#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 0.00 -0.65 -1.24 4.76 -1.26 -5.06 118.16 114.72 2axx n LYS 2 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2axx n LYS 2 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2axx n LYS 2 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2axx n ASP 3 N 0.00 3.75 0.00 4.39 8.00 -1.26 -4.72 116.55 126.71 2axx n ASP 3 Ca 0.00 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.34 2axx n ASP 3 Cb 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2axx n ASP 3 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2axx n VAL 4 N 3.17 0.00 -0.97 2.53 0.24 -1.26 -4.75 118.33 117.29 2axx n VAL 4 Ca 0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.62 2axx n VAL 4 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2axx n VAL 4 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2axx n LYS 5 N 0.00 0.00 -0.69 7.34 3.00 -1.26 -3.36 118.16 123.19 2axx n LYS 5 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 2axx n LYS 5 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.32 2axx n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2axx n TYR 6 N -2.39 0.69 -5.04 5.64 4.01 -1.26 -4.22 117.16 114.59 2axx n TYR 6 Ca 0.00 0.45 -0.32 0.00 -0.16 0.00 0.00 57.90 57.87 2axx n TYR 6 Cb 0.24 -0.96 -0.14 0.00 -0.31 0.00 0.00 39.34 38.17 2axx n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2axx s TYR 7 N 1.61 2.56 0.54 -0.72 2.02 0.55 -4.74 117.35 119.16 2axx s TYR 7 Ca 0.46 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 56.83 2axx s TYR 7 Cb -0.64 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 2axx s TYR 7 CO 0.33 0.11 0.89 0.95 -1.57 0.00 0.00 175.55 176.26 2axx s THR 8 N -0.69 4.79 0.12 -0.71 -4.23 -1.26 -0.42 115.64 113.24 2axx s THR 8 Ca 0.11 0.46 -0.24 0.00 -1.18 0.00 0.00 61.69 60.84 2axx s THR 8 Cb -0.10 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 2axx s THR 8 CO 0.00 -0.96 1.66 -0.07 -0.54 0.00 0.00 174.62 174.71 2axx h LEU 9 N -0.00 -0.56 -0.73 4.79 -0.00 -1.99 -0.21 115.31 116.62 2axx h LEU 9 Ca -0.46 0.09 0.12 0.00 -0.00 0.00 0.00 57.88 57.63 2axx h LEU 9 Cb 1.20 0.24 -0.08 0.00 -0.00 0.00 0.00 40.66 42.02 2axx h LEU 9 CO 0.62 -0.25 0.32 -0.08 -0.00 0.00 0.00 178.44 179.05 2axx h GLU 10 N -0.28 0.50 0.37 1.13 4.81 -1.94 0.18 114.58 119.34 2axx h GLU 10 Ca 0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2axx h GLU 10 Cb 0.38 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2axx h GLU 10 CO -0.20 0.33 -0.18 1.49 -0.73 0.00 0.00 179.01 179.72 2axx h GLU 11 N 0.51 -0.48 -0.76 1.92 4.81 -1.66 -1.94 114.58 116.98 2axx h GLU 11 Ca 0.38 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.69 2axx h GLU 11 Cb 0.50 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2axx h GLU 11 CO -0.34 -0.27 0.46 0.82 -0.73 0.00 0.00 179.01 178.95 2axx h ILE 12 N -0.59 1.03 0.00 2.32 2.04 -0.48 0.35 117.51 122.19 2axx h ILE 12 Ca -0.05 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2axx h ILE 12 Cb 0.44 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2axx h ILE 12 CO 0.08 0.16 0.00 1.67 0.00 0.00 0.00 178.15 180.06 2axx n GLN 13 N -4.68 0.74 0.00 2.37 7.27 0.58 -1.89 117.38 121.77 2axx n GLN 13 Ca 0.10 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.27 2axx n GLN 13 Cb 0.15 -1.18 -0.07 0.00 2.41 0.00 0.00 30.24 31.54 2axx n GLN 13 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2axx n LYS 14 N -0.68 0.52 -0.38 3.69 5.02 0.11 -4.95 118.16 121.49 2axx n LYS 14 Ca 0.07 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 2axx n LYS 14 Cb 0.03 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2axx n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2axx n HIS 15 N -0.90 -2.17 -2.41 2.13 8.25 -0.79 -4.85 115.22 114.48 2axx n HIS 15 Ca 0.06 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.46 2axx n HIS 15 Cb 0.38 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.64 -1.97 0.00 -0.41 4.81 0.61 -4.72 118.16 115.85 2axx n LYS 16 Ca 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2axx n LYS 16 Cb 0.00 -3.52 0.00 0.00 0.02 0.00 0.00 35.03 31.53 2axx n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2axx n ASP 17 N -1.81 0.00 0.00 3.14 9.92 -1.24 -4.97 116.55 121.60 2axx n ASP 17 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 2axx n ASP 17 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 2axx n ASP 17 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2axx n SER 18 N 0.00 0.39 -1.08 -2.24 3.41 -1.26 -4.81 113.62 108.02 2axx n SER 18 Ca 0.00 -1.02 -0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2axx n SER 18 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2axx n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2axx n LYS 19 N -0.01 0.00 -3.09 4.33 3.00 -1.26 -5.01 118.16 116.11 2axx n LYS 19 Ca 0.00 -1.32 0.03 0.00 -0.00 0.00 0.00 58.31 57.02 2axx n LYS 19 Cb 0.18 0.08 -0.00 0.00 0.00 0.00 0.00 35.03 35.28 2axx n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2axx s SER 20 N -1.32 -1.13 -0.55 3.14 0.15 -1.26 -5.03 113.70 107.70 2axx s SER 20 Ca 0.15 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 2axx s SER 20 Cb 0.17 1.56 0.14 0.00 -1.71 0.00 0.00 66.02 66.17 2axx s SER 20 CO -0.07 -0.16 0.45 -0.89 1.20 0.00 0.00 173.24 173.76 2axx s THR 21 N 2.33 4.62 0.15 6.45 2.01 -1.26 -0.28 115.64 129.66 2axx s THR 21 Ca 0.16 -1.88 0.04 0.00 0.31 0.00 0.00 61.69 60.32 2axx s THR 21 Cb -0.04 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2axx s THR 21 CO -0.16 -0.84 0.16 0.26 -0.69 0.00 0.00 174.62 173.34 2axx s TRP 22 N 1.17 3.22 0.05 4.92 0.52 -1.26 -0.43 118.94 127.12 2axx s TRP 22 Ca 0.07 0.02 -0.11 0.00 0.02 0.00 0.00 56.10 56.10 2axx s TRP 22 Cb -0.25 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 2axx s TRP 22 CO -0.01 0.52 0.24 0.14 0.02 0.00 0.00 176.95 177.86 2axx s VAL 23 N -1.72 0.10 -0.07 4.03 -7.23 -0.47 -0.27 120.40 114.76 2axx s VAL 23 Ca 0.32 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 2axx s VAL 23 Cb -0.10 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.88 2axx s VAL 23 CO 0.24 -0.46 -0.14 0.27 -0.31 0.00 0.00 175.10 174.71 2axx s ILE 24 N -2.72 1.27 -0.14 -0.62 -5.25 -1.21 -0.66 121.20 111.88 2axx s ILE 24 Ca -0.04 -0.56 -0.03 0.00 -0.99 0.00 0.00 60.65 59.04 2axx s ILE 24 Cb -0.00 -1.15 0.05 0.00 2.95 0.00 0.00 42.46 44.31 2axx s ILE 24 CO -0.05 0.39 0.05 -0.76 -1.79 0.00 0.00 174.94 172.78 2axx s LEU 25 N 0.63 0.65 -0.90 0.37 1.43 -0.16 -2.11 118.68 118.60 2axx s LEU 25 Ca -0.15 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 2axx s LEU 25 Cb -0.16 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2axx s LEU 25 CO 0.04 -0.28 0.67 1.41 0.23 0.00 0.00 176.35 178.42 2axx n HIS 26 N 5.17 -2.20 -3.60 0.29 8.25 -1.26 -3.19 115.22 118.68 2axx n HIS 26 Ca -0.07 0.78 -0.23 0.00 -0.26 0.00 0.00 57.72 57.93 2axx n HIS 26 Cb 0.49 -3.23 0.04 0.00 1.12 0.00 0.00 29.99 28.41 2axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2axx n HIS 27 N -2.91 -2.02 -3.60 4.41 8.25 -1.26 -4.99 115.22 113.10 2axx n HIS 27 Ca -0.18 0.72 -0.02 0.00 -0.26 0.00 0.00 57.72 57.97 2axx n HIS 27 Cb 0.62 -4.03 -0.06 0.00 1.12 0.00 0.00 29.99 27.64 2axx n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2axx s LYS 28 N -5.66 0.43 -0.16 -0.41 1.02 -1.19 -4.51 119.74 109.25 2axx s LYS 28 Ca 0.25 0.82 -0.04 0.00 0.02 0.00 0.00 55.97 57.01 2axx s LYS 28 Cb -0.07 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2axx s LYS 28 CO 0.81 -0.10 -0.02 0.08 -0.92 0.00 0.00 175.35 175.20 2axx s VAL 29 N 1.70 4.04 -0.07 3.17 1.01 -1.26 -0.99 120.40 128.00 2axx s VAL 29 Ca -0.08 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2axx s VAL 29 Cb -0.05 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 2axx s VAL 29 CO -0.16 0.48 -0.22 -0.31 0.00 0.00 0.00 175.10 174.89 2axx s TYR 30 N 0.44 2.24 -0.26 5.22 2.02 0.16 -1.53 117.35 125.64 2axx s TYR 30 Ca -0.02 -0.77 -0.19 0.00 -0.37 0.00 0.00 57.07 55.72 2axx s TYR 30 Cb -0.14 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 2axx s TYR 30 CO 0.02 -0.28 0.58 0.34 -1.57 0.00 0.00 175.55 174.64 2axx s ASP 31 N 0.12 6.51 -0.20 2.29 -1.08 -0.89 -1.37 116.67 122.05 2axx s ASP 31 Ca -0.10 0.62 0.15 0.00 -0.52 0.00 0.00 52.55 52.71 2axx s ASP 31 Cb -0.15 -2.31 0.50 0.00 -1.46 0.00 0.00 42.92 39.50 2axx s ASP 31 CO 0.05 -0.33 1.41 0.18 0.52 0.00 0.00 175.17 177.00 2axx n LEU 32 N 5.61 3.79 -0.31 -1.34 4.77 0.43 -4.75 117.00 125.20 2axx n LEU 32 Ca -0.02 -3.19 0.03 0.00 -0.03 0.00 0.00 56.01 52.80 2axx n LEU 32 Cb 0.49 -0.55 0.23 0.00 -2.33 0.00 0.00 43.42 41.26 2axx n LEU 32 CO 0.42 0.80 1.25 0.74 -1.33 0.00 0.00 177.39 179.27 2axx h THR 33 N 1.44 1.08 -0.64 -5.08 2.02 -1.90 0.88 112.91 110.72 2axx h THR 33 Ca 0.05 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2axx h THR 33 Cb 1.45 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2axx h THR 33 CO 0.24 0.19 0.00 0.29 0.37 0.00 0.00 175.52 176.61 2axx n LYS 34 N -4.48 4.18 0.00 6.66 4.76 -1.26 -4.26 118.16 123.76 2axx n LYS 34 Ca 0.14 -3.01 0.00 0.00 -2.87 0.00 0.00 58.31 52.57 2axx n LYS 34 Cb 0.18 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 2axx n LYS 34 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2axx n PHE 35 N 0.99 0.00 -0.07 2.13 7.35 0.22 -4.74 117.46 123.34 2axx n PHE 35 Ca 0.27 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.86 2axx n PHE 35 Cb 1.01 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.79 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 0.00 -1.29 0.05 -2.13 3.38 -1.51 0.26 115.31 114.07 2axx h LEU 36 Ca 0.00 0.19 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 2axx h LEU 36 Cb 0.01 0.55 0.02 0.00 0.09 0.00 0.00 40.66 41.34 2axx h LEU 36 CO 0.00 -0.38 -1.14 -0.08 0.09 0.00 0.00 178.44 176.93 2axx h GLU 37 N -0.38 0.66 -0.91 1.13 4.81 -1.88 -2.64 114.58 115.37 2axx h GLU 37 Ca 0.12 -0.78 0.06 0.00 -0.13 0.00 0.00 59.36 58.62 2axx h GLU 37 Cb 0.59 0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 2axx h GLU 37 CO -0.49 1.35 0.59 0.93 -0.73 0.00 0.00 179.01 180.66 2axx h GLU 38 N 0.33 1.03 -5.88 1.92 4.39 -1.76 -3.43 114.58 111.19 2axx h GLU 38 Ca -0.16 -0.06 -0.67 0.00 0.34 0.00 0.00 59.36 58.82 2axx h GLU 38 Cb 1.80 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 30.19 2axx h GLU 38 CO 0.22 0.68 1.44 1.58 -1.16 0.00 0.00 179.01 181.77 2axx n HIS 39 N -4.48 1.39 -2.06 4.33 -0.00 0.87 -4.78 115.22 110.47 2axx n HIS 39 Ca 0.13 0.39 -0.32 0.00 0.46 0.00 0.00 57.72 58.39 2axx n HIS 39 Cb 0.18 -2.47 -0.05 0.00 -0.12 0.00 0.00 29.99 27.53 2axx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2axx n PRO 40 N 8.11 1.88 0.00 1.57 -0.04 -1.26 -0.65 135.00 144.60 2axx n PRO 40 Ca 0.47 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.37 2axx n PRO 40 Cb 0.17 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.01 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 5.58 1.45 0.00 0.55 0.00 -1.26 -5.17 105.19 106.34 2axx n GLY 41 Ca 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 3.71 0.09 -0.02 0.00 0.17 -4.90 105.19 104.24 2axx n GLY 42 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.08 0.25 1.61 4.22 -1.74 -3.37 114.58 115.47 2axx h GLU 43 Ca 0.00 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.45 2axx h GLU 43 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2axx h GLU 43 CO 0.00 0.35 -0.35 1.49 -2.18 0.00 0.00 179.01 178.33 2axx h GLU 44 N -0.97 -0.64 -1.01 1.92 4.81 -1.92 0.16 114.58 116.93 2axx h GLU 44 Ca -0.01 0.04 0.23 0.00 -0.13 0.00 0.00 59.36 59.50 2axx h GLU 44 Cb 0.47 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 2axx h GLU 44 CO 0.01 -0.42 0.62 -0.39 -0.73 0.00 0.00 179.01 178.10 2axx h VAL 45 N -0.66 0.58 0.32 0.32 -1.51 -1.91 0.31 116.25 113.70 2axx h VAL 45 Ca -0.00 -0.20 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 2axx h VAL 45 Cb 0.63 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 2axx h VAL 45 CO -0.12 0.11 -0.15 0.25 -1.23 0.00 0.00 177.57 176.42 2axx h LEU 46 N 0.58 -0.36 -1.36 4.19 7.12 -1.19 -3.19 115.31 121.11 2axx h LEU 46 Ca 0.61 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 58.44 2axx h LEU 46 Cb 1.21 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2axx h LEU 46 CO -0.40 0.04 0.00 0.03 -0.13 0.00 0.00 178.44 177.98 2axx h ARG 47 N -0.82 0.00 0.23 1.25 2.47 0.10 -2.19 114.38 115.43 2axx h ARG 47 Ca -0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2axx h ARG 47 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2axx h ARG 47 CO 0.07 0.00 -0.11 0.93 0.56 0.00 0.00 179.97 181.42 2axx h GLU 48 N 0.00 -0.30 0.00 0.04 4.39 -0.46 -3.35 114.58 114.91 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 0.15 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2axx h GLU 48 CO 0.00 0.06 -0.90 1.96 -1.16 0.00 0.00 179.01 178.98 2axx h GLN 49 N -0.73 0.00 -6.04 2.33 1.08 -1.61 -3.48 115.11 106.66 2axx h GLN 49 Ca -0.03 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.55 2axx h GLN 49 Cb 0.49 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 28.08 2axx h GLN 49 CO 0.05 0.00 -0.90 0.00 -0.95 0.00 0.00 178.83 177.03 2axx n ALA 50 N -2.12 -2.82 -3.22 3.87 0.00 -0.84 -2.99 120.51 112.39 2axx n ALA 50 Ca 0.01 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.39 2axx n ALA 50 Cb 0.53 -1.51 0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 2.29 -0.10 3.91 0.00 0.00 0.62 -4.82 105.19 107.09 2axx n GLY 51 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.37 -0.26 -0.84 -0.02 0.00 -1.16 -4.58 107.32 97.09 2axx s GLY 52 Ca 0.33 0.31 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 2axx s GLY 52 CO 0.51 4.88 2.31 0.99 0.00 0.00 0.00 173.10 181.80 2axx s ASP 53 N -3.68 4.02 0.00 1.64 1.11 -1.26 -3.28 116.67 115.21 2axx s ASP 53 Ca 0.27 -0.18 0.30 0.00 0.18 0.00 0.00 52.55 53.12 2axx s ASP 53 Cb 0.02 -2.56 1.39 0.00 1.07 0.00 0.00 42.92 42.84 2axx s ASP 53 CO -0.03 -3.82 1.99 0.00 1.18 0.00 0.00 175.17 174.49 2axx n ALA 54 N 18.12 2.47 -0.38 5.23 0.00 -0.90 -3.98 120.51 141.07 2axx n ALA 54 Ca 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 2axx n ALA 54 Cb 0.44 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 0.03 0.01 -0.56 0.00 2.02 -1.81 0.90 112.91 113.49 2axx h THR 55 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2axx h THR 55 Cb 0.36 0.01 -0.11 0.00 -1.74 0.00 0.00 68.15 66.67 2axx h THR 55 CO 0.00 0.00 -0.34 -0.08 0.37 0.00 0.00 175.52 175.47 2axx h GLU 56 N -0.01 -0.17 -0.07 6.66 4.22 -1.92 0.13 114.58 123.42 2axx h GLU 56 Ca 0.31 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.67 2axx h GLU 56 Cb 0.56 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2axx h GLU 56 CO -0.97 -0.11 -0.31 -0.97 -2.18 0.00 0.00 179.01 174.47 2axx h ASN 57 N -0.18 0.39 -0.80 1.04 -0.73 -1.53 0.18 115.58 113.95 2axx h ASN 57 Ca 0.22 -0.64 0.13 0.00 1.87 0.00 0.00 56.30 57.88 2axx h ASN 57 Cb 0.55 -0.12 -0.09 0.00 0.27 0.00 0.00 38.32 38.94 2axx h ASN 57 CO -0.66 0.97 0.40 0.15 -0.37 0.00 0.00 177.43 177.92 2axx h PHE 58 N -0.16 0.70 0.05 0.67 3.57 -0.45 -1.38 116.94 119.93 2axx h PHE 58 Ca -0.02 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.24 2axx h PHE 58 Cb 0.96 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2axx h PHE 58 CO 0.13 0.18 -1.43 0.93 -2.23 0.00 0.00 178.31 175.89 2axx h GLU 59 N 0.60 0.12 -0.66 1.11 4.39 -0.71 0.77 114.58 120.20 2axx h GLU 59 Ca 0.43 -0.20 0.14 0.00 0.34 0.00 0.00 59.36 60.07 2axx h GLU 59 Cb 0.57 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.19 2axx h GLU 59 CO -0.34 0.92 0.05 0.22 -1.16 0.00 0.00 179.01 178.70 2axx h ASP 60 N 0.03 -0.20 0.70 1.42 3.58 -0.28 -1.22 116.42 120.44 2axx h ASP 60 Ca -0.19 0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2axx h ASP 60 Cb 1.95 0.26 0.01 0.00 1.72 0.00 0.00 39.33 43.26 2axx h ASP 60 CO 0.13 -0.10 -0.33 0.58 -2.88 0.00 0.00 179.24 176.64 2axx h VAL 61 N 0.16 0.22 -3.08 2.25 2.07 -1.29 -3.49 116.25 113.08 2axx h VAL 61 Ca 0.35 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2axx h VAL 61 Cb 0.58 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2axx h VAL 61 CO -0.53 0.02 -0.00 0.61 0.02 0.00 0.00 177.57 177.68 2axx n GLY 62 N -1.06 -0.30 3.54 2.17 0.00 0.26 -5.03 105.19 104.78 2axx n GLY 62 Ca -0.13 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2axx n HIS 63 N -1.04 -0.41 -0.84 1.61 8.25 -1.23 -5.03 115.22 116.54 2axx n HIS 63 Ca -0.00 0.09 -0.29 0.00 -0.26 0.00 0.00 57.72 57.26 2axx n HIS 63 Cb 0.50 -1.82 0.23 0.00 1.12 0.00 0.00 29.99 30.02 2axx n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2axx s SER 64 N -2.47 1.17 0.03 0.41 1.04 -1.26 -4.93 113.70 107.69 2axx s SER 64 Ca 0.67 1.12 -0.22 0.00 0.48 0.00 0.00 55.95 58.00 2axx s SER 64 Cb -0.24 -1.71 -0.16 0.00 0.10 0.00 0.00 66.02 64.02 2axx s SER 64 CO 0.62 -4.02 1.34 0.74 0.98 0.00 0.00 173.24 172.90 2axx h THR 65 N -2.51 1.35 -0.68 2.02 2.02 -2.00 -3.06 112.91 110.04 2axx h THR 65 Ca -0.54 -1.21 0.14 0.00 0.77 0.00 0.00 66.41 65.57 2axx h THR 65 Cb 1.33 1.90 -0.13 0.00 -1.74 0.00 0.00 68.15 69.52 2axx h THR 65 CO 0.47 0.35 -0.12 0.44 0.37 0.00 0.00 175.52 177.03 2axx h ASP 66 N -0.13 -0.55 -0.30 4.18 3.32 -2.00 0.17 116.42 121.12 2axx h ASP 66 Ca 0.02 0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.34 2axx h ASP 66 Cb 0.59 0.39 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 2axx h ASP 66 CO 0.02 -0.21 -0.21 0.00 -1.72 0.00 0.00 179.24 177.12 2axx h ALA 67 N 1.67 -0.03 -0.29 3.45 0.00 -1.93 0.83 119.26 122.96 2axx h ALA 67 Ca 0.34 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.41 2axx h ALA 67 Cb 0.54 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2axx h ALA 67 CO -0.68 -0.62 -0.10 0.00 0.00 0.00 0.00 179.25 177.85 2axx h ARG 68 N -0.19 -0.05 0.00 0.00 3.08 -0.57 0.38 114.38 117.04 2axx h ARG 68 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2axx h ARG 68 Cb 0.43 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2axx h ARG 68 CO -0.41 -0.03 -0.00 0.93 -1.07 0.00 0.00 179.97 179.38 2axx h GLU 69 N -0.05 -0.01 -0.53 0.04 3.07 -1.01 -2.18 114.58 113.92 2axx h GLU 69 Ca 0.15 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.10 2axx h GLU 69 Cb 0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 2axx h GLU 69 CO -0.33 -0.00 0.36 1.25 -1.40 0.00 0.00 179.01 178.89 2axx h LEU 70 N -0.01 0.28 -0.18 1.33 5.85 -0.13 0.38 115.31 122.84 2axx h LEU 70 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2axx h LEU 70 Cb 0.01 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2axx h LEU 70 CO -0.00 0.17 -0.06 0.28 -0.34 0.00 0.00 178.44 178.49 2axx h SER 71 N 0.31 -0.20 -0.72 1.25 0.02 0.37 -2.17 113.55 112.41 2axx h SER 71 Ca 0.24 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.32 2axx h SER 71 Cb 0.54 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 2axx h SER 71 CO -0.06 -0.08 0.41 0.11 -1.14 0.00 0.00 176.83 176.08 2axx h LYS 72 N -0.02 0.71 -0.07 3.45 1.57 -0.64 0.22 116.57 121.78 2axx h LYS 72 Ca 0.09 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2axx h LYS 72 Cb 0.16 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2axx h LYS 72 CO -0.20 0.47 0.22 1.15 -0.57 0.00 0.00 179.45 180.53 2axx h THR 73 N 0.73 0.14 -0.04 -0.16 2.02 -1.00 0.21 112.91 114.82 2axx h THR 73 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 2axx h THR 73 Cb 0.23 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2axx h THR 73 CO -0.20 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.47 2axx n TYR 74 N -3.22 0.01 -1.79 3.16 4.01 0.70 -4.98 117.16 115.05 2axx n TYR 74 Ca -0.01 -0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 2axx n TYR 74 Cb 0.30 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.93 3.22 -0.26 -0.72 2.07 0.06 -2.10 121.20 121.54 2axx s ILE 75 Ca 0.27 0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.74 2axx s ILE 75 Cb 0.19 -3.22 -0.16 0.00 0.13 0.00 0.00 42.46 39.41 2axx s ILE 75 CO 0.29 -0.08 -0.26 2.30 -1.91 0.00 0.00 174.94 175.28 2axx n ILE 76 N 6.45 1.51 0.00 2.00 -5.35 -0.58 -4.95 119.36 118.44 2axx n ILE 76 Ca 0.23 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2axx n ILE 76 Cb 0.43 -1.57 0.00 0.00 -1.74 0.00 0.00 39.64 36.77 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 1.95 -1.61 3.21 3.28 0.00 -1.21 -4.48 105.19 106.33 2axx n GLY 77 Ca -0.49 1.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 2axx n GLY 77 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2axx n GLU 78 N 0.00 -0.43 -1.77 1.61 0.28 -1.26 -3.11 120.64 115.96 2axx n GLU 78 Ca 0.00 -0.11 -0.42 0.00 -0.16 0.00 0.00 57.16 56.47 2axx n GLU 78 Cb 0.00 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.37 2axx n GLU 78 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2axx s LEU 79 N 2.70 4.37 0.33 -1.84 1.98 -1.26 -0.33 118.68 124.62 2axx s LEU 79 Ca 0.49 2.82 -0.28 0.00 -2.89 0.00 0.00 54.13 54.27 2axx s LEU 79 Cb -0.14 -3.60 -0.13 0.00 0.66 0.00 0.00 46.19 42.98 2axx s LEU 79 CO 0.71 -0.94 1.22 1.57 -1.89 0.00 0.00 176.35 177.02 2axx n HIS 80 N 3.96 2.03 0.27 5.38 -0.00 0.44 -4.72 115.22 122.58 2axx n HIS 80 Ca 0.15 0.59 0.11 0.00 -0.00 0.00 0.00 57.72 58.57 2axx n HIS 80 Cb 0.36 -2.37 0.73 0.00 -0.00 0.00 0.00 29.99 28.71 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 2.40 0.00 -0.53 1.57 0.13 -1.91 -3.10 132.00 130.57 2axx h PRO 81 Ca -0.44 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2axx h PRO 81 Cb 1.30 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 2axx h PRO 81 CO 0.62 0.05 -0.31 -3.47 -0.23 0.00 0.00 178.00 174.65 2axx n ASP 82 N -4.13 -0.56 -0.23 1.44 2.03 -1.26 -0.50 116.55 113.33 2axx n ASP 82 Ca -0.03 1.18 0.14 0.00 0.52 0.00 0.00 54.79 56.60 2axx n ASP 82 Cb 0.13 -0.24 0.63 0.00 -0.72 0.00 0.00 41.12 40.92 2axx n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2axx n ASP 83 N -4.27 0.79 0.18 1.67 2.03 -1.17 -3.99 116.55 111.80 2axx n ASP 83 Ca 0.01 -1.04 0.13 0.00 0.52 0.00 0.00 54.79 54.41 2axx n ASP 83 Cb 0.14 -0.01 0.38 0.00 -0.72 0.00 0.00 41.12 40.90 2axx n ASP 83 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2axx h ARG 84 N 1.15 0.00 0.00 -0.67 2.43 -0.84 -2.20 114.38 114.25 2axx h ARG 84 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2axx h ARG 84 Cb 0.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2axx h ARG 84 CO 0.00 0.00 -0.49 1.03 -1.51 0.00 0.00 179.97 179.00 2axx h SER 85 N 0.00 0.00 -1.35 -3.80 0.87 -1.68 -3.40 113.55 104.19 2axx h SER 85 Ca 0.00 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.14 2axx h SER 85 Cb 0.75 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.40 2axx h SER 85 CO 0.00 0.49 -0.93 1.17 -0.53 0.00 0.00 176.83 177.03 2axx n LYS 86 N -3.41 0.89 -1.47 2.24 3.00 -0.88 -5.11 118.16 113.42 2axx n LYS 86 Ca 0.01 -2.84 -0.61 0.00 -0.00 0.00 0.00 58.31 54.87 2axx n LYS 86 Cb 0.63 -1.41 -0.10 0.00 0.00 0.00 0.00 35.03 34.15 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 0.78 0.05 -1.86 3.15 -0.00 -0.89 -4.91 119.36 115.68 2axx n ILE 87 Ca 0.18 -0.04 -0.35 0.00 -0.00 0.00 0.00 62.75 62.55 2axx n ILE 87 Cb 0.63 -0.71 0.05 0.00 -0.00 0.00 0.00 39.64 39.61 2axx n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2axx s ALA 88 N 5.03 2.45 -0.11 -1.39 0.00 -1.26 -5.04 121.76 121.44 2axx s ALA 88 Ca 1.12 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 53.89 2axx s ALA 88 Cb -1.38 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.27 2axx s ALA 88 CO 0.69 -1.31 0.18 0.15 0.00 0.00 0.00 175.76 175.46 2axx s LYS 89 N -3.58 3.54 0.81 0.00 1.02 -1.26 -5.11 119.74 115.16 2axx s LYS 89 Ca 0.75 -0.05 -0.12 0.00 0.02 0.00 0.00 55.97 56.56 2axx s LYS 89 Cb -0.28 -3.21 0.08 0.00 -0.52 0.00 0.00 37.83 33.90 2axx s LYS 89 CO 0.37 0.74 1.13 -1.25 -0.92 0.00 0.00 175.35 175.42 2axx s PRO 90 N -0.97 1.97 -1.07 -1.68 0.04 -1.26 -5.00 135.00 127.04 2axx s PRO 90 Ca 0.16 0.34 -0.15 0.00 0.04 0.00 0.00 61.00 61.39 2axx s PRO 90 Cb -0.13 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.66 2axx s PRO 90 CO 0.05 -1.63 1.23 -1.12 0.04 0.00 0.00 177.00 175.57 2axx s SER 91 N -4.25 6.94 0.27 6.66 0.01 -1.26 -5.00 113.70 117.07 2axx s SER 91 Ca 0.61 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 55.11 2axx s SER 91 Cb -0.13 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2axx s SER 91 CO 0.52 -0.76 0.00 -1.84 0.41 0.00 0.00 173.24 171.57 2axx n GLU 92 N 5.34 0.00 -3.67 12.44 0.28 -1.26 -4.98 120.64 128.79 2axx n GLU 92 Ca 0.29 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.28 2axx n GLU 92 Cb 0.45 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.31 2axx n GLU 92 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2axx s THR 93 N 0.00 0.00 -2.34 3.84 -1.32 -1.26 -5.08 115.64 109.47 2axx s THR 93 Ca 0.00 -0.38 0.19 0.00 -1.21 0.00 0.00 61.69 60.29 2axx s THR 93 Cb 0.00 -1.92 0.15 0.00 -1.51 0.00 0.00 72.50 69.21 2axx s THR 93 CO 0.00 0.00 1.09 -0.11 -2.21 0.00 0.00 174.62 173.39