#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqc s SER -1 N 0.00 -0.58 0.34 1.61 0.01 -1.26 -5.15 113.70 108.66 2aqc s SER -1 Ca 0.00 1.07 -0.26 0.00 1.31 0.00 0.00 55.95 58.07 2aqc s SER -1 Cb 0.00 1.04 -0.09 0.00 0.21 0.00 0.00 66.02 67.17 2aqc s SER -1 CO 0.00 -0.19 1.02 -1.00 0.41 0.00 0.00 173.24 173.48 2aqc s HIS 0 N 0.68 3.51 0.19 2.43 0.09 -1.26 -5.06 115.29 115.87 2aqc s HIS 0 Ca -0.03 1.72 0.07 0.00 -0.00 0.00 0.00 55.06 56.82 2aqc s HIS 0 Cb -0.05 -3.09 -0.05 0.00 -0.00 0.00 0.00 32.58 29.39 2aqc s HIS 0 CO -0.05 -0.29 -0.14 0.00 -0.00 0.00 0.00 174.74 174.26 2aqc s MET 1 N -2.05 1.28 0.08 1.40 0.00 -1.26 -5.15 119.30 113.60 2aqc s MET 1 Ca 0.52 -1.55 -0.07 0.00 0.00 0.00 0.00 55.69 54.59 2aqc s MET 1 Cb -0.23 -1.05 -0.05 0.00 0.00 0.00 0.00 34.83 33.49 2aqc s MET 1 CO 0.30 0.17 0.35 0.54 0.00 0.00 0.00 175.02 176.38 2aqc s VAL 2 N -2.95 5.19 -0.45 5.16 0.11 -1.26 -5.05 120.40 121.14 2aqc s VAL 2 Ca 0.21 0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 59.20 2aqc s VAL 2 Cb -0.01 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2aqc s VAL 2 CO 0.06 0.22 0.91 -1.61 -3.33 0.00 0.00 175.10 171.35 2aqc s GLU 3 N -2.13 3.54 0.03 1.54 2.02 -1.26 -5.01 118.70 117.42 2aqc s GLU 3 Ca 0.34 0.16 -0.01 0.00 0.02 0.00 0.00 54.97 55.49 2aqc s GLU 3 Cb -0.13 -3.92 -0.02 0.00 0.10 0.00 0.00 34.13 30.16 2aqc s GLU 3 CO 0.20 -1.19 -0.02 -1.64 0.02 0.00 0.00 175.26 172.62 2aqc s MET 4 N 3.69 0.38 0.62 1.61 -1.94 -1.26 -5.15 119.30 117.25 2aqc s MET 4 Ca 0.36 -0.72 -0.18 0.00 -1.71 0.00 0.00 55.69 53.44 2aqc s MET 4 Cb -0.10 0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.85 2aqc s MET 4 CO 0.25 -0.07 1.23 0.50 -0.01 0.00 0.00 175.02 176.92 2aqc s ARG 5 N -1.96 2.80 -0.18 2.03 3.00 -1.26 -5.03 118.95 118.36 2aqc s ARG 5 Ca -0.11 1.87 -0.33 0.00 -1.00 0.00 0.00 55.73 56.15 2aqc s ARG 5 Cb -0.06 -1.90 0.14 0.00 0.00 0.00 0.00 34.95 33.13 2aqc s ARG 5 CO -0.03 -1.35 1.17 1.41 0.00 0.00 0.00 175.30 176.51 2aqc s MET 6 N -3.41 0.36 0.39 5.12 1.75 -1.26 -4.98 119.30 117.27 2aqc s MET 6 Ca 0.78 -0.09 0.03 0.00 -1.25 0.00 0.00 55.69 55.17 2aqc s MET 6 Cb -0.32 0.17 -0.04 0.00 2.84 0.00 0.00 34.83 37.48 2aqc s MET 6 CO 0.36 -0.15 0.09 -1.59 -0.65 0.00 0.00 175.02 173.08 2aqc s LYS 7 N -2.19 1.86 0.00 4.11 -2.85 -0.63 -4.68 119.74 115.36 2aqc s LYS 7 Ca 0.08 -2.11 -0.06 0.00 -1.00 0.00 0.00 55.97 52.88 2aqc s LYS 7 Cb -0.01 -0.82 -0.00 0.00 -2.06 0.00 0.00 37.83 34.94 2aqc s LYS 7 CO -0.05 -0.35 0.11 0.21 0.10 0.00 0.00 175.35 175.36 2aqc s LYS 8 N -3.80 0.43 -0.19 1.78 2.20 0.76 -1.13 119.74 119.79 2aqc s LYS 8 Ca 0.26 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 2aqc s LYS 8 Cb 0.05 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2aqc s LYS 8 CO 0.14 -0.10 1.44 0.00 -0.36 0.00 0.00 175.35 176.46 2aqc n PRO 10 N 7.16 0.22 -0.10 0.00 -0.04 -1.26 0.17 135.00 141.16 2aqc n PRO 10 Ca 0.16 0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 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 0.66 -0.04 0.54 4.01 -1.26 -4.83 118.16 115.97 2aqc n LYS 11 Ca 0.07 0.24 -0.08 0.00 -0.51 0.00 0.00 58.31 58.03 2aqc n LYS 11 Cb 0.11 -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 2.37 1.85 3.73 0.00 0.00 0.13 -5.00 105.19 108.27 2aqc n GLY 13 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 4.25 0.33 0.99 2.96 -1.26 -4.73 118.68 121.22 2aqc s LEU 14 Ca 0.00 0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 54.17 2aqc s LEU 14 Cb 0.00 -2.35 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 2aqc s LEU 14 CO 0.00 0.11 0.90 -0.31 -1.32 0.00 0.00 176.35 175.73 2aqc s TYR 15 N 0.42 3.58 -0.00 5.38 1.51 -1.26 -1.44 117.35 125.53 2aqc s TYR 15 Ca 0.16 1.65 -0.25 0.00 -1.01 0.00 0.00 57.07 57.62 2aqc s TYR 15 Cb -0.13 -2.84 0.08 0.00 -0.11 0.00 0.00 41.96 38.97 2aqc s TYR 15 CO 0.04 0.15 1.13 -2.37 -1.11 0.00 0.00 175.55 173.39 2aqc n THR 16 N 0.26 0.00 -0.60 -0.71 5.66 -0.28 -4.98 114.28 113.63 2aqc n THR 16 Ca 0.03 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2aqc n THR 16 Cb 0.51 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 2aqc n THR 16 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2aqc n LEU 17 N 0.00 0.54 -0.04 1.09 4.77 -1.26 -1.61 117.00 120.48 2aqc n LEU 17 Ca 0.03 -0.54 0.16 0.00 -0.03 0.00 0.00 56.01 55.63 2aqc n LEU 17 Cb 0.52 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.51 2aqc n LEU 17 CO 0.14 0.14 1.08 0.29 -1.33 0.00 0.00 177.39 177.71 2aqc n LYS 18 N -0.07 1.01 -1.03 3.23 5.02 -1.26 -4.86 118.16 120.20 2aqc n LYS 18 Ca 0.00 -0.09 -0.01 0.00 -2.02 0.00 0.00 58.31 56.20 2aqc n LYS 18 Cb 0.24 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.92 -1.66 -3.85 1.97 1.02 -1.26 -4.93 120.64 111.01 2aqc n GLU 19 Ca 0.23 0.46 -0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2aqc n GLU 19 Cb 0.14 -4.72 -0.12 0.00 -0.02 0.00 0.00 31.44 26.73 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 -1.23 0.04 -0.41 -3.67 -1.09 -1.26 -1.53 121.20 112.03 2aqc s ILE 20 Ca 0.00 -0.29 -0.23 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 40.61 2aqc s ILE 20 CO 0.00 -0.16 0.77 0.00 -1.23 0.00 0.00 174.94 174.32 2aqc n PRO 22 N 6.57 0.14 -0.05 0.00 -0.04 -1.26 0.51 135.00 140.87 2aqc n PRO 22 Ca 0.02 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.65 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 3.64 -1.96 -3.43 116.57 115.36 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 0.17 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 2aqc h LYS 23 CO 0.00 0.00 -2.41 0.00 -2.27 0.00 0.00 179.45 174.77 2aqc n GLY 25 N 2.12 1.86 3.61 0.00 0.00 0.18 -5.06 105.19 107.90 2aqc n GLY 25 Ca -0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 0.35 1.61 2.56 -1.23 -4.75 118.70 119.77 2aqc s GLU 26 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 54.97 54.22 2aqc s GLU 26 Cb 0.00 -2.72 -0.12 0.00 2.00 0.00 0.00 34.13 33.28 2aqc s GLU 26 CO 0.00 0.61 1.02 1.63 -0.56 0.00 0.00 175.26 177.96 2aqc n LYS 27 N 2.40 1.40 -2.95 4.30 5.02 -1.26 -0.26 118.16 126.81 2aqc n LYS 27 Ca -0.18 0.50 -0.26 0.00 -2.02 0.00 0.00 58.31 56.35 2aqc n LYS 27 Cb 0.53 -1.96 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.17 4.99 0.05 -0.18 -4.23 -0.58 -4.59 115.64 109.93 2aqc s THR 28 Ca 0.60 -0.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.05 2aqc s THR 28 Cb -0.63 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.32 2aqc s THR 28 CO 0.59 -0.72 -0.06 0.68 -0.54 0.00 0.00 174.62 174.56 2aqc s VAL 29 N -2.56 0.48 -0.20 2.29 -7.23 0.80 -4.85 120.40 109.14 2aqc s VAL 29 Ca 0.44 -1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 58.98 2aqc s VAL 29 Cb -0.10 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 2aqc s VAL 29 CO 0.41 -0.59 1.94 -0.63 -0.31 0.00 0.00 175.10 175.92 2aqc s ILE 30 N -2.23 3.28 -0.65 -0.62 -1.09 -1.26 -0.17 121.20 118.46 2aqc s ILE 30 Ca -0.04 0.30 -0.26 0.00 -2.23 0.00 0.00 60.65 58.42 2aqc s ILE 30 Cb -0.04 -3.31 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 2aqc s ILE 30 CO -0.02 -0.16 1.87 -2.16 -1.23 0.00 0.00 174.94 173.24 2aqc s PRO 31 N 5.46 2.61 0.94 2.79 0.04 -1.26 -4.91 135.00 140.68 2aqc s PRO 31 Ca 0.87 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 2aqc s PRO 31 Cb -0.31 -4.48 0.11 0.00 0.04 0.00 0.00 34.50 29.87 2aqc s PRO 31 CO 0.34 -2.82 0.84 1.63 0.04 0.00 0.00 177.00 177.04 2aqc n LYS 32 N 9.15 -0.49 -1.18 4.56 5.02 -1.26 -4.99 118.16 128.97 2aqc n LYS 32 Ca 0.23 -0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 56.14 2aqc n LYS 32 Cb 0.51 -2.16 0.16 0.00 -0.02 0.00 0.00 35.03 33.52 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 -4.23 0.72 0.04 1.97 0.04 -1.26 -4.97 135.00 127.31 2aqc s PRO 33 Ca 0.63 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.00 2aqc s PRO 33 Cb -0.22 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2aqc s PRO 33 CO 0.62 -2.56 1.41 -1.25 0.04 0.00 0.00 177.00 175.26 2aqc s PRO 34 N -4.95 4.29 0.84 0.56 0.04 -1.26 -4.99 135.00 129.54 2aqc s PRO 34 Ca 0.65 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.58 2aqc s PRO 34 Cb -0.18 -3.47 0.07 0.00 0.04 0.00 0.00 34.50 30.95 2aqc s PRO 34 CO 0.57 -0.54 0.94 1.17 0.04 0.00 0.00 177.00 179.18 2aqc n LYS 35 N 4.92 -0.00 0.30 4.56 3.00 -1.26 -4.86 118.16 124.82 2aqc n LYS 35 Ca 0.13 0.07 -0.17 0.00 -0.00 0.00 0.00 58.31 58.34 2aqc n LYS 35 Cb 0.43 -2.22 -0.09 0.00 0.00 0.00 0.00 35.03 33.15 2aqc n LYS 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2aqc h PHE 36 N -1.13 -0.68 -0.83 5.64 0.04 -1.94 -2.64 116.94 115.40 2aqc h PHE 36 Ca -0.45 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.31 2aqc h PHE 36 Cb 1.30 0.22 -0.04 0.00 2.20 0.00 0.00 35.95 39.63 2aqc h PHE 36 CO 0.44 -0.41 0.55 0.77 -0.60 0.00 0.00 178.31 179.06 2aqc h SER 37 N -0.77 0.94 -0.23 2.17 0.02 -2.00 -1.28 113.55 112.40 2aqc h SER 37 Ca -0.07 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2aqc h SER 37 Cb 0.58 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2aqc h SER 37 CO 0.12 0.68 0.19 -0.07 -1.14 0.00 0.00 176.83 176.61 2aqc h LEU 38 N 1.11 0.00 -6.39 5.07 3.38 -1.87 -3.40 115.31 113.22 2aqc h LEU 38 Ca 0.30 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.30 2aqc h LEU 38 Cb -0.12 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.40 2aqc h LEU 38 CO -0.07 0.00 -0.29 -0.70 0.09 0.00 0.00 178.44 177.47 2aqc s GLU 39 N -4.92 0.51 0.33 1.13 2.56 -0.49 -4.98 118.70 112.84 2aqc s GLU 39 Ca -0.05 1.01 -0.11 0.00 0.00 0.00 0.00 54.97 55.82 2aqc s GLU 39 Cb 0.17 0.40 0.02 0.00 2.00 0.00 0.00 34.13 36.72 2aqc s GLU 39 CO 0.65 -0.51 0.60 0.34 -0.56 0.00 0.00 175.26 175.79 2aqc s ASP 40 N 2.78 0.25 0.20 -1.70 2.15 -1.18 -4.59 116.67 114.58 2aqc s ASP 40 Ca 0.12 -1.15 -0.11 0.00 0.43 0.00 0.00 52.55 51.84 2aqc s ASP 40 Cb -0.14 0.71 0.14 0.00 -0.30 0.00 0.00 42.92 43.33 2aqc s ASP 40 CO -0.19 -1.39 1.87 -0.09 -0.17 0.00 0.00 175.17 175.20 2aqc h ARG 41 N 2.10 0.96 -0.52 4.34 1.12 -1.99 -2.19 114.38 118.20 2aqc h ARG 41 Ca -0.28 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.52 2aqc h ARG 41 Cb 1.25 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 30.99 2aqc h ARG 41 CO 0.37 0.64 0.01 0.91 -3.11 0.00 0.00 179.97 178.79 2aqc n TRP 42 N -4.57 1.88 -0.06 2.20 5.03 -1.26 -4.57 117.44 116.09 2aqc n TRP 42 Ca 0.07 -0.77 0.24 0.00 3.03 0.00 0.00 57.50 60.06 2aqc n TRP 42 Cb 0.02 -0.48 0.72 0.00 -1.03 0.00 0.00 31.31 30.54 2aqc n TRP 42 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 2aqc h GLY 43 N 3.54 0.00 1.48 6.99 0.00 -1.72 0.24 103.07 113.60 2aqc h GLY 43 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 2aqc h GLY 43 CO 0.45 0.00 -1.17 0.07 0.00 0.00 0.00 176.54 175.89 2aqc h LYS 44 N 0.00 0.00 -0.54 4.80 2.10 -1.81 -3.31 116.57 117.81 2aqc h LYS 44 Ca 0.32 0.00 0.16 0.00 -2.00 0.00 0.00 60.65 59.12 2aqc h LYS 44 Cb 1.37 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.68 2aqc h LYS 44 CO -0.00 0.58 0.44 -0.92 -2.00 0.00 0.00 179.45 177.54 2aqc h TYR 45 N 0.00 0.00 -0.84 0.07 5.03 -0.84 0.14 116.97 120.53 2aqc h TYR 45 Ca -0.12 0.00 0.21 0.00 2.58 0.00 0.00 58.73 61.40 2aqc h TYR 45 Cb 1.70 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.93 2aqc h TYR 45 CO 0.00 0.00 0.57 0.07 -1.32 0.00 0.00 178.16 177.48 2aqc h ARG 46 N 0.00 0.23 -0.67 1.82 0.11 -1.64 0.16 114.38 114.39 2aqc h ARG 46 Ca 0.26 -0.01 0.13 0.00 0.10 0.00 0.00 59.98 60.45 2aqc h ARG 46 Cb 1.13 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 32.12 2aqc h ARG 46 CO -0.00 0.15 0.45 0.00 0.10 0.00 0.00 179.97 180.67 2aqc h ARG 47 N 0.24 0.36 0.01 0.08 3.08 -1.22 0.42 114.38 117.34 2aqc h ARG 47 Ca 0.42 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 60.26 2aqc h ARG 47 Cb 1.28 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 2aqc h ARG 47 CO -0.10 0.24 -0.87 1.98 -1.07 0.00 0.00 179.97 180.15 2aqc h MET 48 N 0.37 0.11 0.00 0.04 4.05 -0.87 -3.38 114.93 115.25 2aqc h MET 48 Ca 0.32 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2aqc h MET 48 Cb 0.75 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 2aqc h MET 48 CO -0.09 0.90 0.00 1.28 0.23 0.00 0.00 176.91 179.24 2aqc n LEU 49 N -3.61 0.30 -4.58 3.39 4.32 0.10 -4.49 117.00 112.43 2aqc n LEU 49 Ca -0.02 0.66 -0.41 0.00 -0.02 0.00 0.00 56.01 56.21 2aqc n LEU 49 Cb 0.81 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 42.32 2aqc n LEU 49 CO 0.47 -0.26 1.61 -0.54 -1.22 0.00 0.00 177.39 177.45 2aqc s LYS 50 N -1.72 2.97 0.01 3.23 1.02 -0.99 -4.80 119.74 119.46 2aqc s LYS 50 Ca 0.00 1.16 0.18 0.00 0.02 0.00 0.00 55.97 57.33 2aqc s LYS 50 Cb 0.00 -4.30 -0.18 0.00 -0.52 0.00 0.00 37.83 32.83 2aqc s LYS 50 CO 0.00 -2.29 0.65 -2.13 -0.92 0.00 0.00 175.35 170.65 2aqc n ARG 51 N 8.75 0.64 0.20 1.68 0.63 -1.26 -4.08 116.66 123.21 2aqc n ARG 51 Ca 0.23 0.12 0.04 0.00 -0.92 0.00 0.00 57.85 57.32 2aqc n ARG 51 Cb 0.49 -1.72 0.42 0.00 0.45 0.00 0.00 32.46 32.11 2aqc n ARG 51 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2aqc h ALA 52 N 1.45 1.41 -3.29 5.13 0.00 -1.97 -3.41 119.26 118.59 2aqc h ALA 52 Ca -0.20 -0.28 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 2aqc h ALA 52 Cb 1.59 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.99 2aqc h ALA 52 CO 0.03 0.39 -0.83 -1.17 0.00 0.00 0.00 179.25 177.67 2aqc s LEU 53 N -8.12 1.73 -0.03 0.00 2.96 -1.26 -5.13 118.68 108.84 2aqc s LEU 53 Ca -0.03 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2aqc s LEU 53 Cb 0.14 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.77 2aqc s LEU 53 CO 0.70 0.02 -0.09 -0.54 -1.32 0.00 0.00 176.35 175.13 2aqc s LYS 54 N 0.92 1.04 0.67 1.98 1.02 -1.26 -4.81 119.74 119.30 2aqc s LYS 54 Ca -0.08 -0.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.47 2aqc s LYS 54 Cb -0.15 -0.96 0.00 0.00 -0.52 0.00 0.00 37.83 36.20 2aqc s LYS 54 CO -0.00 0.09 1.09 -0.80 -0.92 0.00 0.00 175.35 174.80 2aqc s ASN 55 N 0.30 5.20 0.05 2.83 0.01 -1.26 -5.03 114.94 117.04 2aqc s ASN 55 Ca -0.05 1.88 -0.12 0.00 -0.71 0.00 0.00 52.86 53.86 2aqc s ASN 55 Cb -0.10 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 38.97 2aqc s ASN 55 CO 0.01 -1.56 0.41 -0.75 -1.51 0.00 0.00 177.10 173.69 2aqc s LYS 56 N -4.33 3.82 0.58 -0.60 2.47 -1.26 -5.09 119.74 115.33 2aqc s LYS 56 Ca 0.64 0.27 -0.09 0.00 -1.56 0.00 0.00 55.97 55.23 2aqc s LYS 56 Cb -0.18 -3.07 -0.04 0.00 -1.46 0.00 0.00 37.83 33.08 2aqc s LYS 56 CO 0.44 0.61 0.95 -0.80 0.16 0.00 0.00 175.35 176.70 2aqc s ASN 57 N -1.50 6.20 0.25 1.43 -0.87 -1.26 -4.98 114.94 114.20 2aqc s ASN 57 Ca 0.30 1.23 -0.04 0.00 -1.57 0.00 0.00 52.86 52.77 2aqc s ASN 57 Cb -0.15 -2.36 0.28 0.00 -0.02 0.00 0.00 41.25 39.00 2aqc s ASN 57 CO 0.16 -0.79 1.78 0.50 -2.57 0.00 0.00 177.10 176.17 2aqc h LYS 58 N -0.14 0.95 -6.75 -0.60 1.63 -2.08 -3.42 116.57 106.16 2aqc h LYS 58 Ca -0.45 -0.21 -0.53 0.00 -0.85 0.00 0.00 60.65 58.61 2aqc h LYS 58 Cb 1.20 -0.13 0.06 0.00 -0.60 0.00 0.00 32.23 32.75 2aqc h LYS 58 CO 0.62 0.86 0.75 0.00 -3.45 0.00 0.00 179.45 178.22 2aqc s ALA 59 N -5.23 3.61 -1.76 5.00 0.00 -1.26 -5.37 121.76 116.75 2aqc s ALA 59 Ca -0.11 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2aqc s ALA 59 Cb 0.15 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2aqc s ALA 59 CO 0.82 -0.73 0.44 -0.85 0.00 0.00 0.00 175.76 175.44