#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 -4.32 -0.31 0.11 4.81 -1.26 -5.01 118.16 112.19 2axx n LYS 2 Ca 0.00 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2axx n LYS 2 Cb 0.00 -5.16 0.00 0.00 0.02 0.00 0.00 35.03 29.89 2axx n LYS 2 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2axx n ASP 3 N -3.03 0.00 0.00 3.14 -0.08 -1.26 -5.11 116.55 110.20 2axx n ASP 3 Ca -0.25 -0.57 0.00 0.00 -1.51 0.00 0.00 54.79 52.46 2axx n ASP 3 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 2axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2axx n VAL 4 N -0.83 0.00 -3.09 5.18 0.31 -1.26 -4.97 118.33 113.66 2axx n VAL 4 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 2axx n VAL 4 Cb 0.00 -0.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.79 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 0.90 -2.22 5.55 4.01 -1.26 -5.01 118.16 120.12 2axx n LYS 5 Ca 0.00 -3.02 -0.43 0.00 -0.51 0.00 0.00 58.31 54.35 2axx n LYS 5 Cb 0.00 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.03 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 -1.51 2.26 0.09 2.13 2.02 -1.26 -0.57 117.35 120.51 2axx s TYR 6 Ca 0.36 0.66 0.09 0.00 -0.37 0.00 0.00 57.07 57.81 2axx s TYR 6 Cb 0.29 -4.08 -0.03 0.00 -0.40 0.00 0.00 41.96 37.74 2axx s TYR 6 CO -0.10 -2.42 -0.24 0.71 -1.57 0.00 0.00 175.55 171.94 2axx s TYR 7 N 5.36 2.07 0.92 2.71 2.02 0.17 -4.75 117.35 125.84 2axx s TYR 7 Ca 0.67 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.84 2axx s TYR 7 Cb -0.20 -1.17 0.15 0.00 -0.40 0.00 0.00 41.96 40.34 2axx s TYR 7 CO 0.29 0.22 1.18 0.95 -1.57 0.00 0.00 175.55 176.62 2axx s THR 8 N -0.99 1.97 -0.06 -0.71 -4.23 -1.26 -0.46 115.64 109.89 2axx s THR 8 Ca 0.10 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.36 2axx s THR 8 Cb -0.10 -2.84 -0.21 0.00 1.34 0.00 0.00 72.50 70.70 2axx s THR 8 CO 0.04 0.00 1.03 -0.07 -0.54 0.00 0.00 174.62 175.08 2axx h LEU 9 N -1.50 -0.04 -0.72 4.79 -0.00 -1.98 -2.75 115.31 113.11 2axx h LEU 9 Ca -0.48 -0.59 0.07 0.00 -0.00 0.00 0.00 57.88 56.89 2axx h LEU 9 Cb 1.31 0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 41.92 2axx h LEU 9 CO 0.56 0.60 0.39 -0.08 -0.00 0.00 0.00 178.44 179.91 2axx h GLU 10 N -0.72 0.68 -0.09 1.13 4.81 -1.96 0.19 114.58 118.62 2axx h GLU 10 Ca -0.01 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2axx h GLU 10 Cb 0.63 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 2axx h GLU 10 CO 0.01 0.45 -0.50 1.49 -0.73 0.00 0.00 179.01 179.73 2axx h GLU 11 N 0.70 -0.54 -0.31 1.92 4.57 -1.94 -1.14 114.58 117.84 2axx h GLU 11 Ca 0.33 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 2axx h GLU 11 Cb 0.26 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2axx h GLU 11 CO -0.21 -0.36 0.06 0.82 -1.18 0.00 0.00 179.01 178.13 2axx h ILE 12 N -0.56 1.16 -0.65 2.32 1.08 -1.07 -0.91 117.51 118.88 2axx h ILE 12 Ca 0.02 -0.58 0.15 0.00 -0.39 0.00 0.00 64.86 64.07 2axx h ILE 12 Cb 0.64 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 2axx h ILE 12 CO -0.39 0.21 0.45 -0.61 -0.69 0.00 0.00 178.15 177.12 2axx h GLN 13 N 0.45 0.20 0.00 2.37 4.15 0.50 0.11 115.11 122.89 2axx h GLN 13 Ca 0.11 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 2axx h GLN 13 Cb 0.21 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2axx h GLN 13 CO -0.00 0.13 -0.41 0.87 -1.93 0.00 0.00 178.83 177.49 2axx h LYS 14 N 0.20 0.00 -4.48 1.69 1.79 -0.05 -3.37 116.57 112.35 2axx h LYS 14 Ca 0.31 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 58.14 2axx h LYS 14 Cb 0.95 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.61 2axx h LYS 14 CO -0.06 0.41 2.44 0.72 -1.08 0.00 0.00 179.45 181.88 2axx n HIS 15 N -3.29 2.54 -2.16 -1.35 8.25 0.40 -4.35 115.22 115.25 2axx n HIS 15 Ca 0.01 -2.16 -0.03 0.00 -0.26 0.00 0.00 57.72 55.29 2axx n HIS 15 Cb 0.64 -2.06 0.09 0.00 1.12 0.00 0.00 29.99 29.78 2axx n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2axx n LYS 16 N 6.91 1.72 -1.57 -0.41 4.81 -1.26 -3.05 118.16 125.32 2axx n LYS 16 Ca 0.50 -3.24 -0.30 0.00 -0.87 0.00 0.00 58.31 54.41 2axx n LYS 16 Cb 0.41 -1.38 0.19 0.00 0.02 0.00 0.00 35.03 34.26 2axx n LYS 16 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2axx s ASP 17 N -3.13 2.59 -0.28 3.14 -4.77 -1.26 -4.98 116.67 107.98 2axx s ASP 17 Ca 0.38 0.57 0.09 0.00 -3.30 0.00 0.00 52.55 50.30 2axx s ASP 17 Cb 0.38 -0.82 0.69 0.00 -1.09 0.00 0.00 42.92 42.07 2axx s ASP 17 CO -0.06 -3.09 1.69 -0.24 0.70 0.00 0.00 175.17 174.17 2axx n SER 18 N -4.06 4.71 -0.40 2.11 2.88 -1.26 -4.11 113.62 113.49 2axx n SER 18 Ca 0.12 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 2axx n SER 18 Cb 0.59 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2axx n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2axx n LYS 19 N 0.04 0.00 -2.71 -1.46 0.00 -1.26 -4.95 118.16 107.81 2axx n LYS 19 Ca 0.35 -0.66 -0.07 0.00 0.00 0.00 0.00 58.31 57.93 2axx n LYS 19 Cb 1.25 -0.37 0.08 0.00 0.00 0.00 0.00 35.03 35.99 2axx n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2axx n SER 20 N 0.00 -2.12 -4.57 3.14 7.64 -1.26 -4.99 113.62 111.47 2axx n SER 20 Ca 0.00 -2.81 -0.22 0.00 1.01 0.00 0.00 58.87 56.85 2axx n SER 20 Cb 0.62 1.48 -0.07 0.00 -1.01 0.00 0.00 64.21 65.23 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 0.35 3.32 0.27 0.44 2.01 -1.26 -4.56 115.64 116.20 2axx s THR 21 Ca 0.26 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 2axx s THR 21 Cb 0.25 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.72 2axx s THR 21 CO -0.15 -0.62 0.64 0.26 -0.69 0.00 0.00 174.62 174.06 2axx s TRP 22 N 12.48 3.41 -0.05 4.92 0.52 -1.26 -2.28 118.94 136.69 2axx s TRP 22 Ca 0.76 1.06 -0.14 0.00 0.02 0.00 0.00 56.10 57.81 2axx s TRP 22 Cb -0.06 -2.41 0.03 0.00 -1.15 0.00 0.00 33.47 29.88 2axx s TRP 22 CO 0.08 0.19 0.31 0.14 0.02 0.00 0.00 176.95 177.70 2axx s VAL 23 N -1.87 0.04 -0.28 4.03 -7.23 -0.40 -1.91 120.40 112.77 2axx s VAL 23 Ca 0.50 -0.33 -0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2axx s VAL 23 Cb -0.11 -0.56 0.05 0.00 0.56 0.00 0.00 36.38 36.31 2axx s VAL 23 CO 0.19 -0.18 -0.04 0.27 -0.31 0.00 0.00 175.10 175.03 2axx s ILE 24 N -0.86 2.73 -0.23 -0.62 -5.25 0.75 -0.40 121.20 117.32 2axx s ILE 24 Ca -0.09 -1.38 -0.05 0.00 -0.99 0.00 0.00 60.65 58.13 2axx s ILE 24 Cb -0.04 -2.54 -0.01 0.00 2.95 0.00 0.00 42.46 42.81 2axx s ILE 24 CO 0.03 -0.02 -0.00 -0.76 -1.79 0.00 0.00 174.94 172.40 2axx s LEU 25 N 1.22 3.11 0.00 0.37 1.43 -0.96 -3.18 118.68 120.69 2axx s LEU 25 Ca -0.05 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2axx s LEU 25 Cb -0.19 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2axx s LEU 25 CO -0.03 -0.03 0.00 1.41 0.23 0.00 0.00 176.35 177.93 2axx n HIS 26 N 4.84 0.00 -2.93 0.29 8.25 -1.26 -3.24 115.22 121.17 2axx n HIS 26 Ca -0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.14 2axx n HIS 26 Cb 0.51 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.63 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 0.00 -1.99 -3.64 4.41 8.25 -1.26 -5.05 115.22 115.94 2axx n HIS 27 Ca 0.00 -2.59 -0.05 0.00 -0.26 0.00 0.00 57.72 54.82 2axx n HIS 27 Cb 0.00 0.77 -0.07 0.00 1.12 0.00 0.00 29.99 31.81 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 -0.28 0.24 -0.23 -0.41 1.02 -1.20 -4.58 119.74 114.31 2axx s LYS 28 Ca 0.32 0.25 -0.15 0.00 0.02 0.00 0.00 55.97 56.41 2axx s LYS 28 Cb 0.23 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 2axx s LYS 28 CO -0.16 -0.04 0.37 0.08 -0.92 0.00 0.00 175.35 174.68 2axx s VAL 29 N -0.06 5.20 -0.14 3.17 1.01 0.16 -2.25 120.40 127.49 2axx s VAL 29 Ca 0.06 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 2axx s VAL 29 Cb -0.04 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2axx s VAL 29 CO -0.11 0.22 -0.12 -0.31 0.00 0.00 0.00 175.10 174.78 2axx s TYR 30 N 1.58 2.83 -0.33 5.22 2.02 0.46 -1.18 117.35 127.95 2axx s TYR 30 Ca 0.16 -0.64 -0.13 0.00 -0.37 0.00 0.00 57.07 56.10 2axx s TYR 30 Cb -0.15 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2axx s TYR 30 CO 0.08 -0.22 0.23 0.34 -1.57 0.00 0.00 175.55 174.42 2axx s ASP 31 N 0.40 6.05 0.00 2.29 -1.08 -0.87 -1.28 116.67 122.17 2axx s ASP 31 Ca -0.10 -0.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 2axx s ASP 31 Cb -0.16 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 2axx s ASP 31 CO 0.05 -0.22 0.00 0.18 0.52 0.00 0.00 175.17 175.70 2axx n LEU 32 N 5.10 0.00 0.00 -1.34 4.77 -0.97 -4.84 117.00 119.72 2axx n LEU 32 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2axx n LEU 32 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2axx n LEU 32 CO 0.36 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.83 2axx n THR 33 N 0.00 0.00 1.32 -5.08 -1.04 -1.24 -3.84 114.28 104.39 2axx n THR 33 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 2axx n THR 33 Cb 0.00 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.66 0.00 -2.82 5.02 -1.26 -1.60 118.16 118.16 2axx n LYS 34 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2axx n LYS 34 Cb 0.00 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.94 0.00 -0.01 2.13 7.35 -1.25 -4.66 117.46 120.08 2axx n PHE 35 Ca 0.14 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.71 2axx n PHE 35 Cb 0.06 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.83 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 1.18 -1.34 -0.13 -2.13 3.38 -1.61 0.24 115.31 114.90 2axx h LEU 36 Ca 0.00 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2axx h LEU 36 Cb 0.32 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2axx h LEU 36 CO 0.00 -0.43 0.03 -0.33 0.09 0.00 0.00 178.44 177.80 2axx h GLU 37 N -0.48 0.20 -0.41 1.13 3.07 -1.85 -2.76 114.58 113.48 2axx h GLU 37 Ca 0.08 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 2axx h GLU 37 Cb 0.63 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2axx h GLU 37 CO -0.41 0.38 0.27 0.93 -1.40 0.00 0.00 179.01 178.78 2axx h GLU 38 N -0.01 0.46 -6.00 2.33 5.08 -1.70 -3.43 114.58 111.31 2axx h GLU 38 Ca 0.04 -0.03 -0.71 0.00 -1.00 0.00 0.00 59.36 57.66 2axx h GLU 38 Cb 0.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2axx h GLU 38 CO 0.00 0.30 1.36 1.58 -1.00 0.00 0.00 179.01 181.25 2axx n HIS 39 N -4.48 1.46 -1.98 4.33 -0.00 0.80 -4.77 115.22 110.57 2axx n HIS 39 Ca 0.04 0.47 -0.31 0.00 0.46 0.00 0.00 57.72 58.38 2axx n HIS 39 Cb 0.12 -2.44 -0.06 0.00 -0.12 0.00 0.00 29.99 27.50 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 7.83 1.69 0.00 1.57 -0.04 -1.26 -0.63 135.00 144.15 2axx n PRO 40 Ca 0.46 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 2axx n PRO 40 Cb 0.13 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 29.97 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 5.60 1.69 0.00 0.55 0.00 -1.26 -5.17 105.19 106.60 2axx n GLY 41 Ca 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 3.35 0.16 -0.02 0.00 0.20 -4.81 105.19 104.07 2axx n GLY 42 Ca 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.29 0.09 1.61 4.22 -1.77 -3.32 114.58 115.13 2axx h GLU 43 Ca 0.00 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.48 2axx h GLU 43 Cb 0.00 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2axx h GLU 43 CO 0.00 -0.11 -0.22 1.49 -2.18 0.00 0.00 179.01 177.99 2axx h GLU 44 N -1.06 -0.38 -0.73 1.92 4.81 -1.91 0.16 114.58 117.39 2axx h GLU 44 Ca -0.03 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 2axx h GLU 44 Cb 0.31 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 2axx h GLU 44 CO 0.05 -0.25 0.50 -0.39 -0.73 0.00 0.00 179.01 178.19 2axx h VAL 45 N -0.39 0.73 -0.04 0.32 -1.51 -1.88 0.35 116.25 113.83 2axx h VAL 45 Ca 0.03 -0.08 -0.08 0.00 -1.23 0.00 0.00 66.70 65.34 2axx h VAL 45 Cb 0.43 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.05 2axx h VAL 45 CO -0.13 0.05 -0.29 0.25 -1.23 0.00 0.00 177.57 176.21 2axx h LEU 46 N 0.25 0.32 0.00 4.19 7.12 -0.93 -3.29 115.31 122.97 2axx h LEU 46 Ca 0.36 -0.69 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2axx h LEU 46 Cb 1.05 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 2axx h LEU 46 CO -0.08 0.96 0.00 -1.14 -0.13 0.00 0.00 178.44 178.05 2axx n ARG 47 N -4.47 0.22 0.04 1.25 0.00 0.29 -3.73 116.66 110.26 2axx n ARG 47 Ca -0.09 0.04 -0.11 0.00 -0.00 0.00 0.00 57.85 57.69 2axx n ARG 47 Cb 0.50 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.42 2axx n ARG 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2axx h GLU 48 N 0.00 -0.36 0.00 -0.14 4.39 -0.48 -3.33 114.58 114.66 2axx h GLU 48 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2axx h GLU 48 Cb 0.34 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2axx h GLU 48 CO 0.00 -0.24 -0.17 1.96 -1.16 0.00 0.00 179.01 179.40 2axx h GLN 49 N -0.37 0.00 0.00 2.33 1.08 -1.81 -3.50 115.11 112.84 2axx h GLN 49 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2axx h GLN 49 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2axx h GLN 49 CO -0.25 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.63 2axx n ALA 50 N -2.72 0.00 -3.67 3.87 0.00 -1.24 -4.88 120.51 111.87 2axx n ALA 50 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 2axx n ALA 50 Cb 0.09 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 -0.44 5.81 0.00 0.00 -0.84 -3.60 105.19 106.12 2axx n GLY 51 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.66 1.96 3.48 -0.02 0.00 -0.80 -3.28 105.19 104.86 2axx n GLY 52 Ca -0.11 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 4.77 0.71 0.00 1.61 8.00 -1.24 -0.18 116.55 130.22 2axx n ASP 53 Ca 0.00 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.59 2axx n ASP 53 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 2axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2axx n ALA 54 N 16.19 1.79 -0.19 2.24 0.00 -1.25 -4.66 120.51 134.63 2axx n ALA 54 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 2axx n ALA 54 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 2axx n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2axx h THR 55 N 0.00 0.07 -0.67 0.00 2.02 -1.77 0.14 112.91 112.70 2axx h THR 55 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 2axx h THR 55 Cb 0.00 0.07 -0.13 0.00 -1.74 0.00 0.00 68.15 66.35 2axx h THR 55 CO 0.00 0.00 -0.06 -0.62 0.37 0.00 0.00 175.52 175.21 2axx n GLU 56 N -5.39 -0.06 -0.00 6.66 4.71 -1.26 -0.15 120.64 125.15 2axx n GLU 56 Ca 0.00 1.02 -0.21 0.00 -0.01 0.00 0.00 57.16 57.97 2axx n GLU 56 Cb 0.34 -1.58 -0.14 0.00 -1.01 0.00 0.00 31.44 29.05 2axx n GLU 56 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 2axx h ASN 57 N 0.00 0.34 -0.83 1.62 -0.00 -1.09 -2.90 115.58 112.73 2axx h ASN 57 Ca 0.37 -0.85 0.01 0.00 -0.00 0.00 0.00 56.30 55.84 2axx h ASN 57 Cb 0.70 -0.11 -0.04 0.00 -0.00 0.00 0.00 38.32 38.87 2axx h ASN 57 CO -0.65 1.53 0.55 0.15 -0.00 0.00 0.00 177.43 179.00 2axx h PHE 58 N -0.42 1.03 0.00 0.67 3.04 0.25 -2.68 116.94 118.82 2axx h PHE 58 Ca -0.26 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.50 2axx h PHE 58 Cb 1.65 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 39.78 2axx h PHE 58 CO 0.15 0.64 -1.00 0.93 -2.02 0.00 0.00 178.31 177.00 2axx h GLU 59 N 1.10 0.00 -1.00 1.11 4.39 -0.68 0.22 114.58 119.72 2axx h GLU 59 Ca 0.31 0.00 0.20 0.00 0.34 0.00 0.00 59.36 60.20 2axx h GLU 59 Cb -0.10 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.44 2axx h GLU 59 CO -0.07 0.99 0.61 0.22 -1.16 0.00 0.00 179.01 179.60 2axx h ASP 60 N 0.00 0.78 0.07 1.42 3.58 -1.25 -1.52 116.42 119.50 2axx h ASP 60 Ca -0.01 0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 2axx h ASP 60 Cb 1.77 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.80 2axx h ASP 60 CO 0.13 0.26 -0.45 0.58 -2.88 0.00 0.00 179.24 176.88 2axx h VAL 61 N 0.75 1.63 -3.57 2.25 2.07 -1.43 -3.50 116.25 114.45 2axx h VAL 61 Ca 0.59 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2axx h VAL 61 Cb 0.93 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2axx h VAL 61 CO -0.39 0.66 -0.01 0.61 0.02 0.00 0.00 177.57 178.46 2axx n GLY 62 N 1.59 -0.55 3.66 2.17 0.00 0.77 -4.99 105.19 107.83 2axx n GLY 62 Ca -0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2axx n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2axx s HIS 63 N -2.87 1.67 0.91 1.61 3.76 -1.24 -5.02 115.29 114.11 2axx s HIS 63 Ca 0.00 1.69 -0.11 0.00 -0.15 0.00 0.00 55.06 56.49 2axx s HIS 63 Cb -0.00 -3.29 0.14 0.00 1.11 0.00 0.00 32.58 30.54 2axx s HIS 63 CO 0.18 -2.87 1.09 -1.54 -0.85 0.00 0.00 174.74 170.76 2axx s SER 64 N -2.72 3.28 0.22 1.40 1.04 -1.26 -4.86 113.70 110.80 2axx s SER 64 Ca 0.66 1.66 -0.06 0.00 0.48 0.00 0.00 55.95 58.69 2axx s SER 64 Cb -0.23 -2.31 0.19 0.00 0.10 0.00 0.00 66.02 63.77 2axx s SER 64 CO 0.59 -2.79 1.72 0.74 0.98 0.00 0.00 173.24 174.47 2axx h THR 65 N -1.65 1.26 -0.79 2.02 2.02 -1.98 -1.10 112.91 112.68 2axx h THR 65 Ca -0.49 -1.03 0.16 0.00 0.77 0.00 0.00 66.41 65.82 2axx h THR 65 Cb 1.28 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 68.30 2axx h THR 65 CO 0.51 0.38 0.33 0.44 0.37 0.00 0.00 175.52 177.56 2axx h ASP 66 N 0.94 0.32 -0.25 4.18 3.32 -2.00 0.59 116.42 123.52 2axx h ASP 66 Ca 0.18 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 2axx h ASP 66 Cb 0.45 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2axx h ASP 66 CO 0.02 0.10 -0.10 0.00 -1.72 0.00 0.00 179.24 177.54 2axx h ALA 67 N 1.58 0.36 -0.97 3.45 0.00 -1.75 -2.29 119.26 119.64 2axx h ALA 67 Ca 0.45 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2axx h ALA 67 Cb 0.70 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2axx h ALA 67 CO -0.42 0.20 0.63 0.00 0.00 0.00 0.00 179.25 179.66 2axx h ARG 68 N 0.25 1.14 -0.26 0.00 3.08 0.18 0.26 114.38 119.04 2axx h ARG 68 Ca 0.06 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2axx h ARG 68 Cb 0.60 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2axx h ARG 68 CO 0.03 0.75 -0.20 1.05 -1.07 0.00 0.00 179.97 180.54 2axx h GLU 69 N 1.17 0.59 -0.53 0.04 -0.00 -1.02 -3.25 114.58 111.58 2axx h GLU 69 Ca 0.40 -0.29 -0.01 0.00 -0.00 0.00 0.00 59.36 59.47 2axx h GLU 69 Cb 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.82 2axx h GLU 69 CO -0.15 0.88 0.30 1.25 -0.00 0.00 0.00 179.01 181.29 2axx h LEU 70 N 0.31 0.64 -0.61 3.06 5.85 -0.69 0.19 115.31 124.06 2axx h LEU 70 Ca 0.05 -0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2axx h LEU 70 Cb 0.74 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 2axx h LEU 70 CO 0.05 0.50 0.01 0.28 -0.34 0.00 0.00 178.44 178.95 2axx h SER 71 N 0.73 -0.25 -0.76 1.25 0.02 -0.57 -1.35 113.55 112.62 2axx h SER 71 Ca 0.19 0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.33 2axx h SER 71 Cb -0.00 0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2axx h SER 71 CO -0.03 -0.10 0.46 0.11 -1.14 0.00 0.00 176.83 176.13 2axx h LYS 72 N 0.13 0.86 -0.05 3.45 6.56 -0.66 0.15 116.57 127.00 2axx h LYS 72 Ca 0.32 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.87 2axx h LYS 72 Cb 0.51 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2axx h LYS 72 CO -0.52 0.57 0.24 1.15 -2.06 0.00 0.00 179.45 178.83 2axx h THR 73 N 0.88 0.08 -0.28 -0.16 2.02 -1.07 0.03 112.91 114.42 2axx h THR 73 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 2axx h THR 73 Cb 0.09 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2axx h THR 73 CO -0.14 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.53 2axx n TYR 74 N -3.11 0.36 -1.72 3.16 4.01 0.46 -4.98 117.16 115.35 2axx n TYR 74 Ca -0.01 -0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.07 2axx n TYR 74 Cb 0.31 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.30 3.12 -0.18 -0.72 2.07 -0.00 -2.06 121.20 122.13 2axx s ILE 75 Ca 0.30 0.14 0.10 0.00 -1.41 0.00 0.00 60.65 59.77 2axx s ILE 75 Cb 0.18 -3.10 -0.18 0.00 0.13 0.00 0.00 42.46 39.49 2axx s ILE 75 CO 0.25 -0.02 -0.03 2.30 -1.91 0.00 0.00 174.94 175.52 2axx n ILE 76 N 5.96 1.14 -3.33 2.00 -5.35 -0.32 -4.93 119.36 114.54 2axx n ILE 76 Ca 0.21 -0.60 -0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2axx n ILE 76 Cb 0.42 -0.82 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 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 2.19 1.47 3.27 3.28 0.00 -1.05 -4.36 105.19 109.99 2axx n GLY 77 Ca -0.30 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 1.15 0.20 1.61 2.02 0.27 -0.67 118.70 121.27 2axx s GLU 78 Ca 0.01 -1.54 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 2axx s GLU 78 Cb -0.00 -0.48 -0.08 0.00 0.10 0.00 0.00 34.13 33.66 2axx s GLU 78 CO 0.00 -0.05 1.23 -0.51 0.02 0.00 0.00 175.26 175.95 2axx s LEU 79 N -3.20 4.44 0.20 1.80 1.43 -1.26 -0.66 118.68 121.43 2axx s LEU 79 Ca 0.22 2.30 -0.32 0.00 -1.03 0.00 0.00 54.13 55.31 2axx s LEU 79 Cb 0.05 -3.61 -0.15 0.00 0.03 0.00 0.00 46.19 42.51 2axx s LEU 79 CO 0.04 -0.42 1.26 1.57 0.23 0.00 0.00 176.35 179.03 2axx n HIS 80 N 2.42 1.65 0.25 0.29 -0.00 0.39 -4.73 115.22 115.49 2axx n HIS 80 Ca 0.04 0.58 0.08 0.00 0.46 0.00 0.00 57.72 58.88 2axx n HIS 80 Cb 0.44 -2.35 0.62 0.00 -0.12 0.00 0.00 29.99 28.58 2axx n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2axx h PRO 81 N 3.65 0.00 -0.24 1.57 0.13 -1.92 -1.52 132.00 133.66 2axx h PRO 81 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2axx h PRO 81 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 2axx h PRO 81 CO 0.72 0.06 -0.20 0.22 -0.23 0.00 0.00 178.00 178.56 2axx h ASP 82 N 0.00 -0.71 -0.43 1.44 3.58 -1.99 0.25 116.42 118.56 2axx h ASP 82 Ca -0.00 0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 2axx h ASP 82 Cb 0.10 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2axx h ASP 82 CO 0.01 -0.11 -0.22 -0.78 -2.88 0.00 0.00 179.24 175.25 2axx h ASP 83 N -0.07 0.96 -0.53 2.28 3.58 -1.85 -2.81 116.42 117.98 2axx h ASP 83 Ca 0.04 -0.36 0.15 0.00 0.42 0.00 0.00 57.03 57.28 2axx h ASP 83 Cb 0.18 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2axx h ASP 83 CO -0.27 1.14 0.41 -0.09 -2.88 0.00 0.00 179.24 177.55 2axx h ARG 84 N 0.81 0.00 0.00 0.28 2.43 -0.71 0.23 114.38 117.41 2axx h ARG 84 Ca 0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2axx h ARG 84 Cb 0.79 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2axx h ARG 84 CO 0.07 0.00 -0.07 1.03 -1.51 0.00 0.00 179.97 179.48 2axx h SER 85 N 0.00 0.00 -0.81 -3.80 0.87 -0.25 -3.37 113.55 106.19 2axx h SER 85 Ca 0.25 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.48 2axx h SER 85 Cb 1.07 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.77 2axx h SER 85 CO -0.00 0.07 -0.75 1.17 -0.53 0.00 0.00 176.83 176.79 2axx n LYS 86 N -3.18 1.00 -1.74 2.24 0.00 0.68 -5.12 118.16 112.05 2axx n LYS 86 Ca 0.01 -2.52 -0.42 0.00 0.00 0.00 0.00 58.31 55.38 2axx n LYS 86 Cb 0.38 -1.29 -0.01 0.00 0.00 0.00 0.00 35.03 34.12 2axx n LYS 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2axx n ILE 87 N 0.31 1.56 -3.74 3.15 2.08 -0.51 -4.93 119.36 117.27 2axx n ILE 87 Ca 0.13 -0.39 -0.10 0.00 0.56 0.00 0.00 62.75 62.96 2axx n ILE 87 Cb 0.69 -1.83 -0.05 0.00 -0.75 0.00 0.00 39.64 37.71 2axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2axx s ALA 88 N -0.63 -0.75 0.17 -1.39 0.00 -1.26 -5.11 121.76 112.78 2axx s ALA 88 Ca 0.59 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2axx s ALA 88 Cb -0.52 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.31 2axx s ALA 88 CO 0.57 -0.71 1.17 0.21 0.00 0.00 0.00 175.76 177.00 2axx s LYS 89 N -3.86 4.51 -0.03 0.00 2.20 -1.26 -4.98 119.74 116.31 2axx s LYS 89 Ca 0.08 1.82 -0.14 0.00 -0.36 0.00 0.00 55.97 57.37 2axx s LYS 89 Cb 0.01 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.99 2axx s LYS 89 CO -0.06 -0.07 0.64 -1.00 -0.36 0.00 0.00 175.35 174.50 2axx h PRO 90 N 5.42 -0.50 0.00 4.03 0.13 -2.03 -3.49 132.00 135.57 2axx h PRO 90 Ca -0.44 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2axx h PRO 90 Cb 1.21 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2axx h PRO 90 CO 0.75 -0.33 0.00 0.45 -0.23 0.00 0.00 178.00 178.64 2axx n SER 91 N -4.82 0.00 -4.56 1.44 2.88 -1.26 -5.14 113.62 102.16 2axx n SER 91 Ca -0.06 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.01 2axx n SER 91 Cb 0.20 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 2axx n SER 91 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2axx n GLU 92 N 0.00 1.09 -3.22 -1.46 4.07 -1.26 -4.96 120.64 114.90 2axx n GLU 92 Ca 0.00 0.39 -0.22 0.00 -0.06 0.00 0.00 57.16 57.26 2axx n GLU 92 Cb 0.00 -1.76 -0.07 0.00 -0.06 0.00 0.00 31.44 29.55 2axx n GLU 92 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2axx n THR 93 N 0.72 -0.86 -1.99 6.31 -1.04 -1.26 -5.07 114.28 111.08 2axx n THR 93 Ca 0.13 -3.23 0.00 0.00 -2.04 0.00 0.00 64.05 58.91 2axx n THR 93 Cb 0.28 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 2axx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32