#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axx n LYS 2 N 0.00 -6.81 0.00 -0.67 4.76 -1.26 -4.81 118.16 109.37 1axx n LYS 2 Ca 0.00 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1axx n LYS 2 Cb 0.00 -5.75 0.00 0.00 -1.84 0.00 0.00 35.03 27.44 1axx n LYS 2 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1axx n ASP 3 N -2.88 0.00 -0.07 4.39 5.68 -1.26 -5.15 116.55 117.26 1axx n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1axx n ASP 3 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1axx n VAL 4 N -0.57 0.00 -2.81 2.12 0.31 -1.26 -5.04 118.33 111.07 1axx n VAL 4 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1axx n VAL 4 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1axx n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1axx n LYS 5 N 0.00 2.93 -1.63 5.55 4.81 -0.92 -4.95 118.16 123.94 1axx n LYS 5 Ca 0.00 -4.50 -0.56 0.00 -0.87 0.00 0.00 58.31 52.37 1axx n LYS 5 Cb 0.00 -2.13 -0.07 0.00 0.02 0.00 0.00 35.03 32.85 1axx n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1axx n TYR 6 N -0.25 1.61 -4.33 5.64 4.02 -1.26 -4.17 117.16 118.42 1axx n TYR 6 Ca 0.31 0.70 -0.23 0.00 -0.01 0.00 0.00 57.90 58.68 1axx n TYR 6 Cb 0.53 -2.34 -0.12 0.00 -0.02 0.00 0.00 39.34 37.40 1axx n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1axx s TYR 7 N 1.70 1.86 0.45 -0.72 2.02 -0.05 -4.78 117.35 117.83 1axx s TYR 7 Ca 0.92 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 57.12 1axx s TYR 7 Cb -1.08 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1axx s TYR 7 CO 0.58 0.31 0.75 0.95 -1.57 0.00 0.00 175.55 176.57 1axx s THR 8 N -1.72 4.90 0.10 -0.71 -4.23 -1.26 -0.15 115.64 112.58 1axx s THR 8 Ca 0.13 0.25 -0.34 0.00 -1.18 0.00 0.00 61.69 60.55 1axx s THR 8 Cb -0.07 -3.83 -0.14 0.00 1.34 0.00 0.00 72.50 69.80 1axx s THR 8 CO 0.06 -0.73 1.57 -0.07 -0.54 0.00 0.00 174.62 174.91 1axx h LEU 9 N 0.57 -1.47 -0.85 4.79 -0.00 -1.98 -1.37 115.31 115.00 1axx h LEU 9 Ca -0.47 0.15 0.09 0.00 -0.00 0.00 0.00 57.88 57.65 1axx h LEU 9 Cb 1.20 0.54 -0.12 0.00 -0.00 0.00 0.00 40.66 42.28 1axx h LEU 9 CO 0.62 -0.56 -0.54 -0.33 -0.00 0.00 0.00 178.44 177.63 1axx h GLU 10 N -0.76 -0.09 -0.24 1.13 4.39 -1.96 0.34 114.58 117.39 1axx h GLU 10 Ca -0.01 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1axx h GLU 10 Cb 0.76 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.36 1axx h GLU 10 CO -0.25 -0.06 -0.27 1.49 -1.16 0.00 0.00 179.01 178.76 1axx h GLU 11 N -0.09 -0.27 -0.59 2.33 4.57 -1.82 0.14 114.58 118.84 1axx h GLU 11 Ca 0.17 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1axx h GLU 11 Cb 0.48 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1axx h GLU 11 CO -0.86 -0.18 0.30 0.82 -1.18 0.00 0.00 179.01 177.90 1axx h ILE 12 N -0.28 1.19 0.00 2.32 2.04 -0.11 0.56 117.51 123.23 1axx h ILE 12 Ca 0.13 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1axx h ILE 12 Cb 0.49 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1axx h ILE 12 CO -0.41 0.22 0.00 1.67 0.00 0.00 0.00 178.15 179.63 1axx n GLN 13 N -4.37 0.14 0.07 2.37 -0.06 0.11 -2.62 117.38 113.02 1axx n GLN 13 Ca 0.05 0.31 -0.21 0.00 -2.00 0.00 0.00 57.00 55.16 1axx n GLN 13 Cb 0.12 -1.74 -0.15 0.00 -4.06 0.00 0.00 30.24 24.41 1axx n GLN 13 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1axx h LYS 14 N 0.00 0.35 -4.18 3.69 1.79 0.15 -3.40 116.57 114.98 1axx h LYS 14 Ca 0.00 -0.60 -0.62 0.00 -2.18 0.00 0.00 60.65 57.25 1axx h LYS 14 Cb 0.41 0.22 0.03 0.00 -1.58 0.00 0.00 32.23 31.31 1axx h LYS 14 CO 0.00 1.25 2.54 0.72 -1.08 0.00 0.00 179.45 182.88 1axx n HIS 15 N -3.54 2.08 -2.56 -1.35 8.25 -0.94 -3.93 115.22 113.23 1axx n HIS 15 Ca -0.22 -2.07 -0.03 0.00 -0.26 0.00 0.00 57.72 55.14 1axx n HIS 15 Cb 1.07 -1.87 0.10 0.00 1.12 0.00 0.00 29.99 30.41 1axx n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1axx n LYS 16 N 6.28 1.15 0.00 -0.41 2.85 -0.65 -1.42 118.16 125.95 1axx n LYS 16 Ca 0.50 -1.22 0.00 0.00 -1.05 0.00 0.00 58.31 56.54 1axx n LYS 16 Cb 0.35 0.41 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 1axx n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1axx n ASP 17 N -1.28 0.00 -3.76 -5.58 8.00 -1.20 -4.97 116.55 107.76 1axx n ASP 17 Ca -0.19 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 1axx n ASP 17 Cb 0.85 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.82 1axx n ASP 17 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1axx s SER 18 N -0.80 -0.22 -1.67 -2.24 1.04 -1.26 -4.87 113.70 103.68 1axx s SER 18 Ca 0.00 0.45 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 1axx s SER 18 Cb 0.00 0.38 0.13 0.00 0.10 0.00 0.00 66.02 66.63 1axx s SER 18 CO 0.00 -0.13 0.61 0.29 0.98 0.00 0.00 173.24 174.99 1axx n LYS 19 N 3.71 -2.51 -2.72 4.02 4.01 -1.26 -4.85 118.16 118.57 1axx n LYS 19 Ca -0.20 0.31 -0.05 0.00 -0.51 0.00 0.00 58.31 57.86 1axx n LYS 19 Cb 0.55 -4.77 0.03 0.00 -0.51 0.00 0.00 35.03 30.33 1axx n LYS 19 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1axx n SER 20 N -2.70 -2.48 -4.16 4.39 7.64 -1.26 -5.01 113.62 110.03 1axx n SER 20 Ca -0.02 -2.27 -0.35 0.00 1.01 0.00 0.00 58.87 57.23 1axx n SER 20 Cb 0.54 1.34 -0.13 0.00 -1.01 0.00 0.00 64.21 64.94 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1axx s THR 21 N 0.76 3.09 0.30 0.44 2.01 -1.26 -1.64 115.64 119.34 1axx s THR 21 Ca 0.28 -1.55 0.07 0.00 0.31 0.00 0.00 61.69 60.80 1axx s THR 21 Cb 0.11 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1axx s THR 21 CO -0.11 -0.26 0.25 0.26 -0.69 0.00 0.00 174.62 174.07 1axx s TRP 22 N 1.23 3.00 -0.15 4.92 0.52 -0.51 -3.25 118.94 124.70 1axx s TRP 22 Ca -0.01 -0.21 -0.13 0.00 0.02 0.00 0.00 56.10 55.77 1axx s TRP 22 Cb -0.20 -1.63 0.04 0.00 -1.15 0.00 0.00 33.47 30.53 1axx s TRP 22 CO -0.02 0.33 0.40 0.14 0.02 0.00 0.00 176.95 177.82 1axx s VAL 23 N -2.22 -0.01 -0.56 4.03 -7.23 -0.88 -0.03 120.40 113.49 1axx s VAL 23 Ca 0.37 0.02 -0.09 0.00 -1.81 0.00 0.00 61.98 60.48 1axx s VAL 23 Cb -0.07 -0.56 0.14 0.00 0.56 0.00 0.00 36.38 36.45 1axx s VAL 23 CO 0.26 0.01 0.44 0.27 -0.31 0.00 0.00 175.10 175.76 1axx s ILE 24 N 0.47 4.34 -0.34 -0.62 -4.36 -1.00 -0.88 121.20 118.81 1axx s ILE 24 Ca -0.02 -2.14 -0.13 0.00 -0.26 0.00 0.00 60.65 58.10 1axx s ILE 24 Cb -0.04 -3.82 -0.02 0.00 1.25 0.00 0.00 42.46 39.83 1axx s ILE 24 CO -0.02 -0.84 0.27 -0.76 0.24 0.00 0.00 174.94 173.83 1axx s LEU 25 N 0.88 4.52 -1.08 0.37 1.43 0.66 -3.76 118.68 121.70 1axx s LEU 25 Ca 0.10 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1axx s LEU 25 Cb -0.22 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1axx s LEU 25 CO -0.03 -0.27 0.92 1.41 0.23 0.00 0.00 176.35 178.62 1axx n HIS 26 N 5.17 -2.19 -1.21 0.29 8.25 -1.26 -2.44 115.22 121.83 1axx n HIS 26 Ca -0.12 0.86 -0.07 0.00 -0.26 0.00 0.00 57.72 58.13 1axx n HIS 26 Cb 0.50 -4.56 -0.03 0.00 1.12 0.00 0.00 29.99 27.01 1axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1axx n HIS 27 N -3.62 0.00 -4.31 4.41 8.25 -1.26 -4.95 115.22 113.74 1axx n HIS 27 Ca -0.19 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.95 1axx n HIS 27 Cb 0.64 -2.45 -0.16 0.00 1.12 0.00 0.00 29.99 29.14 1axx n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1axx s LYS 28 N -2.57 2.97 -0.32 -0.41 1.02 -1.02 -2.50 119.74 116.91 1axx s LYS 28 Ca 0.00 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 54.91 1axx s LYS 28 Cb 0.00 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1axx s LYS 28 CO 0.00 -0.14 0.90 0.08 -0.92 0.00 0.00 175.35 175.26 1axx s VAL 29 N 1.13 4.68 -0.17 3.17 1.01 0.12 -0.24 120.40 130.09 1axx s VAL 29 Ca 0.01 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.32 1axx s VAL 29 Cb -0.14 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1axx s VAL 29 CO -0.09 -0.36 -0.07 -0.31 0.00 0.00 0.00 175.10 174.27 1axx s TYR 30 N 3.24 2.94 -0.19 5.22 2.02 -0.06 -1.03 117.35 129.48 1axx s TYR 30 Ca 0.37 -0.63 -0.19 0.00 -0.37 0.00 0.00 57.07 56.24 1axx s TYR 30 Cb -0.13 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1axx s TYR 30 CO 0.14 -0.28 0.56 0.34 -1.57 0.00 0.00 175.55 174.75 1axx s ASP 31 N 0.78 6.62 -0.08 2.29 2.15 -1.05 -2.08 116.67 125.31 1axx s ASP 31 Ca -0.03 0.75 0.11 0.00 0.43 0.00 0.00 52.55 53.82 1axx s ASP 31 Cb -0.15 -2.32 0.17 0.00 -0.30 0.00 0.00 42.92 40.33 1axx s ASP 31 CO 0.02 -0.21 1.08 0.18 -0.17 0.00 0.00 175.17 176.06 1axx n LEU 32 N 4.84 2.10 0.22 -1.34 4.77 -1.20 -4.74 117.00 121.64 1axx n LEU 32 Ca -0.03 -2.56 0.15 0.00 -0.03 0.00 0.00 56.01 53.53 1axx n LEU 32 Cb 0.50 -0.25 0.81 0.00 -2.33 0.00 0.00 43.42 42.15 1axx n LEU 32 CO 0.43 0.60 1.13 0.74 -1.33 0.00 0.00 177.39 178.96 1axx h THR 33 N 0.30 0.62 -0.36 -5.08 2.02 -1.91 0.20 112.91 108.69 1axx h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1axx h THR 33 Cb 0.83 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1axx h THR 33 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1axx n LYS 34 N -4.01 3.28 0.00 6.66 4.76 -1.26 -4.46 118.16 123.12 1axx n LYS 34 Ca 0.00 -2.76 0.00 0.00 -2.87 0.00 0.00 58.31 52.68 1axx n LYS 34 Cb 0.23 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1axx n LYS 34 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1axx n PHE 35 N -0.02 0.00 -0.03 2.13 7.35 0.58 -4.80 117.46 122.67 1axx n PHE 35 Ca 0.21 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.77 1axx n PHE 35 Cb 0.86 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.62 1axx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1axx h LEU 36 N 0.00 -1.45 -0.27 -2.13 3.38 -1.44 0.30 115.31 113.70 1axx h LEU 36 Ca 0.00 0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1axx h LEU 36 Cb 0.05 0.59 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1axx h LEU 36 CO 0.00 -0.43 -0.28 -0.33 0.09 0.00 0.00 178.44 177.49 1axx h GLU 37 N -0.48 0.67 -0.76 1.13 5.08 -1.89 -2.97 114.58 115.36 1axx h GLU 37 Ca 0.08 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1axx h GLU 37 Cb 0.63 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1axx h GLU 37 CO -0.45 0.97 0.50 0.93 -1.00 0.00 0.00 179.01 179.96 1axx h GLU 38 N 0.40 0.80 -5.91 2.33 4.39 -1.72 -3.43 114.58 111.44 1axx h GLU 38 Ca 0.04 -0.05 -0.66 0.00 0.34 0.00 0.00 59.36 59.03 1axx h GLU 38 Cb 0.85 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1axx h GLU 38 CO 0.07 0.53 1.44 1.58 -1.16 0.00 0.00 179.01 181.47 1axx n HIS 39 N -4.48 1.47 -2.07 4.33 -0.00 0.10 -4.79 115.22 109.78 1axx n HIS 39 Ca 0.11 0.34 -0.32 0.00 0.46 0.00 0.00 57.72 58.31 1axx n HIS 39 Cb 0.21 -2.50 -0.05 0.00 -0.12 0.00 0.00 29.99 27.53 1axx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1axx n PRO 40 N 8.18 1.86 0.00 1.57 -0.04 -1.26 -0.89 135.00 144.41 1axx n PRO 40 Ca 0.44 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1axx n PRO 40 Cb 0.20 -3.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.03 1axx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1axx n GLY 41 N 5.60 1.15 0.00 0.55 0.00 -1.26 -5.17 105.19 106.06 1axx n GLY 41 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1axx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axx n GLY 42 N 0.00 3.37 0.08 -0.02 0.00 -0.07 -4.90 105.19 103.65 1axx n GLY 42 Ca 0.00 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 1axx n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1axx h GLU 43 N 0.00 0.00 -0.60 1.61 4.22 -1.80 -3.38 114.58 114.63 1axx h GLU 43 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1axx h GLU 43 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1axx h GLU 43 CO 0.00 0.74 0.33 1.49 -2.18 0.00 0.00 179.01 179.39 1axx h GLU 44 N -1.00 0.62 -0.92 1.92 4.81 -1.93 0.25 114.58 118.32 1axx h GLU 44 Ca -0.13 -0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.28 1axx h GLU 44 Cb 0.91 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.08 1axx h GLU 44 CO -0.08 0.41 0.61 -0.39 -0.73 0.00 0.00 179.01 178.83 1axx h VAL 45 N 0.63 0.65 0.11 0.32 -1.51 -1.91 0.37 116.25 114.92 1axx h VAL 45 Ca 0.26 -0.13 -0.30 0.00 -1.23 0.00 0.00 66.70 65.31 1axx h VAL 45 Cb 0.14 0.24 0.03 0.00 -2.13 0.00 0.00 31.29 29.57 1axx h VAL 45 CO -0.16 0.07 -1.23 -0.07 -1.23 0.00 0.00 177.57 174.95 1axx h LEU 46 N 0.38 0.89 0.00 4.19 3.38 -0.77 -3.30 115.31 120.09 1axx h LEU 46 Ca 0.48 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1axx h LEU 46 Cb 1.24 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1axx h LEU 46 CO -0.18 1.61 0.00 0.54 0.09 0.00 0.00 178.44 180.51 1axx n ARG 47 N -3.80 0.45 -0.12 1.13 1.74 0.24 -3.91 116.66 112.39 1axx n ARG 47 Ca -0.14 0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 56.93 1axx n ARG 47 Cb 0.98 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.95 1axx n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1axx h GLU 48 N 0.00 0.15 0.00 5.56 4.39 -0.48 -3.38 114.58 120.83 1axx h GLU 48 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1axx h GLU 48 Cb 0.20 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1axx h GLU 48 CO 0.00 0.10 -0.25 1.04 -1.16 0.00 0.00 179.01 178.74 1axx n GLN 49 N -5.14 0.13 -1.23 2.33 1.13 -1.26 -5.12 117.38 108.22 1axx n GLN 49 Ca 0.03 0.05 0.14 0.00 -1.94 0.00 0.00 57.00 55.27 1axx n GLN 49 Cb 0.19 -0.61 -0.07 0.00 0.11 0.00 0.00 30.24 29.86 1axx n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1axx n ALA 50 N -3.21 -3.24 -3.77 -1.58 0.00 -1.25 -4.89 120.51 102.57 1axx n ALA 50 Ca -0.04 0.65 -0.25 0.00 0.00 0.00 0.00 53.44 53.81 1axx n ALA 50 Cb 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1axx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1axx n GLY 51 N -3.94 -1.24 0.00 0.00 0.00 0.96 -4.90 105.19 96.08 1axx n GLY 51 Ca -0.06 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1axx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axx n GLY 52 N -1.62 1.19 3.58 -0.02 0.00 -1.26 -4.49 105.19 102.56 1axx n GLY 52 Ca -0.30 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1axx n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1axx s ASP 53 N 0.00 5.15 0.00 1.61 -4.77 -1.26 -2.38 116.67 115.02 1axx s ASP 53 Ca 0.00 -1.55 0.17 0.00 -3.30 0.00 0.00 52.55 47.87 1axx s ASP 53 Cb 0.00 -2.58 1.00 0.00 -1.09 0.00 0.00 42.92 40.24 1axx s ASP 53 CO 0.00 -2.92 1.41 0.00 0.70 0.00 0.00 175.17 174.36 1axx n ALA 54 N 13.98 2.12 -0.31 2.11 0.00 -1.25 -3.43 120.51 133.74 1axx n ALA 54 Ca 0.44 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.91 1axx n ALA 54 Cb 0.47 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 18.92 1axx n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1axx h THR 55 N 0.00 0.18 -0.74 0.00 2.02 -1.86 -0.07 112.91 112.45 1axx h THR 55 Ca 0.00 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.27 1axx h THR 55 Cb 0.01 0.08 -0.13 0.00 -1.74 0.00 0.00 68.15 66.36 1axx h THR 55 CO 0.00 0.02 -0.34 -0.08 0.37 0.00 0.00 175.52 175.49 1axx h GLU 56 N 0.10 -0.09 -0.03 6.66 4.57 -1.95 0.24 114.58 124.07 1axx h GLU 56 Ca 0.56 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.62 1axx h GLU 56 Cb 1.15 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1axx h GLU 56 CO -0.77 -0.06 -0.47 -0.97 -1.18 0.00 0.00 179.01 175.55 1axx h ASN 57 N -0.09 0.47 -0.84 1.04 -0.73 -1.45 0.89 115.58 114.86 1axx h ASN 57 Ca 0.28 -0.72 0.16 0.00 1.87 0.00 0.00 56.30 57.90 1axx h ASN 57 Cb 0.57 -0.14 -0.10 0.00 0.27 0.00 0.00 38.32 38.92 1axx h ASN 57 CO -0.79 1.12 0.40 0.15 -0.37 0.00 0.00 177.43 177.94 1axx h PHE 58 N -0.15 0.69 0.01 0.67 3.57 -0.28 -2.19 116.94 119.26 1axx h PHE 58 Ca -0.05 0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.22 1axx h PHE 58 Cb 1.17 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1axx h PHE 58 CO 0.14 0.11 -1.49 0.93 -2.23 0.00 0.00 178.31 175.77 1axx h GLU 59 N 0.54 0.01 -0.75 1.11 4.39 -0.59 0.19 114.58 119.49 1axx h GLU 59 Ca 0.48 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 60.31 1axx h GLU 59 Cb 0.74 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.26 1axx h GLU 59 CO -0.41 0.68 -0.13 0.22 -1.16 0.00 0.00 179.01 178.21 1axx h ASP 60 N 0.00 -0.60 0.03 1.42 1.82 -0.26 -1.77 116.42 117.07 1axx h ASP 60 Ca -0.20 0.22 -0.17 0.00 -0.39 0.00 0.00 57.03 56.48 1axx h ASP 60 Cb 1.94 0.43 0.02 0.00 0.68 0.00 0.00 39.33 42.40 1axx h ASP 60 CO 0.10 -0.23 -0.70 0.58 -1.61 0.00 0.00 179.24 177.38 1axx h VAL 61 N 0.03 1.43 -4.23 2.25 2.07 -1.44 -3.49 116.25 112.86 1axx h VAL 61 Ca 0.38 -2.19 -0.06 0.00 0.82 0.00 0.00 66.70 65.65 1axx h VAL 61 Cb 0.61 2.69 0.05 0.00 -1.52 0.00 0.00 31.29 33.12 1axx h VAL 61 CO -0.74 0.64 -0.21 0.61 0.02 0.00 0.00 177.57 177.89 1axx n GLY 62 N 1.19 -0.48 3.40 2.17 0.00 0.67 -4.93 105.19 107.21 1axx n GLY 62 Ca -0.11 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1axx n HIS 63 N -1.86 -1.37 -1.42 1.61 8.25 -1.18 -4.95 115.22 114.30 1axx n HIS 63 Ca -0.02 0.37 -0.36 0.00 -0.26 0.00 0.00 57.72 57.46 1axx n HIS 63 Cb 0.53 -1.86 0.09 0.00 1.12 0.00 0.00 29.99 29.87 1axx n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1axx n SER 64 N 0.64 1.21 -0.31 0.41 3.41 -1.26 -4.79 113.62 112.92 1axx n SER 64 Ca 0.09 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.54 1axx n SER 64 Cb 0.49 -1.49 0.37 0.00 -0.26 0.00 0.00 64.21 63.32 1axx n SER 64 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1axx h THR 65 N -0.15 0.76 -0.72 6.66 2.02 -2.00 0.17 112.91 119.66 1axx h THR 65 Ca -0.48 -0.24 0.15 0.00 0.77 0.00 0.00 66.41 66.60 1axx h THR 65 Cb 1.33 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.64 1axx h THR 65 CO 0.49 0.13 0.21 0.44 0.37 0.00 0.00 175.52 177.16 1axx h ASP 66 N 0.70 0.10 0.37 4.18 5.19 -2.01 -1.55 116.42 123.40 1axx h ASP 66 Ca 0.51 0.13 -0.15 0.00 -0.62 0.00 0.00 57.03 56.90 1axx h ASP 66 Cb 0.86 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1axx h ASP 66 CO -0.27 0.01 -0.63 0.00 -3.12 0.00 0.00 179.24 175.23 1axx h ALA 67 N 1.57 0.81 -0.35 3.45 0.00 -1.01 -1.52 119.26 122.22 1axx h ALA 67 Ca 0.40 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1axx h ALA 67 Cb 0.65 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1axx h ALA 67 CO -0.46 0.74 0.07 0.00 0.00 0.00 0.00 179.25 179.60 1axx h ARG 68 N 0.18 0.19 -0.24 0.00 2.47 -0.82 0.25 114.38 116.40 1axx h ARG 68 Ca -0.01 -0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.50 1axx h ARG 68 Cb 1.14 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1axx h ARG 68 CO 0.10 0.12 -0.62 1.05 0.56 0.00 0.00 179.97 181.18 1axx h GLU 69 N 0.19 0.84 -0.69 0.04 -0.00 -1.36 -3.24 114.58 110.36 1axx h GLU 69 Ca 0.16 -0.58 -0.02 0.00 -0.00 0.00 0.00 59.36 58.92 1axx h GLU 69 Cb 0.18 0.09 -0.03 0.00 -0.00 0.00 0.00 28.75 28.99 1axx h GLU 69 CO -0.21 1.21 0.35 1.25 -0.00 0.00 0.00 179.01 181.60 1axx h LEU 70 N 0.62 0.87 -0.64 3.06 5.85 -0.91 -1.82 115.31 122.35 1axx h LEU 70 Ca -0.01 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.74 1axx h LEU 70 Cb 1.24 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 1axx h LEU 70 CO 0.13 0.72 0.22 0.77 -0.34 0.00 0.00 178.44 179.95 1axx h SER 71 N 0.97 0.18 -0.70 1.25 4.64 -0.54 -0.20 113.55 119.15 1axx h SER 71 Ca 0.24 0.09 0.15 0.00 -0.47 0.00 0.00 61.79 61.81 1axx h SER 71 Cb 0.07 0.09 -0.12 0.00 -0.31 0.00 0.00 62.40 62.13 1axx h SER 71 CO -0.03 0.10 0.06 0.50 -0.87 0.00 0.00 176.83 176.59 1axx h LYS 72 N 0.38 0.16 0.00 4.77 1.63 -1.40 0.35 116.57 122.46 1axx h LYS 72 Ca 0.33 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1axx h LYS 72 Cb 0.45 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1axx h LYS 72 CO -0.35 0.10 -0.02 1.15 -3.45 0.00 0.00 179.45 176.88 1axx h THR 73 N 0.16 0.47 -0.02 1.00 2.02 -1.04 -0.76 112.91 114.74 1axx h THR 73 Ca 0.39 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1axx h THR 73 Cb 0.66 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1axx h THR 73 CO -0.57 0.02 -0.11 -1.22 0.37 0.00 0.00 175.52 174.01 1axx n TYR 74 N -3.72 0.00 -2.04 3.16 4.01 0.11 -4.94 117.16 113.74 1axx n TYR 74 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1axx n TYR 74 Cb 0.11 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1axx n TYR 74 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1axx s ILE 75 N -2.13 3.57 -0.21 -0.72 2.07 -0.29 -2.51 121.20 120.98 1axx s ILE 75 Ca 0.28 0.63 -0.01 0.00 -1.41 0.00 0.00 60.65 60.14 1axx s ILE 75 Cb 0.20 -3.63 -0.21 0.00 0.13 0.00 0.00 42.46 38.95 1axx s ILE 75 CO 0.38 -0.30 0.00 2.30 -1.91 0.00 0.00 174.94 175.41 1axx n ILE 76 N 6.71 1.60 -3.19 2.00 -5.35 -0.20 -4.97 119.36 115.97 1axx n ILE 76 Ca 0.20 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1axx n ILE 76 Cb 0.45 -1.52 0.00 0.00 -1.74 0.00 0.00 39.64 36.83 1axx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1axx n GLY 77 N 2.15 1.47 3.42 3.28 0.00 -1.07 -2.16 105.19 112.28 1axx n GLY 77 Ca -0.40 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 1axx n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1axx s GLU 78 N -1.28 1.74 0.11 1.61 2.02 -1.26 0.14 118.70 121.79 1axx s GLU 78 Ca 0.00 -2.02 -0.31 0.00 0.02 0.00 0.00 54.97 52.66 1axx s GLU 78 Cb 0.00 -0.36 -0.08 0.00 0.10 0.00 0.00 34.13 33.79 1axx s GLU 78 CO 0.00 -0.44 1.34 -0.51 0.02 0.00 0.00 175.26 175.67 1axx s LEU 79 N -3.48 4.38 0.19 1.80 1.43 -1.04 -0.87 118.68 121.09 1axx s LEU 79 Ca 0.31 2.27 -0.31 0.00 -1.03 0.00 0.00 54.13 55.38 1axx s LEU 79 Cb 0.04 -3.59 -0.16 0.00 0.03 0.00 0.00 46.19 42.51 1axx s LEU 79 CO 0.17 -0.60 0.87 1.57 0.23 0.00 0.00 176.35 178.58 1axx n HIS 80 N 3.79 0.52 0.21 0.29 -0.00 0.78 -4.77 115.22 116.04 1axx n HIS 80 Ca 0.10 0.85 0.05 0.00 0.46 0.00 0.00 57.72 59.18 1axx n HIS 80 Cb 0.43 -2.13 0.47 0.00 -0.12 0.00 0.00 29.99 28.65 1axx n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1axx h PRO 81 N 2.09 0.00 -0.98 1.57 0.13 -1.92 -0.79 132.00 132.11 1axx h PRO 81 Ca -0.38 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.00 1axx h PRO 81 Cb 1.39 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.45 1axx h PRO 81 CO 0.62 0.27 0.65 0.22 -0.23 0.00 0.00 178.00 179.53 1axx h ASP 82 N 0.00 0.32 0.30 1.44 3.58 -1.99 -0.56 116.42 119.50 1axx h ASP 82 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1axx h ASP 82 Cb 0.51 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1axx h ASP 82 CO 0.03 0.10 0.00 0.47 -2.88 0.00 0.00 179.24 176.96 1axx n ASP 83 N -4.48 0.00 -0.38 2.28 8.00 -0.30 -4.00 116.55 117.67 1axx n ASP 83 Ca 0.22 -0.06 0.30 0.00 0.71 0.00 0.00 54.79 55.96 1axx n ASP 83 Cb 0.85 -0.25 0.58 0.00 -0.02 0.00 0.00 41.12 42.29 1axx n ASP 83 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1axx h ARG 84 N 0.00 0.23 -0.03 -1.24 0.11 -1.24 0.15 114.38 112.35 1axx h ARG 84 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1axx h ARG 84 Cb 0.15 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1axx h ARG 84 CO 0.00 0.15 -0.18 -1.13 0.10 0.00 0.00 179.97 178.91 1axx n SER 85 N -4.64 2.22 0.00 0.08 3.41 -1.26 -4.67 113.62 108.77 1axx n SER 85 Ca 0.31 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1axx n SER 85 Cb 1.14 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1axx n SER 85 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1axx n LYS 86 N -1.25 1.71 -1.63 4.33 4.81 0.43 -4.99 118.16 121.56 1axx n LYS 86 Ca 0.18 0.00 -0.52 0.00 -0.87 0.00 0.00 58.31 57.10 1axx n LYS 86 Cb 0.69 -0.89 -0.06 0.00 0.02 0.00 0.00 35.03 34.79 1axx n LYS 86 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1axx n ILE 87 N -1.95 0.38 -3.51 3.15 2.08 -0.64 -4.89 119.36 113.98 1axx n ILE 87 Ca 0.00 -0.13 -0.03 0.00 0.56 0.00 0.00 62.75 63.14 1axx n ILE 87 Cb 0.39 -1.60 0.01 0.00 -0.75 0.00 0.00 39.64 37.70 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1axx n ALA 88 N 7.16 -1.07 -3.82 -1.39 0.00 -1.26 -5.07 120.51 115.06 1axx n ALA 88 Ca 0.29 -0.57 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 1axx n ALA 88 Cb 0.22 0.40 -0.11 0.00 0.00 0.00 0.00 19.45 19.97 1axx n ALA 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1axx s LYS 89 N -2.04 2.50 0.00 0.00 2.20 -1.26 -5.10 119.74 116.04 1axx s LYS 89 Ca 0.09 -2.89 0.00 0.00 -0.36 0.00 0.00 55.97 52.82 1axx s LYS 89 Cb -0.02 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1axx s LYS 89 CO 0.04 -1.20 0.00 -0.35 -0.36 0.00 0.00 175.35 173.49 1axx n PRO 90 N 2.81 -0.30 -1.40 4.03 -0.04 -1.26 -4.87 135.00 133.98 1axx n PRO 90 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1axx n PRO 90 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 1axx n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1axx n SER 91 N -2.65 3.21 -0.02 3.54 3.41 -1.26 -4.56 113.62 115.28 1axx n SER 91 Ca 0.00 -2.74 -0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1axx n SER 91 Cb 0.00 -1.35 -0.00 0.00 -0.26 0.00 0.00 64.21 62.60 1axx n SER 91 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1axx h GLU 92 N 7.02 0.00 0.00 4.33 5.08 -2.02 -3.50 114.58 125.49 1axx h GLU 92 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1axx h GLU 92 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1axx h GLU 92 CO 1.92 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 180.18 1axx n THR 93 N -2.95 0.00 -0.58 1.13 -2.24 -1.26 -5.31 114.28 103.07 1axx n THR 93 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1axx n THR 93 Cb 0.02 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1axx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39