#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 2.26 0.35 -1.24 2.47 -1.26 -5.05 119.74 117.28 2axx s LYS 2 Ca 0.00 1.71 -0.08 0.00 -1.56 0.00 0.00 55.97 56.04 2axx s LYS 2 Cb 0.00 -1.85 0.03 0.00 -1.46 0.00 0.00 37.83 34.55 2axx s LYS 2 CO 0.00 -1.73 0.62 -3.47 0.16 0.00 0.00 175.35 170.93 2axx n ASP 3 N -2.63 -1.77 0.00 1.43 -0.08 -1.26 -5.15 116.55 107.10 2axx n ASP 3 Ca 0.13 -2.63 0.00 0.00 -1.51 0.00 0.00 54.79 50.78 2axx n ASP 3 Cb 0.50 3.06 0.00 0.00 2.34 0.00 0.00 41.12 47.02 2axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2axx n VAL 4 N -0.52 0.00 -2.47 5.18 0.31 -1.26 -4.96 118.33 114.60 2axx n VAL 4 Ca -0.04 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2axx n VAL 4 Cb 0.56 -0.10 0.01 0.00 -0.91 0.00 0.00 33.84 33.40 2axx n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2axx n LYS 5 N 0.00 0.17 -1.62 5.55 3.00 -1.26 -5.04 118.16 118.96 2axx n LYS 5 Ca 0.00 -2.01 -0.52 0.00 -0.00 0.00 0.00 58.31 55.78 2axx n LYS 5 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 35.03 34.89 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 0.32 1.69 -4.57 5.64 4.02 -1.26 -3.71 117.16 119.29 2axx n TYR 6 Ca 0.02 0.57 -0.22 0.00 -0.01 0.00 0.00 57.90 58.27 2axx n TYR 6 Cb 1.06 -2.38 -0.15 0.00 -0.02 0.00 0.00 39.34 37.86 2axx n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2axx s TYR 7 N 1.08 1.22 0.65 -0.72 2.02 0.05 -4.81 117.35 116.84 2axx s TYR 7 Ca 0.86 -0.25 -0.10 0.00 -0.37 0.00 0.00 57.07 57.22 2axx s TYR 7 Cb -0.94 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 2axx s TYR 7 CO 0.49 -0.01 1.02 0.95 -1.57 0.00 0.00 175.55 176.43 2axx s THR 8 N -0.42 3.77 0.08 -0.71 -4.23 -1.26 -0.68 115.64 112.19 2axx s THR 8 Ca 0.05 0.39 -0.36 0.00 -1.18 0.00 0.00 61.69 60.58 2axx s THR 8 Cb -0.06 -3.54 -0.18 0.00 1.34 0.00 0.00 72.50 70.06 2axx s THR 8 CO -0.00 -0.66 1.57 -0.07 -0.54 0.00 0.00 174.62 174.92 2axx h LEU 9 N -0.43 -1.26 -0.81 4.79 -0.00 -1.98 -2.34 115.31 113.28 2axx h LEU 9 Ca -0.45 0.08 0.19 0.00 -0.00 0.00 0.00 57.88 57.71 2axx h LEU 9 Cb 1.24 0.39 -0.12 0.00 -0.00 0.00 0.00 40.66 42.17 2axx h LEU 9 CO 0.63 -0.70 0.23 -0.33 -0.00 0.00 0.00 178.44 178.27 2axx h GLU 10 N -1.09 0.27 0.09 1.13 5.08 -1.95 0.21 114.58 118.32 2axx h GLU 10 Ca -0.08 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2axx h GLU 10 Cb 0.90 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 2axx h GLU 10 CO 0.03 0.18 -0.48 1.49 -1.00 0.00 0.00 179.01 179.23 2axx h GLU 11 N 0.28 -0.67 -0.92 2.33 4.57 -1.85 0.13 114.58 118.45 2axx h GLU 11 Ca 0.48 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 2axx h GLU 11 Cb 0.88 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.58 2axx h GLU 11 CO -0.56 -0.45 0.59 0.82 -1.18 0.00 0.00 179.01 178.24 2axx h ILE 12 N -0.69 1.24 0.00 2.32 2.04 -0.67 -1.26 117.51 120.49 2axx h ILE 12 Ca 0.01 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2axx h ILE 12 Cb 0.72 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2axx h ILE 12 CO -0.29 0.24 0.00 -0.61 0.00 0.00 0.00 178.15 177.50 2axx h GLN 13 N 1.26 0.00 0.00 2.37 4.15 0.11 0.15 115.11 123.16 2axx h GLN 13 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.76 2axx h GLN 13 Cb -0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2axx h GLN 13 CO -0.07 0.00 -0.31 1.63 -1.93 0.00 0.00 178.83 178.15 2axx n LYS 14 N -2.76 0.04 -2.75 1.69 5.02 0.38 -4.25 118.16 115.53 2axx n LYS 14 Ca 0.00 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 2axx n LYS 14 Cb 0.22 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.60 2.77 0.00 2.13 8.25 0.53 -4.75 115.22 122.55 2axx n HIS 15 Ca 0.06 -2.70 0.00 0.00 -0.26 0.00 0.00 57.72 54.82 2axx n HIS 15 Cb 0.35 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.32 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 0.21 0.00 -3.88 -0.41 4.81 -1.26 -3.09 118.16 114.54 2axx n LYS 16 Ca 0.41 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.55 2axx n LYS 16 Cb 0.29 -0.10 -0.14 0.00 0.02 0.00 0.00 35.03 35.10 2axx n LYS 16 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2axx s ASP 17 N -1.00 4.22 -0.36 3.14 1.47 -1.26 -4.38 116.67 118.50 2axx s ASP 17 Ca 0.00 -2.58 0.05 0.00 1.18 0.00 0.00 52.55 51.19 2axx s ASP 17 Cb 0.00 -1.40 0.22 0.00 -0.34 0.00 0.00 42.92 41.40 2axx s ASP 17 CO 0.00 -0.29 1.20 -0.24 0.68 0.00 0.00 175.17 176.52 2axx n SER 18 N 3.66 -1.49 -3.87 2.11 2.88 -1.26 -4.98 113.62 110.67 2axx n SER 18 Ca 0.05 -2.10 -0.29 0.00 -1.33 0.00 0.00 58.87 55.21 2axx n SER 18 Cb 0.36 1.10 0.03 0.00 -0.75 0.00 0.00 64.21 64.95 2axx n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2axx n LYS 19 N -0.35 -5.58 -2.78 -1.46 5.02 -1.26 -4.91 118.16 106.83 2axx n LYS 19 Ca -0.14 0.61 -0.03 0.00 -2.02 0.00 0.00 58.31 56.73 2axx n LYS 19 Cb 0.73 -5.47 0.01 0.00 -0.02 0.00 0.00 35.03 30.29 2axx n LYS 19 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2axx s SER 20 N -3.46 -1.10 -0.74 4.39 0.15 -1.26 -5.00 113.70 106.68 2axx s SER 20 Ca 0.56 -1.20 -0.22 0.00 0.70 0.00 0.00 55.95 55.79 2axx s SER 20 Cb -0.28 1.44 0.08 0.00 -1.71 0.00 0.00 66.02 65.54 2axx s SER 20 CO 0.82 -0.05 1.04 -0.89 1.20 0.00 0.00 173.24 175.36 2axx s THR 21 N 1.04 4.36 0.06 6.45 2.01 -1.26 -4.13 115.64 124.17 2axx s THR 21 Ca 0.26 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2axx s THR 21 Cb 0.03 -4.74 -0.04 0.00 0.01 0.00 0.00 72.50 67.77 2axx s THR 21 CO -0.07 -1.51 0.15 0.26 -0.69 0.00 0.00 174.62 172.76 2axx s TRP 22 N 3.90 3.39 -0.03 4.92 0.52 -1.20 -0.85 118.94 129.59 2axx s TRP 22 Ca 0.26 0.19 -0.12 0.00 0.02 0.00 0.00 56.10 56.45 2axx s TRP 22 Cb -0.13 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 2axx s TRP 22 CO 0.05 0.57 0.26 0.14 0.02 0.00 0.00 176.95 177.99 2axx s VAL 23 N -1.44 0.05 -0.30 4.03 -7.23 -0.68 -0.48 120.40 114.34 2axx s VAL 23 Ca 0.32 -0.41 -0.10 0.00 -1.81 0.00 0.00 61.98 59.98 2axx s VAL 23 Cb -0.13 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 2axx s VAL 23 CO 0.25 -0.23 0.16 0.27 -0.31 0.00 0.00 175.10 175.24 2axx s ILE 24 N -0.99 4.75 -0.34 -0.62 -5.25 -1.26 -0.86 121.20 116.64 2axx s ILE 24 Ca -0.11 -0.29 0.02 0.00 -0.99 0.00 0.00 60.65 59.28 2axx s ILE 24 Cb -0.05 -3.38 0.10 0.00 2.95 0.00 0.00 42.46 42.08 2axx s ILE 24 CO 0.03 0.11 0.09 -0.76 -1.79 0.00 0.00 174.94 172.61 2axx s LEU 25 N 1.65 3.50 -0.91 0.37 1.43 -0.62 -2.71 118.68 121.39 2axx s LEU 25 Ca 0.05 -1.97 -0.05 0.00 -1.03 0.00 0.00 54.13 51.13 2axx s LEU 25 Cb -0.17 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 2axx s LEU 25 CO 0.07 -0.39 0.80 1.41 0.23 0.00 0.00 176.35 178.48 2axx n HIS 26 N 4.45 -2.20 -3.70 0.29 8.25 -1.26 -3.94 115.22 117.12 2axx n HIS 26 Ca 0.02 0.77 -0.22 0.00 -0.26 0.00 0.00 57.72 58.02 2axx n HIS 26 Cb 0.41 -3.93 0.04 0.00 1.12 0.00 0.00 29.99 27.63 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 -2.96 -2.04 -3.58 4.41 8.25 -1.26 -5.00 115.22 113.04 2axx n HIS 27 Ca -0.06 0.87 -0.17 0.00 -0.26 0.00 0.00 57.72 58.10 2axx n HIS 27 Cb 0.60 -4.43 -0.07 0.00 1.12 0.00 0.00 29.99 27.22 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 -6.03 0.94 -0.20 -0.41 1.02 -1.25 -4.50 119.74 109.31 2axx s LYS 28 Ca 0.13 0.30 -0.10 0.00 0.02 0.00 0.00 55.97 56.33 2axx s LYS 28 Cb -0.06 0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 37.64 2axx s LYS 28 CO 0.80 -0.26 0.13 0.08 -0.92 0.00 0.00 175.35 175.18 2axx s VAL 29 N -0.94 5.34 -0.06 3.17 1.01 0.09 -1.59 120.40 127.42 2axx s VAL 29 Ca -0.09 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2axx s VAL 29 Cb -0.02 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2axx s VAL 29 CO 0.07 0.43 -0.23 -0.31 0.00 0.00 0.00 175.10 175.07 2axx s TYR 30 N 0.46 2.50 -0.26 5.22 1.51 -0.04 -1.13 117.35 125.62 2axx s TYR 30 Ca 0.07 -0.61 -0.12 0.00 -1.01 0.00 0.00 57.07 55.40 2axx s TYR 30 Cb -0.11 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.07 2axx s TYR 30 CO -0.01 -0.14 0.24 0.34 -1.11 0.00 0.00 175.55 174.87 2axx s ASP 31 N -0.24 6.14 -0.19 2.29 -1.08 -0.73 -1.69 116.67 121.17 2axx s ASP 31 Ca -0.01 0.14 0.14 0.00 -0.52 0.00 0.00 52.55 52.31 2axx s ASP 31 Cb -0.13 -2.14 0.40 0.00 -1.46 0.00 0.00 42.92 39.58 2axx s ASP 31 CO 0.03 -0.04 1.25 0.18 0.52 0.00 0.00 175.17 177.11 2axx n LEU 32 N 4.80 2.92 -0.21 -1.34 4.77 -0.03 -4.80 117.00 123.11 2axx n LEU 32 Ca -0.13 -3.50 -0.08 0.00 -0.03 0.00 0.00 56.01 52.28 2axx n LEU 32 Cb 0.52 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2axx n LEU 32 CO 0.35 1.06 0.95 0.74 -1.33 0.00 0.00 177.39 179.16 2axx h THR 33 N 0.72 1.24 -0.25 -5.08 2.02 -1.94 0.85 112.91 110.46 2axx h THR 33 Ca 0.03 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2axx h THR 33 Cb 1.15 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2axx h THR 33 CO 0.08 0.31 0.00 0.29 0.37 0.00 0.00 175.52 176.57 2axx n LYS 34 N -4.42 1.60 0.00 6.66 5.02 -1.26 -3.60 118.16 122.16 2axx n LYS 34 Ca 0.03 -0.91 0.03 0.00 -2.02 0.00 0.00 58.31 55.45 2axx n LYS 34 Cb 0.20 -1.21 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.23 0.00 0.03 2.13 7.35 0.19 -4.70 117.46 122.69 2axx n PHE 35 Ca 0.08 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.70 2axx n PHE 35 Cb 0.22 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.01 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 0.61 -0.73 -0.33 -2.13 3.38 -1.34 0.29 115.31 115.06 2axx h LEU 36 Ca 0.00 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 2axx h LEU 36 Cb 0.22 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2axx h LEU 36 CO 0.00 -0.23 -0.43 -0.08 0.09 0.00 0.00 178.44 177.79 2axx h GLU 37 N -0.30 0.87 -0.90 1.13 4.81 -1.87 -2.89 114.58 115.43 2axx h GLU 37 Ca 0.00 -0.50 0.14 0.00 -0.13 0.00 0.00 59.36 58.87 2axx h GLU 37 Cb 0.32 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 2axx h GLU 37 CO -0.16 1.14 0.58 0.93 -0.73 0.00 0.00 179.01 180.77 2axx h GLU 38 N 0.66 0.72 -6.06 1.92 4.39 -1.79 -3.43 114.58 110.98 2axx h GLU 38 Ca 0.04 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 59.01 2axx h GLU 38 Cb 1.03 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2axx h GLU 38 CO 0.10 0.48 1.26 1.58 -1.16 0.00 0.00 179.01 181.27 2axx n HIS 39 N -4.56 1.79 -2.05 4.33 -0.00 0.10 -4.81 115.22 110.02 2axx n HIS 39 Ca 0.17 0.31 -0.27 0.00 0.46 0.00 0.00 57.72 58.39 2axx n HIS 39 Cb 0.44 -2.53 -0.06 0.00 -0.12 0.00 0.00 29.99 27.72 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 5.34 2.47 0.00 1.57 0.04 -1.26 -0.70 135.00 142.45 2axx s PRO 40 Ca 1.05 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2axx s PRO 40 Cb -0.90 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 28.46 2axx s PRO 40 CO 0.54 -3.88 0.00 0.41 0.04 0.00 0.00 177.00 174.11 2axx n GLY 41 N 6.09 0.95 0.00 0.56 0.00 -1.26 -5.16 105.19 106.37 2axx n GLY 41 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 3.07 0.13 -0.02 0.00 0.12 -4.89 105.19 103.60 2axx n GLY 42 Ca 0.00 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 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 0.34 0.29 1.61 4.22 -1.78 -3.37 114.58 115.90 2axx h GLU 43 Ca 0.00 -0.59 -0.01 0.00 0.08 0.00 0.00 59.36 58.84 2axx h GLU 43 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2axx h GLU 43 CO 0.00 1.24 -0.14 1.49 -2.18 0.00 0.00 179.01 179.42 2axx h GLU 44 N 0.09 -0.38 -0.88 1.92 4.81 -1.91 0.14 114.58 118.38 2axx h GLU 44 Ca -0.30 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.09 2axx h GLU 44 Cb 2.07 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 31.47 2axx h GLU 44 CO 0.18 -0.20 0.57 -0.24 -0.73 0.00 0.00 179.01 178.58 2axx h VAL 45 N -0.46 0.86 0.47 0.32 3.04 -1.90 0.22 116.25 118.80 2axx h VAL 45 Ca -0.04 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 2axx h VAL 45 Cb 0.35 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 2axx h VAL 45 CO 0.07 0.13 -0.34 -0.07 -1.01 0.00 0.00 177.57 176.35 2axx h LEU 46 N 0.71 -0.87 -1.46 3.16 -0.00 -1.38 -3.10 115.31 112.37 2axx h LEU 46 Ca 0.43 0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 58.32 2axx h LEU 46 Cb 0.66 0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2axx h LEU 46 CO -0.19 -0.51 -0.27 -0.09 -0.00 0.00 0.00 178.44 177.38 2axx h ARG 47 N -0.79 0.00 0.02 1.13 2.43 0.12 -0.58 114.38 116.72 2axx h ARG 47 Ca -0.05 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2axx h ARG 47 Cb 0.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2axx h ARG 47 CO 0.02 0.27 -0.05 0.93 -1.51 0.00 0.00 179.97 179.63 2axx h GLU 48 N 0.00 -0.10 0.00 0.20 4.39 -0.63 -3.16 114.58 115.29 2axx h GLU 48 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2axx h GLU 48 Cb 0.48 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2axx h GLU 48 CO 0.04 -0.07 -0.95 1.04 -1.16 0.00 0.00 179.01 177.91 2axx n GLN 49 N -5.16 0.40 -1.25 2.33 1.13 -1.12 -4.92 117.38 108.78 2axx n GLN 49 Ca -0.07 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.62 2axx n GLN 49 Cb 0.09 -1.69 -0.03 0.00 0.11 0.00 0.00 30.24 28.73 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 -1.95 -2.70 0.00 -1.58 0.00 -0.24 -3.17 120.51 110.87 2axx n ALA 50 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2axx n ALA 50 Cb 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.81 2.62 0.00 0.00 0.00 0.37 -4.68 105.19 105.31 2axx n GLY 51 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2axx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2axx n GLY 52 N 0.00 1.43 4.00 -0.02 0.00 -1.19 -2.25 105.19 107.16 2axx n GLY 52 Ca 0.00 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 2axx n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2axx n ASP 53 N 0.00 -3.54 0.12 1.61 8.00 -1.26 -4.75 116.55 116.73 2axx n ASP 53 Ca 0.00 -0.88 0.12 0.00 0.71 0.00 0.00 54.79 54.74 2axx n ASP 53 Cb 0.00 -3.45 0.05 0.00 -0.02 0.00 0.00 41.12 37.70 2axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2axx h ALA 54 N 0.93 0.61 -0.69 2.24 0.00 -1.77 -3.38 119.26 117.20 2axx h ALA 54 Ca -0.59 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.46 2axx h ALA 54 Cb 1.38 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 2axx h ALA 54 CO 0.69 0.00 -0.18 1.15 0.00 0.00 0.00 179.25 180.92 2axx h THR 55 N 0.00 0.30 -0.43 0.00 2.02 -1.85 0.87 112.91 113.83 2axx h THR 55 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2axx h THR 55 Cb 0.97 0.30 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 2axx h THR 55 CO 0.00 0.00 -0.10 -0.08 0.37 0.00 0.00 175.52 175.71 2axx h GLU 56 N -0.00 0.01 -0.16 6.66 4.22 -1.91 0.87 114.58 124.27 2axx h GLU 56 Ca 0.33 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.72 2axx h GLU 56 Cb 0.51 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2axx h GLU 56 CO -0.72 0.00 -0.11 -0.97 -2.18 0.00 0.00 179.01 175.04 2axx h ASN 57 N 0.01 0.38 -0.66 1.04 -0.73 -1.38 0.26 115.58 114.49 2axx h ASN 57 Ca 0.21 -0.44 0.08 0.00 1.87 0.00 0.00 56.30 58.02 2axx h ASN 57 Cb 0.31 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 38.73 2axx h ASN 57 CO -0.44 0.74 0.33 0.15 -0.37 0.00 0.00 177.43 177.84 2axx h PHE 58 N 0.02 0.59 0.00 0.67 3.04 -0.47 -1.52 116.94 119.27 2axx h PHE 58 Ca 0.03 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.81 2axx h PHE 58 Cb 0.61 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 2axx h PHE 58 CO 0.07 0.23 -1.03 0.93 -2.02 0.00 0.00 178.31 176.49 2axx h GLU 59 N 0.58 0.00 -0.42 1.11 4.39 -0.72 0.30 114.58 119.81 2axx h GLU 59 Ca 0.32 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.10 2axx h GLU 59 Cb 0.30 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 2axx h GLU 59 CO -0.24 0.79 -0.10 0.22 -1.16 0.00 0.00 179.01 178.51 2axx h ASP 60 N 0.00 -0.39 0.78 1.42 3.58 -0.22 -0.59 116.42 121.00 2axx h ASP 60 Ca -0.06 0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 2axx h ASP 60 Cb 1.72 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 43.02 2axx h ASP 60 CO 0.10 -0.14 -0.44 0.58 -2.88 0.00 0.00 179.24 176.47 2axx h VAL 61 N 0.00 1.03 0.00 2.25 2.07 -1.17 -3.47 116.25 116.96 2axx h VAL 61 Ca 0.20 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2axx h VAL 61 Cb 0.31 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2axx h VAL 61 CO -0.43 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.19 2axx n GLY 62 N 0.22 2.06 1.31 2.17 0.00 0.10 -4.93 105.19 106.12 2axx n GLY 62 Ca -0.00 -0.30 0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -3.31 -2.40 1.61 8.25 -1.25 -4.73 115.22 113.39 2axx n HIS 63 Ca 0.00 1.67 -0.24 0.00 -0.26 0.00 0.00 57.72 58.89 2axx n HIS 63 Cb 0.00 -3.01 0.07 0.00 1.12 0.00 0.00 29.99 28.17 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 -6.76 4.84 0.22 0.41 1.04 -1.26 -5.01 113.70 107.18 2axx s SER 64 Ca 0.00 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 2axx s SER 64 Cb 0.00 -0.83 0.21 0.00 0.10 0.00 0.00 66.02 65.50 2axx s SER 64 CO 0.00 -1.52 1.65 0.74 0.98 0.00 0.00 173.24 175.09 2axx h THR 65 N -0.39 1.27 -0.40 2.02 2.02 -2.01 -3.23 112.91 112.19 2axx h THR 65 Ca -0.42 -1.30 0.08 0.00 0.77 0.00 0.00 66.41 65.54 2axx h THR 65 Cb 1.30 1.18 -0.09 0.00 -1.74 0.00 0.00 68.15 68.79 2axx h THR 65 CO 0.54 0.43 -0.31 -0.78 0.37 0.00 0.00 175.52 175.77 2axx h ASP 66 N 0.67 -1.03 -1.00 4.18 1.82 -2.00 0.22 116.42 119.29 2axx h ASP 66 Ca 0.10 0.19 0.20 0.00 -0.39 0.00 0.00 57.03 57.12 2axx h ASP 66 Cb 0.70 0.49 -0.10 0.00 0.68 0.00 0.00 39.33 41.10 2axx h ASP 66 CO 0.05 -0.31 0.61 0.00 -1.61 0.00 0.00 179.24 177.99 2axx h ALA 67 N 0.81 1.75 -0.26 -0.78 0.00 -1.96 0.20 119.26 119.02 2axx h ALA 67 Ca 0.18 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2axx h ALA 67 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2axx h ALA 67 CO -0.53 -0.13 -0.09 0.00 0.00 0.00 0.00 179.25 178.50 2axx h ARG 68 N 0.71 0.43 0.24 0.00 3.08 -0.61 0.19 114.38 118.42 2axx h ARG 68 Ca 0.58 -0.11 -0.32 0.00 0.07 0.00 0.00 59.98 60.20 2axx h ARG 68 Cb 0.97 -0.05 0.04 0.00 0.08 0.00 0.00 29.97 31.01 2axx h ARG 68 CO -0.37 0.53 -1.42 0.93 -1.07 0.00 0.00 179.97 178.57 2axx h GLU 69 N 0.40 0.53 -0.74 0.04 5.08 -0.47 -3.29 114.58 116.14 2axx h GLU 69 Ca 0.08 -0.90 0.04 0.00 -1.00 0.00 0.00 59.36 57.59 2axx h GLU 69 Cb 0.42 0.33 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 2axx h GLU 69 CO 0.02 1.43 0.49 1.25 -1.00 0.00 0.00 179.01 181.20 2axx h LEU 70 N 0.11 0.74 -0.86 1.33 7.12 -0.44 -0.81 115.31 122.50 2axx h LEU 70 Ca -0.25 -0.00 0.19 0.00 0.13 0.00 0.00 57.88 57.95 2axx h LEU 70 Cb 2.12 -0.17 -0.12 0.00 -0.53 0.00 0.00 40.66 41.97 2axx h LEU 70 CO 0.27 0.50 0.37 0.77 -0.13 0.00 0.00 178.44 180.22 2axx h SER 71 N 0.86 0.33 -0.75 1.25 4.64 -0.69 -1.11 113.55 118.07 2axx h SER 71 Ca 0.30 0.14 0.11 0.00 -0.47 0.00 0.00 61.79 61.87 2axx h SER 71 Cb 0.13 0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.25 2axx h SER 71 CO -0.09 0.04 0.37 0.11 -0.87 0.00 0.00 176.83 176.39 2axx h LYS 72 N 0.43 0.59 -0.13 4.77 1.57 -1.26 0.31 116.57 122.86 2axx h LYS 72 Ca 0.51 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.30 2axx h LYS 72 Cb 0.91 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2axx h LYS 72 CO -0.49 0.39 0.18 1.15 -0.57 0.00 0.00 179.45 180.12 2axx h THR 73 N 0.61 0.36 -0.04 -0.16 2.02 -1.27 -0.60 112.91 113.82 2axx h THR 73 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 2axx h THR 73 Cb 0.43 0.85 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 -3.61 0.01 -2.01 3.16 4.01 0.10 -4.97 117.16 113.85 2axx n TYR 74 Ca 0.00 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2axx n TYR 74 Cb 0.29 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.99 3.50 -0.23 -0.72 2.07 -0.24 -1.78 121.20 121.82 2axx s ILE 75 Ca 0.28 0.70 -0.16 0.00 -1.41 0.00 0.00 60.65 60.07 2axx s ILE 75 Cb 0.20 -3.45 -0.11 0.00 0.13 0.00 0.00 42.46 39.22 2axx s ILE 75 CO 0.30 -0.05 -0.21 2.30 -1.91 0.00 0.00 174.94 175.37 2axx n ILE 76 N 5.27 1.51 -2.57 2.00 -5.35 -0.28 -4.91 119.36 115.03 2axx n ILE 76 Ca 0.17 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2axx n ILE 76 Cb 0.42 -2.07 0.00 0.00 -1.74 0.00 0.00 39.64 36.25 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 1.38 3.57 3.57 3.28 0.00 -1.06 -4.37 105.19 111.56 2axx n GLY 77 Ca -0.36 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 0.37 1.71 0.04 1.61 -1.05 -1.24 -0.73 118.70 119.41 2axx s GLU 78 Ca 0.00 -1.42 -0.32 0.00 -0.15 0.00 0.00 54.97 53.07 2axx s GLU 78 Cb 0.00 0.47 -0.11 0.00 -0.44 0.00 0.00 34.13 34.05 2axx s GLU 78 CO 0.00 -0.72 1.85 1.28 0.95 0.00 0.00 175.26 178.61 2axx n LEU 79 N -0.45 3.75 -4.54 1.83 7.99 -1.26 -0.77 117.00 123.56 2axx n LEU 79 Ca -0.01 0.98 -0.46 0.00 -0.01 0.00 0.00 56.01 56.50 2axx n LEU 79 Cb 0.62 -1.47 -0.02 0.00 -0.11 0.00 0.00 43.42 42.43 2axx n LEU 79 CO 0.25 0.04 0.44 1.57 -1.51 0.00 0.00 177.39 178.18 2axx n HIS 80 N 6.04 0.80 0.30 -1.77 -0.00 0.14 -4.76 115.22 115.98 2axx n HIS 80 Ca 0.20 0.78 0.18 0.00 0.46 0.00 0.00 57.72 59.33 2axx n HIS 80 Cb 0.34 -2.17 0.76 0.00 -0.12 0.00 0.00 29.99 28.80 2axx n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2axx h PRO 81 N 1.94 0.00 0.29 1.57 0.13 -1.91 -2.00 132.00 132.01 2axx h PRO 81 Ca -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2axx h PRO 81 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 2axx h PRO 81 CO 0.61 0.00 -0.26 0.22 -0.23 0.00 0.00 178.00 178.34 2axx h ASP 82 N 0.00 -0.69 -0.03 1.44 3.58 -1.99 -2.91 116.42 115.82 2axx h ASP 82 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2axx h ASP 82 Cb 0.38 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2axx h ASP 82 CO 0.00 -0.38 0.00 0.47 -2.88 0.00 0.00 179.24 176.45 2axx n ASP 83 N -5.38 0.75 -0.05 2.28 8.00 -0.76 -4.11 116.55 117.27 2axx n ASP 83 Ca -0.09 -2.02 -0.19 0.00 0.71 0.00 0.00 54.79 53.20 2axx n ASP 83 Cb 0.29 -0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2axx n ASP 83 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2axx h ARG 84 N 0.20 0.08 -0.96 -1.24 2.47 -1.42 -3.16 114.38 110.36 2axx h ARG 84 Ca 0.00 -0.14 0.03 0.00 -1.26 0.00 0.00 59.98 58.60 2axx h ARG 84 Cb 0.33 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.65 2axx h ARG 84 CO 0.01 1.07 0.63 1.03 0.56 0.00 0.00 179.97 183.27 2axx h SER 85 N -0.78 1.06 -0.29 7.04 0.87 -1.76 -2.89 113.55 116.81 2axx h SER 85 Ca -0.21 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 2axx h SER 85 Cb 1.35 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2axx h SER 85 CO -0.05 0.74 0.04 0.50 -0.53 0.00 0.00 176.83 177.53 2axx h LYS 86 N 1.24 0.49 -6.32 2.24 3.11 -1.82 -3.40 116.57 112.11 2axx h LYS 86 Ca 0.37 -0.14 -0.56 0.00 -2.81 0.00 0.00 60.65 57.51 2axx h LYS 86 Cb -0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.08 2axx h LYS 86 CO -0.10 0.61 1.21 0.42 -2.81 0.00 0.00 179.45 178.77 2axx s ILE 87 N -5.13 3.62 0.04 2.00 -1.09 -1.09 -4.77 121.20 114.77 2axx s ILE 87 Ca -0.13 0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 58.85 2axx s ILE 87 Cb 0.08 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2axx s ILE 87 CO 0.75 -0.67 -0.04 0.00 -1.23 0.00 0.00 174.94 173.75 2axx n ALA 88 N 10.14 2.63 -3.63 9.38 0.00 -1.26 -4.92 120.51 132.85 2axx n ALA 88 Ca 0.20 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 2axx n ALA 88 Cb 0.48 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 2axx n ALA 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2axx s LYS 89 N -1.85 0.74 0.89 0.00 2.20 -1.26 -5.18 119.74 115.29 2axx s LYS 89 Ca -0.03 1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 56.48 2axx s LYS 89 Cb 0.00 0.29 0.13 0.00 -1.51 0.00 0.00 37.83 36.74 2axx s LYS 89 CO 0.05 -0.11 1.12 -1.25 -0.36 0.00 0.00 175.35 174.80 2axx s PRO 90 N 0.82 1.29 -0.88 4.03 0.04 -1.26 -5.01 135.00 134.03 2axx s PRO 90 Ca -0.03 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2axx s PRO 90 Cb -0.05 -1.85 0.28 0.00 0.04 0.00 0.00 34.50 32.92 2axx s PRO 90 CO -0.07 -2.12 1.13 -1.13 0.04 0.00 0.00 177.00 174.85 2axx n SER 91 N -3.73 5.17 0.00 6.66 3.41 -1.26 -4.90 113.62 118.97 2axx n SER 91 Ca 0.06 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 2axx n SER 91 Cb 0.58 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2axx n SER 91 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2axx n GLU 92 N 1.18 0.00 -0.65 4.33 2.13 -1.26 -4.91 120.64 121.45 2axx n GLU 92 Ca 0.27 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.78 2axx n GLU 92 Cb 0.37 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.26 2axx n GLU 92 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2axx n THR 93 N 0.00 0.00 0.00 6.31 5.66 -1.26 -5.25 114.28 119.74 2axx n THR 93 Ca 0.00 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2axx n THR 93 Cb 0.00 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 2axx n THR 93 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20