#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axx n LYS 2 N 0.00 1.78 0.24 0.11 3.00 -1.26 -5.02 118.16 117.02 2axx n LYS 2 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2axx n LYS 2 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 35.03 35.79 2axx n LYS 2 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2axx h ASP 3 N 0.00 0.00 0.00 3.14 3.58 -2.05 -3.43 116.42 117.66 2axx h ASP 3 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2axx h ASP 3 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2axx h ASP 3 CO 0.00 0.00 0.00 0.52 -2.88 0.00 0.00 179.24 176.88 2axx n VAL 4 N -4.22 0.00 -3.02 2.25 0.31 -1.26 -5.10 118.33 107.29 2axx n VAL 4 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.14 2axx n VAL 4 Cb 0.16 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.07 2axx n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2axx n LYS 5 N 0.00 0.76 -2.14 5.55 4.01 -1.26 -4.93 118.16 120.15 2axx n LYS 5 Ca 0.00 -2.67 -0.42 0.00 -0.51 0.00 0.00 58.31 54.70 2axx n LYS 5 Cb 0.00 -1.32 -0.03 0.00 -0.51 0.00 0.00 35.03 33.17 2axx n LYS 5 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2axx s TYR 6 N -0.55 2.01 -0.02 2.13 2.02 -1.26 -1.15 117.35 120.53 2axx s TYR 6 Ca 0.34 0.64 0.04 0.00 -0.37 0.00 0.00 57.07 57.72 2axx s TYR 6 Cb 0.21 -4.20 -0.03 0.00 -0.40 0.00 0.00 41.96 37.54 2axx s TYR 6 CO -0.15 -2.53 -0.12 0.71 -1.57 0.00 0.00 175.55 171.89 2axx s TYR 7 N 6.55 2.76 0.35 2.71 2.02 0.16 -4.66 117.35 127.24 2axx s TYR 7 Ca 0.71 -0.12 -0.25 0.00 -0.37 0.00 0.00 57.07 57.04 2axx s TYR 7 Cb -0.18 -1.60 -0.10 0.00 -0.40 0.00 0.00 41.96 39.68 2axx s TYR 7 CO 0.32 0.27 0.96 0.95 -1.57 0.00 0.00 175.55 176.48 2axx s THR 8 N -0.85 4.19 0.18 -0.71 -4.23 -1.26 -0.43 115.64 112.53 2axx s THR 8 Ca 0.14 1.71 -0.18 0.00 -1.18 0.00 0.00 61.69 62.18 2axx s THR 8 Cb -0.11 -3.90 0.14 0.00 1.34 0.00 0.00 72.50 69.98 2axx s THR 8 CO 0.03 0.04 1.63 -0.07 -0.54 0.00 0.00 174.62 175.71 2axx h LEU 9 N 2.86 -0.70 0.17 4.79 -0.00 -1.98 -0.32 115.31 120.13 2axx h LEU 9 Ca -0.47 0.17 0.01 0.00 -0.00 0.00 0.00 57.88 57.59 2axx h LEU 9 Cb 1.19 0.39 -0.04 0.00 -0.00 0.00 0.00 40.66 42.20 2axx h LEU 9 CO 0.64 -0.23 -0.44 -0.08 -0.00 0.00 0.00 178.44 178.32 2axx h GLU 10 N -0.09 -0.68 -0.13 1.13 4.57 -1.97 0.21 114.58 117.61 2axx h GLU 10 Ca 0.23 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.51 2axx h GLU 10 Cb 0.45 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 2axx h GLU 10 CO -0.55 -0.46 -0.28 1.49 -1.18 0.00 0.00 179.01 178.04 2axx h GLU 11 N -0.71 -0.33 -0.66 1.92 4.57 -1.71 0.33 114.58 117.99 2axx h GLU 11 Ca 0.01 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2axx h GLU 11 Cb 0.71 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.32 2axx h GLU 11 CO -0.22 -0.22 0.35 0.82 -1.18 0.00 0.00 179.01 178.55 2axx h ILE 12 N -0.35 0.92 0.00 2.32 2.04 -0.86 0.15 117.51 121.73 2axx h ILE 12 Ca 0.10 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2axx h ILE 12 Cb 0.50 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2axx h ILE 12 CO -0.33 0.11 -0.01 -0.61 0.00 0.00 0.00 178.15 177.31 2axx h GLN 13 N 0.63 0.00 0.02 2.37 -0.00 0.82 -0.58 115.11 118.36 2axx h GLN 13 Ca 0.30 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.69 2axx h GLN 13 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.69 2axx h GLN 13 CO -0.21 0.01 -1.40 0.87 0.00 0.00 0.00 178.83 178.10 2axx h LYS 14 N 0.00 0.04 -4.23 1.69 1.79 0.13 -3.40 116.57 112.59 2axx h LYS 14 Ca -0.00 -0.07 -0.59 0.00 -2.18 0.00 0.00 60.65 57.81 2axx h LYS 14 Cb 0.06 0.03 0.04 0.00 -1.58 0.00 0.00 32.23 30.78 2axx h LYS 14 CO 0.00 0.80 2.38 0.72 -1.08 0.00 0.00 179.45 182.27 2axx n HIS 15 N -3.24 1.77 -2.65 -1.35 8.25 -0.22 -4.18 115.22 113.61 2axx n HIS 15 Ca -0.10 -1.86 -0.01 0.00 -0.26 0.00 0.00 57.72 55.49 2axx n HIS 15 Cb 1.00 -1.70 0.05 0.00 1.12 0.00 0.00 29.99 30.46 2axx n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2axx n LYS 16 N 6.34 1.55 -2.51 -0.41 2.85 -0.98 -0.82 118.16 124.18 2axx n LYS 16 Ca 0.48 -3.25 -0.31 0.00 -1.05 0.00 0.00 58.31 54.18 2axx n LYS 16 Cb 0.34 -1.34 -0.02 0.00 -0.65 0.00 0.00 35.03 33.36 2axx n LYS 16 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2axx s ASP 17 N -3.39 6.47 0.55 -5.58 2.15 0.30 -4.84 116.67 112.33 2axx s ASP 17 Ca 0.31 1.30 0.30 0.00 0.43 0.00 0.00 52.55 54.89 2axx s ASP 17 Cb 0.35 -2.40 1.46 0.00 -0.30 0.00 0.00 42.92 42.03 2axx s ASP 17 CO -0.06 -0.56 1.90 -1.28 -0.17 0.00 0.00 175.17 175.00 2axx h SER 18 N 0.75 0.00 -0.10 -0.34 0.87 -1.98 -0.15 113.55 112.60 2axx h SER 18 Ca -0.46 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.05 2axx h SER 18 Cb 1.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2axx h SER 18 CO 0.62 0.00 -0.31 2.29 -0.53 0.00 0.00 176.83 178.90 2axx n LYS 19 N -4.16 1.66 -2.69 2.24 2.85 -1.26 -4.78 118.16 112.02 2axx n LYS 19 Ca 0.15 -3.17 -0.04 0.00 -1.05 0.00 0.00 58.31 54.21 2axx n LYS 19 Cb 0.85 -1.66 0.03 0.00 -0.65 0.00 0.00 35.03 33.60 2axx n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2axx n SER 20 N -1.14 -1.91 -4.35 -5.58 7.64 -0.08 -5.09 113.62 103.11 2axx n SER 20 Ca 0.22 -1.50 -0.43 0.00 1.01 0.00 0.00 58.87 58.18 2axx n SER 20 Cb 0.78 0.98 -0.09 0.00 -1.01 0.00 0.00 64.21 64.87 2axx n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2axx s THR 21 N 0.87 4.86 0.30 0.44 2.01 -1.14 -0.54 115.64 122.44 2axx s THR 21 Ca 0.25 -1.13 0.07 0.00 0.31 0.00 0.00 61.69 61.19 2axx s THR 21 Cb 0.11 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2axx s THR 21 CO -0.10 -0.51 0.28 0.26 -0.69 0.00 0.00 174.62 173.86 2axx s TRP 22 N 1.57 3.05 0.00 4.92 0.52 -0.00 -2.75 118.94 126.24 2axx s TRP 22 Ca 0.04 -0.20 -0.13 0.00 0.02 0.00 0.00 56.10 55.83 2axx s TRP 22 Cb -0.23 -1.66 0.02 0.00 -1.15 0.00 0.00 33.47 30.45 2axx s TRP 22 CO 0.05 0.31 0.26 0.14 0.02 0.00 0.00 176.95 177.73 2axx s VAL 23 N -2.20 0.07 -0.18 4.03 -7.23 -1.08 -0.24 120.40 113.57 2axx s VAL 23 Ca 0.38 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2axx s VAL 23 Cb -0.07 -0.65 0.03 0.00 0.56 0.00 0.00 36.38 36.26 2axx s VAL 23 CO 0.27 -0.32 -0.12 0.27 -0.31 0.00 0.00 175.10 174.88 2axx s ILE 24 N -1.61 1.66 -0.23 -0.62 -5.25 -1.26 -0.92 121.20 112.96 2axx s ILE 24 Ca -0.12 -0.87 0.01 0.00 -0.99 0.00 0.00 60.65 58.68 2axx s ILE 24 Cb -0.05 -1.65 0.06 0.00 2.95 0.00 0.00 42.46 43.77 2axx s ILE 24 CO 0.02 0.30 -0.07 -0.76 -1.79 0.00 0.00 174.94 172.64 2axx s LEU 25 N 1.42 2.70 -0.91 0.37 1.43 -0.91 -2.69 118.68 120.09 2axx s LEU 25 Ca 0.01 -1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 51.86 2axx s LEU 25 Cb -0.15 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.82 2axx s LEU 25 CO -0.09 -0.21 0.67 1.41 0.23 0.00 0.00 176.35 178.35 2axx n HIS 26 N 4.63 -2.16 -3.46 0.29 8.25 -1.26 -3.55 115.22 117.95 2axx n HIS 26 Ca -0.13 0.75 -0.22 0.00 -0.26 0.00 0.00 57.72 57.86 2axx n HIS 26 Cb 0.44 -3.20 0.06 0.00 1.12 0.00 0.00 29.99 28.41 2axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2axx n HIS 27 N -2.98 -2.19 -3.36 4.41 8.25 -1.26 -5.01 115.22 113.08 2axx n HIS 27 Ca -0.18 0.70 0.02 0.00 -0.26 0.00 0.00 57.72 57.99 2axx n HIS 27 Cb 0.62 -3.91 -0.03 0.00 1.12 0.00 0.00 29.99 27.79 2axx n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2axx s LYS 28 N -5.18 0.38 -0.27 -0.41 3.01 -1.23 -4.72 119.74 111.32 2axx s LYS 28 Ca 0.42 0.85 -0.21 0.00 -1.01 0.00 0.00 55.97 56.02 2axx s LYS 28 Cb -0.10 0.50 -0.01 0.00 -1.01 0.00 0.00 37.83 37.21 2axx s LYS 28 CO 0.79 -0.23 0.66 0.08 0.51 0.00 0.00 175.35 177.16 2axx s VAL 29 N 2.70 4.94 -0.27 3.17 1.01 -1.20 -2.13 120.40 128.63 2axx s VAL 29 Ca 0.01 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.04 2axx s VAL 29 Cb -0.10 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2axx s VAL 29 CO -0.17 -0.04 0.05 -0.31 0.00 0.00 0.00 175.10 174.63 2axx s TYR 30 N 2.60 3.09 -0.74 5.22 2.02 -0.10 -1.44 117.35 128.00 2axx s TYR 30 Ca 0.27 -0.80 -0.24 0.00 -0.37 0.00 0.00 57.07 55.93 2axx s TYR 30 Cb -0.15 -2.22 0.06 0.00 -0.40 0.00 0.00 41.96 39.25 2axx s TYR 30 CO 0.09 -0.50 1.13 0.34 -1.57 0.00 0.00 175.55 175.04 2axx s ASP 31 N 1.53 6.24 0.00 2.29 2.15 -0.20 -2.63 116.67 126.05 2axx s ASP 31 Ca 0.04 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.08 2axx s ASP 31 Cb -0.16 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2axx s ASP 31 CO 0.02 -1.55 0.00 0.18 -0.17 0.00 0.00 175.17 173.65 2axx n LEU 32 N 8.27 0.00 0.00 -1.34 4.77 -1.20 -4.84 117.00 122.66 2axx n LEU 32 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2axx n LEU 32 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2axx n LEU 32 CO 0.65 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 177.12 2axx n THR 33 N 0.00 0.00 0.63 -5.08 -1.04 -1.11 -3.70 114.28 103.98 2axx n THR 33 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 2axx n THR 33 Cb 0.00 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.83 2axx n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2axx n LYS 34 N 0.00 0.24 0.00 -2.82 5.02 -1.26 -1.69 118.16 117.65 2axx n LYS 34 Ca 0.00 0.12 0.05 0.00 -2.02 0.00 0.00 58.31 56.46 2axx n LYS 34 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 2axx n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2axx n PHE 35 N -1.20 0.00 -0.07 2.13 7.35 -1.24 -4.55 117.46 119.87 2axx n PHE 35 Ca 0.07 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.69 2axx n PHE 35 Cb 0.08 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.90 2axx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2axx h LEU 36 N 1.64 -0.47 0.20 -2.13 3.38 -1.64 0.30 115.31 116.58 2axx h LEU 36 Ca 0.00 0.11 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 2axx h LEU 36 Cb 0.39 0.26 0.02 0.00 0.09 0.00 0.00 40.66 41.42 2axx h LEU 36 CO 0.00 -0.18 -1.56 -0.08 0.09 0.00 0.00 178.44 176.71 2axx h GLU 37 N -0.10 0.42 0.00 1.13 4.81 -1.83 -2.64 114.58 116.37 2axx h GLU 37 Ca 0.15 -0.72 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 2axx h GLU 37 Cb 0.33 0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2axx h GLU 37 CO -0.35 1.33 -0.06 0.93 -0.73 0.00 0.00 179.01 180.12 2axx h GLU 38 N 0.11 0.00 -6.13 1.92 5.08 -1.76 -3.43 114.58 110.37 2axx h GLU 38 Ca -0.27 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.50 2axx h GLU 38 Cb 2.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.36 2axx h GLU 38 CO 0.22 0.06 1.35 1.58 -1.00 0.00 0.00 179.01 181.22 2axx n HIS 39 N -3.78 2.13 -2.09 4.33 -0.00 0.10 -4.85 115.22 111.07 2axx n HIS 39 Ca -0.02 -0.13 -0.30 0.00 0.46 0.00 0.00 57.72 57.73 2axx n HIS 39 Cb 0.16 -2.72 -0.06 0.00 -0.12 0.00 0.00 29.99 27.26 2axx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2axx n PRO 40 N 8.02 1.74 0.00 1.57 -0.04 -1.26 -0.95 135.00 144.09 2axx n PRO 40 Ca 0.27 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 2axx n PRO 40 Cb 0.39 -3.69 0.00 0.00 -0.04 0.00 0.00 33.50 30.15 2axx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2axx n GLY 41 N 5.71 0.73 0.00 0.55 0.00 -1.26 -5.17 105.19 105.75 2axx n GLY 41 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2axx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2axx n GLY 42 N 0.00 2.28 0.10 -0.02 0.00 -0.12 -4.87 105.19 102.56 2axx n GLY 42 Ca 0.00 -2.03 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 2axx n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2axx h GLU 43 N 0.00 0.04 -0.21 1.61 4.81 -1.75 -3.38 114.58 115.71 2axx h GLU 43 Ca 0.00 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2axx h GLU 43 Cb 0.00 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2axx h GLU 43 CO 0.00 1.04 -0.12 1.49 -0.73 0.00 0.00 179.01 180.69 2axx h GLU 44 N -0.86 -0.10 -0.86 1.92 4.81 -1.91 0.35 114.58 117.93 2axx h GLU 44 Ca -0.26 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.18 2axx h GLU 44 Cb 1.32 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 2axx h GLU 44 CO -0.11 -0.07 0.29 -0.39 -0.73 0.00 0.00 179.01 178.00 2axx h VAL 45 N -0.10 0.43 0.09 0.32 -1.51 -1.90 0.13 116.25 113.71 2axx h VAL 45 Ca 0.12 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2axx h VAL 45 Cb 0.28 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.53 2axx h VAL 45 CO -0.27 0.06 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.01 2axx h LEU 46 N 0.31 -0.11 -0.95 4.19 3.38 -0.66 -3.16 115.31 118.32 2axx h LEU 46 Ca 0.53 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2axx h LEU 46 Cb 1.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2axx h LEU 46 CO -0.57 0.13 0.00 -1.14 0.09 0.00 0.00 178.44 176.95 2axx n ARG 47 N -5.05 1.00 -0.08 1.13 0.00 0.63 -1.97 116.66 112.33 2axx n ARG 47 Ca -0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.68 2axx n ARG 47 Cb 0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.12 2axx n ARG 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2axx n GLU 48 N -0.02 0.49 0.01 -0.14 -0.58 -0.08 -4.73 120.64 115.58 2axx n GLU 48 Ca 0.00 0.19 0.11 0.00 -0.42 0.00 0.00 57.16 57.04 2axx n GLU 48 Cb 0.24 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2axx n GLU 48 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2axx n GLN 49 N -4.38 0.16 -1.40 3.49 7.27 -1.23 -4.94 117.38 116.35 2axx n GLN 49 Ca -0.13 -0.02 -0.48 0.00 0.07 0.00 0.00 57.00 56.45 2axx n GLN 49 Cb 0.48 -1.54 -0.03 0.00 2.41 0.00 0.00 30.24 31.56 2axx n GLN 49 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2axx n ALA 50 N -1.69 -2.79 -3.78 1.69 0.00 -0.83 -2.01 120.51 111.09 2axx n ALA 50 Ca 0.03 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.58 2axx n ALA 50 Cb 0.39 -1.62 0.02 0.00 0.00 0.00 0.00 19.45 18.24 2axx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2axx n GLY 51 N 1.98 -1.06 0.00 0.00 0.00 0.67 -4.71 105.19 102.08 2axx n GLY 51 Ca 0.17 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2axx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2axx n GLY 52 N -1.81 -1.65 3.46 -0.02 0.00 -0.85 -4.42 105.19 99.90 2axx n GLY 52 Ca -0.15 0.57 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 2axx n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2axx n ASP 53 N 0.00 -5.79 0.07 1.61 9.92 -1.25 -4.80 116.55 116.31 2axx n ASP 53 Ca 0.00 -0.21 0.11 0.00 -0.53 0.00 0.00 54.79 54.15 2axx n ASP 53 Cb 0.00 -2.29 0.43 0.00 -0.64 0.00 0.00 41.12 38.62 2axx n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2axx n ALA 54 N -0.71 1.80 -0.37 2.24 0.00 -1.09 -3.63 120.51 118.75 2axx n ALA 54 Ca -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 2axx n ALA 54 Cb 0.65 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.78 2axx n ALA 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2axx n THR 55 N -1.92 -0.51 -0.33 0.00 -1.04 -1.19 -0.74 114.28 108.55 2axx n THR 55 Ca 0.03 2.25 -0.01 0.00 -2.04 0.00 0.00 64.05 64.29 2axx n THR 55 Cb 0.24 -2.96 0.05 0.00 -1.82 0.00 0.00 70.33 65.84 2axx n THR 55 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2axx h GLU 56 N 0.00 -0.04 0.03 -2.82 5.08 -1.92 0.12 114.58 115.04 2axx h GLU 56 Ca 0.33 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2axx h GLU 56 Cb 0.56 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.83 2axx h GLU 56 CO -0.95 -0.03 -0.38 -0.97 -1.00 0.00 0.00 179.01 175.68 2axx h ASN 57 N -0.04 0.28 -0.98 1.42 -0.73 -1.24 0.97 115.58 115.27 2axx h ASN 57 Ca 0.34 -0.86 0.21 0.00 1.87 0.00 0.00 56.30 57.85 2axx h ASN 57 Cb 0.60 -0.09 -0.11 0.00 0.27 0.00 0.00 38.32 38.99 2axx h ASN 57 CO -0.91 1.11 0.57 0.15 -0.37 0.00 0.00 177.43 177.98 2axx h PHE 58 N -0.52 0.98 0.11 0.67 3.57 -0.49 -1.53 116.94 119.74 2axx h PHE 58 Ca -0.06 0.04 -0.32 0.00 3.53 0.00 0.00 57.97 61.16 2axx h PHE 58 Cb 1.20 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2axx h PHE 58 CO 0.20 0.15 -1.64 0.93 -2.23 0.00 0.00 178.31 175.72 2axx h GLU 59 N 0.66 0.23 -0.87 1.11 4.39 -0.80 0.18 114.58 119.47 2axx h GLU 59 Ca 0.59 -0.40 0.23 0.00 0.34 0.00 0.00 59.36 60.12 2axx h GLU 59 Cb 0.99 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.65 2axx h GLU 59 CO -0.42 1.07 0.26 0.22 -1.16 0.00 0.00 179.01 178.98 2axx h ASP 60 N 0.06 0.06 0.00 1.42 3.58 -0.05 -0.86 116.42 120.64 2axx h ASP 60 Ca -0.28 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2axx h ASP 60 Cb 2.02 0.24 0.00 0.00 1.72 0.00 0.00 39.33 43.31 2axx h ASP 60 CO 0.14 -0.13 -0.04 0.58 -2.88 0.00 0.00 179.24 176.91 2axx h VAL 61 N 0.24 1.66 -3.54 2.25 2.07 -1.38 -3.50 116.25 114.05 2axx h VAL 61 Ca 0.55 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 2axx h VAL 61 Cb 1.10 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 2axx h VAL 61 CO -0.63 0.52 -0.02 0.61 0.02 0.00 0.00 177.57 178.08 2axx n GLY 62 N 1.20 -0.42 3.47 2.17 0.00 0.63 -4.98 105.19 107.25 2axx n GLY 62 Ca -0.10 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2axx n HIS 63 N -1.25 -0.92 -0.51 1.61 8.25 -1.15 -5.01 115.22 116.24 2axx n HIS 63 Ca -0.00 0.28 -0.29 0.00 -0.26 0.00 0.00 57.72 57.45 2axx n HIS 63 Cb 0.50 -1.85 0.26 0.00 1.12 0.00 0.00 29.99 30.03 2axx n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2axx s SER 64 N -2.01 0.41 0.09 0.41 1.04 -1.26 -4.86 113.70 107.52 2axx s SER 64 Ca 0.60 1.32 -0.15 0.00 0.48 0.00 0.00 55.95 58.20 2axx s SER 64 Cb -0.24 -2.03 -0.11 0.00 0.10 0.00 0.00 66.02 63.74 2axx s SER 64 CO 0.64 -4.53 1.37 0.74 0.98 0.00 0.00 173.24 172.44 2axx h THR 65 N -2.85 1.31 -0.40 2.02 2.02 -1.99 -2.50 112.91 110.53 2axx h THR 65 Ca -0.58 -1.57 0.08 0.00 0.77 0.00 0.00 66.41 65.10 2axx h THR 65 Cb 1.34 1.75 -0.09 0.00 -1.74 0.00 0.00 68.15 69.41 2axx h THR 65 CO 0.46 0.50 -0.28 0.44 0.37 0.00 0.00 175.52 177.00 2axx h ASP 66 N 0.38 -0.94 0.09 4.18 5.19 -2.00 -0.76 116.42 122.57 2axx h ASP 66 Ca 0.02 0.18 0.02 0.00 -0.62 0.00 0.00 57.03 56.63 2axx h ASP 66 Cb 0.96 0.46 -0.05 0.00 0.18 0.00 0.00 39.33 40.88 2axx h ASP 66 CO 0.08 -0.29 -0.39 0.00 -3.12 0.00 0.00 179.24 175.53 2axx h ALA 67 N 0.90 -0.66 -0.79 3.45 0.00 -1.92 0.77 119.26 121.01 2axx h ALA 67 Ca 0.18 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.18 2axx h ALA 67 Cb 0.51 0.65 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 2axx h ALA 67 CO -0.52 -0.94 -0.25 0.00 0.00 0.00 0.00 179.25 177.54 2axx h ARG 68 N -0.60 -0.03 -0.22 0.00 2.47 -0.83 0.31 114.38 115.48 2axx h ARG 68 Ca 0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2axx h ARG 68 Cb 0.64 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2axx h ARG 68 CO -0.24 -0.02 0.09 0.93 0.56 0.00 0.00 179.97 181.29 2axx h GLU 69 N -0.03 0.33 -1.01 0.04 5.08 -0.74 -3.02 114.58 115.23 2axx h GLU 69 Ca 0.35 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 2axx h GLU 69 Cb 0.58 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 2axx h GLU 69 CO -0.82 0.38 0.65 1.25 -1.00 0.00 0.00 179.01 179.47 2axx h LEU 70 N 0.21 1.07 -0.67 1.33 5.85 0.11 -0.64 115.31 122.57 2axx h LEU 70 Ca 0.07 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.92 2axx h LEU 70 Cb 0.17 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 2axx h LEU 70 CO -0.01 0.70 0.20 0.28 -0.34 0.00 0.00 178.44 179.28 2axx h SER 71 N 1.22 0.12 -0.55 1.25 0.02 -0.36 -0.40 113.55 114.85 2axx h SER 71 Ca 0.42 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.55 2axx h SER 71 Cb 0.09 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 2axx h SER 71 CO -0.15 0.05 0.22 0.50 -1.14 0.00 0.00 176.83 176.31 2axx h LYS 72 N 0.34 0.41 -0.06 3.45 3.64 -1.01 0.25 116.57 123.59 2axx h LYS 72 Ca 0.36 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2axx h LYS 72 Cb 0.54 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2axx h LYS 72 CO -0.40 0.27 0.20 1.15 -2.27 0.00 0.00 179.45 178.40 2axx h THR 73 N 0.42 0.14 -0.01 1.00 2.02 -0.88 -0.81 112.91 114.79 2axx h THR 73 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2axx h THR 73 Cb 0.28 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2axx h THR 73 CO -0.25 0.00 -0.56 -1.22 0.37 0.00 0.00 175.52 173.86 2axx n TYR 74 N -3.22 0.00 -1.74 3.16 4.01 0.71 -4.97 117.16 115.10 2axx n TYR 74 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2axx n TYR 74 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 2axx n TYR 74 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2axx s ILE 75 N -2.46 3.14 -0.19 -0.72 2.07 -0.18 -1.03 121.20 121.83 2axx s ILE 75 Ca 0.15 0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.38 2axx s ILE 75 Cb 0.16 -3.11 -0.14 0.00 0.13 0.00 0.00 42.46 39.50 2axx s ILE 75 CO 0.60 -0.02 0.09 2.30 -1.91 0.00 0.00 174.94 176.00 2axx n ILE 76 N 5.62 1.50 0.00 2.00 -5.35 -0.52 -4.89 119.36 117.72 2axx n ILE 76 Ca 0.20 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.72 2axx n ILE 76 Cb 0.42 -2.14 0.00 0.00 -1.74 0.00 0.00 39.64 36.17 2axx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2axx n GLY 77 N 1.48 2.55 3.46 3.28 0.00 -1.24 -4.13 105.19 110.59 2axx n GLY 77 Ca -0.25 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2axx n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2axx s GLU 78 N 3.84 1.82 0.19 1.61 2.02 -0.30 -3.21 118.70 124.67 2axx s GLU 78 Ca 0.00 -1.74 -0.30 0.00 0.02 0.00 0.00 54.97 52.96 2axx s GLU 78 Cb 0.00 0.42 -0.08 0.00 0.10 0.00 0.00 34.13 34.58 2axx s GLU 78 CO 0.00 -0.74 1.08 -0.51 0.02 0.00 0.00 175.26 175.11 2axx s LEU 79 N -3.23 4.51 0.33 1.80 1.43 -1.26 -0.67 118.68 121.59 2axx s LEU 79 Ca 0.31 2.08 -0.29 0.00 -1.03 0.00 0.00 54.13 55.20 2axx s LEU 79 Cb 0.00 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 2axx s LEU 79 CO 0.20 -0.18 1.42 1.57 0.23 0.00 0.00 176.35 179.59 2axx n HIS 80 N 2.23 2.59 0.30 0.29 -0.00 0.43 -4.68 115.22 116.38 2axx n HIS 80 Ca 0.02 0.45 0.18 0.00 -0.00 0.00 0.00 57.72 58.37 2axx n HIS 80 Cb 0.46 -2.49 0.87 0.00 -0.00 0.00 0.00 29.99 28.83 2axx n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2axx h PRO 81 N 3.31 0.00 -0.90 1.57 0.13 -1.94 -1.60 132.00 132.57 2axx h PRO 81 Ca -0.47 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.91 2axx h PRO 81 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 2axx h PRO 81 CO 0.68 0.00 0.21 0.22 -0.23 0.00 0.00 178.00 178.88 2axx h ASP 82 N 0.00 -0.08 -0.93 1.44 3.58 -1.98 -0.21 116.42 118.24 2axx h ASP 82 Ca 0.00 0.22 -0.48 0.00 0.42 0.00 0.00 57.03 57.19 2axx h ASP 82 Cb 0.18 0.31 -0.29 0.00 1.72 0.00 0.00 39.33 41.25 2axx h ASP 82 CO 0.00 -0.21 0.58 -0.67 -2.88 0.00 0.00 179.24 176.06 2axx n ASP 83 N -5.28 3.69 -0.01 2.28 -0.08 -0.60 -4.21 116.55 112.34 2axx n ASP 83 Ca 0.22 -3.61 0.09 0.00 -1.51 0.00 0.00 54.79 49.98 2axx n ASP 83 Cb 0.73 -0.82 -0.13 0.00 2.34 0.00 0.00 41.12 43.24 2axx n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2axx n ARG 84 N -1.11 0.74 0.13 -0.67 -4.01 -0.09 -3.92 116.66 107.74 2axx n ARG 84 Ca 0.57 -0.12 0.13 0.00 -1.04 0.00 0.00 57.85 57.39 2axx n ARG 84 Cb 1.61 -1.40 0.41 0.00 -3.04 0.00 0.00 32.46 30.04 2axx n ARG 84 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 2axx h SER 85 N 0.00 0.00 -0.89 2.89 4.64 -1.73 -3.38 113.55 115.08 2axx h SER 85 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2axx h SER 85 Cb 0.70 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.53 2axx h SER 85 CO 0.00 0.00 -0.78 1.17 -0.87 0.00 0.00 176.83 176.35 2axx n LYS 86 N -2.37 1.00 -0.30 4.77 3.00 -1.26 -4.99 118.16 118.02 2axx n LYS 86 Ca 0.05 -2.58 0.11 0.00 -0.00 0.00 0.00 58.31 55.88 2axx n LYS 86 Cb 0.40 -1.32 0.27 0.00 0.00 0.00 0.00 35.03 34.38 2axx n LYS 86 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2axx h ILE 87 N 2.11 0.55 -3.92 3.15 5.03 -1.75 -3.41 117.51 119.26 2axx h ILE 87 Ca -0.01 -0.15 -0.55 0.00 -0.12 0.00 0.00 64.86 64.03 2axx h ILE 87 Cb 1.05 0.07 0.12 0.00 -3.03 0.00 0.00 36.82 35.02 2axx h ILE 87 CO 0.29 0.08 0.70 0.00 -0.68 0.00 0.00 178.15 178.55 2axx n ALA 88 N -2.50 2.06 -2.34 1.87 0.00 -1.26 -3.70 120.51 114.64 2axx n ALA 88 Ca 0.20 0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.89 2axx n ALA 88 Cb 0.57 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.64 2axx n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2axx n LYS 89 N -0.03 -0.80 -1.39 0.00 4.81 -1.26 -4.91 118.16 114.58 2axx n LYS 89 Ca 0.04 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 57.97 2axx n LYS 89 Cb 0.41 -3.76 -0.03 0.00 0.02 0.00 0.00 35.03 31.66 2axx n LYS 89 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2axx n PRO 90 N -1.62 2.14 -0.83 1.64 -0.04 -1.24 -4.73 135.00 130.32 2axx n PRO 90 Ca -0.01 -2.16 0.09 0.00 -0.04 0.00 0.00 63.50 61.38 2axx n PRO 90 Cb 0.51 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 2axx n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2axx n SER 91 N 6.71 -4.48 -0.02 3.54 2.88 -1.26 -4.73 113.62 116.27 2axx n SER 91 Ca 0.51 0.86 0.02 0.00 -1.33 0.00 0.00 58.87 58.93 2axx n SER 91 Cb 0.39 -2.77 -0.13 0.00 -0.75 0.00 0.00 64.21 60.94 2axx n SER 91 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2axx n GLU 92 N -3.17 0.66 0.26 -1.46 -0.00 -1.26 -4.64 120.64 111.03 2axx n GLU 92 Ca -0.05 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.16 56.94 2axx n GLU 92 Cb 0.37 -1.61 -0.08 0.00 -0.00 0.00 0.00 31.44 30.12 2axx n GLU 92 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2axx h THR 93 N 0.00 0.50 0.00 3.84 2.02 -2.00 -3.56 112.91 113.71 2axx h THR 93 Ca -0.21 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2axx h THR 93 Cb 1.53 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2axx h THR 93 CO 0.02 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.13