#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 6.26 -0.03 1.61 0.15 -1.26 -4.94 113.70 115.49 2aqc s SER -1 Ca 0.00 0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.99 2aqc s SER -1 Cb 0.00 -2.14 -0.07 0.00 -1.71 0.00 0.00 66.02 62.10 2aqc s SER -1 CO 0.00 0.08 0.06 1.57 1.20 0.00 0.00 173.24 176.15 2aqc n HIS 0 N 3.96 0.00 -1.69 3.44 -0.00 -1.26 -5.01 115.22 114.67 2aqc n HIS 0 Ca -0.14 0.00 -0.52 0.00 -0.00 0.00 0.00 57.72 57.07 2aqc n HIS 0 Cb 0.52 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.99 30.26 2aqc n HIS 0 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2aqc n MET 1 N -1.96 1.78 -4.42 1.57 0.00 -1.26 -4.96 117.12 107.87 2aqc n MET 1 Ca -0.05 0.65 -0.21 0.00 -0.00 0.00 0.00 57.70 58.09 2aqc n MET 1 Cb 0.43 -2.43 -0.14 0.00 0.00 0.00 0.00 33.22 31.08 2aqc n MET 1 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2aqc s VAL 2 N 3.52 1.14 -1.43 1.12 -7.23 -1.26 -4.77 120.40 111.49 2aqc s VAL 2 Ca 0.93 -0.94 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 2aqc s VAL 2 Cb -0.83 -1.02 0.05 0.00 0.56 0.00 0.00 36.38 35.14 2aqc s VAL 2 CO 0.55 0.07 0.66 -0.62 -0.31 0.00 0.00 175.10 175.45 2aqc n GLU 3 N 2.04 -4.55 -0.34 4.82 -0.58 -1.26 -4.94 120.64 115.83 2aqc n GLU 3 Ca -0.17 0.67 -0.28 0.00 -0.42 0.00 0.00 57.16 56.96 2aqc n GLU 3 Cb 0.55 -5.48 0.26 0.00 -0.57 0.00 0.00 31.44 26.19 2aqc n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aqc n MET 4 N -4.08 -3.92 -3.55 3.49 0.00 -1.26 -5.06 117.12 102.74 2aqc n MET 4 Ca -0.04 -1.16 -0.07 0.00 0.00 0.00 0.00 57.70 56.44 2aqc n MET 4 Cb 0.57 -1.85 -0.02 0.00 0.00 0.00 0.00 33.22 31.91 2aqc n MET 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2aqc s ARG 5 N -4.57 0.58 0.00 3.17 3.03 -1.26 -5.19 118.95 114.71 2aqc s ARG 5 Ca 0.61 -0.18 -0.02 0.00 2.03 0.00 0.00 55.73 58.16 2aqc s ARG 5 Cb -0.13 0.27 0.01 0.00 -1.03 0.00 0.00 34.95 34.07 2aqc s ARG 5 CO 0.53 -0.25 0.11 0.00 -1.13 0.00 0.00 175.30 174.57 2aqc n MET 6 N -0.07 0.03 -4.56 3.89 0.00 -1.26 -5.00 117.12 110.15 2aqc n MET 6 Ca -0.05 -0.09 -0.27 0.00 0.00 0.00 0.00 57.70 57.29 2aqc n MET 6 Cb 0.60 0.14 -0.08 0.00 0.00 0.00 0.00 33.22 33.88 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 -2.00 1.96 -0.01 3.17 -2.85 -0.65 -4.70 119.74 114.65 2aqc s LYS 7 Ca 0.03 -2.20 -0.09 0.00 -1.00 0.00 0.00 55.97 52.71 2aqc s LYS 7 Cb -0.00 -0.83 0.01 0.00 -2.06 0.00 0.00 37.83 34.94 2aqc s LYS 7 CO 0.00 -0.42 0.18 0.21 0.10 0.00 0.00 175.35 175.42 2aqc s LYS 8 N -3.76 0.50 -0.21 1.78 2.20 0.36 -1.24 119.74 119.38 2aqc s LYS 8 Ca 0.21 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.25 2aqc s LYS 8 Cb 0.03 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2aqc s LYS 8 CO 0.12 -0.12 1.46 0.00 -0.36 0.00 0.00 175.35 176.45 2aqc n PRO 10 N 7.26 0.19 -0.10 0.00 -0.04 -1.26 0.12 135.00 141.17 2aqc n PRO 10 Ca 0.16 0.15 -0.23 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 -1.30 0.64 -0.06 0.54 4.01 -1.26 -4.82 118.16 115.91 2aqc n LYS 11 Ca 0.07 0.30 -0.11 0.00 -0.51 0.00 0.00 58.31 58.06 2aqc n LYS 11 Cb 0.12 -1.60 -0.04 0.00 -0.51 0.00 0.00 35.03 33.01 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 2.03 2.00 3.74 0.00 0.00 0.12 -5.00 105.19 108.07 2aqc n GLY 13 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 4.27 0.31 0.99 2.96 -1.26 -4.74 118.68 121.21 2aqc s LEU 14 Ca 0.00 0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 54.26 2aqc s LEU 14 Cb 0.00 -2.40 -0.09 0.00 0.50 0.00 0.00 46.19 44.19 2aqc s LEU 14 CO 0.00 0.12 0.84 -0.31 -1.32 0.00 0.00 176.35 175.67 2aqc s TYR 15 N 0.31 3.56 0.04 5.38 1.51 -1.26 -1.28 117.35 125.61 2aqc s TYR 15 Ca 0.18 1.53 -0.25 0.00 -1.01 0.00 0.00 57.07 57.52 2aqc s TYR 15 Cb -0.13 -2.74 0.08 0.00 -0.11 0.00 0.00 41.96 39.06 2aqc s TYR 15 CO 0.05 0.18 1.14 -2.37 -1.11 0.00 0.00 175.55 173.45 2aqc n THR 16 N 0.28 0.00 -0.50 -0.71 5.66 -0.37 -4.98 114.28 113.66 2aqc n THR 16 Ca 0.02 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2aqc n THR 16 Cb 0.52 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.89 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 0.64 -0.01 1.09 4.77 -1.26 -1.63 117.00 120.59 2aqc n LEU 17 Ca 0.02 -0.64 0.16 0.00 -0.03 0.00 0.00 56.01 55.53 2aqc n LEU 17 Cb 0.55 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.53 2aqc n LEU 17 CO 0.16 0.16 1.08 0.29 -1.33 0.00 0.00 177.39 177.75 2aqc n LYS 18 N -0.07 0.86 -0.92 3.23 4.76 -1.26 -4.86 118.16 119.89 2aqc n LYS 18 Ca 0.00 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2aqc n LYS 18 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.06 -1.19 -3.84 1.97 1.02 -1.26 -4.93 120.64 111.34 2aqc n GLU 19 Ca 0.21 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.53 2aqc n GLU 19 Cb 0.15 -4.39 -0.12 0.00 -0.02 0.00 0.00 31.44 27.06 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 -1.35 0.03 -0.40 -3.67 -1.09 -1.26 -1.74 121.20 111.71 2aqc s ILE 20 Ca 0.00 -0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 57.91 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 -0.13 0.99 0.00 -1.23 0.00 0.00 174.94 174.57 2aqc n PRO 22 N 7.10 0.23 -0.05 0.00 -0.04 -1.26 0.52 135.00 141.48 2aqc n PRO 22 Ca 0.09 0.14 -0.03 0.00 -0.04 0.00 0.00 63.50 63.66 2aqc n PRO 22 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 2aqc h LYS 23 Cb 0.13 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.69 2aqc h LYS 23 CO 0.00 0.00 -2.44 0.00 -3.45 0.00 0.00 179.45 173.56 2aqc n GLY 25 N 2.08 1.96 3.64 0.00 0.00 0.18 -5.05 105.19 108.01 2aqc n GLY 25 Ca -0.41 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.77 2.93 0.24 1.61 2.56 -1.24 -4.76 118.70 119.27 2aqc s GLU 26 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 54.97 54.20 2aqc s GLU 26 Cb 0.00 -2.73 -0.14 0.00 2.00 0.00 0.00 34.13 33.26 2aqc s GLU 26 CO 0.00 0.67 1.15 1.17 -0.56 0.00 0.00 175.26 177.69 2aqc n LYS 27 N 2.24 1.45 -2.92 4.30 0.00 -1.26 -1.01 118.16 120.96 2aqc n LYS 27 Ca -0.18 0.51 -0.25 0.00 0.00 0.00 0.00 58.31 58.39 2aqc n LYS 27 Cb 0.53 -1.99 0.00 0.00 0.00 0.00 0.00 35.03 33.57 2aqc n LYS 27 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2aqc s THR 28 N -0.56 4.67 0.04 3.15 -4.23 -0.71 -4.58 115.64 113.42 2aqc s THR 28 Ca 0.65 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2aqc s THR 28 Cb -0.74 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.33 2aqc s THR 28 CO 0.55 -0.61 -0.04 0.68 -0.54 0.00 0.00 174.62 174.66 2aqc s VAL 29 N -2.59 0.27 -0.19 2.29 -7.23 0.73 -4.85 120.40 108.83 2aqc s VAL 29 Ca 0.46 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 2aqc s VAL 29 Cb -0.10 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2aqc s VAL 29 CO 0.41 -0.68 1.98 -0.63 -0.31 0.00 0.00 175.10 175.86 2aqc s ILE 30 N -2.47 3.23 -0.12 -0.62 -1.09 -1.26 -0.49 121.20 118.38 2aqc s ILE 30 Ca -0.05 0.25 -0.29 0.00 -2.23 0.00 0.00 60.65 58.33 2aqc s ILE 30 Cb -0.03 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 2aqc s ILE 30 CO -0.04 -0.14 1.54 -2.16 -1.23 0.00 0.00 174.94 172.91 2aqc s PRO 31 N 5.55 4.11 -0.54 2.79 0.04 -1.26 -4.92 135.00 140.77 2aqc s PRO 31 Ca 0.89 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.91 2aqc s PRO 31 Cb -0.31 -3.94 0.21 0.00 0.04 0.00 0.00 34.50 30.50 2aqc s PRO 31 CO 0.35 -0.91 0.51 1.63 0.04 0.00 0.00 177.00 178.62 2aqc n LYS 32 N 7.11 1.27 -1.18 4.56 5.02 -1.26 -5.04 118.16 128.64 2aqc n LYS 32 Ca 0.17 -3.87 -0.29 0.00 -2.02 0.00 0.00 58.31 52.29 2aqc n LYS 32 Cb 0.44 -1.86 0.16 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.19 0.75 1.14 1.97 0.04 -1.26 -5.05 135.00 131.39 2aqc s PRO 33 Ca 0.33 0.64 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 2aqc s PRO 33 Cb 0.07 -1.76 0.28 0.00 0.04 0.00 0.00 34.50 33.13 2aqc s PRO 33 CO -0.13 -2.54 1.01 -0.35 0.04 0.00 0.00 177.00 175.03 2aqc n PRO 34 N -4.06 -3.00 -2.64 0.56 -0.04 -1.26 -4.98 135.00 119.58 2aqc n PRO 34 Ca 0.06 -1.62 -0.42 0.00 -0.04 0.00 0.00 63.50 61.48 2aqc n PRO 34 Cb 0.56 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2aqc n PRO 34 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2aqc s LYS 35 N -5.30 4.46 -0.49 0.54 2.47 -1.26 -4.94 119.74 115.22 2aqc s LYS 35 Ca 0.66 1.47 -0.27 0.00 -1.56 0.00 0.00 55.97 56.27 2aqc s LYS 35 Cb -0.06 -3.50 -0.08 0.00 -1.46 0.00 0.00 37.83 32.73 2aqc s LYS 35 CO 0.50 -0.24 2.41 1.19 0.16 0.00 0.00 175.35 179.38 2aqc n PHE 36 N 4.57 1.43 -3.90 4.03 3.01 -1.26 -4.91 117.46 120.43 2aqc n PHE 36 Ca 0.08 0.12 -0.30 0.00 1.01 0.00 0.00 57.45 58.36 2aqc n PHE 36 Cb 0.49 -2.63 -0.16 0.00 -0.01 0.00 0.00 39.48 37.18 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 11.45 3.68 0.42 4.37 0.01 -1.26 -4.99 113.70 127.37 2aqc s SER 37 Ca 1.02 -1.12 0.16 0.00 1.31 0.00 0.00 55.95 57.32 2aqc s SER 37 Cb -0.29 -1.06 0.91 0.00 0.21 0.00 0.00 66.02 65.78 2aqc s SER 37 CO 0.29 -0.25 1.90 -0.07 0.41 0.00 0.00 173.24 175.52 2aqc h LEU 38 N 8.01 0.00 0.00 2.44 -0.00 -2.06 -3.25 115.31 120.45 2aqc h LEU 38 Ca -0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.50 2aqc h LEU 38 Cb 1.08 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.70 2aqc h LEU 38 CO 0.40 0.28 -1.77 -0.62 -0.00 0.00 0.00 178.44 176.73 2aqc n GLU 39 N -4.03 1.59 -3.91 1.13 1.02 -1.26 -5.02 120.64 110.15 2aqc n GLU 39 Ca -0.02 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 2aqc n GLU 39 Cb 0.35 -1.28 0.03 0.00 -0.02 0.00 0.00 31.44 30.51 2aqc n GLU 39 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2aqc n ASP 40 N -2.58 -4.61 -0.24 1.62 2.03 -1.23 -4.86 116.55 106.68 2aqc n ASP 40 Ca -0.20 -0.78 -0.05 0.00 0.52 0.00 0.00 54.79 54.27 2aqc n ASP 40 Cb 0.83 -3.88 0.05 0.00 -0.72 0.00 0.00 41.12 37.40 2aqc n ASP 40 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2aqc h ARG 41 N -2.08 0.88 -0.46 -0.67 0.11 -1.95 -2.37 114.38 107.84 2aqc h ARG 41 Ca -0.58 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 59.44 2aqc h ARG 41 Cb 1.38 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2aqc h ARG 41 CO 0.67 0.58 0.00 0.91 0.10 0.00 0.00 179.97 182.24 2aqc n TRP 42 N -4.62 1.68 -0.14 4.08 5.03 -1.26 -4.59 117.44 117.62 2aqc n TRP 42 Ca 0.05 -0.80 0.26 0.00 3.03 0.00 0.00 57.50 60.05 2aqc n TRP 42 Cb 0.02 -0.45 0.70 0.00 -1.03 0.00 0.00 31.31 30.55 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 3.17 0.07 1.19 6.99 0.00 -1.79 0.10 103.07 112.81 2aqc h GLY 43 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 2aqc h GLY 43 CO 0.40 -0.00 -1.52 0.50 0.00 0.00 0.00 176.54 175.92 2aqc h LYS 44 N 0.03 0.00 -0.79 4.80 1.57 -1.81 -3.34 116.57 117.03 2aqc h LYS 44 Ca 0.39 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.38 2aqc h LYS 44 Cb 1.49 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.77 2aqc h LYS 44 CO -0.02 0.57 0.55 -0.92 -0.57 0.00 0.00 179.45 179.06 2aqc h TYR 45 N 0.00 0.13 0.34 -1.35 5.03 -1.11 -1.88 116.97 118.13 2aqc h TYR 45 Ca -0.22 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.08 2aqc h TYR 45 Cb 1.91 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 40.15 2aqc h TYR 45 CO 0.00 0.04 -0.21 0.00 -1.32 0.00 0.00 178.16 176.67 2aqc h ARG 46 N 0.10 -0.50 -0.97 1.82 -0.00 -1.66 -0.53 114.38 112.64 2aqc h ARG 46 Ca 0.38 0.03 0.11 0.00 -0.50 0.00 0.00 59.98 60.01 2aqc h ARG 46 Cb 1.36 0.11 -0.08 0.00 0.00 0.00 0.00 29.97 31.37 2aqc h ARG 46 CO -0.04 -0.33 0.62 -0.09 0.00 0.00 0.00 179.97 180.12 2aqc h ARG 47 N -0.52 0.92 0.00 0.04 2.43 -1.68 0.16 114.38 115.73 2aqc h ARG 47 Ca -0.05 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2aqc h ARG 47 Cb 0.42 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2aqc h ARG 47 CO 0.05 0.61 -0.07 0.52 -1.51 0.00 0.00 179.97 179.56 2aqc h MET 48 N 0.95 0.00 0.00 0.20 2.86 -1.18 -0.93 114.93 116.83 2aqc h MET 48 Ca 0.47 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 2aqc h MET 48 Cb 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2aqc h MET 48 CO -0.23 0.07 -0.20 1.25 1.06 0.00 0.00 176.91 178.86 2aqc h LEU 49 N 0.00 0.00 -7.16 1.22 6.46 0.10 -3.42 115.31 112.52 2aqc h LEU 49 Ca -0.00 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.21 2aqc h LEU 49 Cb 0.20 0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 39.73 2aqc h LEU 49 CO 0.01 0.07 -0.76 -1.59 -0.62 0.00 0.00 178.44 175.55 2aqc s LYS 50 N -3.19 0.61 -0.05 1.25 -2.85 -0.35 -4.95 119.74 110.21 2aqc s LYS 50 Ca 0.06 -0.69 0.07 0.00 -1.00 0.00 0.00 55.97 54.40 2aqc s LYS 50 Cb 0.06 -1.93 -0.10 0.00 -2.06 0.00 0.00 37.83 33.81 2aqc s LYS 50 CO 0.70 -0.83 0.07 2.89 0.10 0.00 0.00 175.35 178.28 2aqc n ARG 51 N 5.00 2.01 -0.08 1.78 1.85 -1.25 -4.72 116.66 121.25 2aqc n ARG 51 Ca -0.06 -0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 56.68 2aqc n ARG 51 Cb 0.44 -1.18 -0.03 0.00 -1.05 0.00 0.00 32.46 30.64 2aqc n ARG 51 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2aqc n ALA 52 N -2.10 0.61 -2.21 2.89 0.00 -1.26 -4.87 120.51 113.57 2aqc n ALA 52 Ca -0.08 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.39 2aqc n ALA 52 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 2aqc n ALA 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2aqc s LEU 53 N -8.08 4.20 -0.04 0.00 2.96 -1.26 -5.01 118.68 111.45 2aqc s LEU 53 Ca -0.21 1.90 0.06 0.00 -0.22 0.00 0.00 54.13 55.66 2aqc s LEU 53 Cb 0.04 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 2aqc s LEU 53 CO 0.32 -0.90 -0.22 -0.54 -1.32 0.00 0.00 176.35 173.69 2aqc s LYS 54 N 3.89 2.07 -0.32 1.98 1.02 -1.26 -4.91 119.74 122.21 2aqc s LYS 54 Ca 0.65 -0.78 -0.24 0.00 0.02 0.00 0.00 55.97 55.62 2aqc s LYS 54 Cb -0.27 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2aqc s LYS 54 CO 0.23 0.38 0.80 -0.80 -0.92 0.00 0.00 175.35 175.03 2aqc s ASN 55 N -0.24 6.65 0.64 2.83 0.01 -1.26 -5.05 114.94 118.52 2aqc s ASN 55 Ca 0.01 0.62 -0.06 0.00 -0.71 0.00 0.00 52.86 52.72 2aqc s ASN 55 Cb -0.11 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.17 2aqc s ASN 55 CO 0.02 -0.64 0.95 -0.54 -1.51 0.00 0.00 177.10 175.37 2aqc s LYS 56 N 3.00 2.62 -0.31 -0.60 1.02 -1.26 -5.04 119.74 119.17 2aqc s LYS 56 Ca 0.33 -0.12 -0.21 0.00 0.02 0.00 0.00 55.97 55.99 2aqc s LYS 56 Cb -0.14 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 2aqc s LYS 56 CO 0.13 -0.93 0.66 0.54 -0.92 0.00 0.00 175.35 174.84 2aqc s ASN 57 N -4.40 6.53 0.75 2.83 2.20 -1.26 -5.06 114.94 116.53 2aqc s ASN 57 Ca 0.57 0.46 -0.05 0.00 -0.94 0.00 0.00 52.86 52.90 2aqc s ASN 57 Cb -0.11 -2.34 0.11 0.00 -2.00 0.00 0.00 41.25 36.91 2aqc s ASN 57 CO 0.45 -0.51 1.04 -0.54 -2.94 0.00 0.00 177.10 174.60 2aqc s LYS 58 N 2.68 1.70 -0.09 3.55 3.01 -1.26 -5.06 119.74 124.27 2aqc s LYS 58 Ca 0.27 -0.73 -0.01 0.00 -1.01 0.00 0.00 55.97 54.49 2aqc s LYS 58 Cb -0.15 -2.21 -0.00 0.00 -1.01 0.00 0.00 37.83 34.46 2aqc s LYS 58 CO 0.12 -1.50 -0.01 0.00 0.51 0.00 0.00 175.35 174.46 2aqc h ALA 59 N -0.70 0.00 -0.02 5.17 0.00 -2.02 -3.47 119.26 118.23 2aqc h ALA 59 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2aqc h ALA 59 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2aqc h ALA 59 CO 0.46 0.03 0.00 -1.91 0.00 0.00 0.00 179.25 177.83