#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj s ARG 2 N 0.00 2.44 0.26 0.03 3.52 -1.25 -4.76 118.95 119.18 2qbj s ARG 2 Ca 0.00 0.48 0.08 0.00 -0.13 0.00 0.00 55.73 56.16 2qbj s ARG 2 Cb 0.00 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 2qbj s ARG 2 CO 0.00 -1.33 0.13 -1.01 -0.81 0.00 0.00 175.30 172.27 2qbj s HIS 3 N -3.31 2.96 -0.22 5.12 3.76 -1.26 -2.40 115.29 119.95 2qbj s HIS 3 Ca 0.60 -0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 55.30 2qbj s HIS 3 Cb -0.12 -1.33 0.11 0.00 1.11 0.00 0.00 32.58 32.34 2qbj s HIS 3 CO 0.52 0.56 0.42 0.71 -0.85 0.00 0.00 174.74 176.10 2qbj s TYR 4 N -2.20 -0.85 -1.28 1.40 2.02 -0.33 -0.64 117.35 115.47 2qbj s TYR 4 Ca 0.32 1.38 -0.15 0.00 -0.37 0.00 0.00 57.07 58.25 2qbj s TYR 4 Cb -0.07 0.26 0.12 0.00 -0.40 0.00 0.00 41.96 41.86 2qbj s TYR 4 CO 0.23 -0.56 1.68 -1.91 -1.57 0.00 0.00 175.55 173.42 2qbj n GLU 5 N 5.39 3.28 -2.74 -0.62 2.13 -1.22 -2.54 120.64 124.31 2qbj n GLU 5 Ca -0.07 -3.47 -0.41 0.00 0.66 0.00 0.00 57.16 53.87 2qbj n GLU 5 Cb 0.50 -3.24 -0.05 0.00 0.27 0.00 0.00 31.44 28.92 2qbj n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qbj s ILE 6 N 2.67 4.35 -0.30 6.31 1.10 -1.26 -3.26 121.20 130.81 2qbj s ILE 6 Ca 0.47 2.08 -0.03 0.00 -0.51 0.00 0.00 60.65 62.66 2qbj s ILE 6 Cb 0.03 -4.32 0.10 0.00 0.15 0.00 0.00 42.46 38.41 2qbj s ILE 6 CO 0.03 0.38 0.13 0.54 -2.11 0.00 0.00 174.94 173.91 2qbj s VAL 7 N -0.43 0.10 -0.25 4.00 0.11 -0.95 -2.12 120.40 120.86 2qbj s VAL 7 Ca 0.45 -0.91 -0.06 0.00 -2.93 0.00 0.00 61.98 58.53 2qbj s VAL 7 Cb -0.24 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 2qbj s VAL 7 CO 0.31 -0.73 0.04 0.72 -3.33 0.00 0.00 175.10 172.11 2qbj s PHE 8 N 1.98 3.06 -0.17 1.54 -0.12 -1.18 -3.10 117.98 119.99 2qbj s PHE 8 Ca 0.09 -0.68 -0.14 0.00 -0.05 0.00 0.00 56.93 56.15 2qbj s PHE 8 Cb -0.16 -2.20 -0.05 0.00 -0.63 0.00 0.00 43.02 39.98 2qbj s PHE 8 CO -0.34 -0.46 0.30 0.00 -0.05 0.00 0.00 175.22 174.68 2qbj s MET 9 N 1.55 4.24 0.14 1.99 0.23 -1.19 -2.91 119.30 123.35 2qbj s MET 9 Ca 0.05 0.09 0.04 0.00 -1.03 0.00 0.00 55.69 54.85 2qbj s MET 9 Cb -0.15 -3.45 -0.04 0.00 -1.53 0.00 0.00 34.83 29.66 2qbj s MET 9 CO 0.01 0.18 0.14 0.08 -2.03 0.00 0.00 175.02 173.41 2qbj s VAL 10 N 0.64 4.64 0.32 5.16 1.01 0.39 -2.09 120.40 130.48 2qbj s VAL 10 Ca 0.16 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 2qbj s VAL 10 Cb -0.13 -3.33 -0.13 0.00 0.00 0.00 0.00 36.38 32.78 2qbj s VAL 10 CO 0.05 -0.03 1.11 1.57 0.00 0.00 0.00 175.10 177.79 2qbj n HIS 11 N -0.13 1.62 0.06 5.22 -0.00 -0.28 -0.98 115.22 120.73 2qbj n HIS 11 Ca -0.08 0.64 -0.11 0.00 0.46 0.00 0.00 57.72 58.63 2qbj n HIS 11 Cb 0.54 -2.31 -0.05 0.00 -0.12 0.00 0.00 29.99 28.05 2qbj n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qbj h PRO 12 N 2.15 -0.28 -2.74 1.57 0.13 -1.90 -3.10 132.00 127.83 2qbj h PRO 12 Ca -0.42 0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.36 2qbj h PRO 12 Cb 1.32 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2qbj h PRO 12 CO 0.61 -0.19 1.72 -0.25 -0.23 0.00 0.00 178.00 179.66 2qbj n ASP 13 N -5.31 5.82 0.00 1.44 9.92 -1.26 -2.17 116.55 124.99 2qbj n ASP 13 Ca -0.05 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.82 2qbj n ASP 13 Cb 0.22 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 2qbj n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qbj n GLN 14 N 3.28 0.00 -0.11 -1.24 1.13 -1.17 -4.97 117.38 114.31 2qbj n GLN 14 Ca 0.51 0.00 0.25 0.00 -1.94 0.00 0.00 57.00 55.82 2qbj n GLN 14 Cb 0.44 0.00 0.54 0.00 0.11 0.00 0.00 30.24 31.33 2qbj n GLN 14 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2qbj h SER 15 N 0.00 0.00 0.32 1.08 0.02 -1.56 0.36 113.55 113.77 2qbj h SER 15 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2qbj h SER 15 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 2qbj h SER 15 CO 0.00 0.00 -0.09 1.05 -1.14 0.00 0.00 176.83 176.65 2qbj h GLU 16 N 0.00 0.00 0.00 3.45 9.09 -1.93 -2.04 114.58 123.15 2qbj h GLU 16 Ca 0.39 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.66 2qbj h GLU 16 Cb 2.31 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.39 2qbj h GLU 16 CO -0.00 0.09 -0.98 1.96 0.05 0.00 0.00 179.01 180.13 2qbj h GLN 17 N 0.00 0.00 -0.98 1.06 4.20 -0.70 -3.39 115.11 115.30 2qbj h GLN 17 Ca -0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2qbj h GLN 17 Cb 0.27 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.92 2qbj h GLN 17 CO 0.01 0.39 -0.53 0.28 -0.67 0.00 0.00 178.83 178.31 2qbj h VAL 18 N 0.00 0.00 -0.01 -0.54 2.07 -1.44 0.25 116.25 116.58 2qbj h VAL 18 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2qbj h VAL 18 Cb 1.48 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2qbj h VAL 18 CO 0.06 0.00 0.01 1.55 0.02 0.00 0.00 177.57 179.20 2qbj h PRO 19 N -0.01 0.02 -0.29 1.57 0.13 -1.75 -2.51 132.00 129.16 2qbj h PRO 19 Ca 0.21 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.41 2qbj h PRO 19 Cb 0.47 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.53 2qbj h PRO 19 CO -0.95 0.05 -0.17 0.78 -0.23 0.00 0.00 178.00 177.49 2qbj h GLY 20 N -0.02 0.04 -0.05 1.56 0.00 -1.43 -2.28 103.07 100.89 2qbj h GLY 20 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.58 2qbj h GLY 20 CO -0.00 -0.17 -0.50 -0.33 0.00 0.00 0.00 176.54 175.53 2qbj h MET 21 N -0.14 -0.56 -0.75 4.80 2.86 -0.44 -2.12 114.93 118.58 2qbj h MET 21 Ca 0.15 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.98 2qbj h MET 21 Cb 0.37 0.13 -0.14 0.00 0.06 0.00 0.00 31.60 32.01 2qbj h MET 21 CO -0.37 -0.38 -0.21 0.82 1.06 0.00 0.00 176.91 177.83 2qbj h ILE 22 N -0.58 0.23 -0.36 -1.22 2.04 -1.01 -0.66 117.51 115.94 2qbj h ILE 22 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 2qbj h ILE 22 Cb 0.68 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2qbj h ILE 22 CO -0.40 0.00 0.01 -0.08 0.00 0.00 0.00 178.15 177.68 2qbj h GLU 23 N -0.02 0.11 -0.32 2.37 4.81 -0.84 0.21 114.58 120.90 2qbj h GLU 23 Ca 0.35 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2qbj h GLU 23 Cb 0.56 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2qbj h GLU 23 CO -0.78 0.07 0.15 0.00 -0.73 0.00 0.00 179.01 177.72 2qbj h ARG 24 N 0.11 0.46 0.36 1.92 -0.00 -0.78 0.28 114.38 116.72 2qbj h ARG 24 Ca 0.18 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 2qbj h ARG 24 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.13 2qbj h ARG 24 CO -0.29 0.43 -0.17 1.88 0.00 0.00 0.00 179.97 181.82 2qbj h TYR 25 N 0.37 -0.45 -0.26 3.04 0.99 -0.81 0.22 116.97 120.08 2qbj h TYR 25 Ca 0.11 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.84 2qbj h TYR 25 Cb 0.13 0.15 -0.02 0.00 1.00 0.00 0.00 36.73 37.99 2qbj h TYR 25 CO -0.02 -0.27 0.14 1.79 -0.00 0.00 0.00 178.16 179.81 2qbj h THR 26 N -0.50 1.02 0.20 -2.88 1.35 -0.53 -0.58 112.91 110.99 2qbj h THR 26 Ca -0.05 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 2qbj h THR 26 Cb 0.38 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 2qbj h THR 26 CO 0.08 0.06 -0.10 0.00 -0.25 0.00 0.00 175.52 175.31 2qbj h ALA 27 N 1.12 -0.27 -0.61 6.62 0.00 -0.34 0.70 119.26 126.48 2qbj h ALA 27 Ca 0.10 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2qbj h ALA 27 Cb 0.01 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2qbj h ALA 27 CO -0.06 -0.62 0.28 0.00 0.00 0.00 0.00 179.25 178.85 2qbj h ALA 28 N 0.46 0.80 0.59 0.00 0.00 -0.44 0.40 119.26 121.07 2qbj h ALA 28 Ca -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2qbj h ALA 28 Cb 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qbj h ALA 28 CO 0.05 -0.10 -0.28 0.82 0.00 0.00 0.00 179.25 179.73 2qbj h ILE 29 N 0.51 0.35 -0.39 0.00 2.04 -0.93 -2.95 117.51 116.14 2qbj h ILE 29 Ca 0.29 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2qbj h ILE 29 Cb 0.29 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 2qbj h ILE 29 CO -0.24 0.03 0.10 0.74 0.00 0.00 0.00 178.15 178.78 2qbj h THR 30 N -0.96 0.84 -0.65 -0.27 2.02 -0.61 0.21 112.91 113.50 2qbj h THR 30 Ca -0.08 -0.08 0.12 0.00 0.77 0.00 0.00 66.41 67.14 2qbj h THR 30 Cb 0.66 0.57 -0.12 0.00 -1.74 0.00 0.00 68.15 67.52 2qbj h THR 30 CO 0.13 0.04 -0.25 1.23 0.37 0.00 0.00 175.52 177.04 2qbj h GLY 31 N 0.24 0.20 -3.19 2.16 0.00 -0.19 0.27 103.07 102.56 2qbj h GLY 31 Ca 0.18 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 2qbj h GLY 31 CO -0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 176.54 176.07 2qbj n ALA 32 N -3.16 3.68 -2.13 3.60 0.00 -0.99 -4.64 120.51 116.87 2qbj n ALA 32 Ca 0.07 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 2qbj n ALA 32 Cb 0.36 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2qbj n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qbj n GLU 33 N 1.62 -1.65 0.00 0.00 -0.58 0.86 -4.90 120.64 115.99 2qbj n GLU 33 Ca 0.01 1.03 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 2qbj n GLU 33 Cb 0.43 -5.59 0.00 0.00 -0.57 0.00 0.00 31.44 25.72 2qbj n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbj n GLY 34 N -0.78 -2.82 3.15 0.62 0.00 0.70 -4.95 105.19 101.11 2qbj n GLY 34 Ca -0.22 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.50 2qbj n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbj s LYS 35 N -1.98 0.24 0.02 1.61 2.20 -1.25 -4.69 119.74 115.90 2qbj s LYS 35 Ca 0.00 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 2qbj s LYS 35 Cb 0.00 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 2qbj s LYS 35 CO 0.00 -0.41 1.01 0.42 -0.36 0.00 0.00 175.35 176.01 2qbj s ILE 36 N 2.93 4.71 -0.54 5.43 1.01 -1.26 -0.78 121.20 132.70 2qbj s ILE 36 Ca 0.18 1.97 0.10 0.00 0.00 0.00 0.00 60.65 62.90 2qbj s ILE 36 Cb -0.06 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 2qbj s ILE 36 CO -0.21 0.17 0.45 1.41 0.00 0.00 0.00 174.94 176.76 2qbj n HIS 37 N 3.78 0.00 -3.57 3.97 8.25 -1.26 -4.94 115.22 121.45 2qbj n HIS 37 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 2qbj n HIS 37 Cb 0.50 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 2qbj n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qbj s ARG 38 N -1.81 1.14 -0.30 -0.41 3.52 -1.19 -4.56 118.95 115.34 2qbj s ARG 38 Ca 0.04 -0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 54.98 2qbj s ARG 38 Cb 0.07 0.47 0.17 0.00 -1.56 0.00 0.00 34.95 34.10 2qbj s ARG 38 CO 0.37 -0.51 1.05 -1.17 -0.81 0.00 0.00 175.30 174.23 2qbj s LEU 39 N -2.70 -0.44 -0.06 -0.88 1.98 -1.26 -4.31 118.68 111.01 2qbj s LEU 39 Ca 0.06 0.65 -0.03 0.00 -2.89 0.00 0.00 54.13 51.92 2qbj s LEU 39 Cb -0.02 1.56 0.04 0.00 0.66 0.00 0.00 46.19 48.44 2qbj s LEU 39 CO -0.06 -0.10 0.12 -1.61 -1.89 0.00 0.00 176.35 172.81 2qbj s GLU 40 N 1.82 -0.01 -1.23 1.98 2.02 -1.26 -4.98 118.70 117.04 2qbj s GLU 40 Ca -0.05 0.47 -0.14 0.00 0.02 0.00 0.00 54.97 55.27 2qbj s GLU 40 Cb -0.04 -0.36 0.16 0.00 0.10 0.00 0.00 34.13 33.99 2qbj s GLU 40 CO -0.15 -0.31 1.52 -3.47 0.02 0.00 0.00 175.26 172.87 2qbj n ASP 41 N 5.22 5.18 0.13 -0.19 2.03 -1.26 -1.81 116.55 125.85 2qbj n ASP 41 Ca -0.06 -2.99 0.18 0.00 0.52 0.00 0.00 54.79 52.45 2qbj n ASP 41 Cb 0.50 -1.58 0.64 0.00 -0.72 0.00 0.00 41.12 39.97 2qbj n ASP 41 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 2qbj h TRP 42 N 7.00 0.00 -3.23 -0.67 4.06 -1.85 -3.47 115.95 117.79 2qbj h TRP 42 Ca 0.34 0.00 0.37 0.00 2.06 0.00 0.00 58.89 61.66 2qbj h TRP 42 Cb 0.84 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.88 2qbj h TRP 42 CO 1.15 0.00 -0.69 0.41 -3.56 0.00 0.00 178.44 175.75 2qbj n GLY 43 N -1.46 -2.17 3.44 1.49 0.00 -1.08 -4.74 105.19 100.66 2qbj n GLY 43 Ca 0.07 -1.07 -0.48 0.00 0.00 0.00 0.00 46.02 44.54 2qbj n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbj n ARG 44 N -4.19 0.23 -3.55 1.61 0.63 -1.26 -3.34 116.66 106.78 2qbj n ARG 44 Ca -0.01 0.08 -0.14 0.00 -0.92 0.00 0.00 57.85 56.86 2qbj n ARG 44 Cb 0.67 -1.16 -0.05 0.00 0.45 0.00 0.00 32.46 32.37 2qbj n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qbj s ARG 45 N -1.05 1.08 1.32 -0.14 3.52 -0.87 -4.93 118.95 117.88 2qbj s ARG 45 Ca 0.64 -0.28 -0.18 0.00 -0.13 0.00 0.00 55.73 55.79 2qbj s ARG 45 Cb -0.90 0.49 0.34 0.00 -1.56 0.00 0.00 34.95 33.32 2qbj s ARG 45 CO 0.57 -0.40 0.96 -1.14 -0.81 0.00 0.00 175.30 174.47 2qbj s GLN 46 N -2.68 -2.14 -0.02 5.12 2.00 -1.26 -1.61 119.66 119.07 2qbj s GLN 46 Ca -0.04 0.51 0.01 0.00 -2.00 0.00 0.00 55.36 53.84 2qbj s GLN 46 Cb -0.00 -1.44 0.01 0.00 0.80 0.00 0.00 33.01 32.38 2qbj s GLN 46 CO -0.04 -4.45 -0.02 -0.51 -0.50 0.00 0.00 175.29 169.78 2qbj s LEU 47 N -7.64 1.57 0.05 3.68 1.43 -0.73 -4.54 118.68 112.51 2qbj s LEU 47 Ca 0.69 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.42 2qbj s LEU 47 Cb -0.20 -0.22 -0.17 0.00 0.03 0.00 0.00 46.19 45.63 2qbj s LEU 47 CO 0.62 -0.03 1.47 0.00 0.23 0.00 0.00 176.35 178.64 2qbj h ALA 48 N 6.69 -1.29 -3.78 4.21 0.00 -1.97 -3.43 119.26 119.68 2qbj h ALA 48 Ca -0.35 -0.24 -0.68 0.00 0.00 0.00 0.00 54.91 53.64 2qbj h ALA 48 Cb 1.16 0.44 -0.19 0.00 0.00 0.00 0.00 17.79 19.20 2qbj h ALA 48 CO 0.49 -1.22 -0.76 1.52 0.00 0.00 0.00 179.25 179.28 2qbj s TYR 49 N -5.44 2.69 -1.05 0.00 1.13 -1.26 -5.03 117.35 108.38 2qbj s TYR 49 Ca -0.16 -0.17 -0.23 0.00 -1.41 0.00 0.00 57.07 55.10 2qbj s TYR 49 Cb 0.02 -1.50 -0.11 0.00 -1.10 0.00 0.00 41.96 39.26 2qbj s TYR 49 CO 0.49 0.32 1.92 -0.35 -2.51 0.00 0.00 175.55 175.43 2qbj n PRO 50 N 1.39 1.57 -1.70 -3.49 -0.04 -1.26 -4.88 135.00 126.59 2qbj n PRO 50 Ca -0.15 -2.28 -0.23 0.00 -0.04 0.00 0.00 63.50 60.79 2qbj n PRO 50 Cb 0.52 -3.48 -0.05 0.00 -0.04 0.00 0.00 33.50 30.45 2qbj n PRO 50 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2qbj s ILE 51 N 9.17 3.12 -1.04 0.52 2.07 -1.26 -2.82 121.20 130.96 2qbj s ILE 51 Ca 0.65 -0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.77 2qbj s ILE 51 Cb 0.04 -3.28 -0.06 0.00 0.13 0.00 0.00 42.46 39.29 2qbj s ILE 51 CO 0.13 -0.27 0.90 -3.20 -1.91 0.00 0.00 174.94 170.60 2qbj n ASN 52 N 16.67 -6.61 -1.07 4.50 5.15 -1.26 -4.76 115.26 127.88 2qbj n ASN 52 Ca 0.41 -0.71 0.11 0.00 -0.60 0.00 0.00 54.58 53.79 2qbj n ASN 52 Cb 0.47 -5.08 -0.03 0.00 -0.53 0.00 0.00 39.78 34.62 2qbj n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qbj n LYS 53 N -3.24 -1.56 -2.80 1.20 4.76 -1.13 -5.01 118.16 110.38 2qbj n LYS 53 Ca -0.07 1.03 -0.02 0.00 -2.87 0.00 0.00 58.31 56.38 2qbj n LYS 53 Cb 0.61 -1.90 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 2qbj n LYS 53 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qbj n LEU 54 N 0.00 -6.37 -0.78 -0.35 7.99 -1.26 -4.76 117.00 111.47 2qbj n LEU 54 Ca 0.01 1.49 0.00 0.00 -0.01 0.00 0.00 56.01 57.50 2qbj n LEU 54 Cb 0.35 -2.85 0.00 0.00 -0.11 0.00 0.00 43.42 40.82 2qbj n LEU 54 CO 0.01 -3.16 0.30 1.41 -1.51 0.00 0.00 177.39 174.43 2qbj n HIS 55 N 1.32 0.00 -3.68 -1.77 8.25 -1.26 -4.58 115.22 113.50 2qbj n HIS 55 Ca -0.13 -0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.02 2qbj n HIS 55 Cb 0.28 -0.15 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 2qbj n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qbj s LYS 56 N -0.31 0.33 0.02 -0.41 1.02 -1.26 -1.78 119.74 117.35 2qbj s LYS 56 Ca 0.00 0.85 0.03 0.00 0.02 0.00 0.00 55.97 56.88 2qbj s LYS 56 Cb 0.00 0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.39 2qbj s LYS 56 CO 0.00 -0.20 -0.10 0.00 -0.92 0.00 0.00 175.35 174.12 2qbj s ALA 57 N 1.92 0.84 -0.21 5.17 0.00 -0.63 -4.03 121.76 124.82 2qbj s ALA 57 Ca -0.06 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 2qbj s ALA 57 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2qbj s ALA 57 CO -0.12 0.15 0.79 -1.58 0.00 0.00 0.00 175.76 175.00 2qbj s HIS 58 N -0.68 3.36 0.22 0.00 2.46 -0.16 -2.05 115.29 118.45 2qbj s HIS 58 Ca -0.00 1.13 0.06 0.00 0.47 0.00 0.00 55.06 56.72 2qbj s HIS 58 Cb -0.06 -2.99 -0.03 0.00 -0.13 0.00 0.00 32.58 29.37 2qbj s HIS 58 CO 0.00 -0.30 0.23 0.71 -2.47 0.00 0.00 174.74 172.91 2qbj s TYR 59 N 2.42 3.22 0.08 3.88 1.51 -1.21 0.15 117.35 127.40 2qbj s TYR 59 Ca 0.35 -0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.26 2qbj s TYR 59 Cb -0.16 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 2qbj s TYR 59 CO 0.10 0.50 0.21 0.08 -1.11 0.00 0.00 175.55 175.33 2qbj s VAL 60 N -1.99 0.13 0.00 0.71 1.01 -1.15 -2.52 120.40 116.58 2qbj s VAL 60 Ca 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2qbj s VAL 60 Cb -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2qbj s VAL 60 CO 0.26 -0.59 0.00 -0.11 0.00 0.00 0.00 175.10 174.66 2qbj n LEU 61 N 0.08 0.00 0.00 3.92 -0.00 -0.75 -3.08 117.00 117.17 2qbj n LEU 61 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2qbj n LEU 61 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2qbj n LEU 61 CO 0.22 -0.01 0.00 0.80 -0.00 0.00 0.00 177.39 178.40 2qbj n MET 62 N -0.02 0.00 -1.13 1.96 1.56 -0.90 -4.60 117.12 113.99 2qbj n MET 62 Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.38 2qbj n MET 62 Cb 0.00 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.35 2qbj n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qbj n ASN 63 N -1.28 -5.41 -4.43 6.12 4.13 -1.05 -3.17 115.26 110.15 2qbj n ASN 63 Ca 0.00 0.11 -0.35 0.00 1.68 0.00 0.00 54.58 56.02 2qbj n ASN 63 Cb 0.00 -3.31 0.09 0.00 -1.54 0.00 0.00 39.78 35.01 2qbj n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2qbj n VAL 64 N -2.25 1.12 -3.32 2.41 0.31 -1.15 -4.36 118.33 111.09 2qbj n VAL 64 Ca -0.05 -0.33 -0.27 0.00 -0.01 0.00 0.00 64.34 63.68 2qbj n VAL 64 Cb 0.46 -0.68 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 2qbj n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbj n GLU 65 N -0.96 2.73 -4.33 5.55 2.13 0.04 -1.19 120.64 124.60 2qbj n GLU 65 Ca 0.09 -4.71 -0.24 0.00 0.66 0.00 0.00 57.16 52.95 2qbj n GLU 65 Cb 0.51 -2.26 -0.08 0.00 0.27 0.00 0.00 31.44 29.88 2qbj n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qbj s ALA 66 N -2.68 3.19 0.37 4.31 0.00 -1.01 -3.91 121.76 122.03 2qbj s ALA 66 Ca 0.41 -1.91 -0.28 0.00 0.00 0.00 0.00 51.96 50.18 2qbj s ALA 66 Cb 0.17 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.76 2qbj s ALA 66 CO -0.03 0.10 1.33 -1.25 0.00 0.00 0.00 175.76 175.91 2qbj s PRO 67 N -3.71 4.18 0.30 0.00 0.04 -1.26 -3.84 135.00 130.71 2qbj s PRO 67 Ca 0.34 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.64 2qbj s PRO 67 Cb -0.01 -2.94 0.71 0.00 0.04 0.00 0.00 34.50 32.30 2qbj s PRO 67 CO 0.19 -0.35 1.58 -0.56 0.04 0.00 0.00 177.00 177.90 2qbj h GLN 68 N 3.07 0.02 -0.52 4.56 3.07 -1.98 -2.41 115.11 120.91 2qbj h GLN 68 Ca -0.49 -0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.29 2qbj h GLN 68 Cb 1.24 -0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.72 2qbj h GLN 68 CO 0.64 0.01 -0.38 1.49 0.09 0.00 0.00 178.83 180.68 2qbj h GLU 69 N 0.02 -0.09 -0.01 0.06 4.22 -1.99 0.12 114.58 116.90 2qbj h GLU 69 Ca 0.58 0.01 0.01 0.00 0.08 0.00 0.00 59.36 60.04 2qbj h GLU 69 Cb 1.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2qbj h GLU 69 CO -0.90 -0.06 -0.05 -0.39 -2.18 0.00 0.00 179.01 175.42 2qbj h VAL 70 N -0.10 0.86 -0.37 0.32 -1.51 -1.81 -1.62 116.25 112.03 2qbj h VAL 70 Ca 0.08 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.66 2qbj h VAL 70 Cb 0.32 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 2qbj h VAL 70 CO -0.54 0.00 0.27 0.16 -1.23 0.00 0.00 177.57 176.23 2qbj h ILE 71 N -0.08 0.77 -0.10 7.19 3.07 -1.37 0.31 117.51 127.29 2qbj h ILE 71 Ca 0.03 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.42 2qbj h ILE 71 Cb 0.12 0.81 -0.00 0.00 -0.27 0.00 0.00 36.82 37.47 2qbj h ILE 71 CO -0.06 0.00 -0.01 -0.78 -1.05 0.00 0.00 178.15 176.24 2qbj h ASP 72 N 0.00 0.19 -0.94 2.16 3.58 0.16 0.73 116.42 122.30 2qbj h ASP 72 Ca 0.17 -0.35 0.21 0.00 0.42 0.00 0.00 57.03 57.49 2qbj h ASP 72 Cb 0.72 -0.05 -0.12 0.00 1.72 0.00 0.00 39.33 41.60 2qbj h ASP 72 CO -0.00 0.49 0.49 -0.33 -2.88 0.00 0.00 179.24 177.01 2qbj h GLU 73 N -0.12 0.53 -0.07 0.28 4.39 -0.32 0.66 114.58 119.93 2qbj h GLU 73 Ca 0.03 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 2qbj h GLU 73 Cb 0.40 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2qbj h GLU 73 CO 0.01 0.35 -0.78 1.25 -1.16 0.00 0.00 179.01 178.67 2qbj h LEU 74 N 0.54 0.81 -1.73 1.33 5.85 -0.90 -2.86 115.31 118.35 2qbj h LEU 74 Ca 0.57 -0.69 0.20 0.00 0.84 0.00 0.00 57.88 58.81 2qbj h LEU 74 Cb 1.02 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2qbj h LEU 74 CO -0.46 1.38 0.56 -0.33 -0.34 0.00 0.00 178.44 179.25 2qbj h GLU 75 N 0.30 0.22 0.13 1.25 5.08 0.28 -2.07 114.58 119.78 2qbj h GLU 75 Ca -0.08 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.00 2qbj h GLU 75 Cb 1.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2qbj h GLU 75 CO 0.16 0.15 -1.35 1.79 -1.00 0.00 0.00 179.01 178.76 2qbj h THR 76 N 0.23 1.11 -0.81 1.13 1.35 -1.37 -3.35 112.91 111.20 2qbj h THR 76 Ca 0.41 -2.44 0.16 0.00 -0.55 0.00 0.00 66.41 63.98 2qbj h THR 76 Cb 1.25 2.81 -0.06 0.00 -1.73 0.00 0.00 68.15 70.43 2qbj h THR 76 CO -0.10 0.72 0.54 0.71 -0.25 0.00 0.00 175.52 177.15 2qbj h THR 77 N -0.26 0.78 -0.51 6.82 1.35 -1.15 0.18 112.91 120.12 2qbj h THR 77 Ca -0.28 -0.16 0.15 0.00 -0.55 0.00 0.00 66.41 65.57 2qbj h THR 77 Cb 1.79 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 2qbj h THR 77 CO 0.09 0.09 0.37 -0.26 -0.25 0.00 0.00 175.52 175.56 2qbj h PHE 78 N 0.47 0.00 0.01 4.73 0.05 -1.55 0.10 116.94 120.75 2qbj h PHE 78 Ca 0.41 0.00 -0.19 0.00 3.82 0.00 0.00 57.97 62.00 2qbj h PHE 78 Cb 0.88 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.81 2qbj h PHE 78 CO -0.00 0.00 -0.92 0.00 -0.18 0.00 0.00 178.31 177.21 2qbj h ARG 79 N 0.00 0.03 -1.04 1.51 2.47 -0.82 -3.27 114.38 113.27 2qbj h ARG 79 Ca 0.24 -0.04 -0.68 0.00 -1.26 0.00 0.00 59.98 58.24 2qbj h ARG 79 Cb 0.99 0.01 -0.29 0.00 -1.65 0.00 0.00 29.97 29.03 2qbj h ARG 79 CO -0.00 0.93 0.87 1.19 0.56 0.00 0.00 179.97 183.51 2qbj n PHE 80 N -3.48 3.22 -3.19 3.04 3.72 0.33 -4.57 117.46 116.53 2qbj n PHE 80 Ca -0.01 -3.00 -0.22 0.00 -0.05 0.00 0.00 57.45 54.17 2qbj n PHE 80 Cb 0.86 -1.44 -0.06 0.00 -0.94 0.00 0.00 39.48 37.91 2qbj n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2qbj n ASN 81 N -0.90 0.72 -0.14 4.37 2.85 -1.10 -4.98 115.26 116.08 2qbj n ASN 81 Ca 0.62 -2.87 0.13 0.00 -0.11 0.00 0.00 54.58 52.35 2qbj n ASN 81 Cb 0.65 -0.63 0.23 0.00 1.24 0.00 0.00 39.78 41.26 2qbj n ASN 81 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2qbj n ASP 82 N 0.93 0.11 -0.28 1.20 10.43 -1.26 0.15 116.55 127.83 2qbj n ASP 82 Ca 0.23 0.56 0.07 0.00 2.57 0.00 0.00 54.79 58.22 2qbj n ASP 82 Cb 0.57 -0.28 0.21 0.00 1.84 0.00 0.00 41.12 43.46 2qbj n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbj h ALA 83 N 0.67 1.19 -2.29 2.24 0.00 -1.94 -3.42 119.26 115.71 2qbj h ALA 83 Ca 0.31 0.11 -0.49 0.00 0.00 0.00 0.00 54.91 54.84 2qbj h ALA 83 Cb 0.90 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2qbj h ALA 83 CO -0.24 -0.17 0.13 0.54 0.00 0.00 0.00 179.25 179.52 2qbj s VAL 84 N -5.99 4.69 0.00 0.00 0.11 0.40 -1.13 120.40 118.49 2qbj s VAL 84 Ca -0.12 0.88 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 2qbj s VAL 84 Cb 0.21 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2qbj s VAL 84 CO 0.77 -0.34 0.00 -0.38 -3.33 0.00 0.00 175.10 171.82 2qbj n ILE 85 N -0.77 0.00 -1.93 7.04 5.41 -0.89 -4.79 119.36 123.43 2qbj n ILE 85 Ca 0.04 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.40 2qbj n ILE 85 Cb 0.54 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.49 2qbj n ILE 85 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2qbj s ARG 86 N 3.14 3.42 0.08 0.38 3.00 -1.26 -4.91 118.95 122.80 2qbj s ARG 86 Ca 0.00 2.12 0.02 0.00 -1.00 0.00 0.00 55.73 56.87 2qbj s ARG 86 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 34.95 32.54 2qbj s ARG 86 CO 0.00 -0.93 -0.07 0.45 0.00 0.00 0.00 175.30 174.75 2qbj s SER 87 N -1.00 1.05 0.13 -2.12 0.15 -1.26 -3.14 113.70 107.50 2qbj s SER 87 Ca 0.67 -0.82 -0.14 0.00 0.70 0.00 0.00 55.95 56.36 2qbj s SER 87 Cb -0.37 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.03 2qbj s SER 87 CO 0.45 -0.35 0.37 -0.32 1.20 0.00 0.00 173.24 174.59 2qbj s MET 88 N -2.92 1.07 -0.29 5.44 1.75 -1.18 -5.04 119.30 118.14 2qbj s MET 88 Ca 0.03 -0.81 -0.15 0.00 -1.25 0.00 0.00 55.69 53.51 2qbj s MET 88 Cb -0.01 0.45 0.14 0.00 2.84 0.00 0.00 34.83 38.25 2qbj s MET 88 CO -0.03 -0.41 0.92 0.54 -0.65 0.00 0.00 175.02 175.39 2qbj s VAL 89 N -3.83 -0.20 0.00 10.11 0.11 -1.26 -2.23 120.40 123.09 2qbj s VAL 89 Ca 0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2qbj s VAL 89 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2qbj s VAL 89 CO -0.10 0.00 0.00 0.23 -3.33 0.00 0.00 175.10 171.90 2qbj n MET 90 N 4.23 2.51 0.00 1.54 2.81 -1.20 -4.93 117.12 122.08 2qbj n MET 90 Ca -0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 2qbj n MET 90 Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.07 2qbj n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qbj n ARG 91 N -0.28 3.66 0.00 0.03 1.85 -1.26 -3.41 116.66 117.25 2qbj n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2qbj n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2qbj n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qbj n THR 92 N 0.00 0.00 -1.65 8.89 -1.04 0.19 -3.50 114.28 117.16 2qbj n THR 92 Ca 0.00 0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 62.17 2qbj n THR 92 Cb 0.00 -1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 2qbj n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qbj n LYS 93 N 0.00 -0.74 -0.40 -2.82 5.02 -1.26 -4.62 118.16 113.34 2qbj n LYS 93 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 2qbj n LYS 93 Cb 0.00 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 2qbj n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qbj n HIS 94 N -3.24 -0.57 -1.42 2.13 8.25 -1.26 -4.77 115.22 114.35 2qbj n HIS 94 Ca -0.11 0.31 -0.27 0.00 -0.26 0.00 0.00 57.72 57.40 2qbj n HIS 94 Cb 0.43 -1.93 -0.19 0.00 1.12 0.00 0.00 29.99 29.42 2qbj n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbj n ALA 95 N -0.14 0.81 -1.77 -1.41 0.00 -1.26 -4.87 120.51 111.86 2qbj n ALA 95 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 2qbj n ALA 95 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 2qbj n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qbj s VAL 96 N 2.81 3.58 -0.24 0.00 1.01 -1.26 -5.04 120.40 121.26 2qbj s VAL 96 Ca 1.26 1.32 -0.21 0.00 0.00 0.00 0.00 61.98 64.34 2qbj s VAL 96 Cb -0.93 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 31.78 2qbj s VAL 96 CO 0.51 0.11 0.63 -0.89 0.00 0.00 0.00 175.10 175.46 2qbj s THR 97 N -1.50 -0.00 0.00 3.92 2.01 -1.26 -4.49 115.64 114.31 2qbj s THR 97 Ca 0.54 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2qbj s THR 97 Cb -0.26 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.37 2qbj s THR 97 CO 0.32 0.00 0.00 -1.84 -0.69 0.00 0.00 174.62 172.41 2qbj n GLU 98 N 2.83 0.00 0.00 4.92 0.00 -1.26 -5.05 120.64 122.08 2qbj n GLU 98 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 2qbj n GLU 98 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.00 2qbj n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbj n ALA 99 N -1.74 0.00 -0.83 -1.84 0.00 -1.26 -5.12 120.51 109.72 2qbj n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbj n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbj n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93