#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb s ARG 2 N 0.00 2.30 0.13 0.03 3.52 -1.25 -4.87 118.95 118.81 2qbb s ARG 2 Ca 0.00 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 2qbb s ARG 2 Cb 0.00 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 2qbb s ARG 2 CO 0.00 -1.11 0.06 -1.01 -0.81 0.00 0.00 175.30 172.43 2qbb s HIS 3 N -3.14 3.05 -0.25 5.12 3.76 -1.26 -2.66 115.29 119.91 2qbb s HIS 3 Ca 0.59 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 55.46 2qbb s HIS 3 Cb -0.11 -1.51 0.13 0.00 1.11 0.00 0.00 32.58 32.20 2qbb s HIS 3 CO 0.44 0.51 0.33 0.71 -0.85 0.00 0.00 174.74 175.88 2qbb s TYR 4 N -1.56 -0.67 -1.45 1.40 2.02 0.32 -1.06 117.35 116.35 2qbb s TYR 4 Ca 0.29 0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 57.31 2qbb s TYR 4 Cb -0.11 -0.17 0.04 0.00 -0.40 0.00 0.00 41.96 41.33 2qbb s TYR 4 CO 0.21 -0.76 2.20 -1.91 -1.57 0.00 0.00 175.55 173.72 2qbb n GLU 5 N 5.34 2.87 -2.36 -0.62 2.13 -1.24 -2.47 120.64 124.30 2qbb n GLU 5 Ca -0.03 -2.64 -0.38 0.00 0.66 0.00 0.00 57.16 54.77 2qbb n GLU 5 Cb 0.49 -3.30 -0.03 0.00 0.27 0.00 0.00 31.44 28.87 2qbb n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qbb s ILE 6 N 3.27 3.30 -0.11 6.31 1.10 -1.26 -3.74 121.20 130.08 2qbb s ILE 6 Ca 0.47 1.07 -0.04 0.00 -0.51 0.00 0.00 60.65 61.65 2qbb s ILE 6 Cb 0.13 -3.59 0.05 0.00 0.15 0.00 0.00 42.46 39.21 2qbb s ILE 6 CO -0.08 0.08 0.22 0.54 -2.11 0.00 0.00 174.94 173.59 2qbb s VAL 7 N -1.47 -0.28 -0.11 4.00 0.11 -1.05 -2.02 120.40 119.59 2qbb s VAL 7 Ca 0.57 0.28 0.01 0.00 -2.93 0.00 0.00 61.98 59.90 2qbb s VAL 7 Cb -0.29 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 2qbb s VAL 7 CO 0.36 0.12 -0.11 0.72 -3.33 0.00 0.00 175.10 172.85 2qbb s PHE 8 N 2.11 1.68 -0.27 1.54 -0.12 -1.23 -1.59 117.98 120.10 2qbb s PHE 8 Ca -0.01 -0.81 -0.15 0.00 -0.05 0.00 0.00 56.93 55.91 2qbb s PHE 8 Cb -0.12 -1.29 -0.04 0.00 -0.63 0.00 0.00 43.02 40.94 2qbb s PHE 8 CO -0.07 -0.49 0.40 0.00 -0.05 0.00 0.00 175.22 175.00 2qbb s MET 9 N 1.35 4.03 0.21 1.99 0.23 -1.21 -3.03 119.30 122.87 2qbb s MET 9 Ca -0.01 0.10 -0.02 0.00 -1.03 0.00 0.00 55.69 54.73 2qbb s MET 9 Cb -0.14 -3.65 -0.05 0.00 -1.53 0.00 0.00 34.83 29.47 2qbb s MET 9 CO -0.05 -0.28 0.42 0.08 -2.03 0.00 0.00 175.02 173.16 2qbb s VAL 10 N 2.08 5.16 0.35 5.16 1.01 -0.03 -1.72 120.40 132.42 2qbb s VAL 10 Ca 0.16 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 2qbb s VAL 10 Cb -0.16 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2qbb s VAL 10 CO 0.10 -0.19 1.48 1.57 0.00 0.00 0.00 175.10 178.07 2qbb n HIS 11 N -0.65 2.86 0.08 5.22 -0.00 0.15 -1.51 115.22 121.37 2qbb n HIS 11 Ca -0.04 0.42 -0.12 0.00 0.46 0.00 0.00 57.72 58.44 2qbb n HIS 11 Cb 0.54 -2.53 -0.05 0.00 -0.12 0.00 0.00 29.99 27.83 2qbb n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qbb h PRO 12 N 3.31 -0.34 -1.67 1.57 0.13 -1.89 -2.41 132.00 130.70 2qbb h PRO 12 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qbb h PRO 12 Cb 1.24 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2qbb h PRO 12 CO 0.67 -0.23 0.00 -0.25 -0.23 0.00 0.00 178.00 177.97 2qbb n ASP 13 N -5.33 2.78 0.00 1.44 9.92 -1.26 -1.55 116.55 122.55 2qbb n ASP 13 Ca -0.06 -1.63 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 2qbb n ASP 13 Cb 0.24 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 2qbb n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qbb n GLN 14 N 1.17 0.00 -0.33 -1.24 1.13 -0.91 -4.93 117.38 112.27 2qbb n GLN 14 Ca 0.00 -0.20 0.36 0.00 -1.94 0.00 0.00 57.00 55.22 2qbb n GLN 14 Cb 0.33 -0.24 0.75 0.00 0.11 0.00 0.00 30.24 31.19 2qbb n GLN 14 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2qbb h SER 15 N 0.00 0.00 -0.07 1.08 0.02 -1.25 0.20 113.55 113.53 2qbb h SER 15 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2qbb h SER 15 Cb 0.91 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 2qbb h SER 15 CO 0.00 0.00 0.06 1.05 -1.14 0.00 0.00 176.83 176.80 2qbb h GLU 16 N 0.00 0.00 0.00 3.45 9.09 -1.91 -1.18 114.58 124.02 2qbb h GLU 16 Ca 0.58 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.81 2qbb h GLU 16 Cb 2.34 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.42 2qbb h GLU 16 CO -0.01 0.00 -0.82 1.96 0.05 0.00 0.00 179.01 180.19 2qbb h GLN 17 N 0.00 0.00 -0.92 1.06 4.20 -1.01 -3.36 115.11 115.08 2qbb h GLN 17 Ca 0.03 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.88 2qbb h GLN 17 Cb 0.15 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.79 2qbb h GLN 17 CO -0.00 0.82 -0.37 0.28 -0.67 0.00 0.00 178.83 178.89 2qbb n VAL 18 N -3.41 -0.49 0.02 -0.54 0.31 -0.45 -0.45 118.33 113.33 2qbb n VAL 18 Ca 0.00 2.16 -0.12 0.00 -0.01 0.00 0.00 64.34 66.37 2qbb n VAL 18 Cb 0.83 -2.84 -0.07 0.00 -0.91 0.00 0.00 33.84 30.85 2qbb n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qbb h PRO 19 N 0.00 0.03 -0.51 5.55 0.13 -1.73 -2.20 132.00 133.27 2qbb h PRO 19 Ca 0.31 -0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.51 2qbb h PRO 19 Cb 0.54 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.60 2qbb h PRO 19 CO -0.91 0.11 0.16 0.78 -0.23 0.00 0.00 178.00 177.91 2qbb h GLY 20 N -0.05 0.67 0.53 1.56 0.00 -1.20 -1.73 103.07 102.84 2qbb h GLY 20 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2qbb h GLY 20 CO -0.00 -0.02 -0.37 -0.33 0.00 0.00 0.00 176.54 175.82 2qbb h MET 21 N 0.33 -0.68 -0.91 4.80 2.86 -0.62 -1.71 114.93 118.99 2qbb h MET 21 Ca 0.25 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 58.17 2qbb h MET 21 Cb 0.29 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2qbb h MET 21 CO -0.27 -0.46 0.62 0.82 1.06 0.00 0.00 176.91 178.68 2qbb h ILE 22 N -0.71 0.61 0.57 -1.22 2.04 -1.01 -1.92 117.51 115.88 2qbb h ILE 22 Ca -0.01 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2qbb h ILE 22 Cb 0.67 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2qbb h ILE 22 CO -0.11 0.05 -0.27 -0.08 0.00 0.00 0.00 178.15 177.73 2qbb h GLU 23 N 0.25 -0.74 -0.03 2.37 4.81 -0.41 -2.38 114.58 118.45 2qbb h GLU 23 Ca 0.46 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.76 2qbb h GLU 23 Cb 1.41 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 2qbb h GLU 23 CO -0.12 -0.43 -0.04 0.00 -0.73 0.00 0.00 179.01 177.68 2qbb h ARG 24 N -0.98 -0.06 0.00 1.92 -0.00 -1.06 -0.65 114.38 113.55 2qbb h ARG 24 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2qbb h ARG 24 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.63 2qbb h ARG 24 CO 0.13 -0.04 0.00 0.66 0.00 0.00 0.00 179.97 180.72 2qbb n TYR 25 N -5.15 0.00 -0.26 3.04 0.53 -0.78 0.82 117.16 115.36 2qbb n TYR 25 Ca -0.06 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 56.88 2qbb n TYR 25 Cb 0.09 -0.49 0.17 0.00 -1.03 0.00 0.00 39.34 38.07 2qbb n TYR 25 CO 0.00 0.00 0.00 1.79 -1.02 0.00 0.00 176.86 177.63 2qbb h THR 26 N 0.00 0.35 0.92 -0.72 1.35 -1.45 0.15 112.91 113.51 2qbb h THR 26 Ca 0.00 -0.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.77 2qbb h THR 26 Cb 0.00 0.22 0.01 0.00 -1.73 0.00 0.00 68.15 66.65 2qbb h THR 26 CO 0.00 0.02 -0.44 0.00 -0.25 0.00 0.00 175.52 174.85 2qbb h ALA 27 N 1.71 -1.23 -0.95 6.62 0.00 -0.71 0.17 119.26 124.86 2qbb h ALA 27 Ca 0.42 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 55.25 2qbb h ALA 27 Cb 0.75 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2qbb h ALA 27 CO -0.66 -1.18 0.61 0.00 0.00 0.00 0.00 179.25 178.02 2qbb h ALA 28 N -1.20 1.94 0.47 0.00 0.00 0.11 0.29 119.26 120.87 2qbb h ALA 28 Ca -0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2qbb h ALA 28 Cb 0.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2qbb h ALA 28 CO 0.21 -0.25 -0.23 0.82 0.00 0.00 0.00 179.25 179.80 2qbb h ILE 29 N 0.60 0.43 -0.44 0.00 2.04 -0.48 -3.01 117.51 116.66 2qbb h ILE 29 Ca 0.51 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2qbb h ILE 29 Cb 0.99 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2qbb h ILE 29 CO -0.26 0.06 0.24 0.71 0.00 0.00 0.00 178.15 178.91 2qbb h THR 30 N -0.92 1.01 -0.72 -0.27 1.35 -0.14 0.42 112.91 113.64 2qbb h THR 30 Ca -0.06 -0.17 0.21 0.00 -0.55 0.00 0.00 66.41 65.84 2qbb h THR 30 Cb 0.59 0.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.46 2qbb h THR 30 CO 0.11 0.09 0.57 1.23 -0.25 0.00 0.00 175.52 177.26 2qbb h GLY 31 N 0.48 0.00 -3.95 5.82 0.00 -0.49 0.43 103.07 105.36 2qbb h GLY 31 Ca 0.18 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.95 2qbb h GLY 31 CO -0.10 0.00 0.70 0.00 0.00 0.00 0.00 176.54 177.14 2qbb n ALA 32 N -2.59 5.81 -1.73 3.60 0.00 -0.61 -4.85 120.51 120.14 2qbb n ALA 32 Ca 0.14 -3.10 -0.14 0.00 0.00 0.00 0.00 53.44 50.35 2qbb n ALA 32 Cb 0.83 -1.53 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 2qbb n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qbb n GLU 33 N -1.07 -1.03 0.00 0.00 -0.58 0.15 -4.82 120.64 113.29 2qbb n GLU 33 Ca 0.60 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 58.22 2qbb n GLU 33 Cb 1.33 -5.04 0.00 0.00 -0.57 0.00 0.00 31.44 27.16 2qbb n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbb n GLY 34 N -1.17 -2.77 3.07 0.62 0.00 0.14 -4.90 105.19 100.18 2qbb n GLY 34 Ca -0.15 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.52 2qbb n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbb s LYS 35 N -2.98 0.32 -0.36 1.61 2.20 -1.26 -4.65 119.74 114.63 2qbb s LYS 35 Ca 0.00 0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.45 2qbb s LYS 35 Cb 0.00 0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.42 2qbb s LYS 35 CO 0.00 -0.55 1.48 0.42 -0.36 0.00 0.00 175.35 176.35 2qbb s ILE 36 N 2.57 3.85 -2.02 5.43 1.09 -1.26 -1.09 121.20 129.77 2qbb s ILE 36 Ca 0.20 0.89 0.21 0.00 -1.10 0.00 0.00 60.65 60.84 2qbb s ILE 36 Cb -0.03 -4.05 0.58 0.00 -1.06 0.00 0.00 42.46 37.91 2qbb s ILE 36 CO -0.20 -0.60 1.49 1.41 -0.10 0.00 0.00 174.94 176.94 2qbb n HIS 37 N 8.82 0.88 -3.59 3.97 8.25 -1.26 -4.97 115.22 127.31 2qbb n HIS 37 Ca 0.18 -0.44 0.02 0.00 -0.26 0.00 0.00 57.72 57.21 2qbb n HIS 37 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 2qbb n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qbb s ARG 38 N -1.12 0.03 -0.30 -0.41 3.52 -1.22 -3.99 118.95 115.45 2qbb s ARG 38 Ca 0.44 -0.01 -0.17 0.00 -0.13 0.00 0.00 55.73 55.86 2qbb s ARG 38 Cb 0.23 0.01 0.19 0.00 -1.56 0.00 0.00 34.95 33.83 2qbb s ARG 38 CO 0.30 -0.01 1.21 -1.17 -0.81 0.00 0.00 175.30 174.82 2qbb s LEU 39 N -2.62 -0.17 -0.04 -0.88 1.98 -1.26 -4.34 118.68 111.35 2qbb s LEU 39 Ca 0.14 0.25 -0.02 0.00 -2.89 0.00 0.00 54.13 51.61 2qbb s LEU 39 Cb 0.04 1.22 0.03 0.00 0.66 0.00 0.00 46.19 48.15 2qbb s LEU 39 CO -0.05 -0.04 0.07 -1.61 -1.89 0.00 0.00 176.35 172.83 2qbb s GLU 40 N 1.47 -0.07 -1.19 1.98 2.02 -1.26 -4.94 118.70 116.71 2qbb s GLU 40 Ca -0.05 0.40 -0.10 0.00 0.02 0.00 0.00 54.97 55.23 2qbb s GLU 40 Cb -0.02 -0.48 0.21 0.00 0.10 0.00 0.00 34.13 33.94 2qbb s GLU 40 CO -0.13 -0.32 1.47 -3.47 0.02 0.00 0.00 175.26 172.83 2qbb n ASP 41 N 5.27 5.42 0.15 -0.19 4.64 -1.26 -0.82 116.55 129.76 2qbb n ASP 41 Ca -0.04 -3.08 0.06 0.00 -1.38 0.00 0.00 54.79 50.35 2qbb n ASP 41 Cb 0.50 -1.47 0.30 0.00 -1.04 0.00 0.00 41.12 39.41 2qbb n ASP 41 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 2qbb n TRP 42 N 4.01 0.37 -3.11 -0.67 7.02 -1.17 -4.89 117.44 119.00 2qbb n TRP 42 Ca 0.33 0.19 0.05 0.00 -1.02 0.00 0.00 57.50 57.06 2qbb n TRP 42 Cb 0.39 -0.59 -0.01 0.00 -2.42 0.00 0.00 31.31 28.68 2qbb n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qbb n GLY 43 N -1.27 -1.01 3.66 6.99 0.00 -1.14 -4.68 105.19 107.73 2qbb n GLY 43 Ca -0.01 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 2qbb n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbb n ARG 44 N -2.28 1.88 -3.60 1.61 0.63 -1.26 -2.23 116.66 111.40 2qbb n ARG 44 Ca 0.00 0.66 -0.11 0.00 -0.92 0.00 0.00 57.85 57.48 2qbb n ARG 44 Cb 0.18 -2.20 -0.04 0.00 0.45 0.00 0.00 32.46 30.85 2qbb n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qbb s ARG 45 N -1.43 1.09 1.28 -0.14 3.00 -1.25 -4.91 118.95 116.59 2qbb s ARG 45 Ca 0.60 -0.63 -0.17 0.00 -1.00 0.00 0.00 55.73 54.53 2qbb s ARG 45 Cb -0.63 0.48 0.32 0.00 0.00 0.00 0.00 34.95 35.13 2qbb s ARG 45 CO 0.59 -0.43 0.98 -1.14 0.00 0.00 0.00 175.30 175.30 2qbb s GLN 46 N -3.65 -1.83 -0.04 5.12 2.00 -1.26 -2.16 119.66 117.85 2qbb s GLN 46 Ca 0.02 0.55 0.01 0.00 -2.00 0.00 0.00 55.36 53.93 2qbb s GLN 46 Cb 0.01 -1.47 0.02 0.00 0.80 0.00 0.00 33.01 32.37 2qbb s GLN 46 CO -0.11 -4.26 -0.03 -0.51 -0.50 0.00 0.00 175.29 169.88 2qbb s LEU 47 N -7.51 1.32 0.11 3.68 1.43 -1.09 -4.58 118.68 112.04 2qbb s LEU 47 Ca 0.69 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.41 2qbb s LEU 47 Cb -0.21 -0.37 -0.08 0.00 0.03 0.00 0.00 46.19 45.57 2qbb s LEU 47 CO 0.62 -0.06 1.62 0.00 0.23 0.00 0.00 176.35 178.76 2qbb h ALA 48 N 7.13 -0.54 -3.73 4.21 0.00 -1.96 -3.43 119.26 120.94 2qbb h ALA 48 Ca -0.40 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 53.89 2qbb h ALA 48 Cb 1.15 0.53 -0.22 0.00 0.00 0.00 0.00 17.79 19.24 2qbb h ALA 48 CO 0.48 -0.86 -0.83 1.52 0.00 0.00 0.00 179.25 179.55 2qbb s TYR 49 N -6.01 1.87 -0.81 0.00 1.13 -1.26 -5.03 117.35 107.24 2qbb s TYR 49 Ca -0.16 -0.41 -0.10 0.00 -1.41 0.00 0.00 57.07 54.99 2qbb s TYR 49 Cb 0.08 -1.03 -0.08 0.00 -1.10 0.00 0.00 41.96 39.83 2qbb s TYR 49 CO 0.65 0.22 1.98 -0.35 -2.51 0.00 0.00 175.55 175.54 2qbb n PRO 50 N 1.09 1.76 -1.51 -3.49 -0.04 -1.26 -4.88 135.00 126.68 2qbb n PRO 50 Ca -0.19 -1.49 -0.42 0.00 -0.04 0.00 0.00 63.50 61.36 2qbb n PRO 50 Cb 0.53 -2.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.37 2qbb n PRO 50 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2qbb n ILE 51 N 4.77 0.03 -3.52 0.52 3.06 -1.26 -0.45 119.36 122.51 2qbb n ILE 51 Ca 0.43 -0.42 -0.19 0.00 -2.50 0.00 0.00 62.75 60.07 2qbb n ILE 51 Cb 0.20 -1.86 0.07 0.00 0.54 0.00 0.00 39.64 38.59 2qbb n ILE 51 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2qbb n ASN 52 N 12.57 -2.14 -0.93 9.51 5.15 -1.26 -4.72 115.26 133.45 2qbb n ASN 52 Ca 0.46 -0.71 0.11 0.00 -0.60 0.00 0.00 54.58 53.83 2qbb n ASN 52 Cb 0.32 -4.70 -0.03 0.00 -0.53 0.00 0.00 39.78 34.83 2qbb n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qbb n LYS 53 N -4.11 -1.61 -1.61 1.20 4.76 0.40 -5.05 118.16 112.14 2qbb n LYS 53 Ca -0.27 1.06 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2qbb n LYS 53 Cb 0.67 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2qbb n LYS 53 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qbb n LEU 54 N 0.00 -2.23 -0.96 -0.35 7.99 -1.26 -4.82 117.00 115.37 2qbb n LEU 54 Ca 0.01 3.08 0.01 0.00 -0.01 0.00 0.00 56.01 59.10 2qbb n LEU 54 Cb 0.36 -3.04 0.21 0.00 -0.11 0.00 0.00 43.42 40.84 2qbb n LEU 54 CO 0.01 0.38 0.66 1.41 -1.51 0.00 0.00 177.39 178.33 2qbb n HIS 55 N -0.99 0.87 -3.75 -1.77 8.25 -1.26 -4.34 115.22 112.23 2qbb n HIS 55 Ca 0.00 -1.37 -0.13 0.00 -0.26 0.00 0.00 57.72 55.96 2qbb n HIS 55 Cb 0.03 -0.40 -0.13 0.00 1.12 0.00 0.00 29.99 30.60 2qbb n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qbb s LYS 56 N -3.12 0.19 -0.25 -0.41 1.02 -1.26 -2.68 119.74 113.24 2qbb s LYS 56 Ca 0.42 0.44 -0.04 0.00 0.02 0.00 0.00 55.97 56.81 2qbb s LYS 56 Cb 0.38 -0.08 0.08 0.00 -0.52 0.00 0.00 37.83 37.69 2qbb s LYS 56 CO 0.02 -0.13 0.10 0.00 -0.92 0.00 0.00 175.35 174.42 2qbb s ALA 57 N 0.96 0.70 -0.63 5.17 0.00 -0.92 -4.07 121.76 122.98 2qbb s ALA 57 Ca -0.07 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 2qbb s ALA 57 Cb -0.08 -1.29 -0.11 0.00 0.00 0.00 0.00 23.12 21.64 2qbb s ALA 57 CO -0.06 -1.46 2.42 1.58 0.00 0.00 0.00 175.76 178.25 2qbb n HIS 58 N 5.20 1.27 -1.65 0.00 -0.00 -0.57 -3.86 115.22 115.61 2qbb n HIS 58 Ca -0.06 0.08 -0.29 0.00 0.46 0.00 0.00 57.72 57.90 2qbb n HIS 58 Cb 0.45 -2.58 0.10 0.00 -0.12 0.00 0.00 29.99 27.84 2qbb n HIS 58 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2qbb s TYR 59 N 12.82 2.81 0.20 1.57 1.51 -0.95 -0.85 117.35 134.45 2qbb s TYR 59 Ca 0.98 0.96 -0.17 0.00 -1.01 0.00 0.00 57.07 57.84 2qbb s TYR 59 Cb -0.21 -3.27 0.03 0.00 -0.11 0.00 0.00 41.96 38.39 2qbb s TYR 59 CO 0.21 -1.89 0.52 0.08 -1.11 0.00 0.00 175.55 173.36 2qbb s VAL 60 N -3.30 0.03 0.03 0.71 1.01 -1.17 -2.87 120.40 114.84 2qbb s VAL 60 Ca 0.62 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2qbb s VAL 60 Cb -0.13 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 2qbb s VAL 60 CO 0.53 -0.12 0.00 -0.11 0.00 0.00 0.00 175.10 175.40 2qbb n LEU 61 N -0.34 0.00 0.00 3.92 -0.00 -0.00 -3.56 117.00 117.02 2qbb n LEU 61 Ca -0.10 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.71 2qbb n LEU 61 Cb 0.62 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 2qbb n LEU 61 CO 0.17 -0.03 0.00 0.80 -0.00 0.00 0.00 177.39 178.33 2qbb n MET 62 N -0.07 0.00 -1.34 1.96 1.56 -0.85 -4.52 117.12 113.85 2qbb n MET 62 Ca -0.01 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.30 2qbb n MET 62 Cb 0.04 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.36 2qbb n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qbb n ASN 63 N -1.89 -5.64 -4.60 6.12 4.13 -1.13 -3.40 115.26 108.85 2qbb n ASN 63 Ca 0.00 0.29 -0.41 0.00 1.68 0.00 0.00 54.58 56.14 2qbb n ASN 63 Cb 0.00 -4.17 0.02 0.00 -1.54 0.00 0.00 39.78 34.09 2qbb n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2qbb n VAL 64 N -2.25 2.58 -2.73 2.41 0.31 -1.03 -4.11 118.33 113.51 2qbb n VAL 64 Ca -0.12 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.39 2qbb n VAL 64 Cb 0.59 -1.11 -0.01 0.00 -0.91 0.00 0.00 33.84 32.39 2qbb n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbb n GLU 65 N -0.01 3.90 -3.86 5.55 2.13 -0.25 -0.52 120.64 127.58 2qbb n GLU 65 Ca 0.10 -4.68 -0.21 0.00 0.66 0.00 0.00 57.16 53.03 2qbb n GLU 65 Cb 0.41 -2.31 -0.04 0.00 0.27 0.00 0.00 31.44 29.77 2qbb n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qbb s ALA 66 N -3.78 3.80 0.54 4.31 0.00 -1.09 -4.00 121.76 121.54 2qbb s ALA 66 Ca 0.46 -1.61 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 2qbb s ALA 66 Cb 0.28 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 2qbb s ALA 66 CO -0.16 0.05 1.23 -1.25 0.00 0.00 0.00 175.76 175.62 2qbb s PRO 67 N -3.97 3.27 0.24 0.00 0.04 -1.26 -3.84 135.00 129.48 2qbb s PRO 67 Ca 0.40 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2qbb s PRO 67 Cb -0.06 -2.15 0.39 0.00 0.04 0.00 0.00 34.50 32.72 2qbb s PRO 67 CO 0.26 -0.99 1.63 -0.56 0.04 0.00 0.00 177.00 177.38 2qbb h GLN 68 N 1.39 0.06 -0.78 4.56 3.07 -1.99 -2.69 115.11 118.74 2qbb h GLN 68 Ca -0.50 -0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.31 2qbb h GLN 68 Cb 1.28 -0.01 -0.11 0.00 0.08 0.00 0.00 27.48 28.72 2qbb h GLN 68 CO 0.57 0.04 -0.57 1.49 0.09 0.00 0.00 178.83 180.45 2qbb h GLU 69 N 0.06 -0.14 -0.43 0.06 4.22 -1.99 0.27 114.58 116.63 2qbb h GLU 69 Ca 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.83 2qbb h GLU 69 Cb 0.67 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2qbb h GLU 69 CO -0.69 -0.10 0.22 -0.39 -2.18 0.00 0.00 179.01 175.87 2qbb h VAL 70 N -0.15 1.16 0.00 0.32 -1.51 -1.86 -2.08 116.25 112.13 2qbb h VAL 70 Ca 0.13 -0.44 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 2qbb h VAL 70 Cb 0.48 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2qbb h VAL 70 CO -0.81 0.18 -0.10 0.16 -1.23 0.00 0.00 177.57 175.76 2qbb h ILE 71 N 0.55 0.83 0.34 7.19 3.07 -1.20 -2.34 117.51 125.96 2qbb h ILE 71 Ca 0.15 -0.39 -0.02 0.00 1.55 0.00 0.00 64.86 66.15 2qbb h ILE 71 Cb 0.08 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 2qbb h ILE 71 CO -0.02 0.10 -0.16 -0.78 -1.05 0.00 0.00 178.15 176.24 2qbb h ASP 72 N 0.00 -0.39 -0.98 2.16 3.58 0.17 0.40 116.42 121.36 2qbb h ASP 72 Ca -0.00 -0.14 0.28 0.00 0.42 0.00 0.00 57.03 57.59 2qbb h ASP 72 Cb 0.22 0.10 -0.14 0.00 1.72 0.00 0.00 39.33 41.23 2qbb h ASP 72 CO 0.01 -0.05 0.53 -0.33 -2.88 0.00 0.00 179.24 176.52 2qbb h GLU 73 N -0.75 0.38 -0.08 0.28 4.39 -0.96 0.19 114.58 118.03 2qbb h GLU 73 Ca -0.05 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2qbb h GLU 73 Cb 0.51 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2qbb h GLU 73 CO 0.08 0.25 -0.07 1.25 -1.16 0.00 0.00 179.01 179.37 2qbb h LEU 74 N 0.40 0.20 -1.81 1.33 5.85 -1.00 -2.68 115.31 117.60 2qbb h LEU 74 Ca 0.68 -0.46 0.39 0.00 0.84 0.00 0.00 57.88 59.32 2qbb h LEU 74 Cb 1.44 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 2qbb h LEU 74 CO -0.57 0.62 0.93 -0.33 -0.34 0.00 0.00 178.44 178.75 2qbb h GLU 75 N -0.22 0.08 0.14 1.25 5.08 0.29 0.61 114.58 121.81 2qbb h GLU 75 Ca 0.01 -0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 2qbb h GLU 75 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2qbb h GLU 75 CO 0.02 0.05 -1.84 1.79 -1.00 0.00 0.00 179.01 178.03 2qbb h THR 76 N 0.08 0.81 -0.72 1.13 1.35 -1.42 -3.35 112.91 110.78 2qbb h THR 76 Ca 0.68 -2.47 0.21 0.00 -0.55 0.00 0.00 66.41 64.27 2qbb h THR 76 Cb 2.47 2.63 -0.03 0.00 -1.73 0.00 0.00 68.15 71.49 2qbb h THR 76 CO -0.11 0.85 0.56 0.71 -0.25 0.00 0.00 175.52 177.28 2qbb h THR 77 N 0.08 0.52 -0.13 6.82 1.35 -0.53 0.54 112.91 121.57 2qbb h THR 77 Ca -0.37 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.35 2qbb h THR 77 Cb 2.06 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 2qbb h THR 77 CO 0.13 0.00 -0.54 -0.26 -0.25 0.00 0.00 175.52 174.60 2qbb h PHE 78 N 0.00 0.46 0.00 4.73 0.05 -1.63 -2.81 116.94 117.74 2qbb h PHE 78 Ca 0.34 -0.16 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 2qbb h PHE 78 Cb 1.46 -0.09 -0.00 0.00 2.00 0.00 0.00 35.95 39.33 2qbb h PHE 78 CO 0.00 0.82 -0.00 0.00 -0.18 0.00 0.00 178.31 178.95 2qbb h ARG 79 N 0.28 0.00 -0.96 1.51 2.47 -0.08 -3.09 114.38 114.51 2qbb h ARG 79 Ca 0.01 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.14 2qbb h ARG 79 Cb 1.04 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.95 2qbb h ARG 79 CO 0.09 0.00 -0.48 1.19 0.56 0.00 0.00 179.97 181.33 2qbb n PHE 80 N -3.09 2.94 -3.27 3.04 3.72 -1.02 -4.82 117.46 114.96 2qbb n PHE 80 Ca 0.01 -2.49 -0.22 0.00 -0.05 0.00 0.00 57.45 54.69 2qbb n PHE 80 Cb 0.32 -0.50 -0.08 0.00 -0.94 0.00 0.00 39.48 38.28 2qbb n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2qbb s ASN 81 N -3.23 0.83 0.56 4.37 3.84 -1.17 -4.99 114.94 115.15 2qbb s ASN 81 Ca 0.53 -2.81 0.42 0.00 0.21 0.00 0.00 52.86 51.21 2qbb s ASN 81 Cb 0.42 0.03 1.45 0.00 -0.55 0.00 0.00 41.25 42.60 2qbb s ASN 81 CO -0.02 -0.15 1.45 0.47 -2.79 0.00 0.00 177.10 176.06 2qbb n ASP 82 N 2.86 0.00 -0.15 -4.21 10.43 -1.26 0.73 116.55 124.95 2qbb n ASP 82 Ca 0.28 0.90 -0.00 0.00 2.57 0.00 0.00 54.79 58.54 2qbb n ASP 82 Cb 0.50 -0.41 0.25 0.00 1.84 0.00 0.00 41.12 43.29 2qbb n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbb h ALA 83 N 0.83 1.40 -2.90 2.24 0.00 -1.94 -3.42 119.26 115.46 2qbb h ALA 83 Ca 0.79 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 54.98 2qbb h ALA 83 Cb 3.46 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 20.92 2qbb h ALA 83 CO -0.01 0.49 -0.30 0.54 0.00 0.00 0.00 179.25 179.96 2qbb s VAL 84 N -5.54 5.25 0.00 0.00 0.11 0.22 0.31 120.40 120.76 2qbb s VAL 84 Ca -0.10 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 2qbb s VAL 84 Cb 0.17 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2qbb s VAL 84 CO 0.78 0.47 0.00 -0.38 -3.33 0.00 0.00 175.10 172.64 2qbb n ILE 85 N 2.86 0.00 -0.93 7.04 5.41 -0.70 -4.83 119.36 128.20 2qbb n ILE 85 Ca -0.13 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.29 2qbb n ILE 85 Cb 0.52 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.60 2qbb n ILE 85 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2qbb s ARG 86 N 1.93 1.37 -0.06 0.38 3.52 -1.26 -4.90 118.95 119.93 2qbb s ARG 86 Ca 0.00 1.65 -0.12 0.00 -0.13 0.00 0.00 55.73 57.14 2qbb s ARG 86 Cb 0.00 -1.76 0.02 0.00 -1.56 0.00 0.00 34.95 31.66 2qbb s ARG 86 CO 0.00 -2.39 0.28 0.45 -0.81 0.00 0.00 175.30 172.83 2qbb s SER 87 N -2.41 -0.21 0.22 -2.12 0.15 -1.26 -3.34 113.70 104.72 2qbb s SER 87 Ca 0.70 0.29 0.02 0.00 0.70 0.00 0.00 55.95 57.65 2qbb s SER 87 Cb -0.26 0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 64.44 2qbb s SER 87 CO 0.54 -0.27 0.05 -0.32 1.20 0.00 0.00 173.24 174.44 2qbb s MET 88 N -0.62 1.30 -0.30 5.44 1.75 -0.62 -5.04 119.30 121.19 2qbb s MET 88 Ca -0.07 -1.67 -0.17 0.00 -1.25 0.00 0.00 55.69 52.52 2qbb s MET 88 Cb -0.04 -0.31 0.18 0.00 2.84 0.00 0.00 34.83 37.50 2qbb s MET 88 CO 0.02 -0.21 1.16 0.54 -0.65 0.00 0.00 175.02 175.88 2qbb s VAL 89 N -3.68 -0.24 0.00 10.11 0.11 -1.26 -2.52 120.40 122.91 2qbb s VAL 89 Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2qbb s VAL 89 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2qbb s VAL 89 CO 0.10 0.00 0.00 0.23 -3.33 0.00 0.00 175.10 172.10 2qbb n MET 90 N 4.76 2.42 0.00 1.54 2.81 -1.25 -4.94 117.12 122.47 2qbb n MET 90 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2qbb n MET 90 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.05 2qbb n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qbb n ARG 91 N -0.30 3.56 0.00 0.03 1.85 -1.26 -3.60 116.66 116.95 2qbb n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2qbb n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2qbb n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qbb n THR 92 N 0.00 0.00 -1.89 8.89 -1.04 -0.23 -3.96 114.28 116.06 2qbb n THR 92 Ca 0.00 0.19 -0.17 0.00 -2.04 0.00 0.00 64.05 62.04 2qbb n THR 92 Cb 0.00 -1.18 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 2qbb n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qbb n LYS 93 N 0.00 -1.23 -0.74 -2.82 5.02 -1.26 -4.43 118.16 112.69 2qbb n LYS 93 Ca 0.00 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 2qbb n LYS 93 Cb 0.00 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 29.75 2qbb n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qbb n HIS 94 N -3.25 -0.44 -1.62 2.13 8.25 -1.26 -4.94 115.22 114.09 2qbb n HIS 94 Ca -0.18 0.27 -0.48 0.00 -0.26 0.00 0.00 57.72 57.06 2qbb n HIS 94 Cb 0.60 -2.15 -0.05 0.00 1.12 0.00 0.00 29.99 29.50 2qbb n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbb n ALA 95 N 0.17 0.08 -2.87 -1.41 0.00 -1.26 -4.99 120.51 110.23 2qbb n ALA 95 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.65 2qbb n ALA 95 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 2qbb n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qbb s VAL 96 N 0.40 5.26 -0.46 0.00 1.01 -1.26 -5.06 120.40 120.29 2qbb s VAL 96 Ca 0.78 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.23 2qbb s VAL 96 Cb -0.81 -3.76 0.31 0.00 0.00 0.00 0.00 36.38 32.12 2qbb s VAL 96 CO 0.46 -0.18 1.05 0.41 0.00 0.00 0.00 175.10 176.84 2qbb n THR 97 N -0.77 -0.02 -3.79 3.92 -1.04 -1.26 -4.28 114.28 107.04 2qbb n THR 97 Ca -0.06 -1.75 0.00 0.00 -2.04 0.00 0.00 64.05 60.20 2qbb n THR 97 Cb 0.54 1.33 0.00 0.00 -1.82 0.00 0.00 70.33 70.38 2qbb n THR 97 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2qbb n GLU 98 N 0.58 -1.53 0.00 -2.82 0.00 -1.26 -5.04 120.64 110.58 2qbb n GLU 98 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 2qbb n GLU 98 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.12 2qbb n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbb n ALA 99 N 0.00 0.00 -0.79 -1.84 0.00 -1.26 -5.10 120.51 111.52 2qbb n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbb n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbb n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93