#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 0.00 0.00 0.11 3.00 -1.26 -4.97 118.16 115.04 1axx n LYS 2 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1axx n LYS 2 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1axx n LYS 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1axx n ASP 3 N -1.78 0.00 0.00 3.14 8.00 -1.26 -4.58 116.55 120.07 1axx n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1axx n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1axx n VAL 4 N 0.00 0.00 -2.62 2.53 0.31 -1.26 -5.00 118.33 112.29 1axx n VAL 4 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1axx n VAL 4 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 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 1.13 -1.24 5.55 3.00 -1.25 -4.97 118.16 120.38 1axx n LYS 5 Ca 0.00 -2.12 -0.54 0.00 -0.00 0.00 0.00 58.31 55.65 1axx n LYS 5 Cb 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 35.03 34.58 1axx n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1axx n TYR 6 N -0.72 1.20 -4.63 5.64 4.01 -1.26 -3.98 117.16 117.41 1axx n TYR 6 Ca -0.07 0.79 -0.32 0.00 -0.16 0.00 0.00 57.90 58.14 1axx n TYR 6 Cb 0.86 -1.93 -0.12 0.00 -0.31 0.00 0.00 39.34 37.84 1axx n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1axx s TYR 7 N 4.08 2.72 0.65 -0.72 2.02 0.46 -4.73 117.35 121.82 1axx s TYR 7 Ca 0.97 -0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 57.41 1axx s TYR 7 Cb -1.28 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 38.70 1axx s TYR 7 CO 0.62 0.29 1.05 0.95 -1.57 0.00 0.00 175.55 176.88 1axx s THR 8 N -0.91 4.34 0.08 -0.71 -4.23 -1.26 -0.69 115.64 112.24 1axx s THR 8 Ca 0.15 0.76 -0.35 0.00 -1.18 0.00 0.00 61.69 61.07 1axx s THR 8 Cb -0.11 -3.71 -0.18 0.00 1.34 0.00 0.00 72.50 69.84 1axx s THR 8 CO 0.05 -0.99 1.59 -0.07 -0.54 0.00 0.00 174.62 174.66 1axx h LEU 9 N -0.46 -1.11 -1.69 4.79 -0.00 -1.97 -0.55 115.31 114.32 1axx h LEU 9 Ca -0.44 0.06 0.20 0.00 -0.00 0.00 0.00 57.88 57.70 1axx h LEU 9 Cb 1.21 0.33 -0.05 0.00 -0.00 0.00 0.00 40.66 42.14 1axx h LEU 9 CO 0.62 -0.67 0.57 -0.33 -0.00 0.00 0.00 178.44 178.62 1axx h GLU 10 N -1.07 0.26 0.32 1.13 5.08 -1.95 0.21 114.58 118.56 1axx h GLU 10 Ca -0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1axx h GLU 10 Cb 0.86 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1axx h GLU 10 CO 0.08 0.17 -0.16 1.49 -1.00 0.00 0.00 179.01 179.60 1axx h GLU 11 N 0.26 -0.42 -0.77 2.33 4.57 -1.77 -2.94 114.58 115.84 1axx h GLU 11 Ca 0.42 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.65 1axx h GLU 11 Cb 1.22 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.87 1axx h GLU 11 CO -0.11 -0.09 0.51 0.82 -1.18 0.00 0.00 179.01 178.96 1axx h ILE 12 N -0.88 1.14 0.00 2.32 2.04 -0.14 0.10 117.51 122.09 1axx h ILE 12 Ca -0.04 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1axx h ILE 12 Cb 0.52 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1axx h ILE 12 CO 0.07 0.18 0.00 1.67 0.00 0.00 0.00 178.15 180.07 1axx n GLN 13 N -4.44 0.30 0.01 2.37 7.27 0.64 -2.14 117.38 121.39 1axx n GLN 13 Ca 0.10 0.09 -0.21 0.00 0.07 0.00 0.00 57.00 57.04 1axx n GLN 13 Cb 0.10 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.11 1axx n GLN 13 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1axx h LYS 14 N 0.00 0.23 -3.55 3.69 1.63 -0.61 -3.41 116.57 114.55 1axx h LYS 14 Ca 0.00 -0.39 -0.58 0.00 -0.85 0.00 0.00 60.65 58.82 1axx h LYS 14 Cb 0.19 0.15 0.02 0.00 -0.60 0.00 0.00 32.23 31.99 1axx h LYS 14 CO 0.00 1.19 3.10 0.72 -3.45 0.00 0.00 179.45 181.01 1axx n HIS 15 N -4.02 2.22 0.00 1.91 8.25 -0.91 -3.86 115.22 118.82 1axx n HIS 15 Ca -0.23 -2.53 0.00 0.00 -0.26 0.00 0.00 57.72 54.70 1axx n HIS 15 Cb 0.86 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 29.83 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 4.77 0.00 -0.89 -0.41 2.85 -1.22 -1.31 118.16 121.94 1axx n LYS 16 Ca 0.59 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.73 1axx n LYS 16 Cb 0.26 -0.86 0.07 0.00 -0.65 0.00 0.00 35.03 33.85 1axx n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1axx n ASP 17 N -2.55 0.15 0.00 -5.58 2.03 -1.25 -4.47 116.55 104.88 1axx n ASP 17 Ca 0.00 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 54.06 1axx n ASP 17 Cb 0.47 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1axx n ASP 17 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1axx n SER 18 N -3.26 -0.08 -0.10 1.67 7.64 -1.26 -2.23 113.62 116.00 1axx n SER 18 Ca 0.07 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.09 1axx n SER 18 Cb 0.23 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.00 1axx n SER 18 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1axx n LYS 19 N 0.00 0.57 -1.73 1.43 0.00 -1.26 -4.71 118.16 112.46 1axx n LYS 19 Ca 0.00 -0.20 -0.41 0.00 -0.00 0.00 0.00 58.31 57.69 1axx n LYS 19 Cb 0.00 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.53 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1axx n SER 20 N -1.04 5.54 -4.54 -5.58 2.88 -0.95 -4.59 113.62 105.35 1axx n SER 20 Ca 0.13 -2.83 -0.43 0.00 -1.33 0.00 0.00 58.87 54.41 1axx n SER 20 Cb 0.29 -1.59 -0.04 0.00 -0.75 0.00 0.00 64.21 62.12 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1axx s THR 21 N 2.26 4.45 0.50 2.46 2.01 -1.26 -3.44 115.64 122.62 1axx s THR 21 Ca 0.52 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.97 1axx s THR 21 Cb 0.15 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 68.19 1axx s THR 21 CO -0.07 -0.98 0.72 0.26 -0.69 0.00 0.00 174.62 173.86 1axx s TRP 22 N 3.81 3.06 0.09 4.92 0.52 -0.43 -2.94 118.94 127.97 1axx s TRP 22 Ca 0.32 0.12 -0.14 0.00 0.02 0.00 0.00 56.10 56.42 1axx s TRP 22 Cb -0.12 -2.52 0.02 0.00 -1.15 0.00 0.00 33.47 29.71 1axx s TRP 22 CO 0.22 -0.60 0.34 0.14 0.02 0.00 0.00 176.95 177.07 1axx s VAL 23 N -2.65 0.09 -0.17 4.03 -7.23 -1.08 -0.01 120.40 113.37 1axx s VAL 23 Ca 0.52 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1axx s VAL 23 Cb -0.10 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.70 1axx s VAL 23 CO 0.38 -0.40 -0.16 0.27 -0.31 0.00 0.00 175.10 174.89 1axx s ILE 24 N -3.48 2.50 -0.16 -0.62 -5.25 -0.75 -1.41 121.20 112.03 1axx s ILE 24 Ca 0.01 -0.81 0.00 0.00 -0.99 0.00 0.00 60.65 58.87 1axx s ILE 24 Cb 0.02 -2.07 0.03 0.00 2.95 0.00 0.00 42.46 43.39 1axx s ILE 24 CO -0.09 0.51 -0.14 -0.76 -1.79 0.00 0.00 174.94 172.67 1axx s LEU 25 N 1.12 1.83 -1.21 0.37 1.43 0.30 -2.55 118.68 119.97 1axx s LEU 25 Ca 0.00 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1axx s LEU 25 Cb -0.14 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1axx s LEU 25 CO -0.06 -0.07 0.77 1.41 0.23 0.00 0.00 176.35 178.63 1axx n HIS 26 N 4.74 -2.01 -4.11 0.29 8.25 -1.26 -2.41 115.22 118.71 1axx n HIS 26 Ca -0.17 0.74 -0.30 0.00 -0.26 0.00 0.00 57.72 57.73 1axx n HIS 26 Cb 0.49 -4.08 -0.04 0.00 1.12 0.00 0.00 29.99 27.48 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 -4.05 -1.58 -3.74 4.41 8.25 -1.26 -4.97 115.22 112.28 1axx n HIS 27 Ca -0.20 0.73 -0.13 0.00 -0.26 0.00 0.00 57.72 57.86 1axx n HIS 27 Cb 0.64 -3.32 -0.13 0.00 1.12 0.00 0.00 29.99 28.31 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 -6.83 0.20 -0.16 -0.41 1.02 -1.01 -3.99 119.74 108.56 1axx s LYS 28 Ca 0.20 0.47 -0.15 0.00 0.02 0.00 0.00 55.97 56.52 1axx s LYS 28 Cb -0.11 -0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.06 1axx s LYS 28 CO 0.92 -0.14 0.33 0.08 -0.92 0.00 0.00 175.35 175.62 1axx s VAL 29 N 1.06 5.28 -0.12 3.17 1.01 0.45 -0.54 120.40 130.70 1axx s VAL 29 Ca -0.08 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1axx s VAL 29 Cb -0.09 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1axx s VAL 29 CO -0.07 0.37 -0.21 -0.31 0.00 0.00 0.00 175.10 174.88 1axx s TYR 30 N 0.56 2.52 -0.31 5.22 2.02 -0.50 -1.44 117.35 125.42 1axx s TYR 30 Ca 0.18 -1.19 -0.23 0.00 -0.37 0.00 0.00 57.07 55.46 1axx s TYR 30 Cb -0.13 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 1axx s TYR 30 CO 0.05 -0.53 0.79 0.34 -1.57 0.00 0.00 175.55 174.62 1axx s ASP 31 N 0.70 6.65 -0.11 2.29 -1.08 -0.56 -2.63 116.67 121.92 1axx s ASP 31 Ca -0.11 0.62 0.15 0.00 -0.52 0.00 0.00 52.55 52.69 1axx s ASP 31 Cb -0.16 -2.40 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 1axx s ASP 31 CO 0.01 -0.63 1.21 0.18 0.52 0.00 0.00 175.17 176.46 1axx n LEU 32 N 6.23 2.74 -0.22 -1.34 4.77 -1.15 -4.76 117.00 123.27 1axx n LEU 32 Ca 0.04 -2.84 0.03 0.00 -0.03 0.00 0.00 56.01 53.21 1axx n LEU 32 Cb 0.48 -0.38 0.14 0.00 -2.33 0.00 0.00 43.42 41.33 1axx n LEU 32 CO 0.51 0.67 0.93 0.74 -1.33 0.00 0.00 177.39 178.91 1axx h THR 33 N 0.61 0.59 -0.57 -5.08 2.02 -1.79 0.15 112.91 108.84 1axx h THR 33 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1axx h THR 33 Cb 1.02 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1axx h THR 33 CO 0.06 0.05 0.00 0.29 0.37 0.00 0.00 175.52 176.29 1axx n LYS 34 N -5.13 4.84 0.00 6.66 5.02 -1.26 -4.08 118.16 124.21 1axx n LYS 34 Ca 0.11 -3.12 0.01 0.00 -2.02 0.00 0.00 58.31 53.30 1axx n LYS 34 Cb 0.38 -2.25 -0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1axx n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1axx n PHE 35 N 0.64 0.00 0.02 2.13 7.35 0.42 -4.73 117.46 123.28 1axx n PHE 35 Ca 0.27 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.88 1axx n PHE 35 Cb 1.18 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.96 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 0.14 -0.93 -0.26 -2.13 3.38 -1.43 0.28 115.31 114.35 1axx h LEU 36 Ca 0.00 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1axx h LEU 36 Cb 0.06 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1axx h LEU 36 CO 0.00 -0.28 -0.40 -0.08 0.09 0.00 0.00 178.44 177.77 1axx h GLU 37 N -0.35 0.74 -0.81 1.13 4.81 -1.89 -2.58 114.58 115.64 1axx h GLU 37 Ca 0.01 -0.44 0.12 0.00 -0.13 0.00 0.00 59.36 58.91 1axx h GLU 37 Cb 0.39 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1axx h GLU 37 CO -0.21 1.07 0.53 0.93 -0.73 0.00 0.00 179.01 180.59 1axx h GLU 38 N 0.48 0.64 -6.10 1.92 4.39 -1.79 -3.43 114.58 110.69 1axx h GLU 38 Ca 0.02 -0.04 -0.70 0.00 0.34 0.00 0.00 59.36 58.98 1axx h GLU 38 Cb 1.00 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1axx h GLU 38 CO 0.09 0.42 1.14 1.58 -1.16 0.00 0.00 179.01 181.08 1axx n HIS 39 N -4.52 1.88 -2.09 4.33 -0.00 0.94 -4.80 115.22 110.96 1axx n HIS 39 Ca 0.14 0.40 -0.29 0.00 0.46 0.00 0.00 57.72 58.43 1axx n HIS 39 Cb 0.40 -2.50 -0.06 0.00 -0.12 0.00 0.00 29.99 27.71 1axx n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1axx s PRO 40 N 4.72 2.56 0.00 1.57 0.04 -1.26 -0.52 135.00 142.12 1axx s PRO 40 Ca 1.03 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1axx s PRO 40 Cb -0.98 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 28.30 1axx s PRO 40 CO 0.58 -3.92 0.00 0.41 0.04 0.00 0.00 177.00 174.12 1axx n GLY 41 N 5.77 0.77 0.00 0.56 0.00 -1.26 -5.16 105.19 105.87 1axx n GLY 41 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 2.01 0.10 -0.02 0.00 0.32 -4.86 105.19 102.74 1axx n GLY 42 Ca 0.00 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.74 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 0.04 -0.49 1.61 4.81 -1.74 -3.38 114.58 115.43 1axx h GLU 43 Ca 0.00 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1axx h GLU 43 Cb 0.00 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1axx h GLU 43 CO 0.00 1.03 0.26 1.49 -0.73 0.00 0.00 179.01 181.06 1axx h GLU 44 N -0.89 0.50 -0.97 1.92 4.81 -1.91 0.52 114.58 118.56 1axx h GLU 44 Ca -0.28 -0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.15 1axx h GLU 44 Cb 1.32 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 1axx h GLU 44 CO -0.13 0.33 0.64 -0.39 -0.73 0.00 0.00 179.01 178.73 1axx h VAL 45 N 0.52 0.61 0.13 0.32 -1.51 -1.89 0.26 116.25 114.68 1axx h VAL 45 Ca 0.21 -0.13 -0.30 0.00 -1.23 0.00 0.00 66.70 65.24 1axx h VAL 45 Cb 0.09 0.18 0.03 0.00 -2.13 0.00 0.00 31.29 29.46 1axx h VAL 45 CO -0.13 0.07 -1.26 -0.07 -1.23 0.00 0.00 177.57 174.95 1axx h LEU 46 N 0.39 0.84 -0.17 4.19 -0.00 -0.30 -3.29 115.31 116.96 1axx h LEU 46 Ca 0.52 -0.79 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1axx h LEU 46 Cb 1.34 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1axx h LEU 46 CO -0.22 1.60 0.00 -1.14 -0.00 0.00 0.00 178.44 178.68 1axx n ARG 47 N -3.76 0.12 -0.20 1.13 0.00 0.44 -3.89 116.66 110.50 1axx n ARG 47 Ca -0.13 0.22 -0.11 0.00 -0.00 0.00 0.00 57.85 57.82 1axx n ARG 47 Cb 1.00 -1.68 -0.07 0.00 0.00 0.00 0.00 32.46 31.71 1axx n ARG 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1axx h GLU 48 N 0.00 -0.27 0.00 -0.14 4.39 -0.65 -3.35 114.58 114.56 1axx h GLU 48 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1axx h GLU 48 Cb 0.48 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1axx h GLU 48 CO 0.00 -0.18 -0.51 1.04 -1.16 0.00 0.00 179.01 178.20 1axx n GLN 49 N -5.38 0.27 -1.43 2.33 1.13 -1.26 -5.12 117.38 107.92 1axx n GLN 49 Ca -0.00 0.11 0.18 0.00 -1.94 0.00 0.00 57.00 55.34 1axx n GLN 49 Cb 0.34 -0.94 -0.08 0.00 0.11 0.00 0.00 30.24 29.67 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 -3.60 -3.76 -3.97 -1.58 0.00 -1.25 -4.86 120.51 101.49 1axx n ALA 50 Ca -0.07 0.78 -0.28 0.00 0.00 0.00 0.00 53.44 53.87 1axx n ALA 50 Cb 0.27 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 -4.28 -0.25 0.00 0.00 0.00 0.98 -4.82 105.19 96.83 1axx n GLY 51 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.16 -0.24 3.57 -0.02 0.00 -1.26 -4.13 105.19 100.95 1axx n GLY 52 Ca -0.22 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 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 4.09 0.00 1.61 -4.77 -1.26 -1.82 116.67 114.53 1axx s ASP 53 Ca 0.00 -0.95 0.23 0.00 -3.30 0.00 0.00 52.55 48.53 1axx s ASP 53 Cb 0.00 -2.58 1.39 0.00 -1.09 0.00 0.00 42.92 40.64 1axx s ASP 53 CO 0.00 -3.98 1.85 0.00 0.70 0.00 0.00 175.17 173.74 1axx n ALA 54 N 17.57 2.56 -0.16 2.11 0.00 -1.06 -4.24 120.51 137.30 1axx n ALA 54 Ca 0.43 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.68 1axx n ALA 54 Cb 0.46 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 0.29 -0.99 0.00 2.02 -1.86 0.22 112.91 112.59 1axx h THR 55 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1axx h THR 55 Cb 0.00 0.29 -0.17 0.00 -1.74 0.00 0.00 68.15 66.53 1axx h THR 55 CO 0.00 0.00 -0.35 -0.62 0.37 0.00 0.00 175.52 174.92 1axx n GLU 56 N -5.42 -0.19 -0.03 6.66 4.71 -1.26 -0.07 120.64 125.04 1axx n GLU 56 Ca 0.04 1.52 -0.13 0.00 -0.01 0.00 0.00 57.16 58.58 1axx n GLU 56 Cb 0.33 -2.27 -0.10 0.00 -1.01 0.00 0.00 31.44 28.40 1axx n GLU 56 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1axx h ASN 57 N 0.00 0.11 -0.92 1.62 -0.73 -1.54 0.18 115.58 114.30 1axx h ASN 57 Ca 0.38 -0.56 0.15 0.00 1.87 0.00 0.00 56.30 58.14 1axx h ASN 57 Cb 0.63 -0.03 -0.08 0.00 0.27 0.00 0.00 38.32 39.11 1axx h ASN 57 CO -0.99 0.65 0.59 0.15 -0.37 0.00 0.00 177.43 177.46 1axx h PHE 58 N -0.43 0.86 0.00 0.67 3.57 0.28 -1.80 116.94 120.09 1axx h PHE 58 Ca 0.00 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.28 1axx h PHE 58 Cb 0.63 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1axx h PHE 58 CO 0.12 0.29 -1.57 0.93 -2.23 0.00 0.00 178.31 175.85 1axx h GLU 59 N 0.70 0.00 -0.31 1.11 4.39 -0.48 -2.79 114.58 117.21 1axx h GLU 59 Ca 0.48 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.25 1axx h GLU 59 Cb 0.77 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.35 1axx h GLU 59 CO -0.23 0.45 -0.22 0.22 -1.16 0.00 0.00 179.01 178.06 1axx h ASP 60 N 0.00 -0.74 0.57 1.42 3.58 0.20 0.59 116.42 122.04 1axx h ASP 60 Ca -0.23 0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 1axx h ASP 60 Cb 1.87 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 43.28 1axx h ASP 60 CO 0.07 -0.26 -0.27 -0.37 -2.88 0.00 0.00 179.24 175.53 1axx h VAL 61 N -0.20 0.84 -5.49 2.25 -1.51 -1.54 -3.48 116.25 107.13 1axx h VAL 61 Ca 0.16 -1.08 -0.26 0.00 -1.23 0.00 0.00 66.70 64.29 1axx h VAL 61 Cb 0.44 1.65 0.19 0.00 -2.13 0.00 0.00 31.29 31.45 1axx h VAL 61 CO -0.42 0.26 -0.86 0.61 -1.23 0.00 0.00 177.57 175.93 1axx n GLY 62 N -0.27 -1.14 3.32 5.19 0.00 0.20 -4.87 105.19 107.61 1axx n GLY 62 Ca -0.01 0.57 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.29 -2.17 -0.63 1.61 8.25 -1.21 -4.96 115.22 112.82 1axx n HIS 63 Ca -0.08 0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 57.35 1axx n HIS 63 Cb 0.62 -1.76 0.19 0.00 1.12 0.00 0.00 29.99 30.16 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 0.84 -1.29 -0.14 0.41 3.41 -1.26 -4.86 113.62 110.71 1axx n SER 64 Ca 0.07 0.11 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 1axx n SER 64 Cb 0.51 -1.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.19 1axx n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1axx h THR 65 N -2.14 1.25 -0.51 6.66 1.03 -2.01 -2.76 112.91 114.43 1axx h THR 65 Ca -0.51 -0.97 0.10 0.00 -0.01 0.00 0.00 66.41 65.02 1axx h THR 65 Cb 1.31 1.06 -0.09 0.00 -1.07 0.00 0.00 68.15 69.37 1axx h THR 65 CO 0.42 0.33 -0.01 0.44 -0.01 0.00 0.00 175.52 176.69 1axx h ASP 66 N 0.56 -0.24 -0.78 0.00 5.19 -2.00 -0.32 116.42 118.84 1axx h ASP 66 Ca 0.12 0.13 0.11 0.00 -0.62 0.00 0.00 57.03 56.77 1axx h ASP 66 Cb 0.44 0.23 -0.08 0.00 0.18 0.00 0.00 39.33 40.10 1axx h ASP 66 CO 0.02 -0.08 0.40 0.00 -3.12 0.00 0.00 179.24 176.45 1axx h ALA 67 N 1.46 1.11 -0.12 3.45 0.00 -1.85 0.17 119.26 123.49 1axx h ALA 67 Ca 0.26 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1axx h ALA 67 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1axx h ALA 67 CO -0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 178.73 1axx h ARG 68 N 0.64 -0.03 -0.62 0.00 3.08 -0.86 0.32 114.38 116.91 1axx h ARG 68 Ca 0.40 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.39 1axx h ARG 68 Cb 0.46 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1axx h ARG 68 CO -0.30 -0.02 0.18 0.93 -1.07 0.00 0.00 179.97 179.69 1axx h GLU 69 N -0.03 0.98 -0.49 0.04 4.39 -1.15 -2.31 114.58 116.00 1axx h GLU 69 Ca 0.07 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.56 1axx h GLU 69 Cb 0.13 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1axx h GLU 69 CO -0.14 0.88 0.33 1.25 -1.16 0.00 0.00 179.01 180.16 1axx h LEU 70 N 0.90 0.53 -0.59 1.33 5.85 -0.15 0.13 115.31 123.30 1axx h LEU 70 Ca 0.20 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.02 1axx h LEU 70 Cb 0.32 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 1axx h LEU 70 CO -0.00 0.37 0.12 0.28 -0.34 0.00 0.00 178.44 178.87 1axx h SER 71 N 0.62 -0.01 -0.55 1.25 0.02 0.20 -1.94 113.55 113.13 1axx h SER 71 Ca 0.19 0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.36 1axx h SER 71 Cb 0.01 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.61 1axx h SER 71 CO -0.05 0.01 0.03 0.11 -1.14 0.00 0.00 176.83 175.79 1axx h LYS 72 N 0.25 0.14 -0.31 3.45 6.56 -0.58 0.23 116.57 126.32 1axx h LYS 72 Ca 0.31 -0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.98 1axx h LYS 72 Cb 0.46 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1axx h LYS 72 CO -0.40 0.09 0.27 1.15 -2.06 0.00 0.00 179.45 178.50 1axx h THR 73 N 0.15 0.61 -0.01 -0.16 2.02 -1.26 -0.24 112.91 114.01 1axx h THR 73 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1axx h THR 73 Cb 0.44 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1axx h THR 73 CO -0.44 0.00 -0.36 -1.22 0.37 0.00 0.00 175.52 173.87 1axx n TYR 74 N -4.08 0.00 -2.18 3.16 4.01 0.65 -4.96 117.16 113.76 1axx n TYR 74 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1axx n TYR 74 Cb 0.43 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 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 -2.43 3.13 -0.10 -0.72 2.07 -0.10 -1.49 121.20 121.56 1axx s ILE 75 Ca 0.22 0.92 -0.06 0.00 -1.41 0.00 0.00 60.65 60.32 1axx s ILE 75 Cb 0.19 -3.59 -0.04 0.00 0.13 0.00 0.00 42.46 39.15 1axx s ILE 75 CO 0.53 0.13 -0.14 2.30 -1.91 0.00 0.00 174.94 175.85 1axx n ILE 76 N 2.71 0.71 -2.58 2.00 -5.35 -0.52 -4.89 119.36 111.43 1axx n ILE 76 Ca 0.07 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1axx n ILE 76 Cb 0.42 -1.68 0.00 0.00 -1.74 0.00 0.00 39.64 36.64 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 2.37 2.99 3.37 3.28 0.00 -1.21 -3.89 105.19 112.10 1axx n GLY 77 Ca -0.19 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.20 1.84 -0.11 1.61 8.01 -1.26 -0.41 118.70 128.18 1axx s GLU 78 Ca 0.00 -2.09 -0.30 0.00 0.01 0.00 0.00 54.97 52.59 1axx s GLU 78 Cb 0.00 0.00 -0.03 0.00 -4.31 0.00 0.00 34.13 29.80 1axx s GLU 78 CO 0.00 -0.61 1.28 -0.51 0.01 0.00 0.00 175.26 175.44 1axx s LEU 79 N -3.47 4.23 0.21 1.80 2.01 -1.26 -0.40 118.68 121.81 1axx s LEU 79 Ca 0.34 1.80 -0.32 0.00 0.01 0.00 0.00 54.13 55.97 1axx s LEU 79 Cb 0.02 -3.55 -0.15 0.00 0.01 0.00 0.00 46.19 42.53 1axx s LEU 79 CO 0.23 -0.71 1.19 1.57 1.01 0.00 0.00 176.35 179.64 1axx n HIS 80 N 6.09 1.50 -0.05 0.29 -0.00 0.13 -4.74 115.22 118.44 1axx n HIS 80 Ca 0.13 0.62 0.15 0.00 0.46 0.00 0.00 57.72 59.09 1axx n HIS 80 Cb 0.45 -2.32 0.58 0.00 -0.12 0.00 0.00 29.99 28.58 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 3.32 0.23 -0.48 1.57 0.13 -1.93 -2.51 132.00 132.33 1axx h PRO 81 Ca -0.43 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1axx h PRO 81 Cb 1.33 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1axx h PRO 81 CO 0.70 0.15 -0.24 -3.47 -0.23 0.00 0.00 178.00 174.92 1axx n ASP 82 N -4.44 -0.41 -0.79 1.44 2.03 -1.26 -0.52 116.55 112.60 1axx n ASP 82 Ca 0.10 0.85 0.08 0.00 0.52 0.00 0.00 54.79 56.35 1axx n ASP 82 Cb 0.47 -0.16 0.24 0.00 -0.72 0.00 0.00 41.12 40.95 1axx n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1axx n ASP 83 N -4.66 3.66 -0.06 1.67 2.03 -0.96 -4.64 116.55 113.59 1axx n ASP 83 Ca 0.03 -2.95 -0.22 0.00 0.52 0.00 0.00 54.79 52.17 1axx n ASP 83 Cb 0.16 -0.51 -0.12 0.00 -0.72 0.00 0.00 41.12 39.93 1axx n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1axx n ARG 84 N -0.53 0.64 -0.03 -0.67 0.00 0.32 -3.81 116.66 112.58 1axx n ARG 84 Ca 0.20 0.46 -0.00 0.00 -0.00 0.00 0.00 57.85 58.51 1axx n ARG 84 Cb 0.83 -1.73 0.28 0.00 0.00 0.00 0.00 32.46 31.84 1axx n ARG 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1axx h SER 85 N -0.61 0.55 -0.24 6.15 0.87 -1.78 -2.65 113.55 115.84 1axx h SER 85 Ca -0.38 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.05 1axx h SER 85 Cb 1.58 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 1axx h SER 85 CO -0.10 0.59 0.00 0.50 -0.53 0.00 0.00 176.83 177.29 1axx h LYS 86 N 0.57 0.43 -6.55 2.24 3.11 -1.86 -3.43 116.57 111.08 1axx h LYS 86 Ca 0.13 -0.13 -0.52 0.00 -2.81 0.00 0.00 60.65 57.31 1axx h LYS 86 Cb 0.29 -0.04 0.05 0.00 -1.00 0.00 0.00 32.23 31.53 1axx h LYS 86 CO 0.00 0.60 1.10 -0.89 -2.81 0.00 0.00 179.45 177.45 1axx n ILE 87 N -4.64 0.29 -4.45 2.00 2.08 -1.00 -4.98 119.36 108.65 1axx n ILE 87 Ca -0.04 -0.05 -0.23 0.00 0.56 0.00 0.00 62.75 62.99 1axx n ILE 87 Cb 0.24 -2.12 -0.06 0.00 -0.75 0.00 0.00 39.64 36.94 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 5.30 0.52 -1.76 -1.39 0.00 -1.26 -4.96 120.51 116.95 1axx n ALA 88 Ca 0.17 -1.88 -0.41 0.00 0.00 0.00 0.00 53.44 51.33 1axx n ALA 88 Cb 0.37 1.26 -0.01 0.00 0.00 0.00 0.00 19.45 21.08 1axx n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1axx n LYS 89 N -0.83 2.73 -2.04 0.00 5.02 -1.26 -4.95 118.16 116.82 1axx n LYS 89 Ca -0.05 0.97 -0.35 0.00 -2.02 0.00 0.00 58.31 56.85 1axx n LYS 89 Cb 0.55 -2.74 0.03 0.00 -0.02 0.00 0.00 35.03 32.85 1axx n LYS 89 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1axx s PRO 90 N -1.14 3.06 -0.41 1.97 0.04 -1.26 -4.97 135.00 132.29 1axx s PRO 90 Ca 0.60 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 1axx s PRO 90 Cb -0.48 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.12 1axx s PRO 90 CO 0.55 -1.09 1.12 -1.54 0.04 0.00 0.00 177.00 176.07 1axx s SER 91 N -1.89 6.75 1.09 6.66 1.04 -1.26 -5.03 113.70 121.05 1axx s SER 91 Ca 0.73 0.72 -0.12 0.00 0.48 0.00 0.00 55.95 57.77 1axx s SER 91 Cb -0.25 -2.55 0.23 0.00 0.10 0.00 0.00 66.02 63.55 1axx s SER 91 CO 0.33 -1.10 1.02 -1.84 0.98 0.00 0.00 173.24 172.63 1axx n GLU 92 N 7.44 -1.74 -4.12 4.02 -0.00 -1.26 -5.07 120.64 119.92 1axx n GLU 92 Ca 0.12 -0.46 -0.25 0.00 -0.00 0.00 0.00 57.16 56.57 1axx n GLU 92 Cb 0.48 -2.22 -0.07 0.00 -0.00 0.00 0.00 31.44 29.63 1axx n GLU 92 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1axx s THR 93 N -2.48 2.31 -1.45 3.84 -4.23 -1.26 -5.33 115.64 107.04 1axx s THR 93 Ca 0.68 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1axx s THR 93 Cb -0.24 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1axx s THR 93 CO 0.63 0.00 0.36 -0.11 -0.54 0.00 0.00 174.62 174.96