#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qb9 s ARG 2 N 0.00 2.08 0.14 0.03 3.52 -1.25 -4.86 118.95 118.61 2qb9 s ARG 2 Ca 0.00 -0.27 0.06 0.00 -0.13 0.00 0.00 55.73 55.39 2qb9 s ARG 2 Cb 0.00 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 2qb9 s ARG 2 CO 0.00 -1.33 0.03 -1.01 -0.81 0.00 0.00 175.30 172.18 2qb9 s HIS 3 N -3.30 2.97 -0.24 5.12 3.76 -1.26 -2.68 115.29 119.66 2qb9 s HIS 3 Ca 0.61 -0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 55.43 2qb9 s HIS 3 Cb -0.10 -1.47 0.12 0.00 1.11 0.00 0.00 32.58 32.24 2qb9 s HIS 3 CO 0.45 0.50 0.32 0.71 -0.85 0.00 0.00 174.74 175.88 2qb9 s TYR 4 N -1.56 -0.63 -1.43 1.40 2.02 0.40 -1.02 117.35 116.52 2qb9 s TYR 4 Ca 0.28 0.52 -0.13 0.00 -0.37 0.00 0.00 57.07 57.36 2qb9 s TYR 4 Cb -0.10 -0.15 0.06 0.00 -0.40 0.00 0.00 41.96 41.36 2qb9 s TYR 4 CO 0.20 -0.72 2.16 -1.91 -1.57 0.00 0.00 175.55 173.70 2qb9 n GLU 5 N 5.34 2.98 -2.34 -0.62 2.13 -1.23 -2.34 120.64 124.55 2qb9 n GLU 5 Ca -0.04 -2.77 -0.37 0.00 0.66 0.00 0.00 57.16 54.64 2qb9 n GLU 5 Cb 0.50 -3.25 -0.02 0.00 0.27 0.00 0.00 31.44 28.94 2qb9 n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qb9 s ILE 6 N 2.83 3.28 -0.12 6.31 1.10 -1.26 -3.76 121.20 129.58 2qb9 s ILE 6 Ca 0.46 1.01 -0.05 0.00 -0.51 0.00 0.00 60.65 61.57 2qb9 s ILE 6 Cb 0.13 -3.54 0.06 0.00 0.15 0.00 0.00 42.46 39.26 2qb9 s ILE 6 CO -0.07 0.04 0.25 0.54 -2.11 0.00 0.00 174.94 173.59 2qb9 s VAL 7 N -1.51 -0.33 -0.11 4.00 0.11 -1.05 -2.13 120.40 119.38 2qb9 s VAL 7 Ca 0.59 0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.92 2qb9 s VAL 7 Cb -0.28 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2qb9 s VAL 7 CO 0.35 0.11 -0.12 0.72 -3.33 0.00 0.00 175.10 172.83 2qb9 s PHE 8 N 2.21 1.71 -0.27 1.54 -0.12 -1.23 -1.66 117.98 120.15 2qb9 s PHE 8 Ca -0.00 -0.81 -0.15 0.00 -0.05 0.00 0.00 56.93 55.92 2qb9 s PHE 8 Cb -0.12 -1.30 -0.04 0.00 -0.63 0.00 0.00 43.02 40.94 2qb9 s PHE 8 CO -0.08 -0.47 0.37 0.00 -0.05 0.00 0.00 175.22 174.98 2qb9 s MET 9 N 1.24 4.02 0.19 1.99 0.23 -1.21 -2.99 119.30 122.76 2qb9 s MET 9 Ca -0.03 0.03 -0.02 0.00 -1.03 0.00 0.00 55.69 54.64 2qb9 s MET 9 Cb -0.14 -3.65 -0.05 0.00 -1.53 0.00 0.00 34.83 29.46 2qb9 s MET 9 CO -0.04 -0.27 0.40 0.08 -2.03 0.00 0.00 175.02 173.16 2qb9 s VAL 10 N 2.04 5.18 0.33 5.16 1.01 0.05 -1.66 120.40 132.52 2qb9 s VAL 10 Ca 0.15 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2qb9 s VAL 10 Cb -0.16 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 2qb9 s VAL 10 CO 0.10 -0.12 1.43 1.57 0.00 0.00 0.00 175.10 178.08 2qb9 n HIS 11 N -0.44 2.62 0.11 5.22 -0.00 0.16 -1.51 115.22 121.37 2qb9 n HIS 11 Ca -0.04 0.45 -0.12 0.00 0.46 0.00 0.00 57.72 58.47 2qb9 n HIS 11 Cb 0.53 -2.49 -0.06 0.00 -0.12 0.00 0.00 29.99 27.85 2qb9 n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qb9 h PRO 12 N 3.30 -0.40 -1.62 1.57 0.13 -1.89 -2.38 132.00 130.71 2qb9 h PRO 12 Ca -0.48 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2qb9 h PRO 12 Cb 1.26 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2qb9 h PRO 12 CO 0.68 -0.27 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 2qb9 n ASP 13 N -5.35 2.39 0.00 1.44 9.92 -1.26 -1.38 116.55 122.31 2qb9 n ASP 13 Ca -0.06 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.73 2qb9 n ASP 13 Cb 0.26 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 2qb9 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qb9 n GLN 14 N 1.08 0.00 -0.29 -1.24 1.13 -0.90 -4.92 117.38 112.23 2qb9 n GLN 14 Ca 0.00 -0.21 0.34 0.00 -1.94 0.00 0.00 57.00 55.19 2qb9 n GLN 14 Cb 0.31 -0.26 0.73 0.00 0.11 0.00 0.00 30.24 31.13 2qb9 n GLN 14 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2qb9 h SER 15 N 0.00 0.00 -0.07 1.08 0.02 -1.18 0.18 113.55 113.58 2qb9 h SER 15 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2qb9 h SER 15 Cb 0.91 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 2qb9 h SER 15 CO 0.00 0.00 0.06 1.05 -1.14 0.00 0.00 176.83 176.80 2qb9 h GLU 16 N 0.00 0.00 0.00 3.45 9.09 -1.91 -1.23 114.58 123.98 2qb9 h GLU 16 Ca 0.54 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.79 2qb9 h GLU 16 Cb 2.27 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.35 2qb9 h GLU 16 CO -0.01 0.00 -0.74 1.96 0.05 0.00 0.00 179.01 180.27 2qb9 h GLN 17 N 0.00 0.00 -0.92 1.06 4.20 -1.04 -3.35 115.11 115.06 2qb9 h GLN 17 Ca 0.03 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.88 2qb9 h GLN 17 Cb 0.15 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.78 2qb9 h GLN 17 CO -0.00 0.74 -0.37 0.28 -0.67 0.00 0.00 178.83 178.81 2qb9 n VAL 18 N -3.45 -0.50 -0.01 -0.54 0.31 -0.46 -0.43 118.33 113.25 2qb9 n VAL 18 Ca 0.00 2.17 -0.11 0.00 -0.01 0.00 0.00 64.34 66.39 2qb9 n VAL 18 Cb 0.78 -2.85 -0.06 0.00 -0.91 0.00 0.00 33.84 30.80 2qb9 n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qb9 h PRO 19 N 0.00 0.14 -0.54 5.55 0.13 -1.73 -2.16 132.00 133.38 2qb9 h PRO 19 Ca 0.31 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.49 2qb9 h PRO 19 Cb 0.54 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 2qb9 h PRO 19 CO -0.91 0.18 0.23 0.78 -0.23 0.00 0.00 178.00 178.04 2qb9 h GLY 20 N 0.07 0.75 0.61 1.56 0.00 -1.16 -1.72 103.07 103.18 2qb9 h GLY 20 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2qb9 h GLY 20 CO -0.01 0.04 -0.34 -0.33 0.00 0.00 0.00 176.54 175.90 2qb9 h MET 21 N 0.43 -0.68 -0.86 4.80 2.86 -0.59 -1.88 114.93 119.02 2qb9 h MET 21 Ca 0.26 0.05 0.21 0.00 -2.06 0.00 0.00 59.70 58.16 2qb9 h MET 21 Cb 0.26 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 2qb9 h MET 21 CO -0.23 -0.45 0.59 0.82 1.06 0.00 0.00 176.91 178.69 2qb9 h ILE 22 N -0.70 0.65 0.61 -1.22 2.04 -1.04 -1.95 117.51 115.89 2qb9 h ILE 22 Ca -0.02 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 2qb9 h ILE 22 Cb 0.64 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2qb9 h ILE 22 CO -0.08 0.04 -0.29 -0.08 0.00 0.00 0.00 178.15 177.75 2qb9 h GLU 23 N 0.24 -0.78 -0.10 2.37 4.81 -0.50 -2.44 114.58 118.17 2qb9 h GLU 23 Ca 0.43 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.73 2qb9 h GLU 23 Cb 1.31 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 2qb9 h GLU 23 CO -0.10 -0.47 -0.01 0.00 -0.73 0.00 0.00 179.01 177.69 2qb9 h ARG 24 N -1.03 0.01 0.00 1.92 -0.00 -1.08 -0.99 114.38 113.21 2qb9 h ARG 24 Ca -0.08 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 2qb9 h ARG 24 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.64 2qb9 h ARG 24 CO 0.14 0.01 0.00 0.66 0.00 0.00 0.00 179.97 180.78 2qb9 n TYR 25 N -5.13 0.00 -0.28 3.04 0.53 -0.78 0.66 117.16 115.20 2qb9 n TYR 25 Ca -0.05 0.00 0.05 0.00 -1.02 0.00 0.00 57.90 56.88 2qb9 n TYR 25 Cb 0.07 -0.42 0.14 0.00 -1.03 0.00 0.00 39.34 38.11 2qb9 n TYR 25 CO 0.00 0.00 0.00 1.79 -1.02 0.00 0.00 176.86 177.63 2qb9 h THR 26 N 0.00 0.24 0.96 -0.72 1.35 -1.46 0.14 112.91 113.42 2qb9 h THR 26 Ca 0.00 -0.01 -0.05 0.00 -0.55 0.00 0.00 66.41 65.80 2qb9 h THR 26 Cb 0.00 0.19 0.01 0.00 -1.73 0.00 0.00 68.15 66.62 2qb9 h THR 26 CO 0.00 0.01 -0.48 0.00 -0.25 0.00 0.00 175.52 174.79 2qb9 h ALA 27 N 1.78 -1.35 -0.99 6.62 0.00 -0.85 0.61 119.26 125.09 2qb9 h ALA 27 Ca 0.42 -0.29 0.21 0.00 0.00 0.00 0.00 54.91 55.26 2qb9 h ALA 27 Cb 0.72 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2qb9 h ALA 27 CO -0.77 -1.26 0.62 0.00 0.00 0.00 0.00 179.25 177.84 2qb9 h ALA 28 N -1.34 1.95 0.44 0.00 0.00 0.10 0.33 119.26 120.75 2qb9 h ALA 28 Ca -0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qb9 h ALA 28 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2qb9 h ALA 28 CO 0.20 -0.31 -0.21 0.82 0.00 0.00 0.00 179.25 179.74 2qb9 h ILE 29 N 0.57 0.47 -0.43 0.00 2.04 -0.45 -2.99 117.51 116.72 2qb9 h ILE 29 Ca 0.55 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.99 2qb9 h ILE 29 Cb 1.13 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2qb9 h ILE 29 CO -0.31 0.07 0.23 0.71 0.00 0.00 0.00 178.15 178.85 2qb9 h THR 30 N -0.90 0.99 -0.58 -0.27 1.35 0.09 0.42 112.91 114.01 2qb9 h THR 30 Ca -0.06 -0.16 0.17 0.00 -0.55 0.00 0.00 66.41 65.81 2qb9 h THR 30 Cb 0.57 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 2qb9 h THR 30 CO 0.10 0.08 0.49 1.23 -0.25 0.00 0.00 175.52 177.18 2qb9 h GLY 31 N 0.46 0.00 -3.99 5.82 0.00 -0.42 0.41 103.07 105.34 2qb9 h GLY 31 Ca 0.18 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.96 2qb9 h GLY 31 CO -0.12 0.00 0.70 0.00 0.00 0.00 0.00 176.54 177.12 2qb9 n ALA 32 N -2.51 5.74 -1.58 3.60 0.00 -0.57 -4.85 120.51 120.34 2qb9 n ALA 32 Ca 0.11 -3.01 -0.13 0.00 0.00 0.00 0.00 53.44 50.41 2qb9 n ALA 32 Cb 0.72 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2qb9 n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qb9 n GLU 33 N -1.11 -0.94 0.00 0.00 -0.58 0.14 -4.82 120.64 113.33 2qb9 n GLU 33 Ca 0.60 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 58.23 2qb9 n GLU 33 Cb 1.49 -4.98 0.00 0.00 -0.57 0.00 0.00 31.44 27.38 2qb9 n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qb9 n GLY 34 N -1.29 -2.76 3.13 0.62 0.00 0.14 -4.91 105.19 100.12 2qb9 n GLY 34 Ca -0.14 -1.38 0.05 0.00 0.00 0.00 0.00 46.02 44.55 2qb9 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qb9 s LYS 35 N -2.63 0.28 -0.39 1.61 2.20 -1.25 -4.66 119.74 114.90 2qb9 s LYS 35 Ca 0.00 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.55 2qb9 s LYS 35 Cb 0.00 0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2qb9 s LYS 35 CO 0.00 -0.51 1.41 0.42 -0.36 0.00 0.00 175.35 176.31 2qb9 s ILE 36 N 2.82 3.92 -2.09 5.43 1.09 -1.26 -0.87 121.20 130.24 2qb9 s ILE 36 Ca 0.22 0.95 0.21 0.00 -1.10 0.00 0.00 60.65 60.93 2qb9 s ILE 36 Cb -0.04 -4.17 0.55 0.00 -1.06 0.00 0.00 42.46 37.74 2qb9 s ILE 36 CO -0.23 -0.70 1.48 1.41 -0.10 0.00 0.00 174.94 176.80 2qb9 n HIS 37 N 8.69 0.80 -3.60 3.97 8.25 -1.26 -4.98 115.22 127.10 2qb9 n HIS 37 Ca 0.16 -0.40 0.01 0.00 -0.26 0.00 0.00 57.72 57.23 2qb9 n HIS 37 Cb 0.48 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 2qb9 n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qb9 s ARG 38 N -1.20 0.08 -0.30 -0.41 3.52 -1.21 -4.02 118.95 115.41 2qb9 s ARG 38 Ca 0.43 -0.04 -0.17 0.00 -0.13 0.00 0.00 55.73 55.82 2qb9 s ARG 38 Cb 0.23 0.03 0.19 0.00 -1.56 0.00 0.00 34.95 33.84 2qb9 s ARG 38 CO 0.30 -0.04 1.17 -1.17 -0.81 0.00 0.00 175.30 174.76 2qb9 s LEU 39 N -2.56 -0.23 -0.04 -0.88 1.98 -1.26 -4.32 118.68 111.38 2qb9 s LEU 39 Ca 0.13 0.34 -0.02 0.00 -2.89 0.00 0.00 54.13 51.69 2qb9 s LEU 39 Cb 0.03 1.30 0.03 0.00 0.66 0.00 0.00 46.19 48.21 2qb9 s LEU 39 CO -0.05 -0.05 0.06 -1.61 -1.89 0.00 0.00 176.35 172.81 2qb9 s GLU 40 N 1.61 -0.03 -1.19 1.98 2.02 -1.26 -4.94 118.70 116.89 2qb9 s GLU 40 Ca -0.05 0.36 -0.10 0.00 0.02 0.00 0.00 54.97 55.20 2qb9 s GLU 40 Cb -0.03 -0.54 0.22 0.00 0.10 0.00 0.00 34.13 33.88 2qb9 s GLU 40 CO -0.14 -0.33 1.45 -3.47 0.02 0.00 0.00 175.26 172.80 2qb9 n ASP 41 N 5.29 5.43 0.17 -0.19 4.64 -1.26 -0.61 116.55 130.02 2qb9 n ASP 41 Ca -0.03 -3.08 0.06 0.00 -1.38 0.00 0.00 54.79 50.36 2qb9 n ASP 41 Cb 0.50 -1.47 0.34 0.00 -1.04 0.00 0.00 41.12 39.45 2qb9 n ASP 41 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 2qb9 h TRP 42 N 6.51 0.00 -2.01 -0.67 4.06 -1.87 -3.47 115.95 118.50 2qb9 h TRP 42 Ca 0.28 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.34 2qb9 h TRP 42 Cb 0.79 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.92 2qb9 h TRP 42 CO 1.03 0.00 -0.13 0.41 -3.56 0.00 0.00 178.44 176.19 2qb9 n GLY 43 N -1.27 -1.03 3.68 1.49 0.00 -1.10 -4.69 105.19 102.27 2qb9 n GLY 43 Ca -0.01 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 2qb9 n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qb9 n ARG 44 N -2.30 2.02 -3.63 1.61 0.63 -1.26 -2.15 116.66 111.58 2qb9 n ARG 44 Ca 0.00 0.71 -0.10 0.00 -0.92 0.00 0.00 57.85 57.54 2qb9 n ARG 44 Cb 0.17 -2.30 -0.04 0.00 0.45 0.00 0.00 32.46 30.73 2qb9 n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qb9 s ARG 45 N -1.26 1.09 1.28 -0.14 3.00 -1.25 -4.91 118.95 116.76 2qb9 s ARG 45 Ca 0.61 -0.71 -0.17 0.00 -1.00 0.00 0.00 55.73 54.46 2qb9 s ARG 45 Cb -0.61 0.47 0.32 0.00 0.00 0.00 0.00 34.95 35.13 2qb9 s ARG 45 CO 0.57 -0.43 0.99 -1.14 0.00 0.00 0.00 175.30 175.29 2qb9 s GLN 46 N -3.81 -1.81 -0.03 5.12 2.00 -1.26 -2.19 119.66 117.67 2qb9 s GLN 46 Ca 0.03 0.50 0.01 0.00 -2.00 0.00 0.00 55.36 53.91 2qb9 s GLN 46 Cb 0.02 -1.48 0.02 0.00 0.80 0.00 0.00 33.01 32.37 2qb9 s GLN 46 CO -0.12 -4.23 -0.03 -0.51 -0.50 0.00 0.00 175.29 169.91 2qb9 s LEU 47 N -7.49 1.35 0.11 3.68 1.43 -1.10 -4.58 118.68 112.08 2qb9 s LEU 47 Ca 0.69 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 2qb9 s LEU 47 Cb -0.20 -0.34 -0.09 0.00 0.03 0.00 0.00 46.19 45.59 2qb9 s LEU 47 CO 0.62 -0.06 1.62 0.00 0.23 0.00 0.00 176.35 178.76 2qb9 h ALA 48 N 7.07 -0.56 -3.75 4.21 0.00 -1.96 -3.43 119.26 120.84 2qb9 h ALA 48 Ca -0.39 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 2qb9 h ALA 48 Cb 1.15 0.50 -0.22 0.00 0.00 0.00 0.00 17.79 19.21 2qb9 h ALA 48 CO 0.48 -0.87 -0.83 1.52 0.00 0.00 0.00 179.25 179.55 2qb9 s TYR 49 N -6.02 1.87 -0.80 0.00 1.13 -1.26 -5.04 117.35 107.24 2qb9 s TYR 49 Ca -0.16 -0.41 -0.12 0.00 -1.41 0.00 0.00 57.07 54.97 2qb9 s TYR 49 Cb 0.07 -1.03 -0.09 0.00 -1.10 0.00 0.00 41.96 39.81 2qb9 s TYR 49 CO 0.64 0.21 1.97 -0.35 -2.51 0.00 0.00 175.55 175.52 2qb9 n PRO 50 N 1.14 1.72 -1.52 -3.49 -0.04 -1.26 -4.88 135.00 126.66 2qb9 n PRO 50 Ca -0.19 -1.55 -0.41 0.00 -0.04 0.00 0.00 63.50 61.32 2qb9 n PRO 50 Cb 0.53 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 2qb9 n PRO 50 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2qb9 n ILE 51 N 4.98 0.01 -3.48 0.52 3.06 -1.26 -0.61 119.36 122.58 2qb9 n ILE 51 Ca 0.44 -0.47 -0.18 0.00 -2.50 0.00 0.00 62.75 60.04 2qb9 n ILE 51 Cb 0.23 -1.97 0.07 0.00 0.54 0.00 0.00 39.64 38.52 2qb9 n ILE 51 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2qb9 n ASN 52 N 13.13 -2.21 -0.91 9.51 5.15 -1.26 -4.73 115.26 133.94 2qb9 n ASN 52 Ca 0.45 -0.68 0.11 0.00 -0.60 0.00 0.00 54.58 53.86 2qb9 n ASN 52 Cb 0.35 -4.86 -0.03 0.00 -0.53 0.00 0.00 39.78 34.71 2qb9 n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qb9 n LYS 53 N -4.10 -1.58 -1.66 1.20 4.76 0.22 -5.05 118.16 111.96 2qb9 n LYS 53 Ca -0.27 1.04 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2qb9 n LYS 53 Cb 0.67 -1.93 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2qb9 n LYS 53 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qb9 n LEU 54 N 0.00 -2.42 -1.08 -0.35 7.99 -1.26 -4.82 117.00 115.06 2qb9 n LEU 54 Ca 0.01 3.18 -0.02 0.00 -0.01 0.00 0.00 56.01 59.17 2qb9 n LEU 54 Cb 0.36 -3.14 0.21 0.00 -0.11 0.00 0.00 43.42 40.73 2qb9 n LEU 54 CO 0.01 0.43 0.69 1.41 -1.51 0.00 0.00 177.39 178.42 2qb9 n HIS 55 N -0.85 1.03 -3.75 -1.77 8.25 -1.26 -4.35 115.22 112.52 2qb9 n HIS 55 Ca 0.00 -1.45 -0.13 0.00 -0.26 0.00 0.00 57.72 55.88 2qb9 n HIS 55 Cb 0.00 -0.45 -0.13 0.00 1.12 0.00 0.00 29.99 30.53 2qb9 n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qb9 s LYS 56 N -3.16 0.21 -0.24 -0.41 1.02 -1.26 -2.71 119.74 113.20 2qb9 s LYS 56 Ca 0.44 0.44 -0.04 0.00 0.02 0.00 0.00 55.97 56.82 2qb9 s LYS 56 Cb 0.39 -0.04 0.08 0.00 -0.52 0.00 0.00 37.83 37.74 2qb9 s LYS 56 CO 0.02 -0.12 0.11 0.00 -0.92 0.00 0.00 175.35 174.44 2qb9 s ALA 57 N 0.86 0.58 -0.59 5.17 0.00 -0.93 -4.11 121.76 122.75 2qb9 s ALA 57 Ca -0.06 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 2qb9 s ALA 57 Cb -0.07 -1.25 -0.10 0.00 0.00 0.00 0.00 23.12 21.70 2qb9 s ALA 57 CO -0.05 -1.44 2.43 1.58 0.00 0.00 0.00 175.76 178.27 2qb9 n HIS 58 N 5.24 1.32 -1.77 0.00 -0.00 -0.57 -3.86 115.22 115.58 2qb9 n HIS 58 Ca -0.06 0.09 -0.30 0.00 0.46 0.00 0.00 57.72 57.91 2qb9 n HIS 58 Cb 0.45 -2.60 0.07 0.00 -0.12 0.00 0.00 29.99 27.79 2qb9 n HIS 58 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2qb9 s TYR 59 N 12.65 3.11 0.17 1.57 1.51 -0.91 -0.77 117.35 134.68 2qb9 s TYR 59 Ca 0.99 1.05 -0.15 0.00 -1.01 0.00 0.00 57.07 57.94 2qb9 s TYR 59 Cb -0.21 -3.13 0.02 0.00 -0.11 0.00 0.00 41.96 38.53 2qb9 s TYR 59 CO 0.23 -1.46 0.44 0.08 -1.11 0.00 0.00 175.55 173.74 2qb9 s VAL 60 N -3.31 0.04 0.03 0.71 1.01 -1.16 -2.72 120.40 115.00 2qb9 s VAL 60 Ca 0.59 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2qb9 s VAL 60 Cb -0.12 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2qb9 s VAL 60 CO 0.52 -0.20 0.00 -0.11 0.00 0.00 0.00 175.10 175.31 2qb9 n LEU 61 N -0.29 0.00 0.00 3.92 -0.00 0.22 -3.54 117.00 117.32 2qb9 n LEU 61 Ca -0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 2qb9 n LEU 61 Cb 0.63 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 2qb9 n LEU 61 CO 0.19 -0.03 0.00 0.80 -0.00 0.00 0.00 177.39 178.35 2qb9 n MET 62 N -0.07 0.00 -1.45 1.96 1.56 -0.90 -4.51 117.12 113.71 2qb9 n MET 62 Ca -0.01 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.27 2qb9 n MET 62 Cb 0.04 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.34 2qb9 n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qb9 n ASN 63 N -1.88 -5.60 -4.62 6.12 4.13 -1.13 -3.34 115.26 108.94 2qb9 n ASN 63 Ca 0.00 0.38 -0.40 0.00 1.68 0.00 0.00 54.58 56.24 2qb9 n ASN 63 Cb 0.00 -4.45 0.03 0.00 -1.54 0.00 0.00 39.78 33.82 2qb9 n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2qb9 n VAL 64 N -2.30 2.90 -2.80 2.41 0.31 -0.99 -4.08 118.33 113.78 2qb9 n VAL 64 Ca -0.15 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.36 2qb9 n VAL 64 Cb 0.63 -1.18 -0.02 0.00 -0.91 0.00 0.00 33.84 32.36 2qb9 n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qb9 n GLU 65 N -0.30 3.89 -3.93 5.55 2.13 -0.05 -0.46 120.64 127.48 2qb9 n GLU 65 Ca 0.11 -4.76 -0.22 0.00 0.66 0.00 0.00 57.16 52.95 2qb9 n GLU 65 Cb 0.43 -2.31 -0.04 0.00 0.27 0.00 0.00 31.44 29.78 2qb9 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qb9 s ALA 66 N -3.75 3.71 0.54 4.31 0.00 -1.09 -3.95 121.76 121.53 2qb9 s ALA 66 Ca 0.46 -1.66 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 2qb9 s ALA 66 Cb 0.26 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 2qb9 s ALA 66 CO -0.15 0.05 1.23 -1.25 0.00 0.00 0.00 175.76 175.65 2qb9 s PRO 67 N -3.93 3.28 0.24 0.00 0.04 -1.26 -3.88 135.00 129.48 2qb9 s PRO 67 Ca 0.39 1.91 -0.08 0.00 0.04 0.00 0.00 61.00 63.25 2qb9 s PRO 67 Cb -0.05 -2.17 0.40 0.00 0.04 0.00 0.00 34.50 32.72 2qb9 s PRO 67 CO 0.25 -0.98 1.63 -0.56 0.04 0.00 0.00 177.00 177.38 2qb9 h GLN 68 N 1.42 0.07 -0.83 4.56 3.07 -1.99 -2.71 115.11 118.70 2qb9 h GLN 68 Ca -0.50 -0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.31 2qb9 h GLN 68 Cb 1.28 -0.01 -0.11 0.00 0.08 0.00 0.00 27.48 28.72 2qb9 h GLN 68 CO 0.57 0.04 -0.58 1.49 0.09 0.00 0.00 178.83 180.45 2qb9 h GLU 69 N 0.07 -0.11 -0.41 0.06 4.22 -1.99 0.27 114.58 116.69 2qb9 h GLU 69 Ca 0.40 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.83 2qb9 h GLU 69 Cb 0.68 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2qb9 h GLU 69 CO -0.69 -0.07 0.20 -0.39 -2.18 0.00 0.00 179.01 175.88 2qb9 h VAL 70 N -0.12 1.17 0.00 0.32 -1.51 -1.87 -2.09 116.25 112.16 2qb9 h VAL 70 Ca 0.13 -0.48 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 2qb9 h VAL 70 Cb 0.46 0.73 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2qb9 h VAL 70 CO -0.84 0.18 -0.08 0.16 -1.23 0.00 0.00 177.57 175.76 2qb9 h ILE 71 N 0.52 0.71 0.27 7.19 3.07 -1.19 -2.25 117.51 125.82 2qb9 h ILE 71 Ca 0.14 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 66.20 2qb9 h ILE 71 Cb 0.11 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 2qb9 h ILE 71 CO -0.02 0.08 -0.13 -0.78 -1.05 0.00 0.00 178.15 176.26 2qb9 h ASP 72 N 0.00 -0.30 -0.99 2.16 3.58 0.18 0.33 116.42 121.37 2qb9 h ASP 72 Ca -0.00 -0.20 0.28 0.00 0.42 0.00 0.00 57.03 57.52 2qb9 h ASP 72 Cb 0.19 0.08 -0.14 0.00 1.72 0.00 0.00 39.33 41.19 2qb9 h ASP 72 CO 0.01 0.07 0.55 -0.33 -2.88 0.00 0.00 179.24 176.66 2qb9 h GLU 73 N -0.71 0.43 -0.08 0.28 4.39 -0.95 0.16 114.58 118.09 2qb9 h GLU 73 Ca -0.04 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2qb9 h GLU 73 Cb 0.49 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2qb9 h GLU 73 CO 0.06 0.28 -0.07 1.25 -1.16 0.00 0.00 179.01 179.37 2qb9 h LEU 74 N 0.44 0.21 -1.87 1.33 5.85 -1.07 -2.69 115.31 117.50 2qb9 h LEU 74 Ca 0.67 -0.47 0.38 0.00 0.84 0.00 0.00 57.88 59.31 2qb9 h LEU 74 Cb 1.40 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 2qb9 h LEU 74 CO -0.55 0.63 0.94 -0.33 -0.34 0.00 0.00 178.44 178.80 2qb9 h GLU 75 N -0.21 0.05 0.13 1.25 5.08 0.26 0.67 114.58 121.81 2qb9 h GLU 75 Ca 0.01 -0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 2qb9 h GLU 75 Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2qb9 h GLU 75 CO 0.02 0.04 -1.85 1.79 -1.00 0.00 0.00 179.01 178.01 2qb9 h THR 76 N 0.05 0.79 -0.80 1.13 1.35 -1.42 -3.36 112.91 110.66 2qb9 h THR 76 Ca 0.66 -2.48 0.23 0.00 -0.55 0.00 0.00 66.41 64.27 2qb9 h THR 76 Cb 2.48 2.60 -0.03 0.00 -1.73 0.00 0.00 68.15 71.47 2qb9 h THR 76 CO -0.08 0.84 0.57 0.71 -0.25 0.00 0.00 175.52 177.32 2qb9 h THR 77 N 0.07 0.61 -0.15 6.82 1.35 -0.52 0.50 112.91 121.59 2qb9 h THR 77 Ca -0.37 -0.01 -0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2qb9 h THR 77 Cb 2.05 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2qb9 h THR 77 CO 0.12 0.01 -0.46 -0.26 -0.25 0.00 0.00 175.52 174.67 2qb9 h PHE 78 N 0.03 0.45 0.00 4.73 0.05 -1.63 -2.70 116.94 117.87 2qb9 h PHE 78 Ca 0.38 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 62.03 2qb9 h PHE 78 Cb 1.49 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 39.35 2qb9 h PHE 78 CO -0.00 0.77 0.00 0.00 -0.18 0.00 0.00 178.31 178.90 2qb9 h ARG 79 N 0.30 0.00 -0.86 1.51 2.47 -0.17 -3.06 114.38 114.57 2qb9 h ARG 79 Ca 0.02 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.17 2qb9 h ARG 79 Cb 0.93 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 28.84 2qb9 h ARG 79 CO 0.08 0.00 -0.57 1.19 0.56 0.00 0.00 179.97 181.23 2qb9 n PHE 80 N -3.05 2.87 -3.33 3.04 3.72 -1.03 -4.82 117.46 114.86 2qb9 n PHE 80 Ca 0.01 -2.40 -0.25 0.00 -0.05 0.00 0.00 57.45 54.76 2qb9 n PHE 80 Cb 0.31 -0.48 -0.09 0.00 -0.94 0.00 0.00 39.48 38.28 2qb9 n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2qb9 s ASN 81 N -3.33 1.12 0.57 4.37 3.84 -1.16 -4.99 114.94 115.36 2qb9 s ASN 81 Ca 0.53 -2.90 0.43 0.00 0.21 0.00 0.00 52.86 51.12 2qb9 s ASN 81 Cb 0.42 -0.18 1.47 0.00 -0.55 0.00 0.00 41.25 42.42 2qb9 s ASN 81 CO 0.01 -0.16 1.47 0.47 -2.79 0.00 0.00 177.10 176.10 2qb9 n ASP 82 N 2.89 0.00 -0.16 -4.21 10.43 -1.26 0.74 116.55 124.98 2qb9 n ASP 82 Ca 0.28 0.91 -0.01 0.00 2.57 0.00 0.00 54.79 58.55 2qb9 n ASP 82 Cb 0.49 -0.42 0.23 0.00 1.84 0.00 0.00 41.12 43.25 2qb9 n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qb9 h ALA 83 N 0.84 1.35 -2.91 2.24 0.00 -1.94 -3.42 119.26 115.42 2qb9 h ALA 83 Ca 0.80 -0.13 -0.60 0.00 0.00 0.00 0.00 54.91 54.98 2qb9 h ALA 83 Cb 3.51 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 20.97 2qb9 h ALA 83 CO -0.01 0.51 -0.28 0.54 0.00 0.00 0.00 179.25 180.01 2qb9 s VAL 84 N -5.49 5.24 0.00 0.00 0.11 0.23 0.39 120.40 120.88 2qb9 s VAL 84 Ca -0.10 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2qb9 s VAL 84 Cb 0.17 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2qb9 s VAL 84 CO 0.79 0.46 0.00 -0.38 -3.33 0.00 0.00 175.10 172.63 2qb9 n ILE 85 N 2.94 0.00 -0.94 7.04 5.41 -0.66 -4.83 119.36 128.31 2qb9 n ILE 85 Ca -0.13 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.30 2qb9 n ILE 85 Cb 0.52 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.60 2qb9 n ILE 85 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2qb9 s ARG 86 N 1.89 1.38 -0.05 0.38 3.52 -1.26 -4.90 118.95 119.91 2qb9 s ARG 86 Ca 0.00 1.67 -0.11 0.00 -0.13 0.00 0.00 55.73 57.16 2qb9 s ARG 86 Cb 0.00 -1.76 0.02 0.00 -1.56 0.00 0.00 34.95 31.65 2qb9 s ARG 86 CO 0.00 -2.39 0.27 0.45 -0.81 0.00 0.00 175.30 172.82 2qb9 s SER 87 N -2.38 -0.19 0.21 -2.12 0.15 -1.26 -3.33 113.70 104.78 2qb9 s SER 87 Ca 0.70 0.23 0.01 0.00 0.70 0.00 0.00 55.95 57.60 2qb9 s SER 87 Cb -0.26 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2qb9 s SER 87 CO 0.54 -0.29 0.06 -0.32 1.20 0.00 0.00 173.24 174.42 2qb9 s MET 88 N -0.73 1.24 -0.30 5.44 1.75 -0.67 -5.05 119.30 120.99 2qb9 s MET 88 Ca -0.08 -1.64 -0.17 0.00 -1.25 0.00 0.00 55.69 52.55 2qb9 s MET 88 Cb -0.04 -0.20 0.18 0.00 2.84 0.00 0.00 34.83 37.61 2qb9 s MET 88 CO 0.02 -0.23 1.16 0.54 -0.65 0.00 0.00 175.02 175.86 2qb9 s VAL 89 N -3.76 -0.25 0.00 10.11 0.11 -1.26 -2.53 120.40 122.83 2qb9 s VAL 89 Ca 0.31 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2qb9 s VAL 89 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2qb9 s VAL 89 CO 0.09 0.00 0.00 0.23 -3.33 0.00 0.00 175.10 172.09 2qb9 n MET 90 N 4.75 2.24 0.00 1.54 2.81 -1.25 -4.94 117.12 122.27 2qb9 n MET 90 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2qb9 n MET 90 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.05 2qb9 n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qb9 n ARG 91 N -0.36 3.52 0.00 0.03 1.85 -1.26 -3.56 116.66 116.87 2qb9 n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2qb9 n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2qb9 n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qb9 n THR 92 N 0.00 0.00 -1.79 8.89 -1.04 -0.19 -3.98 114.28 116.17 2qb9 n THR 92 Ca 0.00 0.18 -0.16 0.00 -2.04 0.00 0.00 64.05 62.03 2qb9 n THR 92 Cb 0.00 -1.16 -0.05 0.00 -1.82 0.00 0.00 70.33 67.30 2qb9 n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qb9 n LYS 93 N 0.00 -1.19 -0.62 -2.82 5.02 -1.26 -4.44 118.16 112.84 2qb9 n LYS 93 Ca 0.00 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 2qb9 n LYS 93 Cb 0.00 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 29.78 2qb9 n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qb9 n HIS 94 N -3.10 -0.16 -1.64 2.13 8.25 -1.26 -4.94 115.22 114.51 2qb9 n HIS 94 Ca -0.17 0.10 -0.48 0.00 -0.26 0.00 0.00 57.72 56.90 2qb9 n HIS 94 Cb 0.58 -2.05 -0.05 0.00 1.12 0.00 0.00 29.99 29.58 2qb9 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qb9 n ALA 95 N 0.06 0.36 -2.79 -1.41 0.00 -1.26 -4.99 120.51 110.48 2qb9 n ALA 95 Ca 0.00 0.48 -0.26 0.00 0.00 0.00 0.00 53.44 53.65 2qb9 n ALA 95 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 2qb9 n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qb9 s VAL 96 N 0.69 5.21 -0.46 0.00 1.01 -1.26 -5.06 120.40 120.53 2qb9 s VAL 96 Ca 0.81 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.38 2qb9 s VAL 96 Cb -0.79 -3.76 0.31 0.00 0.00 0.00 0.00 36.38 32.13 2qb9 s VAL 96 CO 0.42 -0.23 1.03 0.41 0.00 0.00 0.00 175.10 176.74 2qb9 n THR 97 N -0.85 -0.03 -3.82 3.92 -1.04 -1.26 -4.30 114.28 106.91 2qb9 n THR 97 Ca -0.05 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.16 2qb9 n THR 97 Cb 0.54 1.29 0.00 0.00 -1.82 0.00 0.00 70.33 70.34 2qb9 n THR 97 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2qb9 n GLU 98 N 0.62 -1.27 0.00 -2.82 0.00 -1.26 -5.04 120.64 110.88 2qb9 n GLU 98 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 2qb9 n GLU 98 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.12 2qb9 n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qb9 n ALA 99 N 0.00 0.00 -0.79 -1.84 0.00 -1.26 -5.10 120.51 111.52 2qb9 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qb9 n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qb9 n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93