#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axx s LYS 2 N 0.00 0.09 0.45 0.11 3.01 -1.26 -5.04 119.74 117.11 1axx s LYS 2 Ca 0.00 0.11 0.12 0.00 -1.01 0.00 0.00 55.97 55.20 1axx s LYS 2 Cb 0.00 0.04 1.03 0.00 -1.01 0.00 0.00 37.83 37.89 1axx s LYS 2 CO 0.00 -0.01 2.06 0.22 0.51 0.00 0.00 175.35 178.12 1axx h ASP 3 N 6.05 0.17 0.00 2.83 1.82 -2.06 -3.42 116.42 121.81 1axx h ASP 3 Ca -0.25 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1axx h ASP 3 Cb 1.20 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1axx h ASP 3 CO 0.46 0.19 0.00 1.33 -1.61 0.00 0.00 179.24 179.61 1axx n VAL 4 N -4.44 0.00 -2.68 2.25 0.24 -1.26 -5.04 118.33 107.40 1axx n VAL 4 Ca -0.01 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.24 1axx n VAL 4 Cb 0.14 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.61 1axx n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1axx n LYS 5 N 0.00 0.45 -0.82 7.34 5.02 -1.26 -4.84 118.16 124.05 1axx n LYS 5 Ca 0.00 -1.11 -0.36 0.00 -2.02 0.00 0.00 58.31 54.82 1axx n LYS 5 Cb 0.00 -0.41 -0.07 0.00 -0.02 0.00 0.00 35.03 34.54 1axx n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1axx n TYR 6 N 0.35 0.78 -4.88 2.13 4.01 -1.26 -3.89 117.16 114.41 1axx n TYR 6 Ca -0.04 0.52 -0.32 0.00 -0.16 0.00 0.00 57.90 57.90 1axx n TYR 6 Cb 0.74 -1.31 -0.13 0.00 -0.31 0.00 0.00 39.34 38.32 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 2.89 2.57 0.60 -0.72 2.02 0.72 -4.74 117.35 120.69 1axx s TYR 7 Ca 0.66 -0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.98 1axx s TYR 7 Cb -0.87 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1axx s TYR 7 CO 0.41 0.17 1.03 0.95 -1.57 0.00 0.00 175.55 176.54 1axx s THR 8 N -0.79 4.42 0.12 -0.71 -4.23 -1.26 -0.23 115.64 112.96 1axx s THR 8 Ca 0.12 0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 61.32 1axx s THR 8 Cb -0.10 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 1axx s THR 8 CO 0.02 -0.88 1.64 -0.07 -0.54 0.00 0.00 174.62 174.79 1axx h LEU 9 N 0.07 -0.72 -0.67 4.79 -0.00 -1.97 -1.44 115.31 115.37 1axx h LEU 9 Ca -0.45 0.10 0.08 0.00 -0.00 0.00 0.00 57.88 57.61 1axx h LEU 9 Cb 1.20 0.30 -0.11 0.00 -0.00 0.00 0.00 40.66 42.05 1axx h LEU 9 CO 0.60 -0.31 -0.51 -0.08 -0.00 0.00 0.00 178.44 178.14 1axx h GLU 10 N -0.37 -0.20 -0.11 1.13 4.81 -1.95 0.49 114.58 118.39 1axx h GLU 10 Ca 0.07 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1axx h GLU 10 Cb 0.46 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1axx h GLU 10 CO -0.23 -0.13 -0.13 1.49 -0.73 0.00 0.00 179.01 179.29 1axx h GLU 11 N -0.20 -0.15 -0.37 1.92 4.81 -1.83 0.20 114.58 118.95 1axx h GLU 11 Ca 0.16 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1axx h GLU 11 Cb 0.54 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1axx h GLU 11 CO -0.75 -0.10 0.26 0.82 -0.73 0.00 0.00 179.01 178.50 1axx h ILE 12 N -0.16 0.89 -0.01 2.32 2.04 -0.11 0.12 117.51 122.60 1axx h ILE 12 Ca 0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1axx h ILE 12 Cb 0.28 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1axx h ILE 12 CO -0.21 0.03 -0.04 1.67 0.00 0.00 0.00 178.15 179.60 1axx n GLN 13 N -4.46 1.51 -0.00 2.37 -0.06 0.16 -3.77 117.38 113.13 1axx n GLN 13 Ca 0.05 -0.87 -0.21 0.00 -2.00 0.00 0.00 57.00 53.98 1axx n GLN 13 Cb 0.33 -1.48 -0.14 0.00 -4.06 0.00 0.00 30.24 24.89 1axx n GLN 13 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1axx n LYS 14 N 0.02 0.75 -1.44 3.69 4.01 0.54 -4.51 118.16 121.22 1axx n LYS 14 Ca 0.18 0.25 -0.40 0.00 -0.51 0.00 0.00 58.31 57.84 1axx n LYS 14 Cb 0.35 -1.70 -0.02 0.00 -0.51 0.00 0.00 35.03 33.15 1axx n LYS 14 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1axx n HIS 15 N -3.45 2.76 -2.42 2.13 8.25 -0.98 -4.14 115.22 117.36 1axx n HIS 15 Ca -0.32 -3.04 0.01 0.00 -0.26 0.00 0.00 57.72 54.11 1axx n HIS 15 Cb 1.04 -2.51 0.06 0.00 1.12 0.00 0.00 29.99 29.70 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 4.41 0.89 -3.49 -0.41 -0.00 -1.23 -2.11 118.16 116.22 1axx n LYS 16 Ca 0.70 -2.70 -0.23 0.00 -0.00 0.00 0.00 58.31 56.08 1axx n LYS 16 Cb 0.28 -0.78 0.01 0.00 -0.00 0.00 0.00 35.03 34.55 1axx n LYS 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1axx s ASP 17 N -2.73 4.92 -1.56 -5.58 -1.08 -1.23 -4.99 116.67 104.41 1axx s ASP 17 Ca 0.34 -0.98 -0.10 0.00 -0.52 0.00 0.00 52.55 51.29 1axx s ASP 17 Cb 0.37 0.16 -0.08 0.00 -1.46 0.00 0.00 42.92 41.90 1axx s ASP 17 CO -0.11 -1.10 2.87 -1.54 0.52 0.00 0.00 175.17 175.82 1axx n SER 18 N -1.90 8.30 0.14 -0.34 3.41 -1.26 -3.79 113.62 118.18 1axx n SER 18 Ca 0.06 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1axx n SER 18 Cb 0.63 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1axx n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1axx n LYS 19 N 3.72 0.00 -3.99 4.33 3.00 -1.26 -5.10 118.16 118.86 1axx n LYS 19 Ca 0.75 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.72 1axx n LYS 19 Cb 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.11 1axx n LYS 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1axx s SER 20 N -1.61 4.33 -0.37 3.14 1.04 -1.25 -4.85 113.70 114.13 1axx s SER 20 Ca 0.00 -1.03 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 1axx s SER 20 Cb 0.00 -1.63 0.02 0.00 0.10 0.00 0.00 66.02 64.51 1axx s SER 20 CO 0.00 -0.15 0.22 -0.89 0.98 0.00 0.00 173.24 173.40 1axx s THR 21 N 1.26 4.77 0.35 2.02 2.01 -1.26 -3.48 115.64 121.32 1axx s THR 21 Ca -0.02 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1axx s THR 21 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1axx s THR 21 CO -0.05 -0.19 0.52 0.26 -0.69 0.00 0.00 174.62 174.48 1axx s TRP 22 N 1.60 3.30 -0.25 4.92 0.52 -0.90 -2.56 118.94 125.58 1axx s TRP 22 Ca 0.03 0.08 -0.22 0.00 0.02 0.00 0.00 56.10 56.02 1axx s TRP 22 Cb -0.19 -1.98 0.07 0.00 -1.15 0.00 0.00 33.47 30.22 1axx s TRP 22 CO 0.08 0.01 0.66 0.14 0.02 0.00 0.00 176.95 177.86 1axx s VAL 23 N -2.28 -0.00 -0.29 4.03 -7.23 -0.95 0.02 120.40 113.71 1axx s VAL 23 Ca 0.43 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.50 1axx s VAL 23 Cb -0.10 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 1axx s VAL 23 CO 0.34 0.00 0.15 0.27 -0.31 0.00 0.00 175.10 175.55 1axx s ILE 24 N 0.54 4.77 -0.16 -0.62 -5.25 -0.97 -0.86 121.20 118.66 1axx s ILE 24 Ca -0.02 -0.17 0.00 0.00 -0.99 0.00 0.00 60.65 59.48 1axx s ILE 24 Cb -0.05 -3.34 0.03 0.00 2.95 0.00 0.00 42.46 42.05 1axx s ILE 24 CO -0.02 0.19 -0.14 -0.76 -1.79 0.00 0.00 174.94 172.42 1axx s LEU 25 N 1.66 1.85 -1.19 0.37 1.43 0.21 -3.07 118.68 119.94 1axx s LEU 25 Ca 0.06 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1axx s LEU 25 Cb -0.16 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1axx s LEU 25 CO 0.07 -0.07 0.88 1.41 0.23 0.00 0.00 176.35 178.87 1axx n HIS 26 N 4.74 -2.15 -3.15 0.29 8.25 -1.26 -2.44 115.22 119.50 1axx n HIS 26 Ca -0.17 0.86 -0.22 0.00 -0.26 0.00 0.00 57.72 57.93 1axx n HIS 26 Cb 0.49 -4.58 0.01 0.00 1.12 0.00 0.00 29.99 27.04 1axx n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1axx n HIS 27 N -3.98 -1.85 -3.73 4.41 -0.00 -1.26 -4.96 115.22 103.84 1axx n HIS 27 Ca -0.23 0.47 -0.15 0.00 0.46 0.00 0.00 57.72 58.27 1axx n HIS 27 Cb 0.66 -3.68 -0.15 0.00 -0.12 0.00 0.00 29.99 26.69 1axx n HIS 27 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1axx s LYS 28 N -5.81 0.05 -0.22 1.57 1.02 -1.02 -4.19 119.74 111.13 1axx s LYS 28 Ca 0.33 0.37 -0.20 0.00 0.02 0.00 0.00 55.97 56.49 1axx s LYS 28 Cb -0.16 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 36.89 1axx s LYS 28 CO 0.41 -0.20 0.60 0.08 -0.92 0.00 0.00 175.35 175.32 1axx s VAL 29 N 1.40 5.03 -0.15 3.17 1.01 0.43 -0.62 120.40 130.67 1axx s VAL 29 Ca -0.06 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 1axx s VAL 29 Cb -0.12 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1axx s VAL 29 CO -0.05 0.09 -0.12 -0.31 0.00 0.00 0.00 175.10 174.71 1axx s TYR 30 N 2.08 2.84 -0.27 5.22 2.02 -0.04 -0.99 117.35 128.22 1axx s TYR 30 Ca 0.26 -0.81 -0.20 0.00 -0.37 0.00 0.00 57.07 55.95 1axx s TYR 30 Cb -0.16 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1axx s TYR 30 CO 0.09 -0.35 0.62 0.34 -1.57 0.00 0.00 175.55 174.69 1axx s ASP 31 N 0.69 6.54 -0.20 2.29 -1.08 -0.44 -2.24 116.67 122.23 1axx s ASP 31 Ca -0.06 0.62 0.13 0.00 -0.52 0.00 0.00 52.55 52.72 1axx s ASP 31 Cb -0.15 -2.33 0.41 0.00 -1.46 0.00 0.00 42.92 39.38 1axx s ASP 31 CO 0.02 -0.39 1.25 0.18 0.52 0.00 0.00 175.17 176.75 1axx n LEU 32 N 5.74 2.89 -0.12 -1.34 4.77 -1.06 -4.80 117.00 123.09 1axx n LEU 32 Ca -0.01 -3.66 -0.06 0.00 -0.03 0.00 0.00 56.01 52.25 1axx n LEU 32 Cb 0.49 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1axx n LEU 32 CO 0.43 1.19 0.97 0.74 -1.33 0.00 0.00 177.39 179.39 1axx h THR 33 N 0.80 0.94 -0.50 -5.08 2.02 -1.89 0.19 112.91 109.39 1axx h THR 33 Ca 0.03 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1axx h THR 33 Cb 1.12 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1axx h THR 33 CO 0.07 0.06 0.00 0.29 0.37 0.00 0.00 175.52 176.31 1axx n LYS 34 N -4.96 4.39 0.00 6.66 5.02 -1.26 -4.01 118.16 124.00 1axx n LYS 34 Ca 0.02 -2.73 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 1axx n LYS 34 Cb 0.11 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 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 0.54 0.00 0.22 2.13 7.35 -0.04 -4.64 117.46 123.03 1axx n PHE 35 Ca 0.24 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.76 1axx n PHE 35 Cb 1.07 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.81 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 0.04 -1.44 -0.06 -2.13 3.38 -1.43 0.21 115.31 113.89 1axx h LEU 36 Ca 0.00 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1axx h LEU 36 Cb 0.01 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1axx h LEU 36 CO 0.00 -0.62 -0.23 -0.33 0.09 0.00 0.00 178.44 177.35 1axx h GLU 37 N -0.90 0.26 -0.95 1.13 5.08 -1.87 -2.87 114.58 114.46 1axx h GLU 37 Ca -0.04 -0.20 0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1axx h GLU 37 Cb 0.82 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 1axx h GLU 37 CO -0.15 0.84 0.60 0.93 -1.00 0.00 0.00 179.01 180.23 1axx h GLU 38 N -0.27 0.71 -6.03 2.33 5.08 -1.80 -3.42 114.58 111.18 1axx h GLU 38 Ca -0.01 -0.04 -0.73 0.00 -1.00 0.00 0.00 59.36 57.57 1axx h GLU 38 Cb 0.87 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1axx h GLU 38 CO 0.05 0.47 1.20 1.58 -1.00 0.00 0.00 179.01 181.31 1axx n HIS 39 N -4.62 1.61 -1.91 4.33 -0.00 0.73 -4.79 115.22 110.56 1axx n HIS 39 Ca 0.20 0.55 -0.32 0.00 0.46 0.00 0.00 57.72 58.60 1axx n HIS 39 Cb 0.51 -2.42 -0.06 0.00 -0.12 0.00 0.00 29.99 27.90 1axx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1axx n PRO 40 N 6.95 1.70 0.00 1.57 -0.04 -1.26 -1.28 135.00 142.64 1axx n PRO 40 Ca 0.41 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1axx n PRO 40 Cb 0.10 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 1axx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1axx n GLY 41 N 5.49 0.65 0.00 0.55 0.00 -1.26 -5.17 105.19 105.45 1axx n GLY 41 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 2.55 0.12 -0.02 0.00 -0.41 -4.88 105.19 102.55 1axx n GLY 42 Ca 0.00 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.79 0.62 -0.12 1.61 0.00 -1.08 -4.17 120.64 115.72 1axx n GLU 43 Ca 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 57.16 57.47 1axx n GLU 43 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 29.79 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 -0.67 0.50 -1.00 5.31 4.81 -1.93 0.55 114.58 122.15 1axx h GLU 44 Ca -0.48 -0.03 0.21 0.00 -0.13 0.00 0.00 59.36 58.93 1axx h GLU 44 Cb 1.60 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.76 1axx h GLU 44 CO -0.19 0.33 0.62 -0.39 -0.73 0.00 0.00 179.01 178.64 1axx h VAL 45 N 0.51 0.64 -0.30 0.32 -1.51 -1.90 0.29 116.25 114.31 1axx h VAL 45 Ca 0.14 -0.21 -0.15 0.00 -1.23 0.00 0.00 66.70 65.25 1axx h VAL 45 Cb -0.05 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.07 1axx h VAL 45 CO -0.04 0.11 -0.43 -0.07 -1.23 0.00 0.00 177.57 175.91 1axx h LEU 46 N 0.62 0.81 -2.83 4.19 3.38 -0.27 -3.19 115.31 118.03 1axx h LEU 46 Ca 0.58 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1axx h LEU 46 Cb 1.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1axx h LEU 46 CO -0.36 1.13 0.03 -1.14 0.09 0.00 0.00 178.44 178.20 1axx n ARG 47 N -4.03 3.59 0.19 1.13 0.00 0.95 -4.13 116.66 114.36 1axx n ARG 47 Ca -0.02 -2.19 -0.11 0.00 -0.00 0.00 0.00 57.85 55.53 1axx n ARG 47 Cb 0.55 -2.02 -0.06 0.00 0.00 0.00 0.00 32.46 30.93 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 2.63 -0.53 0.00 -0.14 4.39 -0.55 -3.42 114.58 116.97 1axx h GLU 48 Ca 0.03 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1axx h GLU 48 Cb 1.59 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 1axx h GLU 48 CO 0.38 -0.26 0.00 1.04 -1.16 0.00 0.00 179.01 179.01 1axx n GLN 49 N -5.15 0.00 -1.39 2.33 1.13 -1.26 -5.11 117.38 107.93 1axx n GLN 49 Ca -0.08 0.12 0.07 0.00 -1.94 0.00 0.00 57.00 55.17 1axx n GLN 49 Cb 0.26 -0.49 -0.04 0.00 0.11 0.00 0.00 30.24 30.08 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 -1.72 -2.57 -4.21 -1.58 0.00 -1.26 -4.87 120.51 104.30 1axx n ALA 50 Ca 0.00 0.63 -0.35 0.00 0.00 0.00 0.00 53.44 53.72 1axx n ALA 50 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 -3.25 -0.33 3.86 0.00 0.00 0.10 -4.85 105.19 100.72 1axx n GLY 51 Ca -0.04 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1axx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1axx s GLY 52 N -4.11 -0.28 -0.59 -0.02 0.00 -1.26 -4.59 107.32 96.47 1axx s GLY 52 Ca 0.15 0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.97 1axx s GLY 52 CO 0.96 4.05 2.01 -0.35 0.00 0.00 0.00 173.10 179.77 1axx s ASP 53 N -3.56 5.04 0.00 1.64 -1.08 -1.26 -2.28 116.67 115.17 1axx s ASP 53 Ca 0.25 0.50 0.27 0.00 -0.52 0.00 0.00 52.55 53.05 1axx s ASP 53 Cb 0.02 -2.52 0.77 0.00 -1.46 0.00 0.00 42.92 39.73 1axx s ASP 53 CO -0.03 -2.53 1.58 0.00 0.52 0.00 0.00 175.17 174.72 1axx n ALA 54 N 13.63 2.71 -0.16 3.66 0.00 -1.17 -4.49 120.51 134.68 1axx n ALA 54 Ca 0.25 -0.49 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1axx n ALA 54 Cb 0.53 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 2.58 0.42 -0.89 0.00 2.02 -1.85 0.12 112.91 115.31 1axx h THR 55 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 1axx h THR 55 Cb 0.61 0.42 -0.16 0.00 -1.74 0.00 0.00 68.15 67.28 1axx h THR 55 CO 0.00 0.00 0.07 -0.08 0.37 0.00 0.00 175.52 175.88 1axx h GLU 56 N -0.06 0.08 -0.00 6.66 4.22 -1.93 0.19 114.58 123.75 1axx h GLU 56 Ca 0.24 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 1axx h GLU 56 Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1axx h GLU 56 CO -0.54 0.05 -0.05 -0.97 -2.18 0.00 0.00 179.01 175.32 1axx h ASN 57 N 0.08 0.04 -0.97 1.04 -0.73 -1.25 0.25 115.58 114.04 1axx h ASN 57 Ca 0.53 -0.79 0.18 0.00 1.87 0.00 0.00 56.30 58.09 1axx h ASN 57 Cb 1.05 -0.01 -0.10 0.00 0.27 0.00 0.00 38.32 39.52 1axx h ASN 57 CO -0.78 0.83 0.57 0.15 -0.37 0.00 0.00 177.43 177.83 1axx h PHE 58 N -0.74 1.01 0.09 0.67 3.57 -0.30 -2.02 116.94 119.22 1axx h PHE 58 Ca -0.01 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.25 1axx h PHE 58 Cb 0.84 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1axx h PHE 58 CO 0.20 0.22 -1.37 0.93 -2.23 0.00 0.00 178.31 176.06 1axx h GLU 59 N 0.73 0.19 -0.60 1.11 4.39 -0.64 0.78 114.58 120.55 1axx h GLU 59 Ca 0.56 -0.32 0.12 0.00 0.34 0.00 0.00 59.36 60.06 1axx h GLU 59 Cb 0.85 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.52 1axx h GLU 59 CO -0.38 1.07 -0.02 0.22 -1.16 0.00 0.00 179.01 178.73 1axx h ASP 60 N 0.05 -0.31 1.49 1.42 3.58 0.20 0.05 116.42 122.91 1axx h ASP 60 Ca -0.17 0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 1axx h ASP 60 Cb 1.96 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 43.27 1axx h ASP 60 CO 0.16 -0.12 -0.52 0.58 -2.88 0.00 0.00 179.24 176.46 1axx h VAL 61 N 0.10 0.64 0.00 2.25 2.07 -1.48 -3.48 116.25 116.35 1axx h VAL 61 Ca 0.31 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1axx h VAL 61 Cb 0.49 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1axx h VAL 61 CO -0.53 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.04 1axx n GLY 62 N 1.22 1.71 1.10 2.17 0.00 0.27 -4.87 105.19 106.79 1axx n GLY 62 Ca 0.01 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -2.94 -2.14 1.61 8.25 -1.24 -4.71 115.22 114.05 1axx n HIS 63 Ca 0.00 1.60 -0.27 0.00 -0.26 0.00 0.00 57.72 58.79 1axx n HIS 63 Cb 0.00 -2.68 0.11 0.00 1.12 0.00 0.00 29.99 28.55 1axx n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1axx s SER 64 N -6.57 4.19 0.15 0.41 0.01 -1.26 -5.02 113.70 105.61 1axx s SER 64 Ca 0.00 0.31 -0.09 0.00 1.31 0.00 0.00 55.95 57.48 1axx s SER 64 Cb 0.00 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.50 1axx s SER 64 CO 0.00 -2.02 1.46 0.00 0.41 0.00 0.00 173.24 173.09 1axx h THR 65 N -0.96 1.28 -0.77 1.44 1.03 -2.01 -3.03 112.91 109.90 1axx h THR 65 Ca -0.43 -1.66 0.18 0.00 -0.01 0.00 0.00 66.41 64.49 1axx h THR 65 Cb 1.29 1.54 -0.13 0.00 -1.07 0.00 0.00 68.15 69.77 1axx h THR 65 CO 0.51 0.54 0.06 0.44 -0.01 0.00 0.00 175.52 177.07 1axx h ASP 66 N 0.66 -0.24 -0.62 0.00 5.19 -1.99 0.23 116.42 119.65 1axx h ASP 66 Ca 0.03 0.19 0.08 0.00 -0.62 0.00 0.00 57.03 56.71 1axx h ASP 66 Cb 1.06 0.31 -0.06 0.00 0.18 0.00 0.00 39.33 40.81 1axx h ASP 66 CO 0.11 -0.15 0.29 0.00 -3.12 0.00 0.00 179.24 176.36 1axx h ALA 67 N 1.70 0.82 -0.43 3.45 0.00 -1.93 0.22 119.26 123.10 1axx h ALA 67 Ca 0.43 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1axx h ALA 67 Cb 0.77 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1axx h ALA 67 CO -0.64 -0.09 0.27 0.00 0.00 0.00 0.00 179.25 178.79 1axx h ARG 68 N 0.53 0.52 -0.66 0.00 2.47 -0.59 0.25 114.38 116.90 1axx h ARG 68 Ca 0.30 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.96 1axx h ARG 68 Cb 0.28 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1axx h ARG 68 CO -0.24 0.35 0.30 0.93 0.56 0.00 0.00 179.97 181.87 1axx h GLU 69 N 0.54 0.97 -0.57 0.04 5.08 -0.55 -2.93 114.58 117.16 1axx h GLU 69 Ca 0.17 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1axx h GLU 69 Cb -0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1axx h GLU 69 CO -0.06 0.79 0.04 1.25 -1.00 0.00 0.00 179.01 180.02 1axx h LEU 70 N 0.93 0.95 -0.80 1.33 5.85 -0.13 -2.45 115.31 121.00 1axx h LEU 70 Ca 0.23 -0.29 0.17 0.00 0.84 0.00 0.00 57.88 58.83 1axx h LEU 70 Cb 0.15 -0.25 -0.15 0.00 0.37 0.00 0.00 40.66 40.78 1axx h LEU 70 CO -0.02 1.01 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.69 1axx h SER 71 N 0.87 -0.59 -0.66 1.25 0.87 -0.38 0.97 113.55 115.87 1axx h SER 71 Ca 0.17 0.23 0.12 0.00 -1.23 0.00 0.00 61.79 61.07 1axx h SER 71 Cb 0.50 0.44 -0.09 0.00 -0.44 0.00 0.00 62.40 62.81 1axx h SER 71 CO 0.02 -0.24 0.22 0.11 -0.53 0.00 0.00 176.83 176.40 1axx h LYS 72 N 0.03 0.35 -0.06 2.24 1.57 -1.26 0.37 116.57 119.82 1axx h LYS 72 Ca 0.41 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1axx h LYS 72 Cb 0.68 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1axx h LYS 72 CO -0.78 0.23 0.09 1.15 -0.57 0.00 0.00 179.45 179.58 1axx h THR 73 N 0.36 0.36 -0.02 -0.16 2.02 -0.81 -0.25 112.91 114.41 1axx h THR 73 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1axx h THR 73 Cb 0.50 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1axx h THR 73 CO -0.38 0.00 -0.12 -1.22 0.37 0.00 0.00 175.52 174.17 1axx n TYR 74 N -3.61 0.00 -2.00 3.16 4.01 0.11 -4.96 117.16 113.88 1axx n TYR 74 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1axx n TYR 74 Cb 0.19 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 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 -2.14 3.24 -0.59 -0.72 2.07 -0.11 -1.33 121.20 121.62 1axx s ILE 75 Ca 0.27 0.65 0.06 0.00 -1.41 0.00 0.00 60.65 60.22 1axx s ILE 75 Cb 0.20 -3.42 0.01 0.00 0.13 0.00 0.00 42.46 39.38 1axx s ILE 75 CO 0.38 -0.01 0.52 2.30 -1.91 0.00 0.00 174.94 176.23 1axx n ILE 76 N 4.77 0.00 -1.21 2.00 -5.35 -0.16 -4.89 119.36 114.52 1axx n ILE 76 Ca 0.15 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1axx n ILE 76 Cb 0.41 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.66 -0.24 3.47 3.28 0.00 -1.08 -4.06 105.19 107.21 1axx n GLY 77 Ca 0.03 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 1.83 0.05 1.61 -1.05 -1.25 -0.43 118.70 117.46 1axx s GLU 78 Ca 0.00 -1.71 -0.30 0.00 -0.15 0.00 0.00 54.97 52.80 1axx s GLU 78 Cb 0.00 0.43 -0.07 0.00 -0.44 0.00 0.00 34.13 34.05 1axx s GLU 78 CO 0.00 -0.75 1.58 -1.17 0.95 0.00 0.00 175.26 175.87 1axx s LEU 79 N -3.22 4.35 0.22 1.83 1.98 -1.26 -0.20 118.68 122.38 1axx s LEU 79 Ca 0.31 2.37 -0.30 0.00 -2.89 0.00 0.00 54.13 53.62 1axx s LEU 79 Cb 0.00 -3.56 -0.16 0.00 0.66 0.00 0.00 46.19 43.13 1axx s LEU 79 CO 0.19 -0.84 0.89 1.57 -1.89 0.00 0.00 176.35 176.27 1axx n HIS 80 N 5.58 0.69 0.26 5.38 -0.00 0.67 -4.72 115.22 123.08 1axx n HIS 80 Ca 0.15 0.80 0.11 0.00 -0.00 0.00 0.00 57.72 58.78 1axx n HIS 80 Cb 0.41 -2.16 0.72 0.00 -0.00 0.00 0.00 29.99 28.97 1axx n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1axx h PRO 81 N 2.02 0.00 -0.60 1.57 0.13 -1.91 -2.33 132.00 130.89 1axx h PRO 81 Ca -0.37 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.87 1axx h PRO 81 Cb 1.38 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.39 1axx h PRO 81 CO 0.62 0.08 -0.26 0.22 -0.23 0.00 0.00 178.00 178.43 1axx h ASP 82 N 0.00 -0.93 -0.59 1.44 3.58 -1.98 -0.86 116.42 117.08 1axx h ASP 82 Ca -0.00 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1axx h ASP 82 Cb 0.19 0.50 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1axx h ASP 82 CO 0.01 -0.27 0.00 0.47 -2.88 0.00 0.00 179.24 176.57 1axx n ASP 83 N -5.44 4.74 -0.12 2.28 9.92 -0.91 -4.46 116.55 122.56 1axx n ASP 83 Ca 0.05 -2.55 -0.22 0.00 -0.53 0.00 0.00 54.79 51.54 1axx n ASP 83 Cb 0.35 -0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 40.17 1axx n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1axx n ARG 84 N 0.87 0.56 -1.14 -1.24 0.63 -0.36 -3.45 116.66 112.54 1axx n ARG 84 Ca 0.25 0.33 -0.27 0.00 -0.92 0.00 0.00 57.85 57.24 1axx n ARG 84 Cb 0.91 -1.54 -0.08 0.00 0.45 0.00 0.00 32.46 32.20 1axx n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1axx n SER 85 N -4.35 7.07 0.03 6.15 2.88 -1.00 -3.72 113.62 120.67 1axx n SER 85 Ca -0.39 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1axx n SER 85 Cb 0.73 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1axx n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1axx n LYS 86 N 3.19 0.00 -3.67 -1.46 5.02 -1.26 -5.08 118.16 114.90 1axx n LYS 86 Ca 0.62 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.62 1axx n LYS 86 Cb 0.49 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.51 1axx n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1axx n ILE 87 N -2.56 -3.78 -1.38 -0.18 5.41 -1.22 -4.92 119.36 110.72 1axx n ILE 87 Ca 0.00 0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.44 1axx n ILE 87 Cb 0.00 -3.29 0.09 0.00 -0.71 0.00 0.00 39.64 35.73 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 -2.43 2.10 -0.49 -1.39 0.00 -1.26 -4.74 121.76 113.55 1axx s ALA 88 Ca 0.14 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 1axx s ALA 88 Cb -0.02 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1axx s ALA 88 CO 0.89 -1.88 1.25 0.36 0.00 0.00 0.00 175.76 176.37 1axx n LYS 89 N -2.90 0.00 -2.43 0.00 2.85 -1.26 -4.83 118.16 109.58 1axx n LYS 89 Ca 0.12 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.97 1axx n LYS 89 Cb 0.51 -0.67 -0.04 0.00 -0.65 0.00 0.00 35.03 34.18 1axx n LYS 89 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1axx s PRO 90 N 4.13 4.54 -0.44 -1.58 0.04 -1.26 -4.98 135.00 135.46 1axx s PRO 90 Ca 0.66 1.82 -0.28 0.00 0.04 0.00 0.00 61.00 63.23 1axx s PRO 90 Cb -0.56 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 30.76 1axx s PRO 90 CO 0.25 0.01 1.09 -1.12 0.04 0.00 0.00 177.00 177.26 1axx s SER 91 N -0.11 6.68 -0.32 6.66 0.01 -1.26 -4.98 113.70 120.38 1axx s SER 91 Ca 0.50 0.55 -0.29 0.00 1.31 0.00 0.00 55.95 58.02 1axx s SER 91 Cb -0.32 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.31 1axx s SER 91 CO 0.37 -1.13 2.27 -0.62 0.41 0.00 0.00 173.24 174.54 1axx n GLU 92 N 7.50 1.55 -3.64 12.44 4.71 -1.26 -4.89 120.64 137.06 1axx n GLU 92 Ca 0.11 0.36 -0.27 0.00 -0.01 0.00 0.00 57.16 57.35 1axx n GLU 92 Cb 0.48 -3.09 -0.10 0.00 -1.01 0.00 0.00 31.44 27.72 1axx n GLU 92 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1axx n THR 93 N 7.71 0.87 -0.63 2.62 -2.24 -1.26 -5.30 114.28 116.05 1axx n THR 93 Ca 0.35 -4.51 0.00 0.00 -2.27 0.00 0.00 64.05 57.62 1axx n THR 93 Cb 0.42 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 1axx n THR 93 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68