -3.68 -1.77 8.25 -1.26 -4.58 115.22 113.42 2qbh n HIS 55 Ca -0.12 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.01 2qbh n HIS 55 Cb 0.27 -0.16 -0.11 0.00 1.12 0.00 0.00 29.99 31.12 2qbh n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qbh s LYS 56 N -0.22 0.37 0.02 -0.41 1.02 -1.26 -1.83 119.74 117.44 2qbh s LYS 56 Ca 0.00 0.86 0.03 0.00 0.02 0.00 0.00 55.97 56.87 2qbh s LYS 56 Cb 0.00 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.36 2qbh s LYS 56 CO 0.00 -0.19 -0.09 0.00 -0.92 0.00 0.00 175.35 174.15 2qbh s ALA 57 N 1.76 0.71 -0.22 5.17 0.00 -0.59 -4.07 121.76 124.52 2qbh s ALA 57 Ca -0.07 -0.59 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 2qbh s ALA 57 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2qbh s ALA 57 CO -0.13 0.10 0.76 -1.58 0.00 0.00 0.00 175.76 174.91 2qbh s HIS 58 N -0.77 3.35 0.21 0.00 2.46 -0.23 -1.89 115.29 118.42 2qbh s HIS 58 Ca -0.02 1.08 0.06 0.00 0.47 0.00 0.00 55.06 56.64 2qbh s HIS 58 Cb -0.07 -2.96 -0.04 0.00 -0.13 0.00 0.00 32.58 29.39 2qbh s HIS 58 CO 0.00 -0.30 0.21 0.71 -2.47 0.00 0.00 174.74 172.89 2qbh s TYR 59 N 2.42 3.21 0.08 3.88 1.51 -1.20 0.13 117.35 127.37 2qbh s TYR 59 Ca 0.33 -0.04 -0.09 0.00 -1.01 0.00 0.00 57.07 56.27 2qbh s TYR 59 Cb -0.16 -1.49 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 2qbh s TYR 59 CO 0.09 0.51 0.18 0.08 -1.11 0.00 0.00 175.55 175.31 2qbh s VAL 60 N -1.94 0.14 0.00 0.71 1.01 -1.14 -2.34 120.40 116.84 2qbh s VAL 60 Ca 0.32 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2qbh s VAL 60 Cb -0.09 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2qbh s VAL 60 CO 0.25 -0.64 0.00 -0.11 0.00 0.00 0.00 175.10 174.60 2qbh n LEU 61 N 0.04 0.00 0.00 3.92 -0.00 -0.65 -3.12 117.00 117.19 2qbh n LEU 61 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2qbh n LEU 61 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2qbh n LEU 61 CO 0.23 -0.01 0.00 0.80 -0.00 0.00 0.00 177.39 178.41 2qbh n MET 62 N -0.02 0.00 -1.17 1.96 1.56 -0.89 -4.59 117.12 113.97 2qbh n MET 62 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 2qbh n MET 62 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 2qbh n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qbh n ASN 63 N -1.35 -5.51 -4.46 6.12 4.13 -1.06 -3.19 115.26 109.95 2qbh n ASN 63 Ca 0.00 0.15 -0.35 0.00 1.68 0.00 0.00 54.58 56.06 2qbh n ASN 63 Cb 0.00 -3.54 0.09 0.00 -1.54 0.00 0.00 39.78 34.79 2qbh n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2qbh n VAL 64 N -2.23 1.17 -3.40 2.41 0.31 -1.14 -4.36 118.33 111.08 2qbh n VAL 64 Ca -0.06 -0.31 -0.28 0.00 -0.01 0.00 0.00 64.34 63.68 2qbh n VAL 64 Cb 0.49 -0.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 2qbh n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbh n GLU 65 N -1.21 2.62 -4.40 5.55 2.13 0.06 -1.24 120.64 124.14 2qbh n GLU 65 Ca 0.09 -4.68 -0.25 0.00 0.66 0.00 0.00 57.16 52.99 2qbh n GLU 65 Cb 0.51 -2.27 -0.09 0.00 0.27 0.00 0.00 31.44 29.86 2qbh n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qbh s ALA 66 N -2.51 3.08 0.37 4.31 0.00 -1.01 -3.84 121.76 122.16 2qbh s ALA 66 Ca 0.40 -1.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.13 2qbh s ALA 66 Cb 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 23.12 22.85 2qbh s ALA 66 CO -0.01 0.12 1.34 -1.25 0.00 0.00 0.00 175.76 175.96 2qbh s PRO 67 N -3.66 4.16 0.30 0.00 0.04 -1.26 -3.89 135.00 130.69 2qbh s PRO 67 Ca 0.33 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2qbh s PRO 67 Cb -0.01 -2.93 0.71 0.00 0.04 0.00 0.00 34.50 32.31 2qbh s PRO 67 CO 0.18 -0.37 1.58 -0.56 0.04 0.00 0.00 177.00 177.87 2qbh h GLN 68 N 3.03 0.02 -0.49 4.56 3.07 -1.99 -2.46 115.11 120.85 2qbh h GLN 68 Ca -0.50 -0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.29 2qbh h GLN 68 Cb 1.24 -0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.73 2qbh h GLN 68 CO 0.64 0.01 -0.35 1.49 0.09 0.00 0.00 178.83 180.72 2qbh h GLU 69 N 0.02 -0.07 0.10 0.06 4.22 -1.99 0.12 114.58 117.03 2qbh h GLU 69 Ca 0.57 0.00 0.01 0.00 0.08 0.00 0.00 59.36 60.03 2qbh h GLU 69 Cb 1.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2qbh h GLU 69 CO -0.90 -0.05 -0.12 -0.39 -2.18 0.00 0.00 179.01 175.37 2qbh h VAL 70 N -0.07 0.71 -0.56 0.32 -1.51 -1.82 -1.62 116.25 111.69 2qbh h VAL 70 Ca 0.08 0.00 0.16 0.00 -1.23 0.00 0.00 66.70 65.71 2qbh h VAL 70 Cb 0.28 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 2qbh h VAL 70 CO -0.50 0.00 0.40 0.16 -1.23 0.00 0.00 177.57 176.40 2qbh h ILE 71 N -0.26 0.73 -0.15 7.19 3.07 -1.39 0.15 117.51 126.84 2qbh h ILE 71 Ca 0.01 -0.01 -0.03 0.00 1.55 0.00 0.00 64.86 66.39 2qbh h ILE 71 Cb 0.26 0.70 -0.01 0.00 -0.27 0.00 0.00 36.82 37.51 2qbh h ILE 71 CO -0.05 0.00 -0.01 -0.78 -1.05 0.00 0.00 178.15 176.27 2qbh h ASP 72 N 0.02 0.27 -0.92 2.16 3.58 0.15 0.76 116.42 122.44 2qbh h ASP 72 Ca 0.27 -0.32 0.20 0.00 0.42 0.00 0.00 57.03 57.60 2qbh h ASP 72 Cb 1.04 -0.07 -0.11 0.00 1.72 0.00 0.00 39.33 41.90 2qbh h ASP 72 CO -0.01 0.52 0.49 -0.33 -2.88 0.00 0.00 179.24 177.03 2qbh h GLU 73 N 0.01 0.55 -0.07 0.28 4.39 -0.11 0.23 114.58 119.85 2qbh h GLU 73 Ca 0.04 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2qbh h GLU 73 Cb 0.39 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2qbh h GLU 73 CO 0.01 0.36 -0.75 1.25 -1.16 0.00 0.00 179.01 178.72 2qbh h LEU 74 N 0.57 0.79 -1.57 1.33 5.85 -0.83 -2.86 115.31 118.59 2qbh h LEU 74 Ca 0.55 -0.68 0.21 0.00 0.84 0.00 0.00 57.88 58.80 2qbh h LEU 74 Cb 0.95 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2qbh h LEU 74 CO -0.44 1.36 0.60 -0.33 -0.34 0.00 0.00 178.44 179.29 2qbh h GLU 75 N 0.29 0.34 0.13 1.25 5.08 0.26 -2.07 114.58 119.86 2qbh h GLU 75 Ca -0.07 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.02 2qbh h GLU 75 Cb 1.41 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.59 2qbh h GLU 75 CO 0.15 0.22 -1.17 1.79 -1.00 0.00 0.00 179.01 179.00 2qbh h THR 76 N 0.35 1.23 -0.93 1.13 1.35 -1.39 -3.35 112.91 111.31 2qbh h THR 76 Ca 0.47 -2.46 0.18 0.00 -0.55 0.00 0.00 66.41 64.05 2qbh h THR 76 Cb 1.26 2.92 -0.08 0.00 -1.73 0.00 0.00 68.15 70.52 2qbh h THR 76 CO -0.16 0.71 0.60 0.71 -0.25 0.00 0.00 175.52 177.12 2qbh h THR 77 N -0.32 0.74 -0.61 6.82 1.35 -1.15 0.27 112.91 120.00 2qbh h THR 77 Ca -0.24 -0.20 0.18 0.00 -0.55 0.00 0.00 66.41 65.60 2qbh h THR 77 Cb 1.72 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 2qbh h THR 77 CO 0.10 0.11 0.45 -0.26 -0.25 0.00 0.00 175.52 175.67 2qbh h PHE 78 N 0.59 0.00 0.01 4.73 0.05 -1.54 0.19 116.94 120.97 2qbh h PHE 78 Ca 0.49 0.00 -0.19 0.00 3.82 0.00 0.00 57.97 62.09 2qbh h PHE 78 Cb 0.96 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.89 2qbh h PHE 78 CO -0.00 0.00 -0.91 0.00 -0.18 0.00 0.00 178.31 177.21 2qbh h ARG 79 N 0.00 0.04 -1.03 1.51 2.47 -0.64 -3.27 114.38 113.46 2qbh h ARG 79 Ca 0.29 -0.05 -0.68 0.00 -1.26 0.00 0.00 59.98 58.28 2qbh h ARG 79 Cb 1.19 0.02 -0.29 0.00 -1.65 0.00 0.00 29.97 29.23 2qbh h ARG 79 CO -0.00 0.92 0.82 1.19 0.56 0.00 0.00 179.97 183.46 2qbh n PHE 80 N -3.50 3.21 -3.20 3.04 3.72 0.66 -4.59 117.46 116.82 2qbh n PHE 80 Ca -0.01 -2.99 -0.23 0.00 -0.05 0.00 0.00 57.45 54.17 2qbh n PHE 80 Cb 0.86 -1.41 -0.06 0.00 -0.94 0.00 0.00 39.48 37.93 2qbh n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2qbh n ASN 81 N -0.90 0.70 -0.16 4.37 2.85 -1.09 -4.98 115.26 116.05 2qbh n ASN 81 Ca 0.62 -2.85 0.15 0.00 -0.11 0.00 0.00 54.58 52.39 2qbh n ASN 81 Cb 0.66 -0.64 0.26 0.00 1.24 0.00 0.00 39.78 41.30 2qbh n ASN 81 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2qbh n ASP 82 N 1.05 0.12 -0.28 1.20 10.43 -1.26 0.15 116.55 127.96 2qbh n ASP 82 Ca 0.23 0.64 0.06 0.00 2.57 0.00 0.00 54.79 58.28 2qbh n ASP 82 Cb 0.55 -0.31 0.20 0.00 1.84 0.00 0.00 41.12 43.40 2qbh n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbh h ALA 83 N 0.75 1.17 -2.29 2.24 0.00 -1.94 -3.42 119.26 115.77 2qbh h ALA 83 Ca 0.36 0.09 -0.49 0.00 0.00 0.00 0.00 54.91 54.87 2qbh h ALA 83 Cb 1.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2qbh h ALA 83 CO -0.26 -0.13 0.13 0.54 0.00 0.00 0.00 179.25 179.54 2qbh s VAL 84 N -6.00 4.68 0.00 0.00 0.11 0.40 -1.04 120.40 118.55 2qbh s VAL 84 Ca -0.12 0.91 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 2qbh s VAL 84 Cb 0.21 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2qbh s VAL 84 CO 0.77 -0.31 0.00 -0.38 -3.33 0.00 0.00 175.10 171.85 2qbh n ILE 85 N -0.69 0.00 -1.87 7.04 5.41 -0.83 -4.79 119.36 123.62 2qbh n ILE 85 Ca 0.04 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.40 2qbh n ILE 85 Cb 0.53 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.49 2qbh n ILE 85 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2qbh s ARG 86 N 3.23 3.47 0.10 0.38 3.00 -1.26 -4.91 118.95 122.96 2qbh s ARG 86 Ca 0.00 2.23 0.03 0.00 -1.00 0.00 0.00 55.73 56.99 2qbh s ARG 86 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 34.95 32.46 2qbh s ARG 86 CO 0.00 -0.92 -0.09 0.45 0.00 0.00 0.00 175.30 174.73 2qbh s SER 87 N -0.84 1.36 0.12 -2.12 0.15 -1.26 -3.13 113.70 107.97 2qbh s SER 87 Ca 0.66 -0.85 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 2qbh s SER 87 Cb -0.40 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 63.97 2qbh s SER 87 CO 0.49 -0.31 0.37 -0.32 1.20 0.00 0.00 173.24 174.67 2qbh s MET 88 N -3.01 1.05 -0.29 5.44 1.75 -1.18 -5.04 119.30 118.01 2qbh s MET 88 Ca 0.07 -0.75 -0.15 0.00 -1.25 0.00 0.00 55.69 53.60 2qbh s MET 88 Cb -0.01 0.45 0.14 0.00 2.84 0.00 0.00 34.83 38.25 2qbh s MET 88 CO -0.01 -0.40 0.93 0.54 -0.65 0.00 0.00 175.02 175.43 2qbh s VAL 89 N -3.82 -0.22 0.00 10.11 0.11 -1.26 -2.29 120.40 123.04 2qbh s VAL 89 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2qbh s VAL 89 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2qbh s VAL 89 CO -0.12 0.00 0.00 0.23 -3.33 0.00 0.00 175.10 171.88 2qbh n MET 90 N 4.26 2.19 0.00 1.54 2.81 -1.21 -4.93 117.12 121.79 2qbh n MET 90 Ca -0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2qbh n MET 90 Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.07 2qbh n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qbh n ARG 91 N -0.38 3.60 0.00 0.03 1.85 -1.26 -3.36 116.66 117.14 2qbh n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2qbh n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2qbh n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qbh n THR 92 N 0.00 0.00 -1.68 8.89 -1.04 0.22 -3.49 114.28 117.18 2qbh n THR 92 Ca 0.00 0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 62.16 2qbh n THR 92 Cb 0.00 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 67.35 2qbh n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qbh n LYS 93 N 0.00 -0.70 -0.45 -2.82 5.02 -1.26 -4.63 118.16 113.31 2qbh n LYS 93 Ca 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2qbh n LYS 93 Cb 0.00 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 2qbh n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qbh n HIS 94 N -3.31 -0.68 -1.42 2.13 8.25 -1.26 -4.76 115.22 114.17 2qbh n HIS 94 Ca -0.10 0.38 -0.25 0.00 -0.26 0.00 0.00 57.72 57.48 2qbh n HIS 94 Cb 0.44 -1.99 -0.20 0.00 1.12 0.00 0.00 29.99 29.36 2qbh n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbh n ALA 95 N -0.09 0.87 -1.78 -1.41 0.00 -1.26 -4.87 120.51 111.97 2qbh n ALA 95 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 53.44 52.42 2qbh n ALA 95 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 2qbh n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qbh s VAL 96 N 2.22 3.49 -0.24 0.00 1.01 -1.26 -5.04 120.40 120.58 2qbh s VAL 96 Ca 1.26 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 64.21 2qbh s VAL 96 Cb -0.91 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 31.90 2qbh s VAL 96 CO 0.52 0.06 0.63 -0.89 0.00 0.00 0.00 175.10 175.41 2qbh s THR 97 N -1.54 -0.00 0.00 3.92 2.01 -1.26 -4.50 115.64 114.27 2qbh s THR 97 Ca 0.57 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2qbh s THR 97 Cb -0.26 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.38 2qbh s THR 97 CO 0.32 0.00 0.00 -1.84 -0.69 0.00 0.00 174.62 172.41 2qbh n GLU 98 N 2.78 0.00 0.00 4.92 0.00 -1.26 -5.05 120.64 122.03 2qbh n GLU 98 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 2qbh n GLU 98 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.00 2qbh n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbh n ALA 99 N -1.91 0.00 -0.84 -1.84 0.00 -1.26 -5.12 120.51 109.54 2qbh n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbh n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbh n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93