#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqc h SER -1 N 0.00 0.48 -0.43 1.61 0.02 -2.05 0.89 113.55 114.07 2aqc h SER -1 Ca 0.00 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 2aqc h SER -1 Cb 0.00 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2aqc h SER -1 CO 0.00 0.25 0.29 0.45 -1.14 0.00 0.00 176.83 176.68 2aqc h HIS 0 N 0.52 0.29 -3.10 3.45 3.86 -2.09 -3.42 115.15 114.67 2aqc h HIS 0 Ca 0.39 0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 59.09 2aqc h HIS 0 Cb 0.79 -0.10 0.06 0.00 1.06 0.00 0.00 27.41 29.22 2aqc h HIS 0 CO -0.00 0.16 0.86 1.41 0.86 0.00 0.00 177.93 181.21 2aqc s MET 1 N -5.29 4.20 -0.01 2.45 -2.45 0.30 -5.01 119.30 113.50 2aqc s MET 1 Ca -0.07 2.42 0.04 0.00 -1.25 0.00 0.00 55.69 56.83 2aqc s MET 1 Cb 0.19 -3.10 -0.01 0.00 1.25 0.00 0.00 34.83 33.16 2aqc s MET 1 CO 0.73 -0.57 -0.12 0.08 1.05 0.00 0.00 175.02 176.19 2aqc s VAL 2 N 0.51 0.94 0.63 10.11 1.01 -1.26 -4.99 120.40 127.34 2aqc s VAL 2 Ca 0.66 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 2aqc s VAL 2 Cb -0.45 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2aqc s VAL 2 CO 0.39 0.26 1.04 -1.83 0.00 0.00 0.00 175.10 174.96 2aqc s GLU 3 N -0.29 3.34 0.25 2.72 -1.05 -1.26 -5.08 118.70 117.34 2aqc s GLU 3 Ca 0.05 0.96 0.07 0.00 -0.15 0.00 0.00 54.97 55.89 2aqc s GLU 3 Cb -0.05 -2.04 -0.05 0.00 -0.44 0.00 0.00 34.13 31.55 2aqc s GLU 3 CO -0.00 -0.78 -0.09 -1.64 0.95 0.00 0.00 175.26 173.69 2aqc s MET 4 N -4.73 1.49 0.58 -4.83 -1.94 -1.26 -5.02 119.30 103.58 2aqc s MET 4 Ca 0.59 -1.72 0.31 0.00 -1.71 0.00 0.00 55.69 53.15 2aqc s MET 4 Cb -0.13 -1.18 1.79 0.00 2.01 0.00 0.00 34.83 37.32 2aqc s MET 4 CO 0.47 0.10 2.22 0.07 -0.01 0.00 0.00 175.02 177.87 2aqc h ARG 5 N 2.37 0.00 0.00 2.03 0.11 -2.00 -3.43 114.38 113.46 2aqc h ARG 5 Ca -0.39 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.65 2aqc h ARG 5 Cb 1.23 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.33 2aqc h ARG 5 CO 0.65 0.03 0.03 0.00 0.10 0.00 0.00 179.97 180.78 2aqc n MET 6 N -3.69 -0.46 -4.46 0.08 0.00 -1.26 -5.08 117.12 102.25 2aqc n MET 6 Ca -0.03 -0.17 -0.24 0.00 0.00 0.00 0.00 57.70 57.26 2aqc n MET 6 Cb 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 33.22 33.14 2aqc n MET 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2aqc s LYS 7 N -3.24 1.89 -0.02 3.17 -2.85 -0.44 -4.69 119.74 113.56 2aqc s LYS 7 Ca 0.06 -2.14 -0.09 0.00 -1.00 0.00 0.00 55.97 52.80 2aqc s LYS 7 Cb -0.00 -0.38 0.01 0.00 -2.06 0.00 0.00 37.83 35.40 2aqc s LYS 7 CO 0.05 -0.53 0.20 0.21 0.10 0.00 0.00 175.35 175.38 2aqc s LYS 8 N -3.65 0.46 -0.22 1.78 2.20 0.84 -1.47 119.74 119.68 2aqc s LYS 8 Ca 0.27 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.44 2aqc s LYS 8 Cb 0.02 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.53 2aqc s LYS 8 CO 0.17 -0.11 1.46 0.00 -0.36 0.00 0.00 175.35 176.52 2aqc n PRO 10 N 7.33 0.16 -0.08 0.00 -0.04 -1.26 0.24 135.00 141.35 2aqc n PRO 10 Ca 0.17 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 2aqc n PRO 10 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 2aqc n PRO 10 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aqc n LYS 11 N -1.33 0.66 -0.05 0.54 4.01 -1.26 -4.81 118.16 115.91 2aqc n LYS 11 Ca 0.06 0.31 -0.10 0.00 -0.51 0.00 0.00 58.31 58.07 2aqc n LYS 11 Cb 0.13 -1.63 -0.03 0.00 -0.51 0.00 0.00 35.03 32.99 2aqc n LYS 11 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2aqc n GLY 13 N 2.19 1.84 3.73 0.00 0.00 0.14 -5.01 105.19 108.09 2aqc n GLY 13 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2aqc n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqc s LEU 14 N 0.00 4.40 0.21 0.99 2.96 -1.26 -4.69 118.68 121.29 2aqc s LEU 14 Ca 0.00 1.37 -0.20 0.00 -0.22 0.00 0.00 54.13 55.08 2aqc s LEU 14 Cb 0.00 -3.20 -0.08 0.00 0.50 0.00 0.00 46.19 43.41 2aqc s LEU 14 CO 0.00 -0.04 0.72 -0.31 -1.32 0.00 0.00 176.35 175.39 2aqc s TYR 15 N 0.30 3.67 0.02 5.38 1.51 -1.26 -1.26 117.35 125.70 2aqc s TYR 15 Ca 0.39 1.39 -0.27 0.00 -1.01 0.00 0.00 57.07 57.57 2aqc s TYR 15 Cb -0.20 -2.62 0.09 0.00 -0.11 0.00 0.00 41.96 39.13 2aqc s TYR 15 CO 0.22 0.36 1.24 -0.08 -1.11 0.00 0.00 175.55 176.18 2aqc s THR 16 N -1.48 0.00 0.00 -0.71 -1.32 -0.54 -4.99 115.64 106.59 2aqc s THR 16 Ca 0.42 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 2aqc s THR 16 Cb -0.17 -2.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 2aqc s THR 16 CO 0.21 0.00 0.50 0.18 -2.21 0.00 0.00 174.62 173.30 2aqc n LEU 17 N -0.88 0.74 -0.03 9.08 4.77 -1.26 -1.33 117.00 128.09 2aqc n LEU 17 Ca 0.03 -0.74 0.16 0.00 -0.03 0.00 0.00 56.01 55.43 2aqc n LEU 17 Cb 0.59 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.56 2aqc n LEU 17 CO 0.17 0.18 1.08 0.29 -1.33 0.00 0.00 177.39 177.77 2aqc n LYS 18 N -0.12 0.92 -1.00 3.23 5.02 -1.26 -4.86 118.16 120.08 2aqc n LYS 18 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2aqc n LYS 18 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2aqc n LYS 18 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2aqc n GLU 19 N -1.00 -1.61 -3.84 1.97 1.02 -1.26 -4.93 120.64 110.99 2aqc n GLU 19 Ca 0.22 0.40 -0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2aqc n GLU 19 Cb 0.15 -4.62 -0.11 0.00 -0.02 0.00 0.00 31.44 26.84 2aqc n GLU 19 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2aqc s ILE 20 N -1.19 0.04 -0.42 -3.67 -1.09 -1.26 -1.56 121.20 112.04 2aqc s ILE 20 Ca 0.00 -0.30 -0.23 0.00 -2.23 0.00 0.00 60.65 57.89 2aqc s ILE 20 Cb 0.00 -0.32 0.02 0.00 -1.58 0.00 0.00 42.46 40.58 2aqc s ILE 20 CO 0.00 -0.16 0.78 0.00 -1.23 0.00 0.00 174.94 174.32 2aqc n PRO 22 N 6.60 0.18 -0.04 0.00 -0.04 -1.26 0.49 135.00 140.92 2aqc n PRO 22 Ca 0.02 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2aqc n PRO 22 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2aqc n PRO 22 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2aqc h LYS 23 N 0.00 0.00 0.02 0.54 3.64 -1.96 -3.43 116.57 115.37 2aqc h LYS 23 Ca 0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 2aqc h LYS 23 Cb 0.15 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2aqc h LYS 23 CO 0.00 0.00 -2.34 0.00 -2.27 0.00 0.00 179.45 174.84 2aqc n GLY 25 N 2.02 1.94 3.54 0.00 0.00 0.18 -5.06 105.19 107.81 2aqc n GLY 25 Ca -0.38 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2aqc n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aqc s GLU 26 N -0.67 2.80 0.39 1.61 2.56 -1.23 -4.77 118.70 119.39 2aqc s GLU 26 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 54.97 54.14 2aqc s GLU 26 Cb 0.00 -2.57 -0.12 0.00 2.00 0.00 0.00 34.13 33.44 2aqc s GLU 26 CO 0.00 0.60 0.85 1.63 -0.56 0.00 0.00 175.26 177.78 2aqc n LYS 27 N 2.42 1.06 -3.46 4.30 5.02 -1.26 -0.54 118.16 125.69 2aqc n LYS 27 Ca -0.18 0.38 -0.26 0.00 -2.02 0.00 0.00 58.31 56.23 2aqc n LYS 27 Cb 0.53 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 2aqc n LYS 27 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2aqc s THR 28 N -1.28 5.11 0.05 -0.18 -4.23 -0.60 -4.61 115.64 109.89 2aqc s THR 28 Ca 0.63 -0.30 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 2aqc s THR 28 Cb -0.61 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.42 2aqc s THR 28 CO 0.58 -0.38 -0.12 0.68 -0.54 0.00 0.00 174.62 174.83 2aqc s VAL 29 N -2.12 0.95 -0.20 2.29 -7.23 0.10 -4.82 120.40 109.38 2aqc s VAL 29 Ca 0.41 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 59.24 2aqc s VAL 29 Cb -0.10 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 2aqc s VAL 29 CO 0.32 -0.13 1.90 -0.63 -0.31 0.00 0.00 175.10 176.25 2aqc s ILE 30 N -1.02 3.33 -0.19 -0.62 1.09 -1.26 -0.11 121.20 122.42 2aqc s ILE 30 Ca -0.02 0.36 -0.29 0.00 -1.10 0.00 0.00 60.65 59.60 2aqc s ILE 30 Cb -0.08 -3.36 -0.03 0.00 -1.06 0.00 0.00 42.46 37.92 2aqc s ILE 30 CO 0.01 -0.18 1.59 -2.16 -0.10 0.00 0.00 174.94 174.10 2aqc s PRO 31 N 5.34 3.91 0.28 2.79 0.04 -1.26 -4.91 135.00 141.19 2aqc s PRO 31 Ca 0.85 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.66 2aqc s PRO 31 Cb -0.30 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 2aqc s PRO 31 CO 0.34 -1.16 0.44 0.15 0.04 0.00 0.00 177.00 176.81 2aqc s LYS 32 N 4.45 3.47 0.92 4.56 1.02 -1.26 -4.74 119.74 128.16 2aqc s LYS 32 Ca 0.70 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 56.08 2aqc s LYS 32 Cb -0.26 -2.79 0.14 0.00 -0.52 0.00 0.00 37.83 34.40 2aqc s LYS 32 CO 0.28 0.31 1.09 -1.25 -0.92 0.00 0.00 175.35 174.86 2aqc s PRO 33 N -3.98 1.08 0.12 -1.68 0.04 -1.26 -5.06 135.00 124.27 2aqc s PRO 33 Ca 0.37 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 2aqc s PRO 33 Cb -0.10 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.68 2aqc s PRO 33 CO 0.32 -2.35 0.11 -0.35 0.04 0.00 0.00 177.00 174.77 2aqc n PRO 34 N -3.95 -1.24 -3.53 0.56 -0.04 -1.26 -5.11 135.00 120.43 2aqc n PRO 34 Ca 0.07 -0.17 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 2aqc n PRO 34 Cb 0.56 -0.16 -0.05 0.00 -0.04 0.00 0.00 33.50 33.80 2aqc n PRO 34 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2aqc s LYS 35 N -3.25 0.91 -0.69 0.54 -2.85 -1.26 -5.04 119.74 108.11 2aqc s LYS 35 Ca 0.07 0.14 -0.27 0.00 -1.00 0.00 0.00 55.97 54.91 2aqc s LYS 35 Cb -0.01 0.43 0.03 0.00 -2.06 0.00 0.00 37.83 36.22 2aqc s LYS 35 CO 0.05 -0.30 1.23 -0.06 0.10 0.00 0.00 175.35 176.37 2aqc s PHE 36 N -1.45 2.41 -0.11 1.78 0.40 -1.26 -4.83 117.98 114.92 2aqc s PHE 36 Ca -0.06 0.06 0.15 0.00 -0.60 0.00 0.00 56.93 56.47 2aqc s PHE 36 Cb -0.00 -4.56 -0.08 0.00 0.51 0.00 0.00 43.02 38.88 2aqc s PHE 36 CO 0.05 -1.90 1.06 0.77 0.70 0.00 0.00 175.22 175.90 2aqc h SER 37 N 9.85 0.00 0.78 1.36 0.02 -1.98 -2.83 113.55 120.75 2aqc h SER 37 Ca -0.27 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 2aqc h SER 37 Cb 1.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2aqc h SER 37 CO 1.24 0.62 -0.21 0.25 -1.14 0.00 0.00 176.83 177.59 2aqc h LEU 38 N 0.00 0.00 0.03 5.07 5.85 -2.02 -3.13 115.31 121.12 2aqc h LEU 38 Ca -0.10 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.26 2aqc h LEU 38 Cb 1.56 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 2aqc h LEU 38 CO 0.06 0.21 -2.14 -0.62 -0.34 0.00 0.00 178.44 175.62 2aqc n GLU 39 N -3.46 0.68 -2.39 1.25 1.02 -1.24 -4.86 120.64 111.65 2aqc n GLU 39 Ca -0.00 0.18 -0.43 0.00 -0.02 0.00 0.00 57.16 56.89 2aqc n GLU 39 Cb 0.39 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 2aqc n GLU 39 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2aqc s ASP 40 N -6.31 6.68 0.02 1.62 -1.08 -1.07 -4.91 116.67 111.62 2aqc s ASP 40 Ca -0.18 1.31 -0.23 0.00 -0.52 0.00 0.00 52.55 52.93 2aqc s ASP 40 Cb 0.07 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.83 2aqc s ASP 40 CO 0.76 -1.06 1.37 -0.09 0.52 0.00 0.00 175.17 176.67 2aqc h ARG 41 N 9.29 0.16 -0.67 4.34 2.43 -1.89 -3.07 114.38 124.98 2aqc h ARG 41 Ca -0.27 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2aqc h ARG 41 Cb 1.10 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2aqc h ARG 41 CO 1.02 0.53 0.01 0.91 -1.51 0.00 0.00 179.97 180.92 2aqc n TRP 42 N -4.77 1.72 0.26 2.20 7.02 -1.26 -4.42 117.44 118.19 2aqc n TRP 42 Ca -0.07 -0.60 0.09 0.00 -1.02 0.00 0.00 57.50 55.89 2aqc n TRP 42 Cb 0.26 -0.44 0.67 0.00 -2.42 0.00 0.00 31.31 29.37 2aqc n TRP 42 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 2aqc h GLY 43 N 4.18 0.00 1.54 6.99 0.00 -1.85 -1.52 103.07 112.40 2aqc h GLY 43 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2aqc h GLY 43 CO 0.41 0.00 -1.07 0.50 0.00 0.00 0.00 176.54 176.38 2aqc h LYS 44 N 0.00 0.00 -0.05 4.80 1.79 -1.82 -3.31 116.57 117.97 2aqc h LYS 44 Ca -0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2aqc h LYS 44 Cb 0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2aqc h LYS 44 CO 0.00 0.54 -0.47 -0.92 -1.08 0.00 0.00 179.45 177.52 2aqc h TYR 45 N 0.00 0.16 -0.58 -1.35 5.03 -1.60 -2.94 116.97 115.69 2aqc h TYR 45 Ca -0.10 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 2aqc h TYR 45 Cb 1.62 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.84 2aqc h TYR 45 CO 0.00 0.58 0.35 -0.09 -1.32 0.00 0.00 178.16 177.68 2aqc h ARG 46 N 0.11 0.78 -0.03 1.82 9.65 -1.52 -1.20 114.38 123.99 2aqc h ARG 46 Ca 0.00 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2aqc h ARG 46 Cb 0.87 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 2aqc h ARG 46 CO 0.07 0.55 -0.15 -0.09 2.80 0.00 0.00 179.97 183.14 2aqc h ARG 47 N 0.79 0.04 0.08 0.20 2.43 -1.67 -2.45 114.38 113.80 2aqc h ARG 47 Ca 0.21 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 59.10 2aqc h ARG 47 Cb -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2aqc h ARG 47 CO -0.04 0.19 -1.32 1.98 -1.51 0.00 0.00 179.97 179.27 2aqc h MET 48 N 0.04 0.16 -0.00 0.20 4.05 -1.34 -3.28 114.93 114.75 2aqc h MET 48 Ca 0.01 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2aqc h MET 48 Cb 0.29 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2aqc h MET 48 CO 0.02 1.05 0.00 1.25 0.23 0.00 0.00 176.91 179.46 2aqc h LEU 49 N 0.04 0.00-10.71 3.39 6.46 -0.80 -3.43 115.31 110.27 2aqc h LEU 49 Ca -0.15 0.00 -0.47 0.00 -0.12 0.00 0.00 57.88 57.14 2aqc h LEU 49 Cb 1.94 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 41.95 2aqc h LEU 49 CO 0.16 0.00 0.10 -0.54 -0.62 0.00 0.00 178.44 177.54 2aqc s LYS 50 N -4.98 1.67 0.11 1.25 -0.14 -1.11 -5.11 119.74 111.43 2aqc s LYS 50 Ca -0.05 -1.13 0.10 0.00 -1.36 0.00 0.00 55.97 53.53 2aqc s LYS 50 Cb 0.17 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 2aqc s LYS 50 CO 0.64 -1.45 -0.26 1.03 -0.76 0.00 0.00 175.35 174.55 2aqc s ARG 51 N -5.14 1.42 0.52 1.68 3.00 -1.26 -5.00 118.95 114.17 2aqc s ARG 51 Ca 0.66 -1.28 0.28 0.00 0.00 0.00 0.00 55.73 55.39 2aqc s ARG 51 Cb -0.05 -1.84 1.43 0.00 0.00 0.00 0.00 34.95 34.49 2aqc s ARG 51 CO 0.44 0.44 2.05 0.00 0.00 0.00 0.00 175.30 178.24 2aqc h ALA 52 N 4.05 1.22 -3.42 2.13 0.00 -1.97 -3.41 119.26 117.86 2aqc h ALA 52 Ca -0.50 -0.11 -0.66 0.00 0.00 0.00 0.00 54.91 53.65 2aqc h ALA 52 Cb 1.17 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 2aqc h ALA 52 CO 0.40 0.15 -0.70 -1.17 0.00 0.00 0.00 179.25 177.92 2aqc s LEU 53 N -7.09 3.07 -0.09 0.00 0.20 -1.26 -5.08 118.68 108.43 2aqc s LEU 53 Ca -0.02 -0.16 -0.30 0.00 0.69 0.00 0.00 54.13 54.34 2aqc s LEU 53 Cb 0.13 -1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 2aqc s LEU 53 CO 0.58 0.22 1.29 -0.54 -0.29 0.00 0.00 176.35 177.61 2aqc s LYS 54 N 0.03 4.29 0.08 1.98 1.02 -1.26 -5.02 119.74 120.86 2aqc s LYS 54 Ca -0.01 1.75 0.02 0.00 0.02 0.00 0.00 55.97 57.74 2aqc s LYS 54 Cb -0.14 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2aqc s LYS 54 CO 0.03 -0.59 -0.06 -0.80 -0.92 0.00 0.00 175.35 173.01 2aqc s ASN 55 N 1.84 1.03 -0.23 2.83 0.01 -1.26 -5.09 114.94 114.07 2aqc s ASN 55 Ca 0.58 -0.93 -0.35 0.00 -0.71 0.00 0.00 52.86 51.45 2aqc s ASN 55 Cb -0.25 0.09 -0.12 0.00 0.41 0.00 0.00 41.25 41.38 2aqc s ASN 55 CO 0.20 -0.43 2.00 1.17 -1.51 0.00 0.00 177.10 178.53 2aqc n LYS 56 N 0.23 1.60 -4.29 -0.60 3.00 -1.26 -4.95 118.16 111.89 2aqc n LYS 56 Ca -0.14 0.53 -0.22 0.00 -0.00 0.00 0.00 58.31 58.49 2aqc n LYS 56 Cb 0.60 -2.54 -0.12 0.00 0.00 0.00 0.00 35.03 32.97 2aqc n LYS 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2aqc s ASN 57 N 5.48 2.43 -0.62 3.14 4.22 -1.26 -5.09 114.94 123.24 2aqc s ASN 57 Ca 1.00 -0.77 -0.28 0.00 -2.14 0.00 0.00 52.86 50.68 2aqc s ASN 57 Cb -0.79 -0.13 0.03 0.00 1.28 0.00 0.00 41.25 41.64 2aqc s ASN 57 CO 0.52 -0.02 1.23 -0.75 -2.04 0.00 0.00 177.10 176.04 2aqc s LYS 58 N -2.36 3.42 0.15 3.55 2.36 -1.26 -5.01 119.74 120.59 2aqc s LYS 58 Ca 0.10 0.14 -0.11 0.00 -2.55 0.00 0.00 55.97 53.55 2aqc s LYS 58 Cb -0.08 -4.06 -0.06 0.00 -1.05 0.00 0.00 37.83 32.58 2aqc s LYS 58 CO 0.05 -1.82 0.48 0.00 1.55 0.00 0.00 175.35 175.61 2aqc s ALA 59 N 5.23 3.64 -2.00 3.13 0.00 -1.26 -5.32 121.76 125.18 2aqc s ALA 59 Ca 0.42 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.16 2aqc s ALA 59 Cb -0.08 -2.38 0.42 0.00 0.00 0.00 0.00 23.12 21.08 2aqc s ALA 59 CO 0.23 0.53 0.88 0.39 0.00 0.00 0.00 175.76 177.78