#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 -0.43 -0.42 1.61 0.15 -1.26 -5.13 113.70 108.22 2aqc s SER -1 Ca 0.00 0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.57 2aqc s SER -1 Cb 0.00 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2aqc s SER -1 CO 0.00 -0.62 0.82 -1.00 1.20 0.00 0.00 173.24 173.64 2aqc s HIS 0 N -2.62 3.02 -0.09 3.44 4.02 -1.26 -4.89 115.29 116.91 2aqc s HIS 0 Ca 0.01 0.38 0.14 0.00 1.02 0.00 0.00 55.06 56.61 2aqc s HIS 0 Cb -0.01 -3.64 -0.12 0.00 -1.02 0.00 0.00 32.58 27.80 2aqc s HIS 0 CO -0.05 -0.91 0.99 0.52 1.02 0.00 0.00 174.74 176.30 2aqc h MET 1 N 8.80 0.00 -6.62 1.40 0.00 -2.00 -3.43 114.93 113.08 2aqc h MET 1 Ca -0.24 0.00 -0.53 0.00 0.00 0.00 0.00 59.70 58.93 2aqc h MET 1 Cb 1.09 0.00 0.03 0.00 0.00 0.00 0.00 31.60 32.71 2aqc h MET 1 CO 0.96 0.46 0.66 0.54 0.00 0.00 0.00 176.91 179.52 2aqc s VAL 2 N -2.85 3.34 -1.18 -2.22 0.11 -1.26 -3.49 120.40 112.85 2aqc s VAL 2 Ca -0.01 1.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.95 2aqc s VAL 2 Cb 0.08 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2aqc s VAL 2 CO 0.80 0.13 0.77 -0.62 -3.33 0.00 0.00 175.10 172.84 2aqc n GLU 3 N 3.11 -2.18 -4.36 1.54 1.02 -1.26 -4.99 120.64 113.52 2aqc n GLU 3 Ca 0.08 0.54 -0.26 0.00 -0.02 0.00 0.00 57.16 57.50 2aqc n GLU 3 Cb 0.43 -4.60 -0.17 0.00 -0.02 0.00 0.00 31.44 27.09 2aqc n GLU 3 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2aqc s MET 4 N -5.79 1.77 0.86 3.49 1.75 -1.23 -5.13 119.30 115.02 2aqc s MET 4 Ca 0.35 -0.40 -0.13 0.00 -1.25 0.00 0.00 55.69 54.26 2aqc s MET 4 Cb -0.11 -1.56 0.07 0.00 2.84 0.00 0.00 34.83 36.07 2aqc s MET 4 CO 0.84 -0.08 0.92 2.89 -0.65 0.00 0.00 175.02 178.94 2aqc n ARG 5 N 4.22 -0.06 -3.60 4.11 -4.01 -1.26 -5.03 116.66 111.03 2aqc n ARG 5 Ca -0.19 0.05 -0.04 0.00 -1.04 0.00 0.00 57.85 56.62 2aqc n ARG 5 Cb 0.51 -2.21 -0.02 0.00 -3.04 0.00 0.00 32.46 27.69 2aqc n ARG 5 CO 0.00 0.00 0.00 1.41 -3.04 0.00 0.00 177.63 176.00 2aqc s MET 6 N -3.96 0.30 0.36 2.89 1.75 -1.26 -4.99 119.30 114.40 2aqc s MET 6 Ca 0.67 -0.10 0.03 0.00 -1.25 0.00 0.00 55.69 55.05 2aqc s MET 6 Cb -0.27 0.14 -0.05 0.00 2.84 0.00 0.00 34.83 37.50 2aqc s MET 6 CO 0.57 -0.13 0.08 -1.59 -0.65 0.00 0.00 175.02 173.31 2aqc s LYS 7 N -2.30 1.76 0.00 4.11 -2.85 -0.72 -4.70 119.74 115.04 2aqc s LYS 7 Ca 0.09 -2.02 -0.05 0.00 -1.00 0.00 0.00 55.97 52.99 2aqc s LYS 7 Cb -0.01 -0.76 -0.00 0.00 -2.06 0.00 0.00 37.83 35.00 2aqc s LYS 7 CO -0.05 -0.31 0.10 0.21 0.10 0.00 0.00 175.35 175.40 2aqc s LYS 8 N -3.84 0.42 -0.19 1.78 2.20 0.32 -1.19 119.74 119.24 2aqc s LYS 8 Ca 0.31 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.21 2aqc s LYS 8 Cb 0.06 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.53 2aqc s LYS 8 CO 0.15 -0.09 1.46 0.00 -0.36 0.00 0.00 175.35 176.50 2aqc n PRO 10 N 7.22 0.21 -0.10 0.00 -0.04 -1.26 0.14 135.00 141.17 2aqc n PRO 10 Ca 0.16 0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 63.54 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 -1.29 0.64 -0.05 0.54 4.01 -1.26 -4.82 118.16 115.93 2aqc n LYS 11 Ca 0.07 0.30 -0.10 0.00 -0.51 0.00 0.00 58.31 58.07 2aqc n LYS 11 Cb 0.12 -1.60 -0.03 0.00 -0.51 0.00 0.00 35.03 33.00 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 2.19 1.53 3.72 0.00 0.00 0.12 -5.00 105.19 107.75 2aqc n GLY 13 Ca -0.17 0.00 -0.36 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 4.21 0.30 0.99 2.96 -1.26 -4.75 118.68 121.14 2aqc s LEU 14 Ca 0.00 0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 54.01 2aqc s LEU 14 Cb 0.00 -2.21 -0.09 0.00 0.50 0.00 0.00 46.19 44.38 2aqc s LEU 14 CO 0.00 0.13 0.87 -0.31 -1.32 0.00 0.00 176.35 175.72 2aqc s TYR 15 N 0.48 3.65 -0.00 5.38 1.51 -1.26 -1.52 117.35 125.59 2aqc s TYR 15 Ca 0.12 1.64 -0.27 0.00 -1.01 0.00 0.00 57.07 57.54 2aqc s TYR 15 Cb -0.12 -2.82 0.09 0.00 -0.11 0.00 0.00 41.96 39.00 2aqc s TYR 15 CO 0.01 0.23 1.24 -2.37 -1.11 0.00 0.00 175.55 173.54 2aqc n THR 16 N 0.52 0.00 -0.43 -0.71 5.66 -0.33 -4.98 114.28 114.00 2aqc n THR 16 Ca 0.01 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2aqc n THR 16 Cb 0.51 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 0.60 0.00 1.09 4.77 -1.26 -1.76 117.00 120.44 2aqc n LEU 17 Ca 0.04 -0.60 0.13 0.00 -0.03 0.00 0.00 56.01 55.55 2aqc n LEU 17 Cb 0.57 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.39 2aqc n LEU 17 CO 0.16 0.15 0.97 0.29 -1.33 0.00 0.00 177.39 177.62 2aqc n LYS 18 N -0.01 0.58 -0.94 3.23 5.02 -1.26 -4.85 118.16 119.93 2aqc n LYS 18 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2aqc n LYS 18 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.17 -1.25 -3.89 1.97 1.02 -1.26 -4.93 120.64 111.12 2aqc n GLU 19 Ca 0.16 0.31 -0.11 0.00 -0.02 0.00 0.00 57.16 57.50 2aqc n GLU 19 Cb 0.16 -4.42 -0.13 0.00 -0.02 0.00 0.00 31.44 27.03 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 -1.33 0.04 -0.43 -3.67 -1.09 -1.26 -1.57 121.20 111.89 2aqc s ILE 20 Ca 0.00 -0.29 -0.23 0.00 -2.23 0.00 0.00 60.65 57.89 2aqc s ILE 20 Cb 0.00 -0.14 0.02 0.00 -1.58 0.00 0.00 42.46 40.76 2aqc s ILE 20 CO 0.00 -0.16 0.81 0.00 -1.23 0.00 0.00 174.94 174.36 2aqc n PRO 22 N 6.70 0.16 -0.06 0.00 -0.04 -1.26 0.65 135.00 141.15 2aqc n PRO 22 Ca 0.03 0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.64 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 3.64 -1.97 -3.43 116.57 115.36 2aqc h LYS 23 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2aqc h LYS 23 Cb 0.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 2aqc h LYS 23 CO 0.00 0.07 -2.15 0.00 -2.27 0.00 0.00 179.45 175.10 2aqc n GLY 25 N 2.36 1.92 3.65 0.00 0.00 0.21 -5.05 105.19 108.27 2aqc n GLY 25 Ca -0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.57 2.94 0.30 1.61 2.56 -1.24 -4.75 118.70 119.55 2aqc s GLU 26 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 54.97 54.24 2aqc s GLU 26 Cb 0.00 -2.74 -0.13 0.00 2.00 0.00 0.00 34.13 33.26 2aqc s GLU 26 CO 0.00 0.67 1.12 1.63 -0.56 0.00 0.00 175.26 178.13 2aqc n LYS 27 N 2.22 1.64 -3.24 4.30 4.01 -1.26 -0.83 118.16 125.00 2aqc n LYS 27 Ca -0.18 0.57 -0.29 0.00 -0.51 0.00 0.00 58.31 57.90 2aqc n LYS 27 Cb 0.53 -2.03 -0.03 0.00 -0.51 0.00 0.00 35.03 32.99 2aqc n LYS 27 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2aqc s THR 28 N -1.03 4.98 0.09 -0.18 -4.23 -0.61 -4.56 115.64 110.10 2aqc s THR 28 Ca 0.58 0.15 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 2aqc s THR 28 Cb -0.66 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.41 2aqc s THR 28 CO 0.60 -0.37 -0.11 0.68 -0.54 0.00 0.00 174.62 174.89 2aqc s VAL 29 N -2.15 0.94 -0.20 2.29 -7.23 0.89 -4.82 120.40 110.13 2aqc s VAL 29 Ca 0.45 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 2aqc s VAL 29 Cb -0.11 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 2aqc s VAL 29 CO 0.30 -0.50 2.02 -0.63 -0.31 0.00 0.00 175.10 175.99 2aqc s ILE 30 N -2.21 3.18 -1.00 -0.62 -1.09 -1.26 -0.52 121.20 117.67 2aqc s ILE 30 Ca 0.03 0.20 0.14 0.00 -2.23 0.00 0.00 60.65 58.79 2aqc s ILE 30 Cb -0.04 -3.22 0.12 0.00 -1.58 0.00 0.00 42.46 37.74 2aqc s ILE 30 CO 0.00 -0.12 1.45 -0.81 -1.23 0.00 0.00 174.94 174.24 2aqc n PRO 31 N 8.36 0.00 -3.35 2.79 -0.04 -1.26 -4.75 135.00 136.74 2aqc n PRO 31 Ca 0.25 0.26 -0.25 0.00 -0.04 0.00 0.00 63.50 63.72 2aqc n PRO 31 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 2aqc n PRO 31 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2aqc s LYS 32 N -3.00 3.51 0.96 0.54 -0.14 -1.26 -5.09 119.74 115.26 2aqc s LYS 32 Ca 0.07 -0.25 -0.12 0.00 -1.36 0.00 0.00 55.97 54.30 2aqc s LYS 32 Cb 0.09 -2.66 0.17 0.00 -1.68 0.00 0.00 37.83 33.75 2aqc s LYS 32 CO 0.26 0.16 1.09 -1.25 -0.76 0.00 0.00 175.35 174.85 2aqc s PRO 33 N -4.16 0.72 0.12 -1.68 0.04 -1.26 -4.98 135.00 123.80 2aqc s PRO 33 Ca 0.41 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 61.95 2aqc s PRO 33 Cb -0.10 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 2aqc s PRO 33 CO 0.35 -2.56 1.45 -1.00 0.04 0.00 0.00 177.00 175.28 2aqc h PRO 34 N -1.77 0.84 -0.39 0.56 0.13 -1.98 -3.04 132.00 126.35 2aqc h PRO 34 Ca -0.53 -0.45 0.10 0.00 -0.87 0.00 0.00 66.00 64.26 2aqc h PRO 34 Cb 1.31 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2aqc h PRO 34 CO 0.56 1.09 0.27 0.87 -0.23 0.00 0.00 178.00 180.57 2aqc h LYS 35 N 0.63 0.05 -5.56 0.86 1.57 -2.00 -3.40 116.57 108.72 2aqc h LYS 35 Ca 0.05 -0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 2aqc h LYS 35 Cb 0.94 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2aqc h LYS 35 CO 0.09 0.03 1.61 0.34 -0.57 0.00 0.00 179.45 180.95 2aqc n PHE 36 N -4.44 1.27 -4.01 -1.35 7.35 -1.15 -4.87 117.46 110.26 2aqc n PHE 36 Ca 0.06 0.21 -0.10 0.00 -0.76 0.00 0.00 57.45 56.87 2aqc n PHE 36 Cb 0.43 -2.55 -0.07 0.00 0.35 0.00 0.00 39.48 37.64 2aqc n PHE 36 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2aqc s SER 37 N 10.06 0.00 0.57 -2.13 0.01 -1.26 -4.99 113.70 115.96 2aqc s SER 37 Ca 1.11 -0.97 0.28 0.00 1.31 0.00 0.00 55.95 57.67 2aqc s SER 37 Cb -0.63 0.49 1.51 0.00 0.21 0.00 0.00 66.02 67.60 2aqc s SER 37 CO 0.38 -0.98 2.00 0.17 0.41 0.00 0.00 173.24 175.21 2aqc h LEU 38 N 2.44 0.00 -8.02 2.44 -0.00 -2.00 -3.40 115.31 106.77 2aqc h LEU 38 Ca -0.30 0.00 -0.42 0.00 -0.00 0.00 0.00 57.88 57.16 2aqc h LEU 38 Cb 1.24 0.00 -0.30 0.00 -0.00 0.00 0.00 40.66 41.60 2aqc h LEU 38 CO 0.44 0.00 -0.79 -1.83 -0.00 0.00 0.00 178.44 176.26 2aqc s GLU 39 N -4.76 0.88 -0.03 0.17 -1.05 -1.26 -5.14 118.70 107.51 2aqc s GLU 39 Ca -0.05 -0.33 -0.01 0.00 -0.15 0.00 0.00 54.97 54.43 2aqc s GLU 39 Cb 0.17 -0.84 0.03 0.00 -0.44 0.00 0.00 34.13 33.05 2aqc s GLU 39 CO 0.61 0.17 0.03 -0.51 0.95 0.00 0.00 175.26 176.51 2aqc s ASP 40 N -0.03 0.66 0.54 0.83 1.11 -1.26 -5.01 116.67 113.51 2aqc s ASP 40 Ca 0.01 0.03 0.21 0.00 0.18 0.00 0.00 52.55 52.97 2aqc s ASP 40 Cb -0.06 -0.16 1.43 0.00 1.07 0.00 0.00 42.92 45.20 2aqc s ASP 40 CO 0.00 -0.17 2.17 0.08 1.18 0.00 0.00 175.17 178.43 2aqc h ARG 41 N 7.78 0.00 -0.59 8.23 0.11 -1.99 -0.09 114.38 127.82 2aqc h ARG 41 Ca -0.31 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.77 2aqc h ARG 41 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 2aqc h ARG 41 CO 0.34 0.02 0.00 0.91 0.10 0.00 0.00 179.97 181.34 2aqc n TRP 42 N -4.28 2.05 -0.17 4.08 5.03 -1.26 -4.53 117.44 118.36 2aqc n TRP 42 Ca -0.03 -0.71 0.23 0.00 3.03 0.00 0.00 57.50 60.02 2aqc n TRP 42 Cb 0.10 -0.51 0.63 0.00 -1.03 0.00 0.00 31.31 30.50 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 4.05 0.35 1.20 6.99 0.00 -1.42 0.13 103.07 114.36 2aqc h GLY 43 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 2aqc h GLY 43 CO 0.49 0.00 -1.26 0.50 0.00 0.00 0.00 176.54 176.27 2aqc h LYS 44 N 0.17 0.00 -0.38 4.80 1.57 -1.83 -3.33 116.57 117.57 2aqc h LYS 44 Ca 0.40 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.30 2aqc h LYS 44 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 2aqc h LYS 44 CO -0.07 0.36 0.35 -0.92 -0.57 0.00 0.00 179.45 178.60 2aqc h TYR 45 N 0.00 0.00 -0.79 -1.35 5.03 -1.05 -0.27 116.97 118.54 2aqc h TYR 45 Ca -0.14 0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.40 2aqc h TYR 45 Cb 1.58 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.83 2aqc h TYR 45 CO 0.00 0.00 0.57 -0.09 -1.32 0.00 0.00 178.16 177.32 2aqc h ARG 46 N 0.00 0.01 -0.47 1.82 9.65 -1.65 0.25 114.38 124.00 2aqc h ARG 46 Ca 0.18 -0.00 0.09 0.00 -1.10 0.00 0.00 59.98 59.15 2aqc h ARG 46 Cb 0.89 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 2aqc h ARG 46 CO -0.00 0.01 0.32 0.00 2.80 0.00 0.00 179.97 183.09 2aqc h ARG 47 N 0.01 0.23 0.00 0.20 3.08 -1.32 -2.39 114.38 114.19 2aqc h ARG 47 Ca 0.38 -0.01 -0.37 0.00 0.07 0.00 0.00 59.98 60.05 2aqc h ARG 47 Cb 1.49 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.42 2aqc h ARG 47 CO -0.01 0.15 -2.35 -1.33 -1.07 0.00 0.00 179.97 175.37 2aqc n MET 48 N -4.46 0.68 -0.01 0.04 2.81 0.74 -4.29 117.12 112.63 2aqc n MET 48 Ca 0.07 0.02 0.22 0.00 -1.81 0.00 0.00 57.70 56.21 2aqc n MET 48 Cb 0.37 -1.54 0.72 0.00 -0.71 0.00 0.00 33.22 32.05 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 0.00 -8.54 4.03 7.12 -0.62 -3.38 115.31 113.92 2aqc h LEU 49 Ca -0.53 0.00 -0.49 0.00 0.13 0.00 0.00 57.88 56.98 2aqc h LEU 49 Cb 2.21 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 42.31 2aqc h LEU 49 CO 0.02 0.00 1.43 -1.59 -0.13 0.00 0.00 178.44 178.17 2aqc s LYS 50 N -4.90 2.52 0.00 1.25 0.00 -1.03 -4.88 119.74 112.71 2aqc s LYS 50 Ca -0.05 0.87 0.00 0.00 0.00 0.00 0.00 55.97 56.79 2aqc s LYS 50 Cb 0.19 -4.43 0.00 0.00 0.00 0.00 0.00 37.83 33.59 2aqc s LYS 50 CO 0.69 -2.83 0.67 0.54 0.00 0.00 0.00 175.35 174.42 2aqc n ARG 51 N 9.10 0.00 -3.38 1.78 1.74 -1.26 -4.86 116.66 119.78 2aqc n ARG 51 Ca 0.25 0.33 -0.07 0.00 -0.77 0.00 0.00 57.85 57.58 2aqc n ARG 51 Cb 0.52 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.78 -1.26 -1.44 7.54 0.00 -1.26 -4.91 121.76 117.65 2aqc s ALA 52 Ca 0.00 1.14 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 2aqc s ALA 52 Cb 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.47 2aqc s ALA 52 CO 0.00 -1.19 0.99 -0.11 0.00 0.00 0.00 175.76 175.46 2aqc n LEU 53 N 5.38 -3.00 0.01 0.00 0.00 -1.26 -4.89 117.00 113.23 2aqc n LEU 53 Ca -0.04 -0.52 -0.12 0.00 0.00 0.00 0.00 56.01 55.32 2aqc n LEU 53 Cb 0.50 -2.90 -0.14 0.00 0.00 0.00 0.00 43.42 40.89 2aqc n LEU 53 CO 0.05 0.51 -0.48 0.50 0.00 0.00 0.00 177.39 177.96 2aqc h LYS 54 N -2.23 0.10 -1.81 1.96 1.63 -1.90 -3.46 116.57 110.86 2aqc h LYS 54 Ca -0.56 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.08 2aqc h LYS 54 Cb 1.37 0.06 -0.24 0.00 -0.60 0.00 0.00 32.23 32.82 2aqc h LYS 54 CO 0.58 0.79 -0.29 0.54 -3.45 0.00 0.00 179.45 177.62 2aqc s ASN 55 N -6.49 -0.75 0.31 4.20 4.22 -1.26 -5.08 114.94 110.10 2aqc s ASN 55 Ca -0.08 0.98 -0.29 0.00 -2.14 0.00 0.00 52.86 51.33 2aqc s ASN 55 Cb 0.08 1.82 -0.10 0.00 1.28 0.00 0.00 41.25 44.33 2aqc s ASN 55 CO 0.82 -0.25 1.33 -0.54 -2.04 0.00 0.00 177.10 176.42 2aqc s LYS 56 N 2.75 4.34 0.12 3.55 3.01 -1.26 -4.94 119.74 127.31 2aqc s LYS 56 Ca 0.06 2.23 -0.31 0.00 -1.01 0.00 0.00 55.97 56.94 2aqc s LYS 56 Cb -0.14 -3.08 -0.10 0.00 -1.01 0.00 0.00 37.83 33.51 2aqc s LYS 56 CO -0.18 -0.23 1.58 -0.97 0.51 0.00 0.00 175.35 176.07 2aqc h ASN 57 N 3.70 -1.29 -5.05 2.83 -0.73 -2.03 -3.44 115.58 109.56 2aqc h ASN 57 Ca -0.48 0.15 -0.15 0.00 1.87 0.00 0.00 56.30 57.68 2aqc h ASN 57 Cb 1.22 0.49 -0.19 0.00 0.27 0.00 0.00 38.32 40.12 2aqc h ASN 57 CO 0.68 -0.48 -0.65 -0.54 -0.37 0.00 0.00 177.43 176.06 2aqc s LYS 58 N -5.89 0.42 0.16 6.67 1.02 -1.26 -5.05 119.74 115.81 2aqc s LYS 58 Ca -0.16 -0.74 -0.10 0.00 0.02 0.00 0.00 55.97 54.99 2aqc s LYS 58 Cb 0.08 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.56 2aqc s LYS 58 CO 0.63 -0.08 1.57 0.00 -0.92 0.00 0.00 175.35 176.55 2aqc h ALA 59 N 4.18 0.72 0.00 5.17 0.00 -2.04 -3.55 119.26 123.74 2aqc h ALA 59 Ca -0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2aqc h ALA 59 Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2aqc h ALA 59 CO 0.47 0.67 0.00 -1.91 0.00 0.00 0.00 179.25 178.48