#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axx s LYS 2 N 0.00 1.20 1.08 -1.24 1.02 -1.26 -5.18 119.74 115.36 2axx s LYS 2 Ca 0.00 -0.24 -0.17 0.00 0.02 0.00 0.00 55.97 55.58 2axx s LYS 2 Cb 0.00 0.56 0.24 0.00 -0.52 0.00 0.00 37.83 38.11 2axx s LYS 2 CO 0.00 -0.48 1.21 0.34 -0.92 0.00 0.00 175.35 175.50 2axx s ASP 3 N -2.25 2.05 0.00 2.83 -1.08 -1.26 -5.10 116.67 111.86 2axx s ASP 3 Ca -0.03 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 2axx s ASP 3 Cb -0.01 -0.63 0.00 0.00 -1.46 0.00 0.00 42.92 40.82 2axx s ASP 3 CO -0.06 -3.41 0.00 0.55 0.52 0.00 0.00 175.17 172.77 2axx n VAL 4 N -4.25 0.00 -2.36 1.11 3.14 -1.26 -4.90 118.33 109.80 2axx n VAL 4 Ca 0.14 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.09 2axx n VAL 4 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 2axx n VAL 4 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2axx n LYS 5 N 0.00 3.50 -4.39 1.45 4.01 -1.26 -4.96 118.16 116.51 2axx n LYS 5 Ca 0.00 -3.47 -0.34 0.00 -0.51 0.00 0.00 58.31 53.99 2axx n LYS 5 Cb 0.00 -2.99 -0.11 0.00 -0.51 0.00 0.00 35.03 31.42 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 0.94 3.08 0.02 2.13 2.02 -1.26 -0.17 117.35 124.12 2axx s TYR 6 Ca 0.41 -0.03 0.06 0.00 -0.37 0.00 0.00 57.07 57.15 2axx s TYR 6 Cb 0.08 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2axx s TYR 6 CO -0.00 0.23 -0.18 0.71 -1.57 0.00 0.00 175.55 174.73 2axx s TYR 7 N -0.29 1.62 0.24 2.71 2.02 0.19 -4.91 117.35 118.93 2axx s TYR 7 Ca 0.06 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 2axx s TYR 7 Cb -0.12 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 2axx s TYR 7 CO 0.02 0.04 0.37 0.95 -1.57 0.00 0.00 175.55 175.36 2axx s THR 8 N -0.69 5.25 0.14 -0.71 -4.23 -1.26 -0.27 115.64 113.87 2axx s THR 8 Ca 0.06 -0.95 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 2axx s THR 8 Cb -0.08 -3.86 -0.00 0.00 1.34 0.00 0.00 72.50 69.90 2axx s THR 8 CO 0.01 -0.34 1.64 -0.07 -0.54 0.00 0.00 174.62 175.32 2axx h LEU 9 N 1.17 -0.72 -0.59 4.79 -0.00 -1.98 0.58 115.31 118.56 2axx h LEU 9 Ca -0.52 0.12 0.11 0.00 -0.00 0.00 0.00 57.88 57.59 2axx h LEU 9 Cb 1.23 0.33 -0.12 0.00 -0.00 0.00 0.00 40.66 42.10 2axx h LEU 9 CO 0.61 -0.28 -0.30 -0.33 -0.00 0.00 0.00 178.44 178.15 2axx h GLU 10 N -0.28 -0.13 0.49 1.13 3.07 -1.98 0.25 114.58 117.12 2axx h GLU 10 Ca 0.11 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2axx h GLU 10 Cb 0.44 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2axx h GLU 10 CO -0.32 -0.09 -0.23 1.49 -1.40 0.00 0.00 179.01 178.46 2axx h GLU 11 N -0.14 -0.63 -0.99 2.33 4.81 -1.72 -0.63 114.58 117.62 2axx h GLU 11 Ca 0.25 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.66 2axx h GLU 11 Cb 0.54 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.98 2axx h GLU 11 CO -0.67 -0.37 0.62 0.82 -0.73 0.00 0.00 179.01 178.68 2axx h ILE 12 N -0.76 0.87 -0.64 2.32 2.04 -0.53 0.22 117.51 121.03 2axx h ILE 12 Ca -0.07 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 2axx h ILE 12 Cb 0.55 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2axx h ILE 12 CO 0.11 0.16 0.04 -0.61 0.00 0.00 0.00 178.15 177.85 2axx h GLN 13 N 0.90 1.10 -0.27 2.37 4.15 -0.24 -2.56 115.11 120.57 2axx h GLN 13 Ca 0.50 -0.33 -0.12 0.00 0.77 0.00 0.00 58.65 59.47 2axx h GLN 13 Cb 0.60 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2axx h GLN 13 CO -0.27 1.05 -0.33 0.87 -1.93 0.00 0.00 178.83 178.21 2axx h LYS 14 N 1.01 0.57 -4.71 1.69 1.57 0.62 -3.32 116.57 114.00 2axx h LYS 14 Ca 0.19 -0.26 -0.62 0.00 -1.87 0.00 0.00 60.65 58.09 2axx h LYS 14 Cb 0.53 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2axx h LYS 14 CO 0.03 0.83 2.31 0.72 -0.57 0.00 0.00 179.45 182.77 2axx n HIS 15 N -4.07 2.88 0.09 -1.35 8.25 0.57 -3.91 115.22 117.68 2axx n HIS 15 Ca -0.01 -2.22 0.00 0.00 -0.26 0.00 0.00 57.72 55.23 2axx n HIS 15 Cb 0.47 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.35 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 7.17 0.00 -1.56 -0.41 0.00 -0.86 -3.36 118.16 119.14 2axx n LYS 16 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.57 2axx n LYS 16 Cb 0.42 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.61 2axx n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2axx n ASP 17 N -3.01 0.11 -1.99 3.14 9.92 -1.25 -3.18 116.55 120.29 2axx n ASP 17 Ca 0.00 -1.41 -0.17 0.00 -0.53 0.00 0.00 54.79 52.68 2axx n ASP 17 Cb 0.00 -0.82 -0.00 0.00 -0.64 0.00 0.00 41.12 39.66 2axx n ASP 17 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2axx n SER 18 N -3.67 -5.01 -3.40 -2.24 2.88 -1.26 -3.03 113.62 97.88 2axx n SER 18 Ca 0.13 -0.04 -0.17 0.00 -1.33 0.00 0.00 58.87 57.47 2axx n SER 18 Cb 0.47 -4.08 0.08 0.00 -0.75 0.00 0.00 64.21 59.93 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 -2.71 -5.66 -3.25 -1.46 3.00 -1.26 -5.00 118.16 101.83 2axx n LYS 19 Ca -0.19 0.84 -0.25 0.00 -0.00 0.00 0.00 58.31 58.72 2axx n LYS 19 Cb 0.65 -5.83 -0.08 0.00 0.00 0.00 0.00 35.03 29.77 2axx n LYS 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2axx n SER 20 N -3.15 0.55 -4.55 3.14 3.41 -1.17 -4.95 113.62 106.90 2axx n SER 20 Ca -0.24 -2.75 -0.40 0.00 -0.26 0.00 0.00 58.87 55.22 2axx n SER 20 Cb 0.66 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 2axx n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2axx s THR 21 N -1.19 3.57 0.33 6.66 2.01 -1.24 -2.02 115.64 123.76 2axx s THR 21 Ca 0.35 0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.72 2axx s THR 21 Cb 0.15 -4.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2axx s THR 21 CO -0.11 -1.47 0.45 0.26 -0.69 0.00 0.00 174.62 173.06 2axx s TRP 22 N 7.12 3.11 -0.20 4.92 0.52 -1.21 -1.91 118.94 131.29 2axx s TRP 22 Ca 0.48 -0.22 -0.18 0.00 0.02 0.00 0.00 56.10 56.21 2axx s TRP 22 Cb -0.10 -1.96 0.05 0.00 -1.15 0.00 0.00 33.47 30.32 2axx s TRP 22 CO 0.17 0.03 0.52 0.14 0.02 0.00 0.00 176.95 177.83 2axx s VAL 23 N -2.18 -0.00 -1.00 4.03 -7.23 -0.63 0.02 120.40 113.41 2axx s VAL 23 Ca 0.44 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.49 2axx s VAL 23 Cb -0.09 -0.73 0.23 0.00 0.56 0.00 0.00 36.38 36.35 2axx s VAL 23 CO 0.31 0.00 1.02 0.27 -0.31 0.00 0.00 175.10 176.39 2axx s ILE 24 N 0.37 5.62 -0.39 -0.62 -4.36 -0.87 -1.28 121.20 119.66 2axx s ILE 24 Ca -0.01 -2.79 -0.22 0.00 -0.26 0.00 0.00 60.65 57.37 2axx s ILE 24 Cb -0.04 -4.61 0.01 0.00 1.25 0.00 0.00 42.46 39.07 2axx s ILE 24 CO -0.00 -1.21 0.71 -0.76 0.24 0.00 0.00 174.94 173.91 2axx s LEU 25 N 0.00 4.26 0.00 0.37 1.43 -1.13 -4.06 118.68 119.55 2axx s LEU 25 Ca 0.28 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2axx s LEU 25 Cb -0.09 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2axx s LEU 25 CO -0.08 -0.73 0.00 1.41 0.23 0.00 0.00 176.35 177.18 2axx n HIS 26 N 6.33 -1.07 -0.95 0.29 8.25 -1.26 -3.75 115.22 123.05 2axx n HIS 26 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2axx n HIS 26 Cb 0.48 0.19 -0.16 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 -0.33 0.00 -3.63 4.41 8.25 -1.26 -4.74 115.22 117.92 2axx n HIS 27 Ca 0.00 -1.43 -0.10 0.00 -0.26 0.00 0.00 57.72 55.93 2axx n HIS 27 Cb 0.00 -1.54 -0.07 0.00 1.12 0.00 0.00 29.99 29.50 2axx n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2axx s LYS 28 N 1.07 0.55 -0.21 -0.41 -2.85 -1.25 -4.45 119.74 112.19 2axx s LYS 28 Ca 0.64 0.60 -0.11 0.00 -1.00 0.00 0.00 55.97 56.09 2axx s LYS 28 Cb 0.30 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 2axx s LYS 28 CO 0.00 -0.08 0.17 0.08 0.10 0.00 0.00 175.35 175.62 2axx s VAL 29 N 0.12 5.38 -0.08 1.79 1.01 0.26 -2.82 120.40 126.06 2axx s VAL 29 Ca 0.02 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2axx s VAL 29 Cb -0.05 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2axx s VAL 29 CO -0.05 0.40 -0.13 -0.31 0.00 0.00 0.00 175.10 175.02 2axx s TYR 30 N 0.60 2.77 -0.25 5.22 2.02 -0.41 -2.06 117.35 125.24 2axx s TYR 30 Ca 0.09 -0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.42 2axx s TYR 30 Cb -0.12 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 2axx s TYR 30 CO 0.01 0.09 0.16 0.34 -1.57 0.00 0.00 175.55 174.57 2axx s ASP 31 N -0.41 6.00 -0.08 2.29 -1.08 -0.86 -1.61 116.67 120.92 2axx s ASP 31 Ca 0.05 0.06 0.12 0.00 -0.52 0.00 0.00 52.55 52.26 2axx s ASP 31 Cb -0.12 -2.09 0.19 0.00 -1.46 0.00 0.00 42.92 39.44 2axx s ASP 31 CO 0.02 0.04 1.08 0.18 0.52 0.00 0.00 175.17 177.00 2axx n LEU 32 N 4.49 1.93 -0.35 -1.34 4.77 -0.80 -4.80 117.00 120.89 2axx n LEU 32 Ca -0.15 -2.52 0.10 0.00 -0.03 0.00 0.00 56.01 53.41 2axx n LEU 32 Cb 0.52 -0.28 0.28 0.00 -2.33 0.00 0.00 43.42 41.61 2axx n LEU 32 CO 0.34 0.59 1.21 0.74 -1.33 0.00 0.00 177.39 178.94 2axx h THR 33 N 0.90 0.80 -0.44 -5.08 2.02 -1.82 0.10 112.91 109.40 2axx h THR 33 Ca 0.00 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 2axx h THR 33 Cb 0.94 -0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 2axx h THR 33 CO 0.00 0.16 0.07 0.29 0.37 0.00 0.00 175.52 176.40 2axx n LYS 34 N -4.71 3.05 0.00 6.66 5.02 -1.26 -4.28 118.16 122.65 2axx n LYS 34 Ca 0.21 -3.00 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 2axx n LYS 34 Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 -0.47 0.00 0.02 2.13 7.35 0.29 -4.78 117.46 122.00 2axx n PHE 35 Ca 0.30 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.86 2axx n PHE 35 Cb 1.09 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.84 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 0.13 -1.38 -0.24 -2.13 3.38 -1.54 0.20 115.31 113.71 2axx h LEU 36 Ca 0.00 0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 2axx h LEU 36 Cb 0.03 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2axx h LEU 36 CO 0.00 -0.41 -0.44 -0.33 0.09 0.00 0.00 178.44 177.34 2axx h GLU 37 N -0.51 0.73 -0.97 1.13 5.08 -1.89 -2.85 114.58 115.30 2axx h GLU 37 Ca 0.02 -0.46 0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2axx h GLU 37 Cb 0.57 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 2axx h GLU 37 CO -0.33 1.08 0.62 0.93 -1.00 0.00 0.00 179.01 180.32 2axx h GLU 38 N 0.46 0.99 -6.03 2.33 5.08 -1.78 -3.43 114.58 112.19 2axx h GLU 38 Ca 0.01 -0.06 -0.71 0.00 -1.00 0.00 0.00 59.36 57.60 2axx h GLU 38 Cb 1.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2axx h GLU 38 CO 0.10 0.65 1.26 1.58 -1.00 0.00 0.00 179.01 181.60 2axx n HIS 39 N -4.55 1.64 -2.08 4.33 -0.00 0.66 -4.79 115.22 110.42 2axx n HIS 39 Ca 0.17 0.45 -0.28 0.00 0.46 0.00 0.00 57.72 58.51 2axx n HIS 39 Cb 0.29 -2.46 -0.06 0.00 -0.12 0.00 0.00 29.99 27.64 2axx n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2axx s PRO 40 N 5.45 2.55 0.00 1.57 0.04 -1.26 -0.82 135.00 142.53 2axx s PRO 40 Ca 1.09 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 61.04 2axx s PRO 40 Cb -1.05 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 28.26 2axx s PRO 40 CO 0.57 -3.86 0.00 0.41 0.04 0.00 0.00 177.00 174.16 2axx n GLY 41 N 5.92 1.12 0.00 0.56 0.00 -1.26 -5.16 105.19 106.37 2axx n GLY 41 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 3.13 0.12 -0.02 0.00 -0.00 -4.91 105.19 103.50 2axx n GLY 42 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 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 0.22 0.08 1.61 4.81 -1.78 -3.40 114.58 116.12 2axx h GLU 43 Ca 0.00 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 2axx h GLU 43 Cb 0.00 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2axx h GLU 43 CO 0.00 1.18 -0.23 1.49 -0.73 0.00 0.00 179.01 180.72 2axx h GLU 44 N -0.42 -0.38 -0.25 1.92 4.81 -1.91 0.15 114.58 118.50 2axx h GLU 44 Ca -0.26 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 2axx h GLU 44 Cb 1.65 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 2axx h GLU 44 CO 0.05 -0.26 0.25 -0.24 -0.73 0.00 0.00 179.01 178.08 2axx h VAL 45 N -0.40 0.52 -0.01 0.32 3.04 -1.91 0.42 116.25 118.23 2axx h VAL 45 Ca 0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.71 2axx h VAL 45 Cb 0.44 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2axx h VAL 45 CO -0.15 0.00 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.27 2axx h LEU 46 N 0.00 0.07 -0.33 3.16 3.38 -1.00 -3.32 115.31 117.27 2axx h LEU 46 Ca 0.12 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2axx h LEU 46 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2axx h LEU 46 CO -0.00 0.79 0.00 0.54 0.09 0.00 0.00 178.44 179.86 2axx n ARG 47 N -4.68 0.14 -0.26 1.13 1.74 0.03 -3.46 116.66 111.31 2axx n ARG 47 Ca -0.09 0.30 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 2axx n ARG 47 Cb 0.39 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 2axx n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2axx h GLU 48 N 0.00 -0.19 0.00 5.56 4.39 -0.38 -3.35 114.58 120.61 2axx h GLU 48 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2axx h GLU 48 Cb 0.42 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2axx h GLU 48 CO 0.00 -0.12 -0.23 1.04 -1.16 0.00 0.00 179.01 178.53 2axx n GLN 49 N -5.19 0.12 -1.30 2.33 1.13 -1.26 -5.11 117.38 108.11 2axx n GLN 49 Ca -0.01 0.05 0.15 0.00 -1.94 0.00 0.00 57.00 55.25 2axx n GLN 49 Cb 0.29 -0.69 -0.07 0.00 0.11 0.00 0.00 30.24 29.87 2axx n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2axx n ALA 50 N -2.98 -3.40 -4.23 -1.58 0.00 -1.22 -4.87 120.51 102.23 2axx n ALA 50 Ca -0.03 0.74 -0.35 0.00 0.00 0.00 0.00 53.44 53.80 2axx n ALA 50 Cb 0.12 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 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 -4.09 -0.33 3.99 0.00 0.00 0.10 -4.87 105.19 99.99 2axx n GLY 51 Ca -0.07 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2axx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2axx s GLY 52 N -4.15 -0.14 -0.99 -0.02 0.00 -1.26 -3.97 107.32 96.79 2axx s GLY 52 Ca 0.14 0.05 -0.24 0.00 0.00 0.00 0.00 44.72 44.67 2axx s GLY 52 CO 0.99 5.62 1.92 -0.35 0.00 0.00 0.00 173.10 181.28 2axx s ASP 53 N -3.80 5.18 0.00 1.64 2.15 -1.26 -2.05 116.67 118.53 2axx s ASP 53 Ca 0.29 -1.00 0.26 0.00 0.43 0.00 0.00 52.55 52.54 2axx s ASP 53 Cb -0.00 -2.57 1.28 0.00 -0.30 0.00 0.00 42.92 41.33 2axx s ASP 53 CO -0.01 -2.78 1.86 0.00 -0.17 0.00 0.00 175.17 174.08 2axx n ALA 54 N 13.84 2.61 -0.14 3.66 0.00 -1.26 -4.31 120.51 134.92 2axx n ALA 54 Ca 0.41 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 2axx n ALA 54 Cb 0.47 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 1.19 0.44 -0.73 0.00 2.02 -1.85 0.32 112.91 114.30 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 0.26 0.44 -0.12 0.00 -1.74 0.00 0.00 68.15 66.98 2axx h THR 55 CO 0.00 0.00 0.03 -0.08 0.37 0.00 0.00 175.52 175.84 2axx h GLU 56 N -0.07 0.12 -0.14 6.66 4.81 -1.95 0.39 114.58 124.40 2axx h GLU 56 Ca 0.22 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2axx h GLU 56 Cb 0.41 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2axx h GLU 56 CO -0.50 0.08 -0.31 -0.97 -0.73 0.00 0.00 179.01 176.58 2axx h ASN 57 N 0.13 0.51 -0.01 1.04 -0.73 -1.53 0.60 115.58 115.59 2axx h ASN 57 Ca 0.40 -0.57 -0.01 0.00 1.87 0.00 0.00 56.30 57.99 2axx h ASN 57 Cb 0.69 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 2axx h ASN 57 CO -0.62 0.99 -0.02 0.15 -0.37 0.00 0.00 177.43 177.56 2axx h PHE 58 N 0.06 0.09 0.25 0.67 3.04 -0.18 -2.86 116.94 118.00 2axx h PHE 58 Ca 0.00 -0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.61 2axx h PHE 58 Cb 0.91 -0.03 0.04 0.00 2.56 0.00 0.00 35.95 39.43 2axx h PHE 58 CO 0.10 0.11 -1.49 0.93 -2.02 0.00 0.00 178.31 175.95 2axx h GLU 59 N 0.09 0.53 -0.72 1.11 4.39 -0.01 -2.76 114.58 117.22 2axx h GLU 59 Ca 0.02 -0.91 0.13 0.00 0.34 0.00 0.00 59.36 58.95 2axx h GLU 59 Cb 0.10 0.34 -0.13 0.00 -0.10 0.00 0.00 28.75 28.95 2axx h GLU 59 CO 0.00 1.43 -0.26 0.22 -1.16 0.00 0.00 179.01 179.25 2axx h ASP 60 N 0.14 -0.94 0.58 1.42 1.82 -0.66 0.22 116.42 119.00 2axx h ASP 60 Ca -0.26 0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 2axx h ASP 60 Cb 2.17 0.54 -0.01 0.00 0.68 0.00 0.00 39.33 42.70 2axx h ASP 60 CO 0.27 -0.27 -0.26 -0.37 -1.61 0.00 0.00 179.24 177.00 2axx h VAL 61 N -0.06 0.81 -5.70 2.25 -1.51 -1.59 -3.48 116.25 106.97 2axx h VAL 61 Ca 0.31 -1.05 -0.31 0.00 -1.23 0.00 0.00 66.70 64.42 2axx h VAL 61 Cb 0.56 1.64 0.16 0.00 -2.13 0.00 0.00 31.29 31.52 2axx h VAL 61 CO -0.76 0.25 -0.88 0.61 -1.23 0.00 0.00 177.57 175.57 2axx n GLY 62 N -0.27 -1.04 3.39 5.19 0.00 0.76 -4.88 105.19 108.34 2axx n GLY 62 Ca -0.01 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.58 -1.55 -0.80 1.61 8.25 -1.24 -4.98 115.22 112.93 2axx n HIS 63 Ca -0.10 0.31 -0.30 0.00 -0.26 0.00 0.00 57.72 57.37 2axx n HIS 63 Cb 0.62 -1.83 0.17 0.00 1.12 0.00 0.00 29.99 30.07 2axx n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2axx s SER 64 N -1.43 2.79 0.21 0.41 0.01 -1.26 -4.90 113.70 109.52 2axx s SER 64 Ca 0.61 1.92 -0.10 0.00 1.31 0.00 0.00 55.95 59.69 2axx s SER 64 Cb -0.33 -2.46 0.18 0.00 0.21 0.00 0.00 66.02 63.62 2axx s SER 64 CO 0.62 -3.14 1.86 0.74 0.41 0.00 0.00 173.24 173.73 2axx h THR 65 N -1.89 1.12 -0.59 1.44 2.02 -2.01 -2.56 112.91 110.44 2axx h THR 65 Ca -0.48 -0.31 0.11 0.00 0.77 0.00 0.00 66.41 66.50 2axx h THR 65 Cb 1.28 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 67.72 2axx h THR 65 CO 0.46 0.16 -0.30 0.44 0.37 0.00 0.00 175.52 176.66 2axx h ASP 66 N 0.90 -1.03 -0.97 4.18 5.19 -2.00 0.01 116.42 122.69 2axx h ASP 66 Ca 0.28 0.22 0.14 0.00 -0.62 0.00 0.00 57.03 57.05 2axx h ASP 66 Cb -0.02 0.53 -0.09 0.00 0.18 0.00 0.00 39.33 39.93 2axx h ASP 66 CO -0.09 -0.29 0.59 0.00 -3.12 0.00 0.00 179.24 176.33 2axx h ALA 67 N 1.13 1.50 -0.93 3.45 0.00 -1.82 0.26 119.26 122.85 2axx h ALA 67 Ca 0.25 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.31 2axx h ALA 67 Cb 0.54 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2axx h ALA 67 CO -0.67 0.11 0.56 0.00 0.00 0.00 0.00 179.25 179.25 2axx h ARG 68 N 0.88 0.88 0.14 0.00 3.08 -0.91 0.18 114.38 118.62 2axx h ARG 68 Ca 0.51 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 60.31 2axx h ARG 68 Cb 0.60 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.47 2axx h ARG 68 CO -0.31 0.58 -0.87 0.93 -1.07 0.00 0.00 179.97 179.23 2axx h GLU 69 N 0.90 0.29 -0.95 0.04 4.39 -0.83 -3.28 114.58 115.14 2axx h GLU 69 Ca 0.46 -0.50 0.10 0.00 0.34 0.00 0.00 59.36 59.76 2axx h GLU 69 Cb 0.45 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2axx h GLU 69 CO -0.26 1.24 0.61 1.25 -1.16 0.00 0.00 179.01 180.68 2axx h LEU 70 N -0.37 0.88 -0.61 1.33 5.85 -0.37 0.13 115.31 122.14 2axx h LEU 70 Ca -0.16 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.70 2axx h LEU 70 Cb 1.65 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.44 2axx h LEU 70 CO 0.14 0.51 0.16 0.77 -0.34 0.00 0.00 178.44 179.68 2axx h SER 71 N 0.97 0.06 -0.67 1.25 4.64 -0.74 -1.47 113.55 117.58 2axx h SER 71 Ca 0.44 0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.96 2axx h SER 71 Cb 0.39 0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.54 2axx h SER 71 CO -0.20 0.04 0.30 0.50 -0.87 0.00 0.00 176.83 176.60 2axx h LYS 72 N 0.30 0.50 -0.10 4.77 3.64 -0.81 0.40 116.57 125.26 2axx h LYS 72 Ca 0.32 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2axx h LYS 72 Cb 0.46 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2axx h LYS 72 CO -0.38 0.33 0.14 1.15 -2.27 0.00 0.00 179.45 178.41 2axx h THR 73 N 0.51 0.40 -0.33 1.00 2.02 -1.02 -0.80 112.91 114.69 2axx h THR 73 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.52 2axx h THR 73 Cb 0.39 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2axx h THR 73 CO -0.29 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.38 2axx n TYR 74 N -3.67 0.42 -2.16 3.16 4.01 0.13 -4.96 117.16 114.10 2axx n TYR 74 Ca -0.00 -0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.08 2axx n TYR 74 Cb 0.24 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.45 3.79 -0.19 -0.72 2.07 -0.31 -2.02 121.20 122.37 2axx s ILE 75 Ca 0.35 1.00 -0.12 0.00 -1.41 0.00 0.00 60.65 60.48 2axx s ILE 75 Cb 0.21 -3.65 -0.20 0.00 0.13 0.00 0.00 42.46 38.95 2axx s ILE 75 CO 0.29 -0.07 0.12 2.30 -1.91 0.00 0.00 174.94 175.67 2axx n ILE 76 N 5.32 1.62 -2.11 2.00 -5.35 -0.87 -4.94 119.36 115.03 2axx n ILE 76 Ca 0.16 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2axx n ILE 76 Cb 0.43 -1.82 0.00 0.00 -1.74 0.00 0.00 39.64 36.52 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 1.73 1.84 3.18 3.28 0.00 -1.18 -4.83 105.19 109.21 2axx n GLY 77 Ca -0.37 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2axx n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2axx s GLU 78 N 1.46 0.85 0.15 1.61 -1.05 0.76 -0.57 118.70 121.91 2axx s GLU 78 Ca 0.00 -1.33 -0.31 0.00 -0.15 0.00 0.00 54.97 53.18 2axx s GLU 78 Cb 0.00 -0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.34 2axx s GLU 78 CO 0.00 -0.00 1.38 -1.17 0.95 0.00 0.00 175.26 176.41 2axx s LEU 79 N -3.00 4.38 0.11 1.83 2.96 -1.26 -0.64 118.68 123.07 2axx s LEU 79 Ca 0.12 2.38 -0.33 0.00 -0.22 0.00 0.00 54.13 56.08 2axx s LEU 79 Cb 0.04 -3.60 -0.18 0.00 0.50 0.00 0.00 46.19 42.95 2axx s LEU 79 CO -0.04 -0.63 0.77 1.57 -1.32 0.00 0.00 176.35 176.70 2axx n HIS 80 N 3.45 0.02 0.18 5.38 -0.00 0.62 -4.47 115.22 120.41 2axx n HIS 80 Ca 0.10 1.00 0.05 0.00 -0.00 0.00 0.00 57.72 58.87 2axx n HIS 80 Cb 0.42 -2.02 0.50 0.00 -0.00 0.00 0.00 29.99 28.89 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 1.89 0.12 -0.50 1.57 0.13 -1.91 0.21 132.00 133.51 2axx h PRO 81 Ca -0.38 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.82 2axx h PRO 81 Cb 1.43 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.44 2axx h PRO 81 CO 0.61 0.20 -0.31 0.22 -0.23 0.00 0.00 178.00 178.48 2axx h ASP 82 N 0.12 -1.07 0.12 1.44 3.58 -2.00 0.13 116.42 118.74 2axx h ASP 82 Ca 0.03 0.21 -0.22 0.00 0.42 0.00 0.00 57.03 57.47 2axx h ASP 82 Cb 0.21 0.53 0.02 0.00 1.72 0.00 0.00 39.33 41.81 2axx h ASP 82 CO 0.01 -0.30 -0.92 -0.78 -2.88 0.00 0.00 179.24 174.36 2axx h ASP 83 N -0.19 0.60 -0.40 2.28 3.58 -1.61 -3.25 116.42 117.43 2axx h ASP 83 Ca 0.21 -0.88 0.12 0.00 0.42 0.00 0.00 57.03 56.89 2axx h ASP 83 Cb 0.54 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2axx h ASP 83 CO -0.61 1.43 0.35 -0.09 -2.88 0.00 0.00 179.24 177.45 2axx h ARG 84 N -0.14 0.00 0.00 0.28 2.43 -0.71 0.19 114.38 116.44 2axx h ARG 84 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2axx h ARG 84 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 2axx h ARG 84 CO 0.18 0.00 0.00 1.03 -1.51 0.00 0.00 179.97 179.67 2axx h SER 85 N 0.00 0.00 -1.15 -3.80 0.87 -0.78 -3.40 113.55 105.29 2axx h SER 85 Ca 0.19 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.37 2axx h SER 85 Cb 0.89 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.54 2axx h SER 85 CO -0.00 0.00 -0.93 1.17 -0.53 0.00 0.00 176.83 176.54 2axx n LYS 86 N -2.94 1.03 0.05 2.24 4.81 0.66 -4.98 118.16 119.02 2axx n LYS 86 Ca 0.04 -2.85 -0.11 0.00 -0.87 0.00 0.00 58.31 54.52 2axx n LYS 86 Cb 0.47 -1.32 -0.08 0.00 0.02 0.00 0.00 35.03 34.12 2axx n LYS 86 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2axx h ILE 87 N 1.92 0.93 -1.02 3.15 5.03 -1.72 -3.48 117.51 122.32 2axx h ILE 87 Ca -0.01 -1.13 0.00 0.00 -0.12 0.00 0.00 64.86 63.59 2axx h ILE 87 Cb 1.06 1.54 0.00 0.00 -3.03 0.00 0.00 36.82 36.40 2axx h ILE 87 CO 0.36 0.23 0.00 0.00 -0.68 0.00 0.00 178.15 178.06 2axx n ALA 88 N -2.53 0.00 -3.26 1.87 0.00 -1.26 -4.99 120.51 110.34 2axx n ALA 88 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 2axx n ALA 88 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.29 -1.77 -2.09 0.00 4.81 -1.26 -4.88 118.16 112.68 2axx n LYS 89 Ca 0.00 1.48 -0.42 0.00 -0.87 0.00 0.00 58.31 58.50 2axx n LYS 89 Cb 0.00 -4.25 -0.03 0.00 0.02 0.00 0.00 35.03 30.77 2axx n LYS 89 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2axx s PRO 90 N -3.24 4.29 -0.56 1.64 0.04 -1.26 -4.96 135.00 130.95 2axx s PRO 90 Ca 0.14 2.17 -0.23 0.00 0.04 0.00 0.00 61.00 63.12 2axx s PRO 90 Cb -0.03 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.36 2axx s PRO 90 CO 0.81 -0.47 0.90 -1.54 0.04 0.00 0.00 177.00 176.75 2axx s SER 91 N 0.99 6.30 -0.16 6.66 1.04 -1.26 -5.03 113.70 122.24 2axx s SER 91 Ca 0.65 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 2axx s SER 91 Cb -0.39 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.30 2axx s SER 91 CO 0.32 -1.21 -0.10 -1.61 0.98 0.00 0.00 173.24 171.62 2axx s GLU 92 N 3.80 3.38 0.18 4.02 2.02 -1.26 -5.04 118.70 125.80 2axx s GLU 92 Ca 0.27 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2axx s GLU 92 Cb -0.14 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 2axx s GLU 92 CO 0.17 0.08 0.07 -0.08 0.02 0.00 0.00 175.26 175.52 2axx s THR 93 N 0.72 0.30 -2.96 3.63 -1.32 -1.26 -5.21 115.64 109.54 2axx s THR 93 Ca -0.05 -1.97 0.24 0.00 -1.21 0.00 0.00 61.69 58.71 2axx s THR 93 Cb -0.15 -2.30 0.22 0.00 -1.51 0.00 0.00 72.50 68.75 2axx s THR 93 CO 0.02 -0.25 1.29 -0.11 -2.21 0.00 0.00 174.62 173.36