#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 -2.25 0.00 -1.24 4.01 -1.26 -5.04 118.16 112.38 1axx n LYS 2 Ca 0.00 1.83 0.00 0.00 -0.51 0.00 0.00 58.31 59.63 1axx n LYS 2 Cb 0.00 -2.64 0.00 0.00 -0.51 0.00 0.00 35.03 31.88 1axx n LYS 2 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1axx n ASP 3 N -3.60 -4.89 0.00 4.39 2.03 -1.26 -4.89 116.55 108.32 1axx n ASP 3 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1axx n ASP 3 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1axx n VAL 4 N -1.41 0.00 -3.12 5.18 0.31 -1.26 -4.99 118.33 113.04 1axx n VAL 4 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1axx n VAL 4 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1axx n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1axx n LYS 5 N 0.00 1.82 -1.97 5.55 4.01 -1.26 -4.95 118.16 121.36 1axx n LYS 5 Ca 0.00 -3.95 -0.43 0.00 -0.51 0.00 0.00 58.31 53.42 1axx n LYS 5 Cb 0.00 -1.88 -0.03 0.00 -0.51 0.00 0.00 35.03 32.62 1axx n LYS 5 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1axx s TYR 6 N -2.68 1.81 0.05 2.13 2.02 -1.26 -1.15 117.35 118.28 1axx s TYR 6 Ca 0.43 0.46 0.07 0.00 -0.37 0.00 0.00 57.07 57.66 1axx s TYR 6 Cb 0.30 -4.04 -0.03 0.00 -0.40 0.00 0.00 41.96 37.79 1axx s TYR 6 CO -0.10 -3.38 -0.18 0.71 -1.57 0.00 0.00 175.55 171.03 1axx s TYR 7 N 5.98 2.55 0.42 2.71 2.02 0.26 -4.74 117.35 126.55 1axx s TYR 7 Ca 0.79 -0.26 -0.10 0.00 -0.37 0.00 0.00 57.07 57.14 1axx s TYR 7 Cb -0.27 -1.45 -0.06 0.00 -0.40 0.00 0.00 41.96 39.78 1axx s TYR 7 CO 0.32 0.27 0.77 0.95 -1.57 0.00 0.00 175.55 176.30 1axx s THR 8 N -0.95 4.80 0.11 -0.71 -4.23 -1.26 -0.08 115.64 113.32 1axx s THR 8 Ca 0.15 0.57 -0.33 0.00 -1.18 0.00 0.00 61.69 60.90 1axx s THR 8 Cb -0.10 -3.75 -0.12 0.00 1.34 0.00 0.00 72.50 69.86 1axx s THR 8 CO 0.06 -0.57 1.57 -0.07 -0.54 0.00 0.00 174.62 175.06 1axx h LEU 9 N 1.10 -1.48 -0.43 4.79 -0.00 -1.98 -0.71 115.31 116.60 1axx h LEU 9 Ca -0.47 0.16 0.09 0.00 -0.00 0.00 0.00 57.88 57.66 1axx h LEU 9 Cb 1.19 0.56 -0.09 0.00 -0.00 0.00 0.00 40.66 42.32 1axx h LEU 9 CO 0.63 -0.52 -0.19 -0.08 -0.00 0.00 0.00 178.44 178.28 1axx h GLU 10 N -0.68 -0.10 -0.05 1.13 4.81 -1.97 0.20 114.58 117.93 1axx h GLU 10 Ca 0.02 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1axx h GLU 10 Cb 0.72 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1axx h GLU 10 CO -0.31 -0.07 -0.14 1.49 -0.73 0.00 0.00 179.01 179.26 1axx h GLU 11 N -0.10 -0.20 -0.60 1.92 4.81 -1.83 0.13 114.58 118.69 1axx h GLU 11 Ca 0.21 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1axx h GLU 11 Cb 0.43 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1axx h GLU 11 CO -0.50 -0.14 0.37 0.82 -0.73 0.00 0.00 179.01 178.84 1axx h ILE 12 N -0.21 1.08 0.00 2.32 2.04 -0.23 -0.95 117.51 121.56 1axx h ILE 12 Ca 0.07 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1axx h ILE 12 Cb 0.30 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1axx h ILE 12 CO -0.18 0.14 0.00 -0.61 0.00 0.00 0.00 178.15 177.50 1axx h GLN 13 N 0.74 0.00 0.02 2.37 4.15 0.14 -2.11 115.11 120.42 1axx h GLN 13 Ca 0.24 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.43 1axx h GLN 13 Cb 0.01 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1axx h GLN 13 CO -0.09 0.00 -1.15 -0.22 -1.93 0.00 0.00 178.83 175.43 1axx h LYS 14 N 0.00 0.05 -5.50 1.69 3.11 0.43 -3.40 116.57 112.95 1axx h LYS 14 Ca 0.00 -0.08 -0.68 0.00 -2.81 0.00 0.00 60.65 57.08 1axx h LYS 14 Cb 0.23 0.03 -0.12 0.00 -1.00 0.00 0.00 32.23 31.37 1axx h LYS 14 CO 0.00 0.97 1.64 -1.01 -2.81 0.00 0.00 179.45 178.24 1axx s HIS 15 N -2.68 2.97 -0.38 1.91 3.76 -0.79 -4.77 115.29 115.31 1axx s HIS 15 Ca -0.01 -1.57 0.12 0.00 -0.15 0.00 0.00 55.06 53.45 1axx s HIS 15 Cb 0.09 -4.56 0.36 0.00 1.11 0.00 0.00 32.58 29.58 1axx s HIS 15 CO 0.83 -1.68 0.84 1.17 -0.85 0.00 0.00 174.74 175.05 1axx n LYS 16 N 7.50 1.01 -3.98 1.40 4.81 -1.26 -3.81 118.16 123.83 1axx n LYS 16 Ca 0.39 -3.10 -0.09 0.00 -0.87 0.00 0.00 58.31 54.64 1axx n LYS 16 Cb 0.47 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.99 1axx n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1axx s ASP 17 N -2.33 -0.02 -0.57 3.14 -1.08 -1.25 -5.04 116.67 109.51 1axx s ASP 17 Ca 0.35 -0.95 -0.24 0.00 -0.52 0.00 0.00 52.55 51.18 1axx s ASP 17 Cb 0.36 0.63 -0.22 0.00 -1.46 0.00 0.00 42.92 42.23 1axx s ASP 17 CO -0.06 -1.22 1.84 -1.20 0.52 0.00 0.00 175.17 175.06 1axx n SER 18 N -0.55 2.12 0.00 -0.34 7.64 -1.26 -2.29 113.62 118.95 1axx n SER 18 Ca -0.02 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1axx n SER 18 Cb 0.61 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 7.27 0.00 -3.37 1.43 2.85 -1.26 -5.09 118.16 119.99 1axx n LYS 19 Ca 0.49 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.63 1axx n LYS 19 Cb 0.41 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.70 1axx n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1axx s SER 20 N -1.65 0.73 -0.45 -5.58 0.01 -0.97 -4.97 113.70 100.82 1axx s SER 20 Ca 0.00 -0.19 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 1axx s SER 20 Cb 0.00 0.89 0.07 0.00 0.21 0.00 0.00 66.02 67.19 1axx s SER 20 CO 0.00 -0.34 0.34 -0.89 0.41 0.00 0.00 173.24 172.76 1axx s THR 21 N 2.48 4.90 0.08 1.44 2.01 -1.26 -3.95 115.64 121.34 1axx s THR 21 Ca 0.10 -1.13 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1axx s THR 21 Cb -0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1axx s THR 21 CO -0.23 -0.52 0.03 0.26 -0.69 0.00 0.00 174.62 173.47 1axx s TRP 22 N 1.57 3.06 -0.05 4.92 0.52 -1.25 -0.94 118.94 126.78 1axx s TRP 22 Ca 0.04 0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.13 1axx s TRP 22 Cb -0.23 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 1axx s TRP 22 CO 0.05 0.49 0.12 0.14 0.02 0.00 0.00 176.95 177.78 1axx s VAL 23 N -1.33 -0.01 -0.67 4.03 -7.23 -0.52 -0.41 120.40 114.26 1axx s VAL 23 Ca 0.27 0.04 -0.09 0.00 -1.81 0.00 0.00 61.98 60.38 1axx s VAL 23 Cb -0.12 -0.19 0.18 0.00 0.56 0.00 0.00 36.38 36.81 1axx s VAL 23 CO 0.19 0.02 0.56 0.27 -0.31 0.00 0.00 175.10 175.83 1axx s ILE 24 N 0.30 4.68 -0.23 -0.62 -4.36 -1.18 -0.63 121.20 119.17 1axx s ILE 24 Ca -0.02 -2.45 -0.26 0.00 -0.26 0.00 0.00 60.65 57.66 1axx s ILE 24 Cb -0.03 -3.98 -0.00 0.00 1.25 0.00 0.00 42.46 39.70 1axx s ILE 24 CO -0.01 -0.92 0.90 -0.76 0.24 0.00 0.00 174.94 174.39 1axx s LEU 25 N 0.40 4.10 0.00 0.37 1.43 -0.19 -3.28 118.68 121.51 1axx s LEU 25 Ca 0.14 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1axx s LEU 25 Cb -0.18 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1axx s LEU 25 CO -0.05 -0.55 0.00 1.41 0.23 0.00 0.00 176.35 177.39 1axx n HIS 26 N 5.99 0.00 -2.39 0.29 8.25 -1.26 -0.94 115.22 125.15 1axx n HIS 26 Ca 0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1axx n HIS 26 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 0.00 -0.00 -4.00 4.41 8.25 -1.26 -5.05 115.22 117.56 1axx n HIS 27 Ca 0.00 -0.76 -0.14 0.00 -0.26 0.00 0.00 57.72 56.56 1axx n HIS 27 Cb 0.00 0.16 -0.14 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.41 0.20 -0.17 -0.41 1.02 -0.12 -3.64 119.74 116.21 1axx s LYS 28 Ca 0.21 -0.11 -0.12 0.00 0.02 0.00 0.00 55.97 55.97 1axx s LYS 28 Cb 0.26 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1axx s LYS 28 CO -0.10 0.05 0.23 0.08 -0.92 0.00 0.00 175.35 174.69 1axx s VAL 29 N -0.11 5.35 -0.02 3.17 1.01 -0.51 -1.02 120.40 128.27 1axx s VAL 29 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1axx s VAL 29 Cb -0.01 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1axx s VAL 29 CO -0.00 0.43 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 1axx s TYR 30 N 0.25 2.04 -0.29 5.22 1.51 0.20 -1.64 117.35 124.65 1axx s TYR 30 Ca 0.14 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1axx s TYR 30 Cb -0.12 -1.31 -0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1axx s TYR 30 CO 0.02 -0.03 0.10 0.34 -1.11 0.00 0.00 175.55 174.87 1axx s ASP 31 N -0.54 5.28 -0.19 2.29 2.15 -1.09 -1.43 116.67 123.14 1axx s ASP 31 Ca 0.09 -0.53 0.16 0.00 0.43 0.00 0.00 52.55 52.69 1axx s ASP 31 Cb -0.09 -1.93 0.47 0.00 -0.30 0.00 0.00 42.92 41.07 1axx s ASP 31 CO -0.01 -0.16 1.36 0.18 -0.17 0.00 0.00 175.17 176.37 1axx n LEU 32 N 4.92 3.55 -0.08 -1.34 4.77 -0.11 -4.76 117.00 123.94 1axx n LEU 32 Ca -0.15 -3.19 -0.07 0.00 -0.03 0.00 0.00 56.01 52.57 1axx n LEU 32 Cb 0.49 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1axx n LEU 32 CO 0.32 0.80 0.87 0.74 -1.33 0.00 0.00 177.39 178.80 1axx h THR 33 N 1.22 0.81 -0.26 -5.08 2.02 -1.93 0.13 112.91 109.82 1axx h THR 33 Ca 0.04 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1axx h THR 33 Cb 1.37 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1axx h THR 33 CO 0.20 0.02 0.01 0.29 0.37 0.00 0.00 175.52 176.41 1axx n LYS 34 N -5.13 2.65 0.00 6.66 4.76 -1.26 -3.59 118.16 122.24 1axx n LYS 34 Ca 0.00 -1.37 0.00 0.00 -2.87 0.00 0.00 58.31 54.07 1axx n LYS 34 Cb 0.15 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 1axx n LYS 34 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1axx n PHE 35 N 0.25 0.00 0.18 2.13 7.35 0.37 -4.69 117.46 123.06 1axx n PHE 35 Ca 0.13 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.65 1axx n PHE 35 Cb 0.68 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.42 1axx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1axx h LEU 36 N 0.00 -1.37 -0.04 -2.13 3.38 -1.36 0.20 115.31 114.00 1axx h LEU 36 Ca 0.00 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1axx h LEU 36 Cb 0.10 0.49 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1axx h LEU 36 CO 0.00 -0.57 -0.37 -0.33 0.09 0.00 0.00 178.44 177.26 1axx h GLU 37 N -0.81 0.32 -0.94 1.13 4.39 -1.88 -2.50 114.58 114.28 1axx h GLU 37 Ca -0.02 -0.29 0.18 0.00 0.34 0.00 0.00 59.36 59.57 1axx h GLU 37 Cb 0.77 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.41 1axx h GLU 37 CO -0.18 0.96 0.60 0.93 -1.16 0.00 0.00 179.01 180.16 1axx h GLU 38 N -0.22 0.64 -6.07 2.33 4.39 -1.81 -3.42 114.58 110.42 1axx h GLU 38 Ca -0.04 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 58.95 1axx h GLU 38 Cb 1.06 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1axx h GLU 38 CO 0.07 0.42 1.25 1.58 -1.16 0.00 0.00 179.01 181.17 1axx n HIS 39 N -4.61 1.81 -2.14 4.33 -0.00 0.70 -4.81 115.22 110.49 1axx n HIS 39 Ca 0.20 0.31 -0.30 0.00 0.46 0.00 0.00 57.72 58.38 1axx n HIS 39 Cb 0.57 -2.53 -0.05 0.00 -0.12 0.00 0.00 29.99 27.85 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 5.27 2.70 0.00 1.57 0.04 -1.26 -0.80 135.00 142.52 1axx s PRO 40 Ca 1.05 -1.29 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1axx s PRO 40 Cb -0.90 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.36 1axx s PRO 40 CO 0.54 -3.75 0.00 0.41 0.04 0.00 0.00 177.00 174.24 1axx n GLY 41 N 5.75 0.87 0.00 0.56 0.00 -1.26 -5.16 105.19 105.95 1axx n GLY 41 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 1.54 0.13 -0.02 0.00 0.02 -4.90 105.19 101.96 1axx n GLY 42 Ca 0.00 -2.06 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 1axx n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1axx n GLU 43 N -1.54 0.64 -0.02 1.61 0.00 -0.94 -4.38 120.64 116.00 1axx n GLU 43 Ca 0.00 0.34 -0.10 0.00 0.00 0.00 0.00 57.16 57.40 1axx n GLU 43 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 31.44 29.78 1axx n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1axx h GLU 44 N -0.55 0.10 -1.08 5.31 4.81 -1.92 0.55 114.58 121.81 1axx h GLU 44 Ca -0.51 -0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.02 1axx h GLU 44 Cb 1.68 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.92 1axx h GLU 44 CO -0.17 0.07 0.67 -0.39 -0.73 0.00 0.00 179.01 178.45 1axx h VAL 45 N 0.11 0.41 0.01 0.32 -1.51 -1.90 0.34 116.25 114.02 1axx h VAL 45 Ca 0.06 -0.12 -0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1axx h VAL 45 Cb 0.05 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.23 1axx h VAL 45 CO -0.08 0.07 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.25 1axx h LEU 46 N 0.36 -0.01 0.00 4.19 -0.00 -0.25 -3.28 115.31 116.32 1axx h LEU 46 Ca 0.67 -0.44 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1axx h LEU 46 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.34 1axx h LEU 46 CO -0.41 0.44 0.00 -1.14 -0.00 0.00 0.00 178.44 177.33 1axx n ARG 47 N -4.88 0.08 -0.04 1.13 0.00 0.31 -1.52 116.66 111.74 1axx n ARG 47 Ca -0.08 0.11 -0.14 0.00 -0.00 0.00 0.00 57.85 57.73 1axx n ARG 47 Cb 0.23 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.08 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 0.08 0.00 -0.14 4.39 -0.49 -3.37 114.58 115.04 1axx h GLU 48 Ca 0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1axx h GLU 48 Cb 0.34 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1axx h GLU 48 CO 0.00 0.82 -1.36 1.04 -1.16 0.00 0.00 179.01 178.35 1axx n GLN 49 N -4.64 0.28 -1.25 2.33 1.13 -1.17 -4.96 117.38 109.11 1axx n GLN 49 Ca -0.09 -0.07 -0.39 0.00 -1.94 0.00 0.00 57.00 54.51 1axx n GLN 49 Cb 0.42 -1.52 0.02 0.00 0.11 0.00 0.00 30.24 29.27 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 -1.82 -3.05 -3.39 -1.58 0.00 -0.57 -3.42 120.51 106.68 1axx n ALA 50 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1axx n ALA 50 Cb 0.43 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 2.49 -0.84 0.00 0.00 0.00 0.46 -4.91 105.19 102.39 1axx n GLY 51 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1axx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axx n GLY 52 N -1.28 0.83 3.56 -0.02 0.00 -1.22 -4.51 105.19 102.55 1axx n GLY 52 Ca -0.16 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1axx n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1axx s ASP 53 N 0.00 5.03 0.18 1.61 -4.77 -1.26 -3.12 116.67 114.35 1axx s ASP 53 Ca 0.00 -0.07 0.26 0.00 -3.30 0.00 0.00 52.55 49.44 1axx s ASP 53 Cb 0.00 -2.54 0.88 0.00 -1.09 0.00 0.00 42.92 40.17 1axx s ASP 53 CO 0.00 -2.70 1.79 0.00 0.70 0.00 0.00 175.17 174.95 1axx n ALA 54 N 14.02 2.21 -0.21 2.11 0.00 -1.20 -3.45 120.51 133.98 1axx n ALA 54 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1axx n ALA 54 Cb 0.49 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 0.40 -1.00 0.00 2.02 -1.87 0.15 112.91 112.61 1axx h THR 55 Ca 0.00 -0.01 0.21 0.00 0.77 0.00 0.00 66.41 67.38 1axx h THR 55 Cb 0.66 0.36 -0.12 0.00 -1.74 0.00 0.00 68.15 67.31 1axx h THR 55 CO 0.00 0.01 0.59 -0.08 0.37 0.00 0.00 175.52 176.41 1axx h GLU 56 N 0.04 0.65 0.05 6.66 4.81 -1.93 0.26 114.58 125.12 1axx h GLU 56 Ca 0.32 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 1axx h GLU 56 Cb 0.51 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1axx h GLU 56 CO -0.61 0.43 -0.47 -0.97 -0.73 0.00 0.00 179.01 176.65 1axx h ASN 57 N 0.67 0.16 -0.86 1.04 -0.00 -1.52 -2.82 115.58 112.25 1axx h ASN 57 Ca 0.61 -0.92 0.12 0.00 -0.00 0.00 0.00 56.30 56.10 1axx h ASN 57 Cb 1.04 -0.05 -0.06 0.00 -0.00 0.00 0.00 38.32 39.24 1axx h ASN 57 CO -0.43 1.21 0.56 0.15 -0.00 0.00 0.00 177.43 178.92 1axx h PHE 58 N -0.77 0.82 0.01 0.67 3.04 0.01 -2.27 116.94 118.46 1axx h PHE 58 Ca -0.10 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.65 1axx h PHE 58 Cb 1.27 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 1axx h PHE 58 CO 0.23 0.34 -1.05 0.93 -2.02 0.00 0.00 178.31 176.73 1axx h GLU 59 N 0.73 0.02 -1.00 1.11 4.39 -0.64 0.59 114.58 119.77 1axx h GLU 59 Ca 0.42 -0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.24 1axx h GLU 59 Cb 0.60 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.17 1axx h GLU 59 CO -0.18 1.00 0.62 0.22 -1.16 0.00 0.00 179.01 179.51 1axx h ASP 60 N 0.01 0.85 0.25 1.42 3.58 -1.14 -1.00 116.42 120.39 1axx h ASP 60 Ca -0.03 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1axx h ASP 60 Cb 1.80 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.76 1axx h ASP 60 CO 0.13 0.38 -0.12 0.58 -2.88 0.00 0.00 179.24 177.33 1axx h VAL 61 N 0.87 0.75 -3.72 2.25 2.07 -1.37 -3.49 116.25 113.62 1axx h VAL 61 Ca 0.54 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1axx h VAL 61 Cb 0.70 1.15 0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1axx h VAL 61 CO -0.32 0.15 -0.10 0.61 0.02 0.00 0.00 177.57 177.93 1axx n GLY 62 N 0.01 -0.24 3.44 2.17 0.00 0.19 -4.99 105.19 105.76 1axx n GLY 62 Ca -0.09 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1axx n HIS 63 N -1.53 -0.96 -0.78 1.61 8.25 -1.25 -5.00 115.22 115.56 1axx n HIS 63 Ca -0.01 0.19 -0.32 0.00 -0.26 0.00 0.00 57.72 57.32 1axx n HIS 63 Cb 0.51 -1.76 0.15 0.00 1.12 0.00 0.00 29.99 30.02 1axx n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1axx n SER 64 N -2.51 0.12 -0.27 0.41 7.64 -1.26 -4.88 113.62 112.87 1axx n SER 64 Ca 0.06 0.44 -0.04 0.00 1.01 0.00 0.00 58.87 60.34 1axx n SER 64 Cb 0.55 -1.44 0.07 0.00 -1.01 0.00 0.00 64.21 62.38 1axx n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1axx h THR 65 N -1.64 1.17 -0.66 0.44 2.02 -2.00 -1.77 112.91 110.47 1axx h THR 65 Ca -0.44 -0.34 0.11 0.00 0.77 0.00 0.00 66.41 66.52 1axx h THR 65 Cb 1.28 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 1axx h THR 65 CO 0.41 0.18 0.24 0.44 0.37 0.00 0.00 175.52 177.16 1axx h ASP 66 N 0.99 0.21 -0.86 4.18 3.32 -2.00 -1.14 116.42 121.11 1axx h ASP 66 Ca 0.28 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.47 1axx h ASP 66 Cb -0.08 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1axx h ASP 66 CO -0.07 0.10 0.55 0.00 -1.72 0.00 0.00 179.24 178.10 1axx h ALA 67 N 1.48 1.16 0.31 3.45 0.00 -1.68 0.22 119.26 124.20 1axx h ALA 67 Ca 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1axx h ALA 67 Cb 0.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1axx h ALA 67 CO -0.36 0.36 -0.28 0.00 0.00 0.00 0.00 179.25 178.97 1axx h ARG 68 N 1.04 -0.59 -0.23 0.00 2.47 -0.96 0.32 114.38 116.44 1axx h ARG 68 Ca 0.36 0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 59.08 1axx h ARG 68 Cb 0.07 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1axx h ARG 68 CO -0.14 -0.39 0.00 0.93 0.56 0.00 0.00 179.97 180.93 1axx h GLU 69 N -0.61 0.40 -0.86 0.04 4.39 -1.14 -2.96 114.58 113.83 1axx h GLU 69 Ca -0.02 -0.13 0.08 0.00 0.34 0.00 0.00 59.36 59.64 1axx h GLU 69 Cb 0.55 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1axx h GLU 69 CO -0.04 0.58 0.52 1.25 -1.16 0.00 0.00 179.01 180.16 1axx h LEU 70 N 0.17 0.79 -0.67 1.33 5.85 -0.52 0.42 115.31 122.67 1axx h LEU 70 Ca 0.06 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.95 1axx h LEU 70 Cb 0.40 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.17 1axx h LEU 70 CO 0.01 0.48 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.19 1axx h SER 71 N 0.91 -0.53 -0.67 1.25 0.87 -0.20 0.57 113.55 115.75 1axx h SER 71 Ca 0.40 0.19 0.07 0.00 -1.23 0.00 0.00 61.79 61.22 1axx h SER 71 Cb 0.27 0.38 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 1axx h SER 71 CO -0.21 -0.20 0.36 0.11 -0.53 0.00 0.00 176.83 176.36 1axx h LYS 72 N 0.03 0.63 -0.07 2.24 1.57 -0.79 0.22 116.57 120.39 1axx h LYS 72 Ca 0.34 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1axx h LYS 72 Cb 0.53 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1axx h LYS 72 CO -0.66 0.42 0.12 1.15 -0.57 0.00 0.00 179.45 179.90 1axx h THR 73 N 0.65 0.30 -0.17 -0.16 2.02 -0.59 -0.41 112.91 114.55 1axx h THR 73 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1axx h THR 73 Cb 0.23 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1axx h THR 73 CO -0.21 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.46 1axx n TYR 74 N -3.51 0.20 -2.18 3.16 4.01 0.65 -4.95 117.16 114.55 1axx n TYR 74 Ca -0.01 -0.10 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 1axx n TYR 74 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.80 3.79 -0.21 -0.72 2.07 -0.17 -2.66 121.20 121.51 1axx s ILE 75 Ca 0.33 1.03 -0.10 0.00 -1.41 0.00 0.00 60.65 60.51 1axx s ILE 75 Cb 0.21 -3.67 -0.19 0.00 0.13 0.00 0.00 42.46 38.94 1axx s ILE 75 CO 0.31 -0.07 0.04 2.30 -1.91 0.00 0.00 174.94 175.61 1axx n ILE 76 N 5.21 1.60 -0.96 2.00 -5.35 -0.65 -4.96 119.36 116.26 1axx n ILE 76 Ca 0.15 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1axx n ILE 76 Cb 0.43 -1.77 0.00 0.00 -1.74 0.00 0.00 39.64 36.56 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 1.76 2.27 3.68 3.28 0.00 -1.16 -4.34 105.19 110.67 1axx n GLY 77 Ca -0.40 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 1axx n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1axx s GLU 78 N 3.05 1.59 0.31 1.61 -1.05 -0.30 -1.42 118.70 122.49 1axx s GLU 78 Ca 0.00 -0.96 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 1axx s GLU 78 Cb 0.00 0.56 -0.11 0.00 -0.44 0.00 0.00 34.13 34.14 1axx s GLU 78 CO 0.00 -0.70 1.45 -0.51 0.95 0.00 0.00 175.26 176.45 1axx s LEU 79 N -2.91 4.37 0.31 1.83 1.02 -1.24 -0.57 118.68 121.49 1axx s LEU 79 Ca 0.12 2.82 -0.26 0.00 0.02 0.00 0.00 54.13 56.82 1axx s LEU 79 Cb -0.03 -3.64 -0.14 0.00 0.02 0.00 0.00 46.19 42.40 1axx s LEU 79 CO 0.03 -0.74 0.81 1.57 0.02 0.00 0.00 176.35 178.04 1axx n HIS 80 N 1.47 0.53 0.26 0.29 -0.00 0.88 -4.66 115.22 113.99 1axx n HIS 80 Ca 0.04 0.72 0.14 0.00 0.46 0.00 0.00 57.72 59.08 1axx n HIS 80 Cb 0.40 -2.13 0.70 0.00 -0.12 0.00 0.00 29.99 28.84 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 1.49 0.00 -0.07 1.57 0.13 -1.91 -1.46 132.00 131.75 1axx h PRO 81 Ca -0.38 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1axx h PRO 81 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1axx h PRO 81 CO 0.57 0.11 -0.21 0.22 -0.23 0.00 0.00 178.00 178.46 1axx h ASP 82 N 0.00 -0.69 -0.50 1.44 1.82 -1.99 0.22 116.42 116.72 1axx h ASP 82 Ca -0.00 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1axx h ASP 82 Cb 0.44 0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.70 1axx h ASP 82 CO 0.01 -0.18 0.15 -0.78 -1.61 0.00 0.00 179.24 176.83 1axx h ASP 83 N -0.21 0.74 -0.91 2.28 3.58 -1.83 -2.86 116.42 117.20 1axx h ASP 83 Ca 0.02 -0.21 0.16 0.00 0.42 0.00 0.00 57.03 57.42 1axx h ASP 83 Cb 0.26 -0.19 -0.10 0.00 1.72 0.00 0.00 39.33 41.02 1axx h ASP 83 CO -0.18 0.75 0.50 -0.09 -2.88 0.00 0.00 179.24 177.33 1axx h ARG 84 N 0.68 0.66 0.00 0.28 2.43 -0.99 0.36 114.38 117.80 1axx h ARG 84 Ca 0.16 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1axx h ARG 84 Cb 0.28 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1axx h ARG 84 CO -0.00 0.44 -0.06 0.77 -1.51 0.00 0.00 179.97 179.60 1axx h SER 85 N 0.68 0.00 -1.08 -3.80 0.02 -0.34 -3.33 113.55 105.70 1axx h SER 85 Ca 0.50 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 61.09 1axx h SER 85 Cb 0.73 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.95 1axx h SER 85 CO -0.37 0.06 -0.95 1.17 -1.14 0.00 0.00 176.83 175.61 1axx n LYS 86 N -3.29 1.06 -1.72 3.45 0.00 0.95 -5.10 118.16 113.51 1axx n LYS 86 Ca -0.01 -2.87 -0.60 0.00 0.00 0.00 0.00 58.31 54.83 1axx n LYS 86 Cb 0.25 -1.23 -0.08 0.00 0.00 0.00 0.00 35.03 33.97 1axx n LYS 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1axx n ILE 87 N 0.08 0.23 -3.05 3.15 5.41 0.49 -4.84 119.36 120.85 1axx n ILE 87 Ca 0.13 -0.04 -0.19 0.00 1.00 0.00 0.00 62.75 63.65 1axx n ILE 87 Cb 0.74 -1.05 0.05 0.00 -0.71 0.00 0.00 39.64 38.67 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1axx s ALA 88 N 3.46 4.68 -0.52 -1.39 0.00 -1.26 -5.09 121.76 121.63 1axx s ALA 88 Ca 1.00 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1axx s ALA 88 Cb -1.18 -1.48 0.13 0.00 0.00 0.00 0.00 23.12 20.60 1axx s ALA 88 CO 0.70 -0.75 0.27 0.15 0.00 0.00 0.00 175.76 176.13 1axx s LYS 89 N -4.60 2.05 0.33 0.00 1.02 -1.26 -5.10 119.74 112.18 1axx s LYS 89 Ca 0.60 -2.48 -0.29 0.00 0.02 0.00 0.00 55.97 53.83 1axx s LYS 89 Cb -0.06 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.73 1axx s LYS 89 CO 0.38 -1.10 1.26 -1.25 -0.92 0.00 0.00 175.35 173.72 1axx s PRO 90 N -0.03 4.37 -0.11 -1.68 0.04 -1.26 -4.95 135.00 131.38 1axx s PRO 90 Ca 0.16 2.12 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 1axx s PRO 90 Cb -0.24 -3.06 -0.27 0.00 0.04 0.00 0.00 34.50 30.98 1axx s PRO 90 CO -0.02 -0.14 0.63 1.03 0.04 0.00 0.00 177.00 178.54 1axx h SER 91 N 3.38 0.30 0.00 6.66 0.87 -2.09 -3.50 113.55 119.17 1axx h SER 91 Ca -0.49 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.22 1axx h SER 91 Cb 1.22 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1axx h SER 91 CO 0.65 1.46 0.00 -1.84 -0.53 0.00 0.00 176.83 176.57 1axx n GLU 92 N -4.13 0.00 -3.62 2.24 0.28 -1.26 -4.93 120.64 109.21 1axx n GLU 92 Ca -0.21 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.65 1axx n GLU 92 Cb 0.79 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.60 1axx n GLU 92 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1axx s THR 93 N 0.00 0.00 -2.00 3.84 2.01 -1.26 -5.30 115.64 112.93 1axx s THR 93 Ca 0.00 0.00 0.12 0.00 0.31 0.00 0.00 61.69 62.12 1axx s THR 93 Cb 0.00 -1.00 0.35 0.00 0.01 0.00 0.00 72.50 71.86 1axx s THR 93 CO 0.00 0.00 1.16 -0.11 -0.69 0.00 0.00 174.62 174.98