#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 0.04 0.29 1.61 0.01 -1.26 -5.04 113.70 109.36 2aqc s SER -1 Ca 0.00 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2aqc s SER -1 Cb 0.00 -0.03 0.62 0.00 0.21 0.00 0.00 66.02 66.82 2aqc s SER -1 CO 0.00 -0.04 1.82 -0.74 0.41 0.00 0.00 173.24 174.68 2aqc h HIS 0 N 6.54 1.12 -3.86 2.43 -0.00 -2.10 -3.41 115.15 115.87 2aqc h HIS 0 Ca -0.32 0.03 -0.48 0.00 -0.00 0.00 0.00 60.37 59.61 2aqc h HIS 0 Cb 1.18 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 2aqc h HIS 0 CO 0.44 0.38 0.19 1.41 -0.00 0.00 0.00 177.93 180.36 2aqc s MET 1 N -5.92 4.00 0.50 5.26 -2.45 -1.26 -5.03 119.30 114.40 2aqc s MET 1 Ca -0.12 0.76 -0.23 0.00 -1.25 0.00 0.00 55.69 54.85 2aqc s MET 1 Cb 0.23 -2.33 -0.06 0.00 1.25 0.00 0.00 34.83 33.92 2aqc s MET 1 CO 0.81 0.02 1.38 0.54 1.05 0.00 0.00 175.02 178.81 2aqc s VAL 2 N -2.20 2.11 -0.45 10.11 0.11 -1.26 -4.94 120.40 123.88 2aqc s VAL 2 Ca 0.56 0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 59.45 2aqc s VAL 2 Cb -0.10 -3.05 0.03 0.00 -1.53 0.00 0.00 36.38 31.73 2aqc s VAL 2 CO 0.21 0.01 0.88 -1.61 -3.33 0.00 0.00 175.10 171.26 2aqc s GLU 3 N -2.69 3.52 0.07 1.54 8.01 -1.26 -4.89 118.70 123.00 2aqc s GLU 3 Ca 0.66 0.12 0.12 0.00 0.01 0.00 0.00 54.97 55.88 2aqc s GLU 3 Cb -0.41 -3.92 -0.17 0.00 -4.31 0.00 0.00 34.13 25.31 2aqc s GLU 3 CO 0.51 -1.17 0.99 0.00 0.01 0.00 0.00 175.26 175.60 2aqc h MET 4 N 9.00 0.00 -1.51 1.61 -0.00 -2.04 -3.48 114.93 118.50 2aqc h MET 4 Ca -0.24 0.00 0.25 0.00 -0.00 0.00 0.00 59.70 59.71 2aqc h MET 4 Cb 1.08 0.00 -0.19 0.00 -0.00 0.00 0.00 31.60 32.49 2aqc h MET 4 CO 1.00 0.63 0.80 -0.98 -0.00 0.00 0.00 176.91 178.36 2aqc s ARG 5 N -2.73 0.33 0.00 -0.10 1.04 -1.26 -5.19 118.95 111.03 2aqc s ARG 5 Ca -0.01 -0.12 0.00 0.00 -1.04 0.00 0.00 55.73 54.56 2aqc s ARG 5 Cb 0.09 0.15 0.00 0.00 -2.04 0.00 0.00 34.95 33.15 2aqc s ARG 5 CO 0.81 -0.14 0.00 0.00 -0.04 0.00 0.00 175.30 175.93 2aqc n MET 6 N -0.10 0.00 -4.45 3.89 0.00 -1.26 -5.00 117.12 110.19 2aqc n MET 6 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.48 2aqc n MET 6 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.70 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 -1.85 1.67 0.02 3.17 -2.85 -0.56 -4.62 119.74 114.71 2aqc s LYS 7 Ca 0.00 -1.93 -0.00 0.00 -1.00 0.00 0.00 55.97 53.04 2aqc s LYS 7 Cb 0.00 -0.84 -0.02 0.00 -2.06 0.00 0.00 37.83 34.91 2aqc s LYS 7 CO 0.00 -0.21 -0.03 0.21 0.10 0.00 0.00 175.35 175.42 2aqc s LYS 8 N -3.88 0.30 -0.22 1.78 2.20 0.65 -0.93 119.74 119.64 2aqc s LYS 8 Ca 0.35 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 2aqc s LYS 8 Cb 0.08 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2aqc s LYS 8 CO 0.15 -0.05 1.45 0.00 -0.36 0.00 0.00 175.35 176.54 2aqc n PRO 10 N 7.29 0.22 -0.10 0.00 -0.04 -1.26 0.09 135.00 141.19 2aqc n PRO 10 Ca 0.16 0.14 -0.23 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 32.30 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 -1.28 0.64 -0.05 0.54 4.01 -1.26 -4.82 118.16 115.93 2aqc n LYS 11 Ca 0.07 0.32 -0.10 0.00 -0.51 0.00 0.00 58.31 58.09 2aqc n LYS 11 Cb 0.12 -1.61 -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 2.13 1.94 3.75 0.00 0.00 0.11 -5.01 105.19 108.11 2aqc n GLY 13 Ca -0.18 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 4.30 0.26 0.99 2.96 -1.26 -4.73 118.68 121.21 2aqc s LEU 14 Ca 0.00 0.73 -0.22 0.00 -0.22 0.00 0.00 54.13 54.42 2aqc s LEU 14 Cb 0.00 -2.55 -0.09 0.00 0.50 0.00 0.00 46.19 44.05 2aqc s LEU 14 CO 0.00 0.10 0.81 -0.31 -1.32 0.00 0.00 176.35 175.64 2aqc s TYR 15 N 0.22 3.66 0.01 5.38 2.02 -1.26 -1.25 117.35 126.14 2aqc s TYR 15 Ca 0.22 1.54 -0.27 0.00 -0.37 0.00 0.00 57.07 58.19 2aqc s TYR 15 Cb -0.15 -2.74 0.09 0.00 -0.40 0.00 0.00 41.96 38.77 2aqc s TYR 15 CO 0.08 0.28 1.25 -0.08 -1.57 0.00 0.00 175.55 175.51 2aqc s THR 16 N -1.57 0.00 0.00 -0.71 -1.32 -0.10 -4.98 115.64 106.95 2aqc s THR 16 Ca 0.46 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 2aqc s THR 16 Cb -0.17 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 2aqc s THR 16 CO 0.22 0.00 0.41 0.18 -2.21 0.00 0.00 174.62 173.22 2aqc n LEU 17 N -0.88 0.67 0.00 9.08 4.77 -1.26 -1.50 117.00 127.88 2aqc n LEU 17 Ca 0.03 -0.67 0.15 0.00 -0.03 0.00 0.00 56.01 55.48 2aqc n LEU 17 Cb 0.59 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.48 2aqc n LEU 17 CO 0.16 0.17 1.03 0.29 -1.33 0.00 0.00 177.39 177.71 2aqc n LYS 18 N -0.08 0.64 -0.96 3.23 4.76 -1.26 -4.86 118.16 119.63 2aqc n LYS 18 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2aqc n LYS 18 Cb 0.20 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.16 -1.40 -3.77 1.97 1.02 -1.26 -4.93 120.64 111.11 2aqc n GLU 19 Ca 0.18 0.35 -0.13 0.00 -0.02 0.00 0.00 57.16 57.54 2aqc n GLU 19 Cb 0.18 -4.51 -0.13 0.00 -0.02 0.00 0.00 31.44 26.96 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 -1.27 -0.03 -0.31 -3.67 -1.09 -1.26 -1.60 121.20 111.98 2aqc s ILE 20 Ca 0.00 0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 2aqc s ILE 20 Cb 0.00 -0.29 0.00 0.00 -1.58 0.00 0.00 42.46 40.59 2aqc s ILE 20 CO 0.00 0.04 1.34 0.00 -1.23 0.00 0.00 174.94 175.09 2aqc n PRO 22 N 7.45 0.17 -0.06 0.00 -0.04 -1.26 0.43 135.00 141.69 2aqc n PRO 22 Ca 0.15 0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 2aqc n PRO 22 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 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 -2.28 0.00 -3.45 0.00 0.00 179.45 173.72 2aqc n GLY 25 N 2.36 1.03 3.58 0.00 0.00 0.17 -5.04 105.19 107.29 2aqc n GLY 25 Ca -0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2aqc n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aqc n GLU 26 N 0.00 1.23 -1.99 1.61 4.07 -1.26 -3.89 120.64 120.41 2aqc n GLU 26 Ca 0.00 0.44 -0.38 0.00 -0.06 0.00 0.00 57.16 57.15 2aqc n GLU 26 Cb 0.00 -1.89 0.01 0.00 -0.06 0.00 0.00 31.44 29.50 2aqc n GLU 26 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2aqc s LYS 27 N -1.80 3.58 0.35 5.31 1.02 -1.26 -0.13 119.74 126.81 2aqc s LYS 27 Ca 0.62 2.10 -0.07 0.00 0.02 0.00 0.00 55.97 58.64 2aqc s LYS 27 Cb -0.61 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2aqc s LYS 27 CO 0.58 -0.80 0.66 0.95 -0.92 0.00 0.00 175.35 175.83 2aqc s THR 28 N -1.35 4.91 0.06 2.17 -4.23 -0.63 -4.55 115.64 112.03 2aqc s THR 28 Ca 0.64 0.30 0.04 0.00 -1.18 0.00 0.00 61.69 61.49 2aqc s THR 28 Cb -0.37 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.70 2aqc s THR 28 CO 0.45 -0.45 -0.11 0.68 -0.54 0.00 0.00 174.62 174.65 2aqc s VAL 29 N -2.26 0.87 -0.19 2.29 -7.23 0.91 -4.81 120.40 109.97 2aqc s VAL 29 Ca 0.47 -1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 59.09 2aqc s VAL 29 Cb -0.10 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 2aqc s VAL 29 CO 0.32 -0.33 2.01 -0.63 -0.31 0.00 0.00 175.10 176.16 2aqc s ILE 30 N -1.48 3.20 -0.31 -0.62 -1.09 -1.26 -0.25 121.20 119.38 2aqc s ILE 30 Ca -0.04 0.21 -0.29 0.00 -2.23 0.00 0.00 60.65 58.30 2aqc s ILE 30 Cb -0.09 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.55 2aqc s ILE 30 CO 0.01 -0.12 1.67 -2.16 -1.23 0.00 0.00 174.94 173.12 2aqc s PRO 31 N 5.64 3.52 0.93 2.79 0.04 -1.26 -4.91 135.00 141.75 2aqc s PRO 31 Ca 0.90 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 2aqc s PRO 31 Cb -0.32 -4.12 0.09 0.00 0.04 0.00 0.00 34.50 30.20 2aqc s PRO 31 CO 0.35 -1.63 0.77 1.63 0.04 0.00 0.00 177.00 178.16 2aqc n LYS 32 N 8.13 -0.36 -1.18 4.56 5.02 -1.26 -4.98 118.16 128.09 2aqc n LYS 32 Ca 0.20 -0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 2aqc n LYS 32 Cb 0.46 -2.11 0.16 0.00 -0.02 0.00 0.00 35.03 33.53 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 -4.11 0.74 0.09 1.97 0.04 -1.26 -4.99 135.00 127.49 2aqc s PRO 33 Ca 0.62 0.64 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 2aqc s PRO 33 Cb -0.22 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2aqc s PRO 33 CO 0.63 -2.55 1.41 -1.00 0.04 0.00 0.00 177.00 175.53 2aqc h PRO 34 N -1.77 0.67 0.00 0.56 0.13 -1.88 -3.49 132.00 126.23 2aqc h PRO 34 Ca -0.53 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 2aqc h PRO 34 Cb 1.31 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2aqc h PRO 34 CO 0.56 0.96 0.00 1.17 -0.23 0.00 0.00 178.00 180.47 2aqc n LYS 35 N -4.29 0.01 -0.03 0.86 4.81 -1.26 -5.01 118.16 113.25 2aqc n LYS 35 Ca -0.04 -0.02 0.22 0.00 -0.87 0.00 0.00 58.31 57.61 2aqc n LYS 35 Cb 0.46 0.02 0.71 0.00 0.02 0.00 0.00 35.03 36.24 2aqc n LYS 35 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 2aqc h PHE 36 N 1.01 0.00 -1.01 5.64 3.57 -2.02 -3.42 116.94 120.71 2aqc h PHE 36 Ca -0.00 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.02 2aqc h PHE 36 Cb 0.01 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.76 2aqc h PHE 36 CO 0.00 0.00 -0.19 -1.12 -2.23 0.00 0.00 178.31 174.77 2aqc s SER 37 N -5.93 5.20 0.06 0.41 0.01 -1.26 -5.04 113.70 107.15 2aqc s SER 37 Ca -0.05 -0.77 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 2aqc s SER 37 Cb 0.19 -0.03 -0.30 0.00 0.21 0.00 0.00 66.02 66.10 2aqc s SER 37 CO 0.71 -1.09 1.08 -0.07 0.41 0.00 0.00 173.24 174.28 2aqc h LEU 38 N 0.45 0.51 -7.13 2.44 3.38 -2.02 -3.42 115.31 109.51 2aqc h LEU 38 Ca -0.34 -0.56 -0.23 0.00 0.09 0.00 0.00 57.88 56.83 2aqc h LEU 38 Cb 1.29 -0.17 -0.33 0.00 0.09 0.00 0.00 40.66 41.54 2aqc h LEU 38 CO 0.45 1.44 -0.55 -1.83 0.09 0.00 0.00 178.44 178.04 2aqc s GLU 39 N -2.64 0.15 -0.20 1.13 -1.05 -1.26 -4.82 118.70 110.01 2aqc s GLU 39 Ca -0.06 0.66 0.15 0.00 -0.15 0.00 0.00 54.97 55.57 2aqc s GLU 39 Cb 0.06 -0.22 0.51 0.00 -0.44 0.00 0.00 34.13 34.05 2aqc s GLU 39 CO 0.89 -0.35 1.42 -0.40 0.95 0.00 0.00 175.26 177.77 2aqc n ASP 40 N 5.35 3.50 0.07 0.83 5.68 -1.26 -4.36 116.55 126.34 2aqc n ASP 40 Ca -0.06 -3.18 -0.03 0.00 -0.50 0.00 0.00 54.79 51.02 2aqc n ASP 40 Cb 0.50 -0.56 -0.01 0.00 -1.14 0.00 0.00 41.12 39.91 2aqc n ASP 40 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2aqc h ARG 41 N 1.50 -0.18 0.00 0.11 2.47 -2.01 -3.40 114.38 112.87 2aqc h ARG 41 Ca 0.05 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 2aqc h ARG 41 Cb 1.47 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.82 2aqc h ARG 41 CO 0.25 -0.12 -1.84 0.91 0.56 0.00 0.00 179.97 179.74 2aqc n TRP 42 N -2.74 0.00 0.00 3.04 7.02 -1.26 -5.02 117.44 118.48 2aqc n TRP 42 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2aqc n TRP 42 Cb 0.07 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 28.51 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 1.59 1.23 0.44 6.99 0.00 -1.26 -3.76 105.19 110.42 2aqc n GLY 43 Ca -0.06 0.39 0.26 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 -0.29 1.61 2.10 -1.95 0.24 116.57 118.28 2aqc h LYS 44 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 2aqc h LYS 44 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2aqc h LYS 44 CO 0.00 0.00 0.22 -0.92 -2.00 0.00 0.00 179.45 176.75 2aqc h TYR 45 N 0.00 0.00 -0.84 0.07 3.20 -1.99 -0.98 116.97 116.43 2aqc h TYR 45 Ca 0.37 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.46 2aqc h TYR 45 Cb 1.49 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.72 2aqc h TYR 45 CO 0.00 0.00 0.59 0.07 -1.64 0.00 0.00 178.16 177.18 2aqc h ARG 46 N 0.00 0.14 0.03 1.82 -0.00 -0.84 -2.62 114.38 112.91 2aqc h ARG 46 Ca 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.11 2aqc h ARG 46 Cb 0.57 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.50 2aqc h ARG 46 CO -0.00 0.09 -0.10 -0.09 -0.00 0.00 0.00 179.97 179.87 2aqc h ARG 47 N 0.15 -0.14 -0.45 0.08 2.43 -1.35 -1.15 114.38 113.94 2aqc h ARG 47 Ca 0.42 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.73 2aqc h ARG 47 Cb 1.41 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 2aqc h ARG 47 CO -0.07 -0.09 0.40 1.98 -1.51 0.00 0.00 179.97 180.68 2aqc h MET 48 N -0.15 0.00 -0.11 0.20 4.05 -1.67 0.19 114.93 117.44 2aqc h MET 48 Ca -0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 2aqc h MET 48 Cb 0.14 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2aqc h MET 48 CO -0.05 0.00 -0.14 1.25 0.23 0.00 0.00 176.91 178.20 2aqc h LEU 49 N 0.00 0.16 -1.30 3.39 7.12 -0.97 -3.46 115.31 120.25 2aqc h LEU 49 Ca 0.22 -0.03 -0.47 0.00 0.13 0.00 0.00 57.88 57.72 2aqc h LEU 49 Cb 1.01 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.06 2aqc h LEU 49 CO -0.00 0.33 -0.80 0.29 -0.13 0.00 0.00 178.44 178.12 2aqc n LYS 50 N -4.29 -4.84 -2.77 1.25 4.76 0.66 -4.92 118.16 108.02 2aqc n LYS 50 Ca -0.01 0.55 -0.42 0.00 -2.87 0.00 0.00 58.31 55.57 2aqc n LYS 50 Cb 0.26 -5.25 -0.03 0.00 -1.84 0.00 0.00 35.03 28.16 2aqc n LYS 50 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2aqc s ARG 51 N -6.50 4.55 -1.59 1.97 6.06 -1.26 -3.57 118.95 118.61 2aqc s ARG 51 Ca 0.44 1.33 -0.04 0.00 -2.50 0.00 0.00 55.73 54.95 2aqc s ARG 51 Cb -0.22 -3.45 0.00 0.00 0.06 0.00 0.00 34.95 31.34 2aqc s ARG 51 CO 0.85 -0.01 0.57 0.00 -2.50 0.00 0.00 175.30 174.20 2aqc n ALA 52 N 3.81 -0.95 0.04 6.12 0.00 -1.26 -4.89 120.51 123.38 2aqc n ALA 52 Ca 0.05 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.65 2aqc n ALA 52 Cb 0.51 -3.80 -0.13 0.00 0.00 0.00 0.00 19.45 16.03 2aqc n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2aqc h LEU 53 N -1.30 0.17 0.00 0.00 7.12 -1.96 -3.38 115.31 115.96 2aqc h LEU 53 Ca -0.53 -0.23 -0.30 0.00 0.13 0.00 0.00 57.88 56.95 2aqc h LEU 53 Cb 1.37 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.39 2aqc h LEU 53 CO 0.57 1.19 -2.14 0.29 -0.13 0.00 0.00 178.44 178.22 2aqc n LYS 54 N -3.33 1.17 -3.69 1.25 4.76 -1.26 -5.02 118.16 112.05 2aqc n LYS 54 Ca -0.11 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.13 2aqc n LYS 54 Cb 1.01 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.75 2aqc n LYS 54 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2aqc s ASN 55 N -5.21 4.87 -0.18 4.39 0.01 -1.26 -5.13 114.94 112.44 2aqc s ASN 55 Ca -0.12 -0.91 -0.00 0.00 -0.71 0.00 0.00 52.86 51.12 2aqc s ASN 55 Cb 0.05 -0.30 0.04 0.00 0.41 0.00 0.00 41.25 41.46 2aqc s ASN 55 CO 0.64 -0.77 -0.05 -0.54 -1.51 0.00 0.00 177.10 174.87 2aqc s LYS 56 N -4.16 1.47 -0.43 -0.60 -0.14 -1.26 -4.62 119.74 110.01 2aqc s LYS 56 Ca 0.45 -0.59 -0.21 0.00 -1.36 0.00 0.00 55.97 54.26 2aqc s LYS 56 Cb -0.02 -2.11 0.02 0.00 -1.68 0.00 0.00 37.83 34.04 2aqc s LYS 56 CO 0.26 -0.46 0.64 -0.80 -0.76 0.00 0.00 175.35 174.23 2aqc s ASN 57 N 1.60 6.33 0.00 2.83 -0.87 -1.26 -5.03 114.94 118.54 2aqc s ASN 57 Ca -0.00 -0.29 -0.00 0.00 -1.57 0.00 0.00 52.86 50.99 2aqc s ASN 57 Cb -0.16 -2.32 -0.00 0.00 -0.02 0.00 0.00 41.25 38.75 2aqc s ASN 57 CO -0.08 -0.75 0.01 -0.75 -2.57 0.00 0.00 177.10 172.96 2aqc s LYS 58 N 2.79 0.08 0.11 -0.60 2.20 -1.26 -5.05 119.74 118.02 2aqc s LYS 58 Ca 0.23 -0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.58 2aqc s LYS 58 Cb -0.14 0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.14 2aqc s LYS 58 CO 0.18 -0.01 1.45 0.00 -0.36 0.00 0.00 175.35 176.61 2aqc h ALA 59 N 5.80 0.48 -0.03 3.13 0.00 -2.08 -3.57 119.26 122.99 2aqc h ALA 59 Ca -0.26 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2aqc h ALA 59 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2aqc h ALA 59 CO 0.48 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.63