#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqc n SER -1 N 0.00 -4.27 -4.65 1.61 7.64 -1.26 -4.93 113.62 107.76 2aqc n SER -1 Ca 0.00 -0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.44 2aqc n SER -1 Cb 0.00 -3.54 0.19 0.00 -1.01 0.00 0.00 64.21 59.84 2aqc n SER -1 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2aqc s HIS 0 N -2.87 1.98 -0.22 1.43 0.00 -1.26 -5.04 115.29 109.31 2aqc s HIS 0 Ca 0.23 1.02 0.02 0.00 -3.00 0.00 0.00 55.06 53.34 2aqc s HIS 0 Cb -0.12 -3.24 0.04 0.00 -4.00 0.00 0.00 32.58 25.27 2aqc s HIS 0 CO 0.29 -3.06 -0.15 -1.64 -1.00 0.00 0.00 174.74 169.18 2aqc s MET 1 N -4.88 2.52 -0.16 -0.38 1.00 -1.26 -5.11 119.30 111.03 2aqc s MET 1 Ca 0.66 -1.11 -0.06 0.00 0.00 0.00 0.00 55.69 55.18 2aqc s MET 1 Cb -0.20 -2.74 -0.04 0.00 0.00 0.00 0.00 34.83 31.86 2aqc s MET 1 CO 0.59 -0.42 0.02 0.08 0.00 0.00 0.00 175.02 175.29 2aqc s VAL 2 N 1.19 4.42 0.04 -6.03 1.01 -1.26 -5.07 120.40 114.70 2aqc s VAL 2 Ca -0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2aqc s VAL 2 Cb -0.17 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2aqc s VAL 2 CO -0.08 0.49 1.53 -1.61 0.00 0.00 0.00 175.10 175.42 2aqc s GLU 3 N 0.26 4.24 -0.17 2.72 0.41 -1.26 -4.99 118.70 119.91 2aqc s GLU 3 Ca 0.01 2.15 -0.20 0.00 -0.41 0.00 0.00 54.97 56.52 2aqc s GLU 3 Cb -0.13 -3.58 0.05 0.00 -1.78 0.00 0.00 34.13 28.69 2aqc s GLU 3 CO 0.01 -0.66 0.54 1.41 -0.49 0.00 0.00 175.26 176.08 2aqc s MET 4 N 2.51 0.69 0.29 1.61 1.75 -1.26 -5.14 119.30 119.76 2aqc s MET 4 Ca 0.69 0.63 -0.30 0.00 -1.25 0.00 0.00 55.69 55.46 2aqc s MET 4 Cb -0.36 0.33 -0.12 0.00 2.84 0.00 0.00 34.83 37.53 2aqc s MET 4 CO 0.29 -0.11 1.60 2.89 -0.65 0.00 0.00 175.02 179.04 2aqc n ARG 5 N 2.45 2.70 -3.31 4.11 -4.01 -1.26 -4.95 116.66 112.40 2aqc n ARG 5 Ca -0.15 0.96 0.01 0.00 -1.04 0.00 0.00 57.85 57.63 2aqc n ARG 5 Cb 0.56 -2.74 0.01 0.00 -3.04 0.00 0.00 32.46 27.25 2aqc n ARG 5 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2aqc n MET 6 N 2.17 0.23 -4.43 2.89 0.00 -1.26 -4.97 117.12 111.75 2aqc n MET 6 Ca 0.09 -0.70 -0.21 0.00 0.00 0.00 0.00 57.70 56.87 2aqc n MET 6 Cb 0.37 1.06 -0.10 0.00 0.00 0.00 0.00 33.22 34.55 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 -2.02 1.55 0.04 3.17 0.00 -0.53 -4.60 119.74 117.36 2aqc s LYS 7 Ca 0.20 -1.79 0.03 0.00 0.00 0.00 0.00 55.97 54.41 2aqc s LYS 7 Cb -0.01 -1.14 -0.02 0.00 0.00 0.00 0.00 37.83 36.65 2aqc s LYS 7 CO 0.01 0.03 -0.09 0.21 0.00 0.00 0.00 175.35 175.50 2aqc s LYS 8 N -3.73 0.61 -0.20 1.78 2.20 0.60 -0.74 119.74 120.25 2aqc s LYS 8 Ca 0.30 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 2aqc s LYS 8 Cb 0.04 -0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 35.87 2aqc s LYS 8 CO 0.12 0.10 1.45 0.00 -0.36 0.00 0.00 175.35 176.66 2aqc n PRO 10 N 7.23 0.21 -0.10 0.00 -0.04 -1.26 0.16 135.00 141.20 2aqc n PRO 10 Ca 0.16 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.55 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 -1.29 0.66 -0.05 0.54 4.01 -1.26 -4.82 118.16 115.95 2aqc n LYS 11 Ca 0.07 0.24 -0.09 0.00 -0.51 0.00 0.00 58.31 58.02 2aqc n LYS 11 Cb 0.12 -1.58 -0.03 0.00 -0.51 0.00 0.00 35.03 33.03 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 2.20 1.96 3.75 0.00 0.00 0.12 -5.00 105.19 108.22 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 4.32 0.30 0.99 2.96 -1.26 -4.72 118.68 121.26 2aqc s LEU 14 Ca 0.00 0.80 -0.18 0.00 -0.22 0.00 0.00 54.13 54.53 2aqc s LEU 14 Cb 0.00 -2.62 -0.09 0.00 0.50 0.00 0.00 46.19 43.98 2aqc s LEU 14 CO 0.00 0.09 0.76 -0.31 -1.32 0.00 0.00 176.35 175.58 2aqc s TYR 15 N 0.19 3.49 0.00 5.38 1.51 -1.26 -1.28 117.35 125.38 2aqc s TYR 15 Ca 0.24 1.35 -0.29 0.00 -1.01 0.00 0.00 57.07 57.36 2aqc s TYR 15 Cb -0.15 -2.62 0.11 0.00 -0.11 0.00 0.00 41.96 39.19 2aqc s TYR 15 CO 0.10 0.17 1.26 -0.08 -1.11 0.00 0.00 175.55 175.89 2aqc s THR 16 N -1.81 0.00 0.00 -0.71 -1.32 0.08 -4.98 115.64 106.90 2aqc s THR 16 Ca 0.51 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 2aqc s THR 16 Cb -0.13 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 2aqc s THR 16 CO 0.19 0.00 0.52 0.18 -2.21 0.00 0.00 174.62 173.29 2aqc n LEU 17 N -0.68 1.02 0.00 9.08 4.77 -1.26 -1.45 117.00 128.49 2aqc n LEU 17 Ca -0.03 -1.02 0.16 0.00 -0.03 0.00 0.00 56.01 55.08 2aqc n LEU 17 Cb 0.61 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.58 2aqc n LEU 17 CO 0.14 0.26 1.08 0.29 -1.33 0.00 0.00 177.39 177.82 2aqc n LYS 18 N -0.05 0.81 -1.00 3.23 4.76 -1.26 -4.86 118.16 119.79 2aqc n LYS 18 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2aqc n LYS 18 Cb 0.05 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 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 -1.09 -1.64 -3.85 1.97 1.02 -1.26 -4.93 120.64 110.86 2aqc n GLU 19 Ca 0.21 0.41 -0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2aqc n GLU 19 Cb 0.15 -4.64 -0.12 0.00 -0.02 0.00 0.00 31.44 26.81 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 -1.18 0.03 -0.41 -3.67 -1.09 -1.26 -1.64 121.20 111.98 2aqc s ILE 20 Ca 0.00 -0.26 -0.26 0.00 -2.23 0.00 0.00 60.65 57.90 2aqc s ILE 20 Cb 0.00 -0.28 0.02 0.00 -1.58 0.00 0.00 42.46 40.62 2aqc s ILE 20 CO 0.00 -0.14 0.94 0.00 -1.23 0.00 0.00 174.94 174.51 2aqc n PRO 22 N 7.00 0.17 -0.06 0.00 -0.04 -1.26 0.52 135.00 141.34 2aqc n PRO 22 Ca 0.07 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 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 0.00 0.54 1.63 -1.97 -3.43 116.57 113.34 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 0.16 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 2aqc h LYS 23 CO 0.00 0.00 -2.23 0.00 -3.45 0.00 0.00 179.45 173.77 2aqc n GLY 25 N 2.34 1.95 3.69 0.00 0.00 0.19 -5.05 105.19 108.31 2aqc n GLY 25 Ca -0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.59 3.30 0.20 1.61 2.56 -1.24 -4.75 118.70 119.79 2aqc s GLU 26 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 54.97 54.29 2aqc s GLU 26 Cb 0.00 -2.95 -0.14 0.00 2.00 0.00 0.00 34.13 33.04 2aqc s GLU 26 CO 0.00 0.60 1.30 1.17 -0.56 0.00 0.00 175.26 177.78 2aqc n LYS 27 N 2.47 1.63 -2.74 4.30 4.81 -1.26 -1.05 118.16 126.32 2aqc n LYS 27 Ca -0.18 0.58 -0.28 0.00 -0.87 0.00 0.00 58.31 57.56 2aqc n LYS 27 Cb 0.54 -2.17 -0.01 0.00 0.02 0.00 0.00 35.03 33.41 2aqc n LYS 27 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2aqc s THR 28 N -0.07 4.91 0.07 3.15 -4.23 -0.65 -4.57 115.64 114.25 2aqc s THR 28 Ca 0.71 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 61.46 2aqc s THR 28 Cb -0.75 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.22 2aqc s THR 28 CO 0.50 -0.77 -0.09 0.68 -0.54 0.00 0.00 174.62 174.40 2aqc s VAL 29 N -2.64 0.74 -0.18 2.29 -7.23 0.83 -4.82 120.40 109.39 2aqc s VAL 29 Ca 0.47 -1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 2aqc s VAL 29 Cb -0.10 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 2aqc s VAL 29 CO 0.42 -0.50 2.08 -0.63 -0.31 0.00 0.00 175.10 176.16 2aqc s ILE 30 N -2.06 3.11 -0.23 -0.62 -1.09 -1.26 -0.30 121.20 118.75 2aqc s ILE 30 Ca -0.01 0.12 -0.29 0.00 -2.23 0.00 0.00 60.65 58.24 2aqc s ILE 30 Cb -0.05 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 2aqc s ILE 30 CO -0.00 -0.07 1.61 -2.16 -1.23 0.00 0.00 174.94 173.09 2aqc s PRO 31 N 5.77 3.77 -0.83 2.79 0.04 -1.26 -4.91 135.00 140.37 2aqc s PRO 31 Ca 0.94 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.62 2aqc s PRO 31 Cb -0.33 -4.04 0.24 0.00 0.04 0.00 0.00 34.50 30.41 2aqc s PRO 31 CO 0.36 -1.32 0.85 1.63 0.04 0.00 0.00 177.00 178.56 2aqc n LYS 32 N 7.69 2.80 -1.18 4.56 5.02 -1.26 -5.04 118.16 130.75 2aqc n LYS 32 Ca 0.19 -4.55 -0.29 0.00 -2.02 0.00 0.00 58.31 51.63 2aqc n LYS 32 Cb 0.45 -2.37 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 -0.52 0.00 0.00 177.40 175.63 2aqc s PRO 33 N -1.96 0.74 0.12 1.97 0.04 -1.26 -4.98 135.00 129.67 2aqc s PRO 33 Ca 0.31 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 61.86 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 -0.06 -2.55 1.45 -1.00 0.04 0.00 0.00 177.00 174.88 2aqc h PRO 34 N -1.77 0.84 -5.66 0.56 0.13 -2.06 -3.49 132.00 120.55 2aqc h PRO 34 Ca -0.53 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.15 2aqc h PRO 34 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2aqc h PRO 34 CO 0.56 1.08 -0.98 1.17 -0.23 0.00 0.00 178.00 179.60 2aqc n LYS 35 N -4.15 -2.20 -0.52 0.86 3.00 -1.26 -4.96 118.16 108.92 2aqc n LYS 35 Ca -0.03 1.97 0.05 0.00 -0.00 0.00 0.00 58.31 60.30 2aqc n LYS 35 Cb 0.51 -3.67 0.08 0.00 0.00 0.00 0.00 35.03 31.95 2aqc n LYS 35 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2aqc n PHE 36 N 0.82 0.00 -1.25 5.64 3.01 -1.26 -4.91 117.46 119.51 2aqc n PHE 36 Ca 0.00 -0.66 -0.29 0.00 1.01 0.00 0.00 57.45 57.51 2aqc n PHE 36 Cb 0.24 -0.13 0.21 0.00 -0.01 0.00 0.00 39.48 39.78 2aqc n PHE 36 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2aqc s SER 37 N -2.16 1.86 0.56 4.37 0.01 -1.26 -4.85 113.70 112.24 2aqc s SER 37 Ca 0.22 0.76 0.27 0.00 1.31 0.00 0.00 55.95 58.51 2aqc s SER 37 Cb 0.22 -1.12 1.50 0.00 0.21 0.00 0.00 66.02 66.82 2aqc s SER 37 CO -0.03 -3.55 2.02 -0.07 0.41 0.00 0.00 173.24 172.02 2aqc h LEU 38 N -2.19 0.00 -1.72 2.44 3.38 -1.98 -0.48 115.31 114.76 2aqc h LEU 38 Ca -0.48 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.69 2aqc h LEU 38 Cb 1.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 2aqc h LEU 38 CO 0.44 0.00 0.55 -0.08 0.09 0.00 0.00 178.44 179.44 2aqc h GLU 39 N 0.00 0.24 -4.93 1.13 4.81 -1.99 -3.37 114.58 110.47 2aqc h GLU 39 Ca 0.17 -0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.75 2aqc h GLU 39 Cb 0.81 -0.05 -0.17 0.00 0.63 0.00 0.00 28.75 29.97 2aqc h GLU 39 CO -0.00 0.16 -0.49 -0.51 -0.73 0.00 0.00 179.01 177.44 2aqc s ASP 40 N -5.80 6.05 0.00 1.04 1.11 -0.19 -5.01 116.67 113.86 2aqc s ASP 40 Ca -0.07 0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.68 2aqc s ASP 40 Cb 0.22 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 42.08 2aqc s ASP 40 CO 0.77 -0.06 0.92 0.54 1.18 0.00 0.00 175.17 178.52 2aqc n ARG 41 N 5.06 0.00 -0.02 8.23 1.74 -1.26 -4.25 116.66 126.16 2aqc n ARG 41 Ca -0.13 0.48 0.03 0.00 -0.77 0.00 0.00 57.85 57.46 2aqc n ARG 41 Cb 0.52 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.37 2aqc n ARG 41 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2aqc n TRP 42 N -1.95 0.27 0.00 -1.55 8.01 -1.26 -5.00 117.44 115.96 2aqc n TRP 42 Ca 0.00 0.09 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 2aqc n TRP 42 Cb 0.00 -0.80 0.00 0.00 -2.01 0.00 0.00 31.31 28.50 2aqc n TRP 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2aqc n GLY 43 N 1.42 1.25 0.43 6.99 0.00 -1.26 -3.80 105.19 110.22 2aqc n GLY 43 Ca -0.13 0.39 0.24 0.00 0.00 0.00 0.00 46.02 46.51 2aqc n GLY 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2aqc h LYS 44 N 0.00 0.18 -0.08 1.61 2.10 -1.94 0.20 116.57 118.64 2aqc h LYS 44 Ca 0.00 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.44 2aqc h LYS 44 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2aqc h LYS 44 CO 0.00 0.12 -0.79 -0.92 -2.00 0.00 0.00 179.45 175.86 2aqc h TYR 45 N 0.19 0.70 -0.18 0.07 5.03 -1.99 -3.14 116.97 117.65 2aqc h TYR 45 Ca 0.43 -0.32 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 2aqc h TYR 45 Cb 1.41 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.58 2aqc h TYR 45 CO -0.00 1.11 -0.06 -0.09 -1.32 0.00 0.00 178.16 177.80 2aqc h ARG 46 N 0.34 0.27 -0.07 1.82 2.43 -0.91 0.22 114.38 118.46 2aqc h ARG 46 Ca -0.05 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2aqc h ARG 46 Cb 1.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2aqc h ARG 46 CO 0.14 0.35 0.03 0.00 -1.51 0.00 0.00 179.97 178.98 2aqc h ARG 47 N 0.26 0.10 0.00 0.20 2.47 -1.37 -2.65 114.38 113.39 2aqc h ARG 47 Ca 0.06 -0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.43 2aqc h ARG 47 Cb 0.28 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.51 2aqc h ARG 47 CO 0.01 0.09 -2.26 -1.33 0.56 0.00 0.00 179.97 177.04 2aqc n MET 48 N -4.50 0.68 -0.05 0.04 2.81 -0.77 -4.28 117.12 111.05 2aqc n MET 48 Ca -0.02 0.03 0.19 0.00 -1.81 0.00 0.00 57.70 56.09 2aqc n MET 48 Cb 0.10 -1.56 0.63 0.00 -0.71 0.00 0.00 33.22 31.68 2aqc n MET 48 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2aqc h LEU 49 N 0.00 0.12-10.27 4.03 7.12 -0.25 -3.42 115.31 112.64 2aqc h LEU 49 Ca -0.49 0.01 -0.49 0.00 0.13 0.00 0.00 57.88 57.04 2aqc h LEU 49 Cb 2.16 -0.02 0.18 0.00 -0.53 0.00 0.00 40.66 42.45 2aqc h LEU 49 CO 0.04 0.06 0.19 -1.59 -0.13 0.00 0.00 178.44 177.01 2aqc s LYS 50 N -5.13 0.75 1.13 1.25 0.00 -1.10 -4.98 119.74 111.65 2aqc s LYS 50 Ca -0.06 1.09 -0.15 0.00 0.00 0.00 0.00 55.97 56.85 2aqc s LYS 50 Cb 0.20 -1.73 0.20 0.00 0.00 0.00 0.00 37.83 36.50 2aqc s LYS 50 CO 0.74 -2.67 0.63 0.54 0.00 0.00 0.00 175.35 174.59 2aqc n ARG 51 N -4.21 -1.93 -3.23 1.78 1.74 -1.26 -5.04 116.66 104.51 2aqc n ARG 51 Ca 0.08 -0.53 -0.02 0.00 -0.77 0.00 0.00 57.85 56.60 2aqc n ARG 51 Cb 0.54 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 2aqc n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aqc s ALA 52 N -2.36 -1.79 -0.01 7.54 0.00 -1.26 -5.04 121.76 118.84 2aqc s ALA 52 Ca 0.63 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2aqc s ALA 52 Cb -0.20 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2aqc s ALA 52 CO 0.65 -1.69 -0.01 -1.17 0.00 0.00 0.00 175.76 173.55 2aqc s LEU 53 N 2.69 1.71 -0.05 0.00 2.96 -1.26 -5.11 118.68 119.63 2aqc s LEU 53 Ca 0.11 -0.02 -0.34 0.00 -0.22 0.00 0.00 54.13 53.67 2aqc s LEU 53 Cb -0.12 -0.12 -0.12 0.00 0.50 0.00 0.00 46.19 46.34 2aqc s LEU 53 CO -0.26 -0.02 1.86 2.29 -1.32 0.00 0.00 176.35 178.89 2aqc n LYS 54 N 3.41 2.25 -3.86 1.98 2.85 -1.26 -4.96 118.16 118.57 2aqc n LYS 54 Ca -0.17 0.82 -0.27 0.00 -1.05 0.00 0.00 58.31 57.64 2aqc n LYS 54 Cb 0.56 -2.67 -0.17 0.00 -0.65 0.00 0.00 35.03 32.10 2aqc n LYS 54 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2aqc s ASN 55 N 3.73 2.64 1.14 -5.58 2.47 -1.26 -5.14 114.94 112.94 2aqc s ASN 55 Ca 0.91 -0.59 -0.15 0.00 0.42 0.00 0.00 52.86 53.45 2aqc s ASN 55 Cb -0.66 -0.81 0.26 0.00 -1.45 0.00 0.00 41.25 38.58 2aqc s ASN 55 CO 0.49 -0.19 1.06 -0.54 -3.72 0.00 0.00 177.10 174.20 2aqc s LYS 56 N 1.71 -0.70 -0.47 0.43 -0.14 -1.26 -4.82 119.74 114.48 2aqc s LYS 56 Ca 0.01 0.41 -0.28 0.00 -1.36 0.00 0.00 55.97 54.75 2aqc s LYS 56 Cb -0.15 -1.61 -0.09 0.00 -1.68 0.00 0.00 37.83 34.30 2aqc s LYS 56 CO -0.07 -3.47 2.38 0.09 -0.76 0.00 0.00 175.35 173.51 2aqc n ASN 57 N -4.67 2.28 -3.87 2.83 3.02 -1.26 -4.92 115.26 108.67 2aqc n ASN 57 Ca 0.07 -0.15 -0.21 0.00 -0.03 0.00 0.00 54.58 54.26 2aqc n ASN 57 Cb 0.57 -1.46 -0.17 0.00 -0.61 0.00 0.00 39.78 38.12 2aqc n ASN 57 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2aqc s LYS 58 N 7.65 0.84 -0.15 3.52 2.36 -1.26 -5.13 119.74 127.57 2aqc s LYS 58 Ca 1.05 -0.07 -0.01 0.00 -2.55 0.00 0.00 55.97 54.38 2aqc s LYS 58 Cb -0.43 -0.93 -0.01 0.00 -1.05 0.00 0.00 37.83 35.41 2aqc s LYS 58 CO 0.34 -0.14 -0.10 0.00 1.55 0.00 0.00 175.35 176.99 2aqc s ALA 59 N 1.20 2.70 -1.37 3.13 0.00 -1.26 -5.23 121.76 120.94 2aqc s ALA 59 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2aqc s ALA 59 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2aqc s ALA 59 CO -0.02 0.11 0.34 -0.85 0.00 0.00 0.00 175.76 175.34