#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 -0.02 -3.38 1.61 4.64 -2.12 -3.43 113.55 110.84 2aqc h SER -1 Ca 0.00 -0.42 -0.55 0.00 -0.47 0.00 0.00 61.79 60.34 2aqc h SER -1 Cb 0.00 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 2aqc h SER -1 CO 0.00 0.42 0.09 -1.38 -0.87 0.00 0.00 176.83 175.08 2aqc s HIS 0 N -4.42 3.78 0.24 4.77 0.00 -1.26 -5.04 115.29 113.36 2aqc s HIS 0 Ca -0.15 1.41 -0.30 0.00 -3.00 0.00 0.00 55.06 53.02 2aqc s HIS 0 Cb 0.02 -2.69 -0.09 0.00 -4.00 0.00 0.00 32.58 25.82 2aqc s HIS 0 CO 0.66 0.41 1.13 0.00 -1.00 0.00 0.00 174.74 175.95 2aqc s MET 1 N -0.55 4.58 0.17 -0.38 0.00 -1.26 -5.03 119.30 116.83 2aqc s MET 1 Ca 0.34 1.83 -0.12 0.00 0.00 0.00 0.00 55.69 57.74 2aqc s MET 1 Cb -0.20 -3.21 -0.07 0.00 0.00 0.00 0.00 34.83 31.35 2aqc s MET 1 CO 0.22 0.10 0.53 0.14 0.00 0.00 0.00 175.02 176.00 2aqc s VAL 2 N -0.74 4.92 0.38 5.16 -7.23 -1.26 -5.04 120.40 116.59 2aqc s VAL 2 Ca 0.48 0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 61.03 2aqc s VAL 2 Cb -0.32 -3.68 -0.11 0.00 0.56 0.00 0.00 36.38 32.83 2aqc s VAL 2 CO 0.40 0.14 1.21 -0.62 -0.31 0.00 0.00 175.10 175.91 2aqc n GLU 3 N 0.48 1.85 -0.88 4.82 1.02 -1.26 -4.92 120.64 121.75 2aqc n GLU 3 Ca -0.04 0.65 -0.33 0.00 -0.02 0.00 0.00 57.16 57.43 2aqc n GLU 3 Cb 0.52 -2.25 0.12 0.00 -0.02 0.00 0.00 31.44 29.80 2aqc n GLU 3 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2aqc n MET 4 N 0.31 -0.17 -0.27 3.49 1.56 -1.26 -4.97 117.12 115.81 2aqc n MET 4 Ca 0.07 -0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.29 2aqc n MET 4 Cb 0.37 -1.92 0.19 0.00 2.15 0.00 0.00 33.22 34.01 2aqc n MET 4 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2aqc n ARG 5 N -1.81 -3.66 -0.85 2.12 5.12 -1.26 -4.93 116.66 111.39 2aqc n ARG 5 Ca 0.08 -1.03 -0.33 0.00 -1.93 0.00 0.00 57.85 54.63 2aqc n ARG 5 Cb 0.53 -1.25 0.11 0.00 -1.16 0.00 0.00 32.46 30.69 2aqc n ARG 5 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2aqc n MET 6 N -4.42 -0.23 -4.40 5.56 0.00 -1.26 -5.03 117.12 107.34 2aqc n MET 6 Ca 0.10 -0.02 -0.30 0.00 0.00 0.00 0.00 57.70 57.47 2aqc n MET 6 Cb 0.41 -1.85 -0.05 0.00 0.00 0.00 0.00 33.22 31.73 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 -3.54 2.22 0.02 3.17 0.00 -0.21 -4.83 119.74 116.57 2aqc s LYS 7 Ca 0.58 -2.24 0.02 0.00 0.00 0.00 0.00 55.97 54.33 2aqc s LYS 7 Cb -0.22 -1.76 -0.02 0.00 0.00 0.00 0.00 37.83 35.82 2aqc s LYS 7 CO 0.67 -0.46 -0.07 0.21 0.00 0.00 0.00 175.35 175.70 2aqc s LYS 8 N -4.04 0.50 -0.19 1.78 2.20 0.84 -1.06 119.74 119.77 2aqc s LYS 8 Ca 0.18 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.96 2aqc s LYS 8 Cb 0.00 -0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 35.94 2aqc s LYS 8 CO 0.10 0.08 1.43 0.00 -0.36 0.00 0.00 175.35 176.61 2aqc n PRO 10 N 7.13 0.22 -0.10 0.00 -0.04 -1.26 0.12 135.00 141.07 2aqc n PRO 10 Ca 0.16 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 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 -1.27 0.65 -0.04 0.54 4.01 -1.26 -4.83 118.16 115.96 2aqc n LYS 11 Ca 0.07 0.26 -0.08 0.00 -0.51 0.00 0.00 58.31 58.05 2aqc n LYS 11 Cb 0.12 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.02 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 2.29 1.89 3.76 0.00 0.00 0.12 -5.00 105.19 108.26 2aqc n GLY 13 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 4.37 0.23 0.99 2.96 -1.26 -4.69 118.68 121.27 2aqc s LEU 14 Ca 0.00 0.96 -0.16 0.00 -0.22 0.00 0.00 54.13 54.71 2aqc s LEU 14 Cb 0.00 -2.74 -0.08 0.00 0.50 0.00 0.00 46.19 43.87 2aqc s LEU 14 CO 0.00 0.11 0.66 -0.31 -1.32 0.00 0.00 176.35 175.49 2aqc s TYR 15 N -0.03 3.54 -0.07 5.38 1.51 -1.26 -1.19 117.35 125.23 2aqc s TYR 15 Ca 0.27 1.20 -0.32 0.00 -1.01 0.00 0.00 57.07 57.21 2aqc s TYR 15 Cb -0.16 -2.49 0.13 0.00 -0.11 0.00 0.00 41.96 39.32 2aqc s TYR 15 CO 0.13 0.29 1.27 -0.08 -1.11 0.00 0.00 175.55 176.05 2aqc s THR 16 N -1.66 0.00 -0.28 -0.71 -1.32 -0.23 -4.99 115.64 106.46 2aqc s THR 16 Ca 0.45 -0.15 0.10 0.00 -1.21 0.00 0.00 61.69 60.89 2aqc s THR 16 Cb -0.14 -1.68 0.24 0.00 -1.51 0.00 0.00 72.50 69.41 2aqc s THR 16 CO 0.20 0.00 1.17 0.18 -2.21 0.00 0.00 174.62 173.96 2aqc n LEU 17 N -0.36 2.65 -0.59 9.08 4.77 -1.26 -1.04 117.00 130.25 2aqc n LEU 17 Ca -0.06 -2.47 0.13 0.00 -0.03 0.00 0.00 56.01 53.59 2aqc n LEU 17 Cb 0.61 -0.26 0.40 0.00 -2.33 0.00 0.00 43.42 41.84 2aqc n LEU 17 CO 0.11 0.64 0.79 0.29 -1.33 0.00 0.00 177.39 177.89 2aqc n LYS 18 N -0.51 1.78 -1.06 3.23 4.76 -1.26 -4.91 118.16 120.19 2aqc n LYS 18 Ca 0.11 -1.18 -0.02 0.00 -2.87 0.00 0.00 58.31 54.35 2aqc n LYS 18 Cb 0.51 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 2aqc n LYS 18 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2aqc n GLU 19 N 0.42 -1.70 -3.86 1.97 1.02 -1.26 -4.93 120.64 112.31 2aqc n GLU 19 Ca 0.17 0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2aqc n GLU 19 Cb 0.42 -4.82 -0.11 0.00 -0.02 0.00 0.00 31.44 26.91 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 -1.29 0.05 -0.42 -3.67 -1.09 -1.26 -1.56 121.20 111.95 2aqc s ILE 20 Ca 0.00 -0.39 -0.22 0.00 -2.23 0.00 0.00 60.65 57.81 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 -0.22 0.70 0.00 -1.23 0.00 0.00 174.94 174.20 2aqc n PRO 22 N 6.41 0.16 -0.05 0.00 -0.04 -1.26 0.60 135.00 140.82 2aqc n PRO 22 Ca 0.00 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 2aqc n PRO 22 Cb 0.48 -1.50 -0.00 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 0.00 0.54 1.63 -1.96 -3.43 116.57 113.35 2aqc h LYS 23 Ca 0.00 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 2aqc h LYS 23 Cb 0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 2aqc h LYS 23 CO 0.00 0.00 -2.25 0.00 -3.45 0.00 0.00 179.45 173.75 2aqc n GLY 25 N 2.23 1.87 3.59 0.00 0.00 0.20 -5.06 105.19 108.02 2aqc n GLY 25 Ca -0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.47 2.99 0.39 1.61 2.56 -1.23 -4.75 118.70 119.80 2aqc s GLU 26 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 54.97 54.22 2aqc s GLU 26 Cb 0.00 -2.70 -0.12 0.00 2.00 0.00 0.00 34.13 33.31 2aqc s GLU 26 CO 0.00 0.59 0.92 1.63 -0.56 0.00 0.00 175.26 177.84 2aqc n LYS 27 N 2.45 1.18 -3.47 4.30 5.02 -1.26 -0.27 118.16 126.12 2aqc n LYS 27 Ca -0.18 0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 2aqc n LYS 27 Cb 0.53 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.27 5.00 0.14 -0.18 -4.23 -0.60 -4.58 115.64 109.93 2aqc s THR 28 Ca 0.62 0.30 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 2aqc s THR 28 Cb -0.60 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2aqc s THR 28 CO 0.57 -0.08 -0.13 0.68 -0.54 0.00 0.00 174.62 175.12 2aqc s VAL 29 N -1.82 1.39 -0.18 2.29 -7.23 0.10 -4.79 120.40 110.16 2aqc s VAL 29 Ca 0.45 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 2aqc s VAL 29 Cb -0.11 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2aqc s VAL 29 CO 0.23 -0.52 1.97 -0.63 -0.31 0.00 0.00 175.10 175.84 2aqc s ILE 30 N -2.56 3.23 0.23 -0.62 -1.09 -1.26 -0.12 121.20 119.01 2aqc s ILE 30 Ca 0.13 0.25 0.22 0.00 -2.23 0.00 0.00 60.65 59.03 2aqc s ILE 30 Cb -0.02 -3.26 0.21 0.00 -1.58 0.00 0.00 42.46 37.81 2aqc s ILE 30 CO 0.03 -0.13 1.86 1.55 -1.23 0.00 0.00 174.94 177.02 2aqc h PRO 31 N 12.85 0.00 -2.87 2.79 0.13 -1.88 -3.33 132.00 139.69 2aqc h PRO 31 Ca -0.40 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.06 2aqc h PRO 31 Cb 1.21 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.96 2aqc h PRO 31 CO 0.98 0.26 -0.22 1.17 -0.23 0.00 0.00 178.00 179.95 2aqc n LYS 32 N -3.55 2.70 -1.18 0.86 4.81 -1.26 -5.08 118.16 115.47 2aqc n LYS 32 Ca -0.01 -4.56 -0.29 0.00 -0.87 0.00 0.00 58.31 52.59 2aqc n LYS 32 Cb 0.40 -2.35 0.16 0.00 0.02 0.00 0.00 35.03 33.26 2aqc n LYS 32 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2aqc s PRO 33 N -1.94 0.73 0.04 1.64 0.04 -1.25 -4.97 135.00 129.28 2aqc s PRO 33 Ca 0.31 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 2aqc s PRO 33 Cb 0.02 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 2aqc s PRO 33 CO -0.07 -2.56 1.42 -1.25 0.04 0.00 0.00 177.00 174.58 2aqc s PRO 34 N -4.95 4.29 -0.22 0.56 0.04 -1.26 -4.92 135.00 128.54 2aqc s PRO 34 Ca 0.65 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.83 2aqc s PRO 34 Cb -0.18 -3.49 -0.22 0.00 0.04 0.00 0.00 34.50 30.65 2aqc s PRO 34 CO 0.57 -0.55 -0.04 1.63 0.04 0.00 0.00 177.00 178.65 2aqc n LYS 35 N 5.00 0.69 -3.84 4.56 5.02 -1.26 -4.86 118.16 123.46 2aqc n LYS 35 Ca 0.13 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 56.11 2aqc n LYS 35 Cb 0.43 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 2aqc n LYS 35 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2aqc s PHE 36 N -2.50 3.24 -0.23 2.13 -0.71 -1.26 -5.08 117.98 113.57 2aqc s PHE 36 Ca -0.19 -1.64 -0.04 0.00 -1.04 0.00 0.00 56.93 54.02 2aqc s PHE 36 Cb 0.07 -2.18 -0.00 0.00 -1.21 0.00 0.00 43.02 39.71 2aqc s PHE 36 CO 0.74 -0.76 -0.03 -1.12 -1.34 0.00 0.00 175.22 172.70 2aqc s SER 37 N 1.33 4.39 0.17 1.98 0.01 -1.26 -4.99 113.70 115.33 2aqc s SER 37 Ca -0.03 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.62 2aqc s SER 37 Cb -0.19 -1.74 0.06 0.00 0.21 0.00 0.00 66.02 64.35 2aqc s SER 37 CO 0.00 -0.06 1.64 -0.07 0.41 0.00 0.00 173.24 175.16 2aqc h LEU 38 N 8.11 1.01 0.00 2.44 3.38 -2.03 -3.39 115.31 124.83 2aqc h LEU 38 Ca -0.39 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2aqc h LEU 38 Cb 1.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2aqc h LEU 38 CO 0.60 1.07 -0.75 -1.84 0.09 0.00 0.00 178.44 177.61 2aqc n GLU 39 N -4.22 0.86 -2.42 1.13 0.00 -1.26 -5.03 120.64 109.69 2aqc n GLU 39 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.01 2aqc n GLU 39 Cb 0.33 -0.87 -0.00 0.00 0.00 0.00 0.00 31.44 30.90 2aqc n GLU 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2aqc n ASP 40 N -2.07 -5.15 -0.20 -1.84 2.03 -1.26 -4.89 116.55 103.17 2aqc n ASP 40 Ca 0.00 -0.05 -0.01 0.00 0.52 0.00 0.00 54.79 55.25 2aqc n ASP 40 Cb 0.37 -4.20 0.10 0.00 -0.72 0.00 0.00 41.12 36.67 2aqc n ASP 40 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2aqc h ARG 41 N -0.19 0.40 -0.68 -0.67 2.47 -1.97 0.18 114.38 113.92 2aqc h ARG 41 Ca -0.42 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2aqc h ARG 41 Cb 1.31 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2aqc h ARG 41 CO 0.49 0.26 0.01 0.91 0.56 0.00 0.00 179.97 182.20 2aqc n TRP 42 N -4.99 1.64 0.00 3.04 7.02 -1.26 -4.62 117.44 118.27 2aqc n TRP 42 Ca 0.08 -0.58 0.00 0.00 -1.02 0.00 0.00 57.50 55.98 2aqc n TRP 42 Cb 0.25 -0.43 0.00 0.00 -2.42 0.00 0.00 31.31 28.71 2aqc n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2aqc n GLY 43 N 0.47 -2.52 0.41 6.99 0.00 0.05 -2.89 105.19 107.71 2aqc n GLY 43 Ca 0.22 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.47 2aqc n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqc h LYS 44 N 0.00 0.00 -0.50 1.61 1.57 -1.84 0.11 116.57 117.52 2aqc h LYS 44 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 2aqc h LYS 44 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2aqc h LYS 44 CO 0.00 0.00 0.41 -0.92 -0.57 0.00 0.00 179.45 178.37 2aqc h TYR 45 N 0.00 0.00 -0.80 -1.35 3.20 -1.82 0.08 116.97 116.28 2aqc h TYR 45 Ca 0.30 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.37 2aqc h TYR 45 Cb 1.27 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 2aqc h TYR 45 CO 0.00 0.00 0.55 -0.09 -1.64 0.00 0.00 178.16 176.98 2aqc h ARG 46 N 0.00 0.19 -0.27 1.82 2.43 -0.64 0.28 114.38 118.20 2aqc h ARG 46 Ca 0.24 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2aqc h ARG 46 Cb 1.05 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 2aqc h ARG 46 CO -0.00 0.13 0.11 0.00 -1.51 0.00 0.00 179.97 178.69 2aqc h ARG 47 N 0.20 0.37 -0.18 0.20 2.47 -1.17 -2.35 114.38 113.91 2aqc h ARG 47 Ca 0.39 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 59.01 2aqc h ARG 47 Cb 1.25 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.45 2aqc h ARG 47 CO -0.08 0.31 -0.13 -0.12 0.56 0.00 0.00 179.97 180.51 2aqc n MET 48 N -4.43 1.90 0.02 0.04 1.56 0.81 -4.58 117.12 112.44 2aqc n MET 48 Ca 0.01 -3.01 -0.04 0.00 -0.27 0.00 0.00 57.70 54.39 2aqc n MET 48 Cb 0.13 -1.71 -0.10 0.00 2.15 0.00 0.00 33.22 33.68 2aqc n MET 48 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 2aqc h LEU 49 N 0.96 0.00 -9.38 -0.89 6.46 -0.52 -3.46 115.31 108.47 2aqc h LEU 49 Ca 0.08 0.00 -0.61 0.00 -0.12 0.00 0.00 57.88 57.23 2aqc h LEU 49 Cb 1.33 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 41.30 2aqc h LEU 49 CO 0.19 0.78 0.92 2.29 -0.62 0.00 0.00 178.44 182.00 2aqc n LYS 50 N -3.04 2.09 -4.14 1.25 2.85 -1.26 -4.96 118.16 110.95 2aqc n LYS 50 Ca -0.10 0.76 -0.11 0.00 -1.05 0.00 0.00 58.31 57.81 2aqc n LYS 50 Cb 0.92 -2.55 -0.09 0.00 -0.65 0.00 0.00 35.03 32.66 2aqc n LYS 50 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2aqc s ARG 51 N 2.37 1.29 -0.41 -1.58 1.81 -1.26 -5.13 118.95 116.04 2aqc s ARG 51 Ca 0.86 -1.51 -0.09 0.00 -1.72 0.00 0.00 55.73 53.26 2aqc s ARG 51 Cb -0.71 0.33 0.07 0.00 -0.45 0.00 0.00 34.95 34.19 2aqc s ARG 51 CO 0.45 -0.46 0.24 0.00 -0.68 0.00 0.00 175.30 174.85 2aqc s ALA 52 N -4.12 3.26 -0.21 2.13 0.00 -1.26 -5.04 121.76 116.53 2aqc s ALA 52 Ca 0.34 -2.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.16 2aqc s ALA 52 Cb 0.05 -2.60 0.10 0.00 0.00 0.00 0.00 23.12 20.67 2aqc s ALA 52 CO 0.11 -1.60 0.41 -1.17 0.00 0.00 0.00 175.76 173.51 2aqc s LEU 53 N 1.43 -0.64 -0.20 0.00 2.96 -1.26 -5.14 118.68 115.83 2aqc s LEU 53 Ca 0.03 0.83 -0.19 0.00 -0.22 0.00 0.00 54.13 54.57 2aqc s LEU 53 Cb -0.22 1.29 -0.03 0.00 0.50 0.00 0.00 46.19 47.73 2aqc s LEU 53 CO 0.02 -0.25 0.56 -0.75 -1.32 0.00 0.00 176.35 174.62 2aqc s LYS 54 N 2.60 4.20 0.33 1.98 2.47 -1.26 -5.06 119.74 124.99 2aqc s LYS 54 Ca 0.01 0.49 0.08 0.00 -1.56 0.00 0.00 55.97 54.99 2aqc s LYS 54 Cb -0.13 -3.57 -0.06 0.00 -1.46 0.00 0.00 37.83 32.61 2aqc s LYS 54 CO -0.13 -0.18 -0.05 0.54 0.16 0.00 0.00 175.35 175.69 2aqc s ASN 55 N 1.17 3.31 -0.17 1.43 4.22 -1.26 -5.14 114.94 118.51 2aqc s ASN 55 Ca 0.26 -1.24 -0.02 0.00 -2.14 0.00 0.00 52.86 49.72 2aqc s ASN 55 Cb -0.16 -0.27 -0.01 0.00 1.28 0.00 0.00 41.25 42.09 2aqc s ASN 55 CO 0.10 -0.33 -0.09 -1.59 -2.04 0.00 0.00 177.10 173.15 2aqc s LYS 56 N -3.69 3.42 0.62 3.55 -2.85 -1.26 -5.11 119.74 114.41 2aqc s LYS 56 Ca 0.32 -0.64 -0.16 0.00 -1.00 0.00 0.00 55.97 54.49 2aqc s LYS 56 Cb 0.05 -2.80 -0.02 0.00 -2.06 0.00 0.00 37.83 32.99 2aqc s LYS 56 CO 0.15 0.07 1.09 0.54 0.10 0.00 0.00 175.35 177.29 2aqc s ASN 57 N 0.76 5.49 -0.02 0.03 2.20 -1.26 -5.06 114.94 117.09 2aqc s ASN 57 Ca -0.04 1.93 0.08 0.00 -0.94 0.00 0.00 52.86 53.89 2aqc s ASN 57 Cb -0.15 -2.55 -0.02 0.00 -2.00 0.00 0.00 41.25 36.54 2aqc s ASN 57 CO 0.02 -1.37 -0.26 -0.54 -2.94 0.00 0.00 177.10 172.01 2aqc s LYS 58 N -4.00 2.08 -0.01 3.55 1.02 -1.26 -5.11 119.74 116.02 2aqc s LYS 58 Ca 0.66 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 2aqc s LYS 58 Cb -0.19 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2aqc s LYS 58 CO 0.38 0.55 1.09 0.00 -0.92 0.00 0.00 175.35 176.45 2aqc s ALA 59 N -0.60 3.33 -2.00 5.17 0.00 -1.26 -5.30 121.76 121.10 2aqc s ALA 59 Ca 0.10 0.63 0.20 0.00 0.00 0.00 0.00 51.96 52.89 2aqc s ALA 59 Cb -0.10 -3.42 1.22 0.00 0.00 0.00 0.00 23.12 20.82 2aqc s ALA 59 CO -0.01 -0.44 1.60 0.39 0.00 0.00 0.00 175.76 177.30