#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 -0.29 -0.73 -1.24 3.01 -1.26 -4.86 119.74 114.37 1axx s LYS 2 Ca 0.00 0.51 -0.25 0.00 -1.01 0.00 0.00 55.97 55.23 1axx s LYS 2 Cb 0.00 -1.65 -0.14 0.00 -1.01 0.00 0.00 37.83 35.02 1axx s LYS 2 CO 0.00 -3.22 2.41 -0.25 0.51 0.00 0.00 175.35 174.80 1axx n ASP 3 N -4.51 1.54 0.00 2.83 9.92 -1.26 -4.57 116.55 120.50 1axx n ASP 3 Ca 0.05 -1.02 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 1axx n ASP 3 Cb 0.57 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1axx n VAL 4 N 8.16 0.00 -3.48 2.53 0.31 -1.26 -5.05 118.33 119.54 1axx n VAL 4 Ca 0.47 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.59 1axx n VAL 4 Cb 0.41 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.40 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 -2.92 -2.10 5.55 4.01 -1.26 -3.58 118.16 117.85 1axx n LYS 5 Ca 0.00 0.70 -0.42 0.00 -0.51 0.00 0.00 58.31 58.08 1axx n LYS 5 Cb 0.00 -5.21 -0.03 0.00 -0.51 0.00 0.00 35.03 29.28 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 -3.47 3.17 -0.01 2.13 2.02 -1.26 -0.49 117.35 119.45 1axx s TYR 6 Ca 0.33 0.94 0.06 0.00 -0.37 0.00 0.00 57.07 58.02 1axx s TYR 6 Cb -0.07 -3.74 -0.02 0.00 -0.40 0.00 0.00 41.96 37.73 1axx s TYR 6 CO 0.79 -2.57 -0.19 0.71 -1.57 0.00 0.00 175.55 172.72 1axx s TYR 7 N 0.77 1.66 0.41 2.71 2.02 0.57 -4.87 117.35 120.62 1axx s TYR 7 Ca 0.64 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.95 1axx s TYR 7 Cb -0.39 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1axx s TYR 7 CO 0.34 -0.01 0.72 0.95 -1.57 0.00 0.00 175.55 175.97 1axx s THR 8 N -0.48 4.91 0.11 -0.71 -4.23 -1.26 -0.52 115.64 113.45 1axx s THR 8 Ca 0.07 0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 60.55 1axx s THR 8 Cb -0.07 -3.79 -0.09 0.00 1.34 0.00 0.00 72.50 69.88 1axx s THR 8 CO -0.00 -0.61 1.62 -0.07 -0.54 0.00 0.00 174.62 175.01 1axx h LEU 9 N 0.90 -0.89 -0.67 4.79 -0.00 -1.98 0.17 115.31 117.62 1axx h LEU 9 Ca -0.47 0.10 0.13 0.00 -0.00 0.00 0.00 57.88 57.63 1axx h LEU 9 Cb 1.20 0.33 -0.09 0.00 -0.00 0.00 0.00 40.66 42.10 1axx h LEU 9 CO 0.63 -0.41 0.21 -0.08 -0.00 0.00 0.00 178.44 178.79 1axx h GLU 10 N -0.56 0.34 0.82 1.13 4.57 -1.97 0.33 114.58 119.22 1axx h GLU 10 Ca 0.02 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1axx h GLU 10 Cb 0.57 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1axx h GLU 10 CO -0.16 0.22 -0.43 1.49 -1.18 0.00 0.00 179.01 178.95 1axx h GLU 11 N 0.35 -1.11 -0.99 1.92 4.81 -1.72 -0.80 114.58 117.04 1axx h GLU 11 Ca 0.36 0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.75 1axx h GLU 11 Cb 0.54 0.25 -0.07 0.00 0.63 0.00 0.00 28.75 30.10 1axx h GLU 11 CO -0.40 -0.74 0.64 0.82 -0.73 0.00 0.00 179.01 178.59 1axx h ILE 12 N -1.15 1.03 -0.39 2.32 2.04 -0.48 -0.20 117.51 120.69 1axx h ILE 12 Ca -0.11 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1axx h ILE 12 Cb 0.90 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1axx h ILE 12 CO 0.15 0.20 0.10 -0.61 0.00 0.00 0.00 178.15 177.99 1axx h GLN 13 N 1.09 0.57 -0.01 2.37 4.15 -0.13 -1.51 115.11 121.64 1axx h GLN 13 Ca 0.45 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.63 1axx h GLN 13 Cb 0.28 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1axx h GLN 13 CO -0.20 0.52 -0.67 0.87 -1.93 0.00 0.00 178.83 177.43 1axx h LYS 14 N 0.56 0.05 -5.77 1.69 1.79 0.46 -3.39 116.57 111.96 1axx h LYS 14 Ca 0.13 -0.04 -0.47 0.00 -2.18 0.00 0.00 60.65 58.09 1axx h LYS 14 Cb 0.21 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 1axx h LYS 14 CO -0.00 0.70 1.39 -1.01 -1.08 0.00 0.00 179.45 179.45 1axx s HIS 15 N -3.52 2.26 0.00 -1.35 3.76 -0.57 -3.84 115.29 112.03 1axx s HIS 15 Ca -0.02 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 1axx s HIS 15 Cb 0.12 -4.36 0.00 0.00 1.11 0.00 0.00 32.58 29.45 1axx s HIS 15 CO 0.78 -1.65 0.00 0.36 -0.85 0.00 0.00 174.74 173.38 1axx n LYS 16 N 8.57 0.00 -0.47 1.40 -0.00 -0.73 -2.63 118.16 124.30 1axx n LYS 16 Ca 0.42 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.45 1axx n LYS 16 Cb 0.47 0.00 0.23 0.00 -0.00 0.00 0.00 35.03 35.73 1axx n LYS 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1axx n ASP 17 N -0.35 -2.84 -3.82 -5.58 -0.08 -1.25 -4.64 116.55 98.00 1axx n ASP 17 Ca 0.00 -0.40 -0.41 0.00 -1.51 0.00 0.00 54.79 52.47 1axx n ASP 17 Cb 0.00 -1.01 -0.05 0.00 2.34 0.00 0.00 41.12 42.40 1axx n ASP 17 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1axx n SER 18 N -3.60 2.84 0.00 1.67 2.88 -1.26 -2.45 113.62 113.70 1axx n SER 18 Ca 0.05 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 1axx n SER 18 Cb 0.54 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1axx n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1axx n LYS 19 N 7.15 0.00 -3.61 -1.46 3.00 -1.26 -5.13 118.16 116.85 1axx n LYS 19 Ca 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.78 1axx n LYS 19 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.39 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1axx s SER 20 N -1.91 -0.96 -0.50 3.14 0.15 -1.02 -5.04 113.70 107.55 1axx s SER 20 Ca 0.00 1.39 -0.16 0.00 0.70 0.00 0.00 55.95 57.88 1axx s SER 20 Cb 0.00 1.86 0.08 0.00 -1.71 0.00 0.00 66.02 66.25 1axx s SER 20 CO 0.00 -0.20 0.48 -0.89 1.20 0.00 0.00 173.24 173.83 1axx s THR 21 N 2.33 5.14 0.26 6.45 2.01 -1.26 -1.77 115.64 128.79 1axx s THR 21 Ca -0.07 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 60.93 1axx s THR 21 Cb -0.08 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1axx s THR 21 CO -0.19 -0.72 0.39 0.26 -0.69 0.00 0.00 174.62 173.67 1axx s TRP 22 N 1.89 3.43 0.12 4.92 0.52 -1.08 -1.39 118.94 127.35 1axx s TRP 22 Ca 0.06 0.01 -0.19 0.00 0.02 0.00 0.00 56.10 56.00 1axx s TRP 22 Cb -0.25 -1.64 0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1axx s TRP 22 CO 0.07 0.37 0.48 0.14 0.02 0.00 0.00 176.95 178.02 1axx s VAL 23 N -2.04 0.04 -0.23 4.03 -7.23 -0.82 0.32 120.40 114.48 1axx s VAL 23 Ca 0.35 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 1axx s VAL 23 Cb -0.09 -1.08 0.04 0.00 0.56 0.00 0.00 36.38 35.81 1axx s VAL 23 CO 0.30 -0.20 -0.14 0.27 -0.31 0.00 0.00 175.10 175.03 1axx s ILE 24 N -3.55 2.19 -0.20 -0.62 -5.25 -1.26 -0.84 121.20 111.66 1axx s ILE 24 Ca 0.01 -1.35 0.02 0.00 -0.99 0.00 0.00 60.65 58.34 1axx s ILE 24 Cb 0.01 -2.15 0.03 0.00 2.95 0.00 0.00 42.46 43.30 1axx s ILE 24 CO -0.11 0.19 -0.16 -0.76 -1.79 0.00 0.00 174.94 172.31 1axx s LEU 25 N 1.18 2.53 -1.14 0.37 1.43 -0.66 -3.05 118.68 119.35 1axx s LEU 25 Ca -0.03 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.03 1axx s LEU 25 Cb -0.17 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 1axx s LEU 25 CO -0.08 -0.07 0.80 1.41 0.23 0.00 0.00 176.35 178.64 1axx n HIS 26 N 4.57 -2.04 -3.66 0.29 8.25 -1.26 -3.17 115.22 118.21 1axx n HIS 26 Ca -0.18 0.60 -0.22 0.00 -0.26 0.00 0.00 57.72 57.65 1axx n HIS 26 Cb 0.47 -3.72 0.05 0.00 1.12 0.00 0.00 29.99 27.92 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 -3.97 -2.20 -3.66 4.41 8.25 -1.26 -4.99 115.22 111.80 1axx n HIS 27 Ca -0.12 0.90 -0.07 0.00 -0.26 0.00 0.00 57.72 58.18 1axx n HIS 27 Cb 0.61 -4.58 -0.08 0.00 1.12 0.00 0.00 29.99 27.06 1axx n HIS 27 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1axx s LYS 28 N -6.00 0.50 -0.28 -0.41 2.47 -1.19 -4.37 119.74 110.46 1axx s LYS 28 Ca 0.22 1.11 -0.17 0.00 -1.56 0.00 0.00 55.97 55.57 1axx s LYS 28 Cb -0.10 0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 36.54 1axx s LYS 28 CO 0.78 -0.19 0.45 0.08 0.16 0.00 0.00 175.35 176.64 1axx s VAL 29 N 2.09 5.11 -0.10 4.02 1.01 0.44 -1.65 120.40 131.31 1axx s VAL 29 Ca -0.07 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1axx s VAL 29 Cb -0.09 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1axx s VAL 29 CO -0.16 0.06 -0.13 -0.31 0.00 0.00 0.00 175.10 174.56 1axx s TYR 30 N 2.22 2.78 -0.10 5.22 2.02 -0.02 -1.72 117.35 127.74 1axx s TYR 30 Ca 0.18 -0.41 -0.20 0.00 -0.37 0.00 0.00 57.07 56.27 1axx s TYR 30 Cb -0.16 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1axx s TYR 30 CO 0.10 -0.02 0.55 0.34 -1.57 0.00 0.00 175.55 174.95 1axx s ASP 31 N -0.13 6.78 -0.12 2.29 -1.08 -0.93 -1.95 116.67 121.54 1axx s ASP 31 Ca -0.01 0.94 0.15 0.00 -0.52 0.00 0.00 52.55 53.10 1axx s ASP 31 Cb -0.14 -2.33 0.28 0.00 -1.46 0.00 0.00 42.92 39.28 1axx s ASP 31 CO 0.03 -0.04 1.14 0.18 0.52 0.00 0.00 175.17 177.00 1axx n LEU 32 N 3.74 1.95 -0.25 -1.34 4.77 -0.49 -4.82 117.00 120.56 1axx n LEU 32 Ca -0.05 -2.86 -0.03 0.00 -0.03 0.00 0.00 56.01 53.04 1axx n LEU 32 Cb 0.51 -0.35 0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1axx n LEU 32 CO 0.44 0.78 1.11 0.74 -1.33 0.00 0.00 177.39 179.13 1axx h THR 33 N 1.88 1.24 -0.52 -5.08 2.02 -1.92 -0.13 112.91 110.40 1axx h THR 33 Ca -0.02 -0.67 -0.17 0.00 0.77 0.00 0.00 66.41 66.33 1axx h THR 33 Cb 1.13 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 1axx h THR 33 CO 0.01 0.29 0.13 0.29 0.37 0.00 0.00 175.52 176.60 1axx n LYS 34 N -4.32 2.91 0.00 6.66 5.02 -1.26 -4.32 118.16 122.84 1axx n LYS 34 Ca 0.07 -3.04 0.03 0.00 -2.02 0.00 0.00 58.31 53.35 1axx n LYS 34 Cb 0.14 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 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 -0.58 0.00 -0.00 2.13 7.35 -0.11 -4.71 117.46 121.55 1axx n PHE 35 Ca 0.35 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.92 1axx n PHE 35 Cb 1.18 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.96 1axx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1axx h LEU 36 N 0.14 -1.20 -0.08 -2.13 3.38 -1.62 0.28 115.31 114.08 1axx h LEU 36 Ca 0.00 0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 1axx h LEU 36 Cb 0.17 0.50 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1axx h LEU 36 CO 0.00 -0.40 -0.82 -0.08 0.09 0.00 0.00 178.44 177.23 1axx h GLU 37 N -0.46 0.69 -0.70 1.13 4.81 -1.87 -2.85 114.58 115.33 1axx h GLU 37 Ca 0.08 -0.64 0.06 0.00 -0.13 0.00 0.00 59.36 58.73 1axx h GLU 37 Cb 0.60 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1axx h GLU 37 CO -0.38 1.24 0.46 0.93 -0.73 0.00 0.00 179.01 180.53 1axx h GLU 38 N 0.37 0.73 -6.05 1.92 4.39 -1.75 -3.44 114.58 110.75 1axx h GLU 38 Ca -0.08 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 58.90 1axx h GLU 38 Cb 1.46 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1axx h GLU 38 CO 0.16 0.48 1.29 1.58 -1.16 0.00 0.00 179.01 181.37 1axx n HIS 39 N -4.47 1.76 -1.88 4.33 -0.00 0.95 -4.80 115.22 111.11 1axx n HIS 39 Ca 0.10 0.30 -0.33 0.00 0.46 0.00 0.00 57.72 58.25 1axx n HIS 39 Cb 0.20 -2.53 -0.06 0.00 -0.12 0.00 0.00 29.99 27.49 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 7.52 1.71 0.00 1.57 -0.04 -1.26 -1.19 135.00 143.30 1axx n PRO 40 Ca 0.37 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1axx n PRO 40 Cb 0.21 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.16 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 5.43 1.06 0.00 0.55 0.00 -1.26 -5.17 105.19 105.81 1axx n GLY 41 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 3.37 0.04 -0.02 0.00 -0.34 -4.87 105.19 103.37 1axx n GLY 42 Ca 0.00 -1.52 -0.00 0.00 0.00 0.00 0.00 46.02 44.49 1axx n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1axx h GLU 43 N 0.00 0.00 0.47 1.61 4.22 -1.78 -3.37 114.58 115.73 1axx h GLU 43 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1axx h GLU 43 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1axx h GLU 43 CO 0.00 0.00 -0.41 1.49 -2.18 0.00 0.00 179.01 177.91 1axx h GLU 44 N -0.81 -0.85 -0.76 1.92 4.81 -1.93 0.30 114.58 117.26 1axx h GLU 44 Ca 0.00 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.51 1axx h GLU 44 Cb 0.02 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1axx h GLU 44 CO 0.00 -0.57 0.55 -0.39 -0.73 0.00 0.00 179.01 177.87 1axx h VAL 45 N -0.88 0.62 0.15 0.32 -1.51 -1.89 0.43 116.25 113.48 1axx h VAL 45 Ca -0.05 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.18 1axx h VAL 45 Cb 0.76 0.62 0.01 0.00 -2.13 0.00 0.00 31.29 30.56 1axx h VAL 45 CO -0.03 0.00 -1.14 0.25 -1.23 0.00 0.00 177.57 175.42 1axx h LEU 46 N 0.00 0.49 -0.86 4.19 5.85 -1.16 -3.36 115.31 120.46 1axx h LEU 46 Ca 0.36 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1axx h LEU 46 Cb 1.46 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1axx h LEU 46 CO -0.00 1.53 0.00 -1.14 -0.34 0.00 0.00 178.44 178.48 1axx n ARG 47 N -3.99 1.59 -0.18 1.25 0.63 0.87 -4.10 116.66 112.72 1axx n ARG 47 Ca -0.19 -0.86 -0.09 0.00 -0.92 0.00 0.00 57.85 55.80 1axx n ARG 47 Cb 0.89 -1.47 0.01 0.00 0.45 0.00 0.00 32.46 32.35 1axx n ARG 47 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1axx h GLU 48 N 2.03 0.85 0.00 -0.14 4.39 -0.39 -3.34 114.58 117.98 1axx h GLU 48 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1axx h GLU 48 Cb 0.43 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1axx h GLU 48 CO 0.00 0.82 0.00 1.04 -1.16 0.00 0.00 179.01 179.71 1axx n GLN 49 N -4.41 0.00 -1.20 2.33 1.13 -1.26 -4.90 117.38 109.07 1axx n GLN 49 Ca 0.02 0.27 0.15 0.00 -1.94 0.00 0.00 57.00 55.50 1axx n GLN 49 Cb 0.24 -0.76 -0.05 0.00 0.11 0.00 0.00 30.24 29.79 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 -1.40 -3.42 -0.33 -1.58 0.00 -1.26 -4.72 120.51 107.79 1axx n ALA 50 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1axx n ALA 50 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.63 1.69 0.00 0.00 0.00 0.15 -4.71 105.19 98.69 1axx n GLY 51 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 3.05 2.06 -0.02 0.00 -1.26 -3.33 105.19 105.69 1axx n GLY 52 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1axx n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1axx n ASP 53 N 0.00 -3.16 0.00 1.61 8.00 -1.26 -4.59 116.55 117.14 1axx n ASP 53 Ca 0.00 0.26 0.12 0.00 0.71 0.00 0.00 54.79 55.88 1axx n ASP 53 Cb 0.00 -2.91 0.25 0.00 -0.02 0.00 0.00 41.12 38.44 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1axx n ALA 54 N -0.62 3.49 -0.15 2.24 0.00 -1.22 -3.75 120.51 120.50 1axx n ALA 54 Ca -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 1axx n ALA 54 Cb 0.45 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 0.43 -0.36 0.00 2.02 -1.84 0.14 112.91 113.30 1axx h THR 55 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1axx h THR 55 Cb 0.52 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 1axx h THR 55 CO 0.00 0.00 -0.14 -0.08 0.37 0.00 0.00 175.52 175.67 1axx h GLU 56 N -0.05 -0.06 0.47 6.66 4.81 -1.92 0.22 114.58 124.70 1axx h GLU 56 Ca 0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1axx h GLU 56 Cb 0.41 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1axx h GLU 56 CO -0.53 -0.04 -0.22 -0.91 -0.73 0.00 0.00 179.01 176.57 1axx h ASN 57 N -0.07 -0.53 -0.93 1.04 4.21 -1.67 0.19 115.58 117.82 1axx h ASN 57 Ca 0.18 -0.04 0.11 0.00 1.21 0.00 0.00 56.30 57.76 1axx h ASN 57 Cb 0.34 0.14 -0.08 0.00 -1.12 0.00 0.00 38.32 37.59 1axx h ASN 57 CO -0.40 -0.29 0.56 0.15 -1.29 0.00 0.00 177.43 176.16 1axx h PHE 58 N -0.74 1.02 0.00 1.19 3.04 -0.24 -1.91 116.94 119.30 1axx h PHE 58 Ca -0.06 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.71 1axx h PHE 58 Cb 0.54 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 1axx h PHE 58 CO -0.02 0.40 -1.16 0.93 -2.02 0.00 0.00 178.31 176.45 1axx h GLU 59 N 0.91 0.00 -0.69 1.11 4.39 -0.53 0.32 114.58 120.08 1axx h GLU 59 Ca 0.46 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.29 1axx h GLU 59 Cb 0.45 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.01 1axx h GLU 59 CO -0.26 0.68 0.21 0.22 -1.16 0.00 0.00 179.01 178.70 1axx h ASP 60 N 0.00 0.13 0.99 1.42 3.58 -0.10 -0.54 116.42 121.91 1axx h ASP 60 Ca -0.10 0.11 -0.17 0.00 0.42 0.00 0.00 57.03 57.29 1axx h ASP 60 Cb 1.74 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.90 1axx h ASP 60 CO 0.09 0.05 -0.79 0.58 -2.88 0.00 0.00 179.24 176.29 1axx h VAL 61 N 0.35 1.46 0.00 2.25 2.07 -1.32 -3.48 116.25 117.58 1axx h VAL 61 Ca 0.37 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1axx h VAL 61 Cb 0.56 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1axx h VAL 61 CO -0.41 0.77 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1axx n GLY 62 N 1.01 2.16 0.92 2.17 0.00 0.11 -4.91 105.19 106.65 1axx n GLY 62 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.46 -2.35 1.61 8.25 -1.25 -4.68 115.22 114.35 1axx n HIS 63 Ca 0.00 1.35 -0.28 0.00 -0.26 0.00 0.00 57.72 58.53 1axx n HIS 63 Cb 0.00 -2.24 0.02 0.00 1.12 0.00 0.00 29.99 28.89 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 -6.13 5.91 0.38 0.41 0.01 -1.26 -4.99 113.70 108.03 1axx s SER 64 Ca 0.00 0.94 0.05 0.00 1.31 0.00 0.00 55.95 58.25 1axx s SER 64 Cb 0.00 -2.03 0.76 0.00 0.21 0.00 0.00 66.02 64.96 1axx s SER 64 CO 0.00 -0.89 2.01 0.00 0.41 0.00 0.00 173.24 174.77 1axx h THR 65 N -0.10 1.09 -0.84 1.44 1.03 -2.00 -1.42 112.91 112.10 1axx h THR 65 Ca -0.46 -0.24 0.18 0.00 -0.01 0.00 0.00 66.41 65.88 1axx h THR 65 Cb 1.23 0.32 -0.16 0.00 -1.07 0.00 0.00 68.15 68.47 1axx h THR 65 CO 0.62 0.13 -0.17 0.44 -0.01 0.00 0.00 175.52 176.52 1axx h ASP 66 N 0.71 -0.72 -0.40 0.00 3.32 -2.00 0.29 116.42 117.62 1axx h ASP 66 Ca 0.23 0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.48 1axx h ASP 66 Cb 0.04 0.50 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1axx h ASP 66 CO -0.06 -0.27 0.10 0.00 -1.72 0.00 0.00 179.24 177.29 1axx h ALA 67 N 1.84 1.29 -0.46 3.45 0.00 -1.64 0.19 119.26 123.92 1axx h ALA 67 Ca 0.42 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1axx h ALA 67 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1axx h ALA 67 CO -0.85 0.50 0.31 0.00 0.00 0.00 0.00 179.25 179.20 1axx h ARG 68 N 0.70 0.61 -0.27 0.00 3.08 -0.43 0.18 114.38 118.25 1axx h ARG 68 Ca 0.16 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 1axx h ARG 68 Cb 0.28 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1axx h ARG 68 CO -0.00 0.40 -0.10 0.93 -1.07 0.00 0.00 179.97 180.13 1axx h GLU 69 N 0.63 0.55 -0.63 0.04 5.08 -0.73 -3.15 114.58 116.37 1axx h GLU 69 Ca 0.17 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1axx h GLU 69 Cb -0.07 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1axx h GLU 69 CO -0.04 0.78 0.37 1.25 -1.00 0.00 0.00 179.01 180.36 1axx h LEU 70 N 0.29 0.76 -0.72 1.33 5.85 -0.40 -1.19 115.31 121.22 1axx h LEU 70 Ca 0.06 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1axx h LEU 70 Cb 0.60 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 1axx h LEU 70 CO 0.03 0.60 0.35 0.77 -0.34 0.00 0.00 178.44 179.85 1axx h SER 71 N 0.87 0.43 -0.79 1.25 4.64 -0.60 -1.34 113.55 118.01 1axx h SER 71 Ca 0.23 0.07 0.09 0.00 -0.47 0.00 0.00 61.79 61.71 1axx h SER 71 Cb -0.01 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.01 1axx h SER 71 CO -0.04 0.23 0.44 0.11 -0.87 0.00 0.00 176.83 176.70 1axx h LYS 72 N 0.57 0.72 -0.05 4.77 1.79 -1.21 0.32 116.57 123.48 1axx h LYS 72 Ca 0.37 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.81 1axx h LYS 72 Cb 0.43 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1axx h LYS 72 CO -0.30 0.48 0.13 1.15 -1.08 0.00 0.00 179.45 179.83 1axx h THR 73 N 0.74 0.18 -0.37 -0.16 2.02 -1.16 -0.97 112.91 113.19 1axx h THR 73 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1axx h THR 73 Cb 0.35 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1axx h THR 73 CO -0.25 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.42 1axx n TYR 74 N -3.31 0.49 -1.75 3.16 4.01 0.10 -4.98 117.16 114.88 1axx n TYR 74 Ca -0.02 -0.31 -0.43 0.00 -0.16 0.00 0.00 57.90 56.99 1axx n TYR 74 Cb 0.21 -0.01 -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 -1.22 3.18 -0.06 -0.72 -1.16 -0.37 -2.19 121.20 118.67 1axx s ILE 75 Ca 0.33 0.20 0.13 0.00 -0.51 0.00 0.00 60.65 60.80 1axx s ILE 75 Cb 0.19 -3.18 -0.19 0.00 0.61 0.00 0.00 42.46 39.88 1axx s ILE 75 CO 0.26 -0.08 0.21 2.30 -2.81 0.00 0.00 174.94 174.81 1axx n ILE 76 N 6.64 0.32 -3.96 2.00 -5.35 -0.70 -4.94 119.36 113.38 1axx n ILE 76 Ca 0.24 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1axx n ILE 76 Cb 0.44 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 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 1.90 0.42 3.16 3.28 0.00 -0.96 -4.68 105.19 108.31 1axx n GLY 77 Ca -0.09 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.92 0.96 0.01 1.61 -1.05 0.36 -0.42 118.70 118.24 1axx s GLU 78 Ca 0.00 -1.46 -0.30 0.00 -0.15 0.00 0.00 54.97 53.06 1axx s GLU 78 Cb 0.00 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.86 1axx s GLU 78 CO 0.00 -0.26 0.99 -1.17 0.95 0.00 0.00 175.26 175.77 1axx s LEU 79 N -3.07 4.37 0.18 1.83 0.20 -1.26 -0.31 118.68 120.62 1axx s LEU 79 Ca 0.25 1.69 -0.30 0.00 0.69 0.00 0.00 54.13 56.45 1axx s LEU 79 Cb 0.07 -3.57 -0.17 0.00 -0.43 0.00 0.00 46.19 42.09 1axx s LEU 79 CO 0.03 -0.27 0.77 1.57 -0.29 0.00 0.00 176.35 178.16 1axx n HIS 80 N 3.87 0.21 0.24 5.38 -0.00 0.32 -4.67 115.22 120.57 1axx n HIS 80 Ca 0.06 0.90 0.11 0.00 -0.00 0.00 0.00 57.72 58.79 1axx n HIS 80 Cb 0.51 -2.07 0.59 0.00 -0.00 0.00 0.00 29.99 29.01 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 1.77 0.00 0.05 1.57 0.13 -1.92 -1.74 132.00 131.86 1axx h PRO 81 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1axx h PRO 81 Cb 1.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 1axx h PRO 81 CO 0.60 0.19 -0.16 0.22 -0.23 0.00 0.00 178.00 178.62 1axx h ASP 82 N 0.00 -0.48 -0.65 1.44 1.82 -2.00 0.30 116.42 116.85 1axx h ASP 82 Ca -0.00 0.05 0.06 0.00 -0.39 0.00 0.00 57.03 56.75 1axx h ASP 82 Cb 0.53 0.17 -0.06 0.00 0.68 0.00 0.00 39.33 40.66 1axx h ASP 82 CO 0.02 -0.17 0.35 -0.78 -1.61 0.00 0.00 179.24 177.05 1axx h ASP 83 N -0.24 0.50 -0.87 2.28 3.58 -1.86 -1.59 116.42 118.22 1axx h ASP 83 Ca -0.00 0.04 0.16 0.00 0.42 0.00 0.00 57.03 57.64 1axx h ASP 83 Cb 0.24 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.16 1axx h ASP 83 CO -0.08 0.32 0.57 -0.09 -2.88 0.00 0.00 179.24 177.08 1axx h ARG 84 N 0.64 0.57 0.00 0.28 1.12 -0.97 0.25 114.38 116.27 1axx h ARG 84 Ca 0.30 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 59.08 1axx h ARG 84 Cb 0.21 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 1axx h ARG 84 CO -0.20 0.38 -0.22 1.03 -3.11 0.00 0.00 179.97 177.85 1axx h SER 85 N 0.58 0.00 -1.79 -3.80 0.87 0.62 -3.32 113.55 106.71 1axx h SER 85 Ca 0.44 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.54 1axx h SER 85 Cb 0.85 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.40 1axx h SER 85 CO -0.19 0.22 -1.13 1.17 -0.53 0.00 0.00 176.83 176.37 1axx n LYS 86 N -3.84 1.30 -1.42 2.24 4.81 0.78 -5.09 118.16 116.93 1axx n LYS 86 Ca -0.02 -3.53 -0.59 0.00 -0.87 0.00 0.00 58.31 53.31 1axx n LYS 86 Cb 0.32 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.59 1axx n LYS 86 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1axx n ILE 87 N 0.13 0.07 -3.61 3.15 2.08 -0.49 -4.87 119.36 115.82 1axx n ILE 87 Ca 0.22 -0.06 -0.32 0.00 0.56 0.00 0.00 62.75 63.15 1axx n ILE 87 Cb 0.67 -0.82 -0.05 0.00 -0.75 0.00 0.00 39.64 38.69 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1axx s ALA 88 N 5.57 3.74 0.42 -1.39 0.00 -1.26 -5.07 121.76 123.76 1axx s ALA 88 Ca 1.13 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 1axx s ALA 88 Cb -1.32 -2.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1axx s ALA 88 CO 0.65 0.62 1.30 1.63 0.00 0.00 0.00 175.76 179.96 1axx n LYS 89 N 0.16 2.00 -1.19 0.00 4.76 -1.26 -4.98 118.16 117.65 1axx n LYS 89 Ca -0.03 0.71 -0.30 0.00 -2.87 0.00 0.00 58.31 55.82 1axx n LYS 89 Cb 0.52 -2.42 0.12 0.00 -1.84 0.00 0.00 35.03 31.40 1axx n LYS 89 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1axx s PRO 90 N -2.23 1.75 0.14 1.97 0.04 -1.26 -5.07 135.00 130.35 1axx s PRO 90 Ca 0.61 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1axx s PRO 90 Cb -0.50 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1axx s PRO 90 CO 0.58 -1.96 -0.10 -1.12 0.04 0.00 0.00 177.00 174.44 1axx s SER 91 N -3.35 4.29 -0.48 6.66 0.01 -1.26 -5.09 113.70 114.49 1axx s SER 91 Ca 0.62 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.11 1axx s SER 91 Cb -0.18 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.31 1axx s SER 91 CO 0.57 0.14 1.29 -0.70 0.41 0.00 0.00 173.24 174.95 1axx s GLU 92 N -2.52 3.57 0.49 12.44 2.12 -1.26 -4.95 118.70 128.59 1axx s GLU 92 Ca 0.23 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.24 1axx s GLU 92 Cb -0.10 -4.00 -0.02 0.00 0.26 0.00 0.00 34.13 30.28 1axx s GLU 92 CO 0.14 -1.58 0.13 0.95 -0.54 0.00 0.00 175.26 174.36 1axx s THR 93 N 5.15 1.57 0.00 -1.70 -4.23 -1.26 -5.24 115.64 109.93 1axx s THR 93 Ca 0.53 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1axx s THR 93 Cb -0.10 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1axx s THR 93 CO 0.30 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.27