#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axx h LYS 2 N 0.00 -0.08 0.00 -0.67 1.63 -2.05 -3.47 116.57 111.93 1axx h LYS 2 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1axx h LYS 2 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1axx h LYS 2 CO 0.00 -0.05 0.00 -3.47 -3.45 0.00 0.00 179.45 172.48 1axx n ASP 3 N -2.91 0.00 0.00 4.20 -0.08 -1.26 -4.43 116.55 112.08 1axx n ASP 3 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1axx n ASP 3 Cb 0.03 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1axx n VAL 4 N 0.00 0.00 -2.76 5.18 0.31 -1.26 -4.95 118.33 114.86 1axx n VAL 4 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1axx n VAL 4 Cb 0.00 -0.19 0.06 0.00 -0.91 0.00 0.00 33.84 32.80 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 1.48 -1.57 5.55 5.02 -1.26 -5.03 118.16 122.34 1axx n LYS 5 Ca 0.00 -3.05 -0.47 0.00 -2.02 0.00 0.00 58.31 52.77 1axx n LYS 5 Cb 0.00 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 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 -0.55 1.97 -4.24 2.13 4.02 -1.26 -2.66 117.16 116.58 1axx n TYR 6 Ca 0.04 0.03 -0.31 0.00 -0.01 0.00 0.00 57.90 57.65 1axx n TYR 6 Cb 0.82 -2.65 -0.09 0.00 -0.02 0.00 0.00 39.34 37.40 1axx n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1axx s TYR 7 N 6.65 2.97 0.49 -0.72 2.02 0.56 -4.70 117.35 124.62 1axx s TYR 7 Ca 1.01 -0.01 -0.06 0.00 -0.37 0.00 0.00 57.07 57.64 1axx s TYR 7 Cb -0.61 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1axx s TYR 7 CO 0.45 0.45 0.80 0.95 -1.57 0.00 0.00 175.55 176.63 1axx s THR 8 N -1.19 4.88 0.09 -0.71 -4.23 -1.26 -0.47 115.64 112.76 1axx s THR 8 Ca 0.22 0.30 -0.33 0.00 -1.18 0.00 0.00 61.69 60.70 1axx s THR 8 Cb -0.11 -3.85 -0.14 0.00 1.34 0.00 0.00 72.50 69.73 1axx s THR 8 CO 0.14 -0.84 1.59 -0.07 -0.54 0.00 0.00 174.62 174.90 1axx h LEU 9 N 0.28 -1.16 -0.87 4.79 -0.00 -1.98 -0.41 115.31 115.96 1axx h LEU 9 Ca -0.47 0.10 0.22 0.00 -0.00 0.00 0.00 57.88 57.74 1axx h LEU 9 Cb 1.20 0.39 -0.15 0.00 -0.00 0.00 0.00 40.66 42.10 1axx h LEU 9 CO 0.62 -0.56 0.05 -0.33 -0.00 0.00 0.00 178.44 178.22 1axx h GLU 10 N -0.83 0.08 0.25 1.13 3.07 -1.97 0.29 114.58 116.60 1axx h GLU 10 Ca -0.03 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1axx h GLU 10 Cb 0.75 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1axx h GLU 10 CO -0.09 0.06 -0.12 1.49 -1.40 0.00 0.00 179.01 178.95 1axx h GLU 11 N 0.09 -0.32 -0.95 2.33 4.57 -1.71 -0.48 114.58 118.11 1axx h GLU 11 Ca 0.51 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.88 1axx h GLU 11 Cb 0.99 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.57 1axx h GLU 11 CO -0.77 -0.05 0.60 0.82 -1.18 0.00 0.00 179.01 178.44 1axx h ILE 12 N -0.57 0.77 0.00 2.32 2.04 -0.17 0.14 117.51 122.04 1axx h ILE 12 Ca -0.03 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1axx h ILE 12 Cb 0.42 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1axx h ILE 12 CO 0.06 0.13 0.00 -0.61 0.00 0.00 0.00 178.15 177.72 1axx h GLN 13 N 0.71 0.00 -0.01 2.37 4.15 -0.14 -2.82 115.11 119.36 1axx h GLN 13 Ca 0.50 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.87 1axx h GLN 13 Cb 0.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1axx h GLN 13 CO -0.27 0.00 -0.19 0.87 -1.93 0.00 0.00 178.83 177.32 1axx h LYS 14 N 0.00 0.15 -5.33 1.69 6.56 0.92 -3.39 116.57 117.16 1axx h LYS 14 Ca 0.00 -0.14 -0.51 0.00 -1.06 0.00 0.00 60.65 58.93 1axx h LYS 14 Cb 0.73 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.39 1axx h LYS 14 CO 0.00 0.86 1.76 0.72 -2.06 0.00 0.00 179.45 180.73 1axx n HIS 15 N -4.56 3.27 0.00 -1.35 8.25 -0.55 -3.73 115.22 116.55 1axx n HIS 15 Ca -0.09 -2.05 0.00 0.00 -0.26 0.00 0.00 57.72 55.31 1axx n HIS 15 Cb 0.46 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 29.07 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 7.96 0.00 -1.84 -0.41 -0.00 -0.85 -2.68 118.16 120.34 1axx n LYS 16 Ca 0.47 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.48 1axx n LYS 16 Cb 0.45 -0.05 0.20 0.00 -0.00 0.00 0.00 35.03 35.63 1axx n LYS 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1axx s ASP 17 N -2.23 2.74 0.00 -5.58 1.11 -1.24 -4.38 116.67 107.09 1axx s ASP 17 Ca 0.00 0.26 0.00 0.00 0.18 0.00 0.00 52.55 52.99 1axx s ASP 17 Cb 0.00 -0.28 0.00 0.00 1.07 0.00 0.00 42.92 43.71 1axx s ASP 17 CO 0.00 -2.96 0.00 -1.20 1.18 0.00 0.00 175.17 172.19 1axx n SER 18 N -3.92 0.00 0.00 0.27 7.64 -1.26 -3.01 113.62 113.34 1axx n SER 18 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1axx n SER 18 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1axx n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1axx n LYS 19 N 0.00 0.00 -1.07 1.43 4.76 -1.26 -5.07 118.16 116.95 1axx n LYS 19 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1axx n LYS 19 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1axx n SER 20 N 0.00 2.05 -4.57 4.39 2.88 -1.16 -4.71 113.62 112.50 1axx n SER 20 Ca 0.00 -2.62 -0.42 0.00 -1.33 0.00 0.00 58.87 54.51 1axx n SER 20 Cb 0.00 -1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 62.41 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1axx s THR 21 N 6.90 3.87 0.24 2.46 2.01 -1.26 -2.00 115.64 127.86 1axx s THR 21 Ca 0.63 0.69 0.05 0.00 0.31 0.00 0.00 61.69 63.38 1axx s THR 21 Cb 0.12 -4.76 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 1axx s THR 21 CO 0.20 -1.51 0.33 0.26 -0.69 0.00 0.00 174.62 173.21 1axx s TRP 22 N 5.42 3.40 -0.05 4.92 0.52 -1.09 -1.95 118.94 130.10 1axx s TRP 22 Ca 0.41 -0.03 -0.19 0.00 0.02 0.00 0.00 56.10 56.32 1axx s TRP 22 Cb -0.08 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1axx s TRP 22 CO 0.22 0.46 0.43 0.14 0.02 0.00 0.00 176.95 178.21 1axx s VAL 23 N -1.99 0.03 -0.21 4.03 -7.23 -1.05 -0.07 120.40 113.91 1axx s VAL 23 Ca 0.34 -0.26 -0.03 0.00 -1.81 0.00 0.00 61.98 60.21 1axx s VAL 23 Cb -0.09 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 1axx s VAL 23 CO 0.28 -0.14 -0.05 0.27 -0.31 0.00 0.00 175.10 175.15 1axx s ILE 24 N -0.97 3.40 -0.11 -0.62 -5.25 -0.94 -1.12 121.20 115.58 1axx s ILE 24 Ca -0.10 -0.49 0.00 0.00 -0.99 0.00 0.00 60.65 59.07 1axx s ILE 24 Cb -0.04 -2.53 0.02 0.00 2.95 0.00 0.00 42.46 42.87 1axx s ILE 24 CO 0.05 0.44 -0.10 -0.76 -1.79 0.00 0.00 174.94 172.78 1axx s LEU 25 N 1.26 1.34 -1.20 0.37 1.43 -0.05 -2.75 118.68 119.08 1axx s LEU 25 Ca 0.03 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1axx s LEU 25 Cb -0.14 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 1axx s LEU 25 CO -0.02 -0.08 0.74 1.41 0.23 0.00 0.00 176.35 178.63 1axx n HIS 26 N 4.75 -1.95 -1.59 0.29 8.25 -1.26 -1.98 115.22 121.72 1axx n HIS 26 Ca -0.15 0.63 -0.20 0.00 -0.26 0.00 0.00 57.72 57.75 1axx n HIS 26 Cb 0.50 -3.80 -0.08 0.00 1.12 0.00 0.00 29.99 27.73 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 -4.10 -0.08 -4.42 4.41 8.25 -1.26 -4.95 115.22 113.06 1axx n HIS 27 Ca -0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.05 1axx n HIS 27 Cb 0.63 -3.35 -0.17 0.00 1.12 0.00 0.00 29.99 28.22 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 -3.70 1.51 -0.17 -0.41 1.02 -0.84 -3.82 119.74 113.33 1axx s LYS 28 Ca 0.00 -0.33 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 1axx s LYS 28 Cb 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 1axx s LYS 28 CO 0.00 -0.03 0.47 0.08 -0.92 0.00 0.00 175.35 174.95 1axx s VAL 29 N 0.84 5.16 -0.14 3.17 1.01 0.58 -0.87 120.40 130.15 1axx s VAL 29 Ca -0.11 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1axx s VAL 29 Cb -0.15 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1axx s VAL 29 CO 0.02 0.25 -0.18 -0.31 0.00 0.00 0.00 175.10 174.87 1axx s TYR 30 N 1.18 2.72 -0.32 5.22 2.02 -0.27 -1.93 117.35 125.97 1axx s TYR 30 Ca 0.23 -1.09 -0.23 0.00 -0.37 0.00 0.00 57.07 55.61 1axx s TYR 30 Cb -0.15 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 1axx s TYR 30 CO 0.09 -0.48 0.79 0.34 -1.57 0.00 0.00 175.55 174.72 1axx s ASP 31 N 0.71 6.63 -0.17 2.29 -1.08 -0.86 -2.51 116.67 121.67 1axx s ASP 31 Ca -0.08 0.57 0.17 0.00 -0.52 0.00 0.00 52.55 52.69 1axx s ASP 31 Cb -0.16 -2.40 0.40 0.00 -1.46 0.00 0.00 42.92 39.30 1axx s ASP 31 CO 0.01 -0.65 1.27 0.18 0.52 0.00 0.00 175.17 176.50 1axx n LEU 32 N 6.28 3.04 -0.32 -1.34 4.77 -0.82 -4.78 117.00 123.84 1axx n LEU 32 Ca 0.04 -3.20 0.07 0.00 -0.03 0.00 0.00 56.01 52.88 1axx n LEU 32 Cb 0.48 -0.50 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 1axx n LEU 32 CO 0.51 0.81 1.15 0.74 -1.33 0.00 0.00 177.39 179.27 1axx h THR 33 N 0.77 0.81 -0.60 -5.08 2.02 -1.81 0.13 112.91 109.14 1axx h THR 33 Ca 0.02 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1axx h THR 33 Cb 1.21 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1axx h THR 33 CO 0.11 0.14 0.00 0.29 0.37 0.00 0.00 175.52 176.43 1axx n LYS 34 N -4.78 3.68 0.00 6.66 5.02 -1.26 -4.25 118.16 123.24 1axx n LYS 34 Ca 0.17 -2.85 0.02 0.00 -2.02 0.00 0.00 58.31 53.63 1axx n LYS 34 Cb 0.40 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.96 0.00 0.01 2.13 7.35 0.37 -4.64 117.46 123.64 1axx n PHE 35 Ca 0.25 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.84 1axx n PHE 35 Cb 0.88 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.65 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 0.56 -1.04 -0.18 -2.13 3.38 -1.47 0.30 115.31 114.73 1axx h LEU 36 Ca 0.00 0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1axx h LEU 36 Cb 0.14 0.40 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1axx h LEU 36 CO 0.00 -0.30 -0.58 -0.33 0.09 0.00 0.00 178.44 177.32 1axx h GLU 37 N -0.37 0.70 -0.44 1.13 5.08 -1.87 -2.82 114.58 116.00 1axx h GLU 37 Ca 0.02 -0.52 0.07 0.00 -1.00 0.00 0.00 59.36 57.92 1axx h GLU 37 Cb 0.42 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1axx h GLU 37 CO -0.25 1.14 0.30 0.93 -1.00 0.00 0.00 179.01 180.12 1axx h GLU 38 N 0.40 0.29 -6.06 2.33 4.39 -1.78 -3.43 114.58 110.72 1axx h GLU 38 Ca -0.02 -0.02 -0.68 0.00 0.34 0.00 0.00 59.36 58.98 1axx h GLU 38 Cb 1.20 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1axx h GLU 38 CO 0.12 0.19 1.27 1.58 -1.16 0.00 0.00 179.01 181.01 1axx n HIS 39 N -4.47 1.78 -2.00 4.33 -0.00 0.10 -4.81 115.22 110.16 1axx n HIS 39 Ca 0.06 0.31 -0.30 0.00 0.46 0.00 0.00 57.72 58.25 1axx n HIS 39 Cb 0.29 -2.53 -0.06 0.00 -0.12 0.00 0.00 29.99 27.57 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 7.39 1.62 0.00 1.57 -0.04 -1.26 -0.87 135.00 143.40 1axx n PRO 40 Ca 0.36 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1axx n PRO 40 Cb 0.21 -3.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.01 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 5.67 0.98 0.00 0.55 0.00 -1.26 -5.17 105.19 105.97 1axx n GLY 41 Ca 0.45 -0.07 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 3.05 0.10 -0.02 0.00 -0.05 -4.88 105.19 103.40 1axx n GLY 42 Ca 0.00 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 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 0.07 -0.19 1.61 4.22 -1.78 -3.37 114.58 115.14 1axx h GLU 43 Ca 0.00 -0.12 0.01 0.00 0.08 0.00 0.00 59.36 59.33 1axx h GLU 43 Cb 0.00 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1axx h GLU 43 CO 0.00 1.06 0.10 1.49 -2.18 0.00 0.00 179.01 179.48 1axx h GLU 44 N -0.79 0.21 -1.05 1.92 4.81 -1.92 0.52 114.58 118.27 1axx h GLU 44 Ca -0.27 -0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.22 1axx h GLU 44 Cb 1.38 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.61 1axx h GLU 44 CO -0.09 0.14 0.66 -0.39 -0.73 0.00 0.00 179.01 178.59 1axx h VAL 45 N 0.21 0.50 -0.00 0.32 -1.51 -1.90 0.39 116.25 114.26 1axx h VAL 45 Ca 0.08 -0.14 -0.23 0.00 -1.23 0.00 0.00 66.70 65.17 1axx h VAL 45 Cb 0.01 0.05 0.01 0.00 -2.13 0.00 0.00 31.29 29.22 1axx h VAL 45 CO -0.05 0.08 -0.96 -0.07 -1.23 0.00 0.00 177.57 175.34 1axx h LEU 46 N 0.41 0.60 -0.54 4.19 3.38 -0.31 -3.28 115.31 119.77 1axx h LEU 46 Ca 0.62 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1axx h LEU 46 Cb 1.51 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1axx h LEU 46 CO -0.35 1.28 -0.06 0.54 0.09 0.00 0.00 178.44 179.95 1axx n ARG 47 N -3.76 1.20 0.05 1.13 1.74 0.72 -4.12 116.66 113.61 1axx n ARG 47 Ca -0.07 -0.54 -0.15 0.00 -0.77 0.00 0.00 57.85 56.32 1axx n ARG 47 Cb 0.84 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.71 1axx n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1axx h GLU 48 N 1.31 -0.61 0.00 5.56 4.39 -0.42 -3.35 114.58 121.45 1axx h GLU 48 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1axx h GLU 48 Cb 0.36 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1axx h GLU 48 CO 0.00 -0.41 -0.22 1.04 -1.16 0.00 0.00 179.01 178.26 1axx n GLN 49 N -5.46 0.13 -1.42 2.33 1.13 -1.26 -5.12 117.38 107.71 1axx n GLN 49 Ca -0.07 0.16 0.17 0.00 -1.94 0.00 0.00 57.00 55.32 1axx n GLN 49 Cb 0.39 -0.85 -0.09 0.00 0.11 0.00 0.00 30.24 29.80 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 -2.87 -3.72 -4.32 -1.58 0.00 -1.26 -4.84 120.51 101.92 1axx n ALA 50 Ca -0.03 0.90 -0.32 0.00 0.00 0.00 0.00 53.44 54.00 1axx n ALA 50 Cb 0.11 -1.56 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 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 -4.32 -0.14 3.97 0.00 0.00 0.89 -4.81 105.19 100.78 1axx n GLY 51 Ca -0.09 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.31 -0.23 -0.89 -0.02 0.00 -1.26 -3.94 107.32 96.66 1axx s GLY 52 Ca 0.06 0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 1axx s GLY 52 CO 1.00 5.87 1.98 0.51 0.00 0.00 0.00 173.10 182.45 1axx s ASP 53 N -3.82 5.06 0.00 1.64 -4.77 -1.26 -2.22 116.67 111.29 1axx s ASP 53 Ca 0.30 -0.60 0.23 0.00 -3.30 0.00 0.00 52.55 49.17 1axx s ASP 53 Cb 0.01 -2.56 0.80 0.00 -1.09 0.00 0.00 42.92 40.08 1axx s ASP 53 CO -0.03 -2.82 1.58 0.00 0.70 0.00 0.00 175.17 174.61 1axx n ALA 54 N 14.28 2.53 -0.18 2.11 0.00 -1.11 -4.34 120.51 133.80 1axx n ALA 54 Ca 0.40 -0.53 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1axx n ALA 54 Cb 0.47 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 2.37 0.47 -0.49 0.00 2.02 -1.83 -0.04 112.91 115.41 1axx h THR 55 Ca 0.00 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.26 1axx h THR 55 Cb 0.52 0.44 -0.10 0.00 -1.74 0.00 0.00 68.15 67.26 1axx h THR 55 CO 0.00 0.01 -0.28 -0.08 0.37 0.00 0.00 175.52 175.54 1axx h GLU 56 N 0.04 -0.16 0.61 6.66 4.81 -1.92 0.23 114.58 124.85 1axx h GLU 56 Ca 0.28 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1axx h GLU 56 Cb 0.43 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1axx h GLU 56 CO -0.54 -0.11 -0.29 -0.97 -0.73 0.00 0.00 179.01 176.36 1axx h ASN 57 N -0.17 -0.70 -0.98 1.04 -0.73 -1.69 0.24 115.58 112.58 1axx h ASN 57 Ca 0.22 0.02 0.23 0.00 1.87 0.00 0.00 56.30 58.64 1axx h ASN 57 Cb 0.51 0.18 -0.08 0.00 0.27 0.00 0.00 38.32 39.20 1axx h ASN 57 CO -0.59 -0.49 0.64 0.15 -0.37 0.00 0.00 177.43 176.77 1axx h PHE 58 N -0.83 0.66 0.08 0.67 3.57 -0.12 -0.02 116.94 120.95 1axx h PHE 58 Ca -0.08 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.15 1axx h PHE 58 Cb 0.63 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1axx h PHE 58 CO -0.03 0.12 -1.44 0.93 -2.23 0.00 0.00 178.31 175.66 1axx h GLU 59 N 0.45 0.17 -0.44 1.11 4.39 -0.35 -0.83 114.58 119.08 1axx h GLU 59 Ca 0.54 -0.29 0.08 0.00 0.34 0.00 0.00 59.36 60.03 1axx h GLU 59 Cb 1.30 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.99 1axx h GLU 59 CO -0.26 1.01 0.05 0.22 -1.16 0.00 0.00 179.01 178.87 1axx h ASP 60 N 0.05 -0.08 1.31 1.42 3.58 0.14 0.39 116.42 123.23 1axx h ASP 60 Ca -0.20 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.26 1axx h ASP 60 Cb 1.97 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 43.15 1axx h ASP 60 CO 0.15 -0.01 -0.41 -0.37 -2.88 0.00 0.00 179.24 175.72 1axx h VAL 61 N 0.17 0.77 0.00 2.25 -1.51 -1.48 -3.48 116.25 112.97 1axx h VAL 61 Ca 0.22 -1.86 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 1axx h VAL 61 Cb 0.30 2.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1axx h VAL 61 CO -0.32 0.40 0.00 0.61 -1.23 0.00 0.00 177.57 177.03 1axx n GLY 62 N 0.87 1.65 0.96 5.19 0.00 0.13 -4.86 105.19 109.13 1axx n GLY 62 Ca 0.01 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.60 -1.85 1.61 8.25 -1.25 -4.72 115.22 114.67 1axx n HIS 63 Ca 0.00 1.44 -0.30 0.00 -0.26 0.00 0.00 57.72 58.60 1axx n HIS 63 Cb 0.00 -2.36 0.06 0.00 1.12 0.00 0.00 29.99 28.80 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 -6.11 5.23 0.15 0.41 0.01 -1.26 -4.99 113.70 107.15 1axx s SER 64 Ca 0.00 1.11 -0.16 0.00 1.31 0.00 0.00 55.95 58.22 1axx s SER 64 Cb 0.00 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.38 1axx s SER 64 CO 0.00 -1.48 1.81 0.74 0.41 0.00 0.00 173.24 174.72 1axx h THR 65 N -0.75 1.12 -0.87 1.44 2.02 -2.01 -2.39 112.91 111.47 1axx h THR 65 Ca -0.45 -0.24 0.23 0.00 0.77 0.00 0.00 66.41 66.72 1axx h THR 65 Cb 1.26 0.52 -0.15 0.00 -1.74 0.00 0.00 68.15 68.05 1axx h THR 65 CO 0.63 0.12 0.15 0.44 0.37 0.00 0.00 175.52 177.24 1axx h ASP 66 N 0.57 -0.15 -0.67 4.18 5.19 -2.00 0.29 116.42 123.83 1axx h ASP 66 Ca 0.15 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1axx h ASP 66 Cb -0.04 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 1axx h ASP 66 CO -0.03 -0.20 0.41 0.00 -3.12 0.00 0.00 179.24 176.30 1axx h ALA 67 N 1.81 1.45 -0.44 3.45 0.00 -1.81 0.20 119.26 123.91 1axx h ALA 67 Ca 0.54 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 1axx h ALA 67 Cb 1.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1axx h ALA 67 CO -0.71 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 178.96 1axx h ARG 68 N 0.93 0.76 -0.27 0.00 3.08 -0.40 0.25 114.38 118.74 1axx h ARG 68 Ca 0.24 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1axx h ARG 68 Cb -0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1axx h ARG 68 CO -0.05 0.81 -0.21 0.93 -1.07 0.00 0.00 179.97 180.38 1axx h GLU 69 N 0.70 0.62 -0.92 0.04 5.08 -0.74 -2.86 114.58 116.51 1axx h GLU 69 Ca 0.13 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1axx h GLU 69 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1axx h GLU 69 CO 0.03 0.90 0.60 1.25 -1.00 0.00 0.00 179.01 180.79 1axx h LEU 70 N 0.34 1.06 -0.66 1.33 5.85 -0.38 -0.85 115.31 122.00 1axx h LEU 70 Ca 0.05 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.82 1axx h LEU 70 Cb 0.76 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1axx h LEU 70 CO 0.06 0.77 0.33 0.77 -0.34 0.00 0.00 178.44 180.03 1axx h SER 71 N 1.25 0.45 -0.67 1.25 4.64 -0.48 -1.39 113.55 118.60 1axx h SER 71 Ca 0.34 0.05 0.13 0.00 -0.47 0.00 0.00 61.79 61.84 1axx h SER 71 Cb -0.14 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 61.83 1axx h SER 71 CO -0.07 0.28 0.17 0.11 -0.87 0.00 0.00 176.83 176.44 1axx h LYS 72 N 0.59 0.28 -0.03 4.77 6.56 -0.92 0.29 116.57 128.12 1axx h LYS 72 Ca 0.32 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.90 1axx h LYS 72 Cb 0.29 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1axx h LYS 72 CO -0.23 0.19 0.11 1.15 -2.06 0.00 0.00 179.45 178.60 1axx h THR 73 N 0.29 0.13 -0.03 -0.16 2.02 -1.05 -0.12 112.91 114.00 1axx h THR 73 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1axx h THR 73 Cb 0.56 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1axx h THR 73 CO -0.44 0.00 -0.04 -1.22 0.37 0.00 0.00 175.52 174.19 1axx n TYR 74 N -3.23 0.00 -2.03 3.16 4.01 0.91 -4.98 117.16 115.00 1axx n TYR 74 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1axx n TYR 74 Cb 0.18 0.00 -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 -1.85 3.19 -0.23 -0.72 2.07 -0.06 -2.04 121.20 121.56 1axx s ILE 75 Ca 0.25 0.68 -0.12 0.00 -1.41 0.00 0.00 60.65 60.05 1axx s ILE 75 Cb 0.18 -3.44 -0.10 0.00 0.13 0.00 0.00 42.46 39.23 1axx s ILE 75 CO 0.29 0.01 -0.30 2.30 -1.91 0.00 0.00 174.94 175.33 1axx n ILE 76 N 4.54 1.29 -2.34 2.00 -5.35 -0.81 -4.92 119.36 113.77 1axx n ILE 76 Ca 0.14 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1axx n ILE 76 Cb 0.41 -1.83 0.00 0.00 -1.74 0.00 0.00 39.64 36.48 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 1.54 1.93 2.50 3.28 0.00 -1.21 -4.50 105.19 108.73 1axx n GLY 77 Ca -0.45 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 1axx n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1axx n GLU 78 N 0.00 0.66 -3.34 1.61 4.71 -1.09 -0.31 120.64 122.88 1axx n GLU 78 Ca 0.00 -2.57 -0.38 0.00 -0.01 0.00 0.00 57.16 54.20 1axx n GLU 78 Cb 0.00 1.42 -0.06 0.00 -1.01 0.00 0.00 31.44 31.79 1axx n GLU 78 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1axx s LEU 79 N 0.00 4.32 0.09 -4.62 1.43 -1.25 -0.32 118.68 118.33 1axx s LEU 79 Ca 0.16 0.85 -0.35 0.00 -1.03 0.00 0.00 54.13 53.76 1axx s LEU 79 Cb 0.01 -2.68 -0.18 0.00 0.03 0.00 0.00 46.19 43.36 1axx s LEU 79 CO 0.11 0.07 0.95 1.57 0.23 0.00 0.00 176.35 179.28 1axx n HIS 80 N 3.29 0.50 0.14 0.29 -0.00 0.38 -4.77 115.22 115.05 1axx n HIS 80 Ca -0.08 0.94 0.04 0.00 0.46 0.00 0.00 57.72 59.08 1axx n HIS 80 Cb 0.52 -2.10 0.46 0.00 -0.12 0.00 0.00 29.99 28.74 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 2.61 0.22 -1.02 1.57 0.13 -1.95 -1.20 132.00 132.36 1axx h PRO 81 Ca -0.43 -0.03 0.31 0.00 -0.87 0.00 0.00 66.00 64.97 1axx h PRO 81 Cb 1.41 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.36 1axx h PRO 81 CO 0.64 0.28 0.59 -0.44 -0.23 0.00 0.00 178.00 178.84 1axx h ASP 82 N 0.22 0.53 -1.19 1.44 5.19 -2.00 0.88 116.42 121.49 1axx h ASP 82 Ca 0.05 0.17 -0.61 0.00 -0.62 0.00 0.00 57.03 56.02 1axx h ASP 82 Cb 0.21 0.11 -0.38 0.00 0.18 0.00 0.00 39.33 39.45 1axx h ASP 82 CO 0.01 -0.08 -0.27 -0.67 -3.12 0.00 0.00 179.24 175.11 1axx n ASP 83 N -4.98 5.66 -0.02 6.45 -0.08 -0.46 -4.58 116.55 118.54 1axx n ASP 83 Ca 0.31 -3.76 -0.13 0.00 -1.51 0.00 0.00 54.79 49.70 1axx n ASP 83 Cb 0.95 -0.58 -0.14 0.00 2.34 0.00 0.00 41.12 43.70 1axx n ASP 83 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1axx n ARG 84 N -0.65 0.68 -0.11 -0.67 0.00 0.30 -4.26 116.66 111.95 1axx n ARG 84 Ca 0.47 0.27 -0.23 0.00 -0.00 0.00 0.00 57.85 58.36 1axx n ARG 84 Cb 0.73 -1.74 -0.12 0.00 0.00 0.00 0.00 32.46 31.33 1axx n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1axx n SER 85 N -3.19 1.98 0.48 6.15 2.88 -1.26 -4.73 113.62 115.93 1axx n SER 85 Ca -0.24 0.12 -0.19 0.00 -1.33 0.00 0.00 58.87 57.24 1axx n SER 85 Cb 1.05 -0.66 -0.09 0.00 -0.75 0.00 0.00 64.21 63.76 1axx n SER 85 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1axx h LYS 86 N -0.42 -1.18 -4.76 -1.46 3.11 -1.81 -3.48 116.57 106.59 1axx h LYS 86 Ca -0.58 0.08 -0.13 0.00 -2.81 0.00 0.00 60.65 57.21 1axx h LYS 86 Cb 1.77 0.27 0.01 0.00 -1.00 0.00 0.00 32.23 33.27 1axx h LYS 86 CO -0.19 -0.78 -0.73 -0.89 -2.81 0.00 0.00 179.45 174.05 1axx n ILE 87 N -5.59 -1.92 -1.26 2.00 5.41 -1.26 -4.86 119.36 111.89 1axx n ILE 87 Ca -0.15 0.18 -0.35 0.00 1.00 0.00 0.00 62.75 63.43 1axx n ILE 87 Cb 0.48 -2.13 0.09 0.00 -0.71 0.00 0.00 39.64 37.37 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1axx n ALA 88 N 0.43 -0.76 -1.57 -1.39 0.00 -1.26 -4.77 120.51 111.19 1axx n ALA 88 Ca -0.03 -0.25 -0.54 0.00 0.00 0.00 0.00 53.44 52.62 1axx n ALA 88 Cb 0.39 -2.03 -0.07 0.00 0.00 0.00 0.00 19.45 17.74 1axx n ALA 88 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1axx n LYS 89 N -1.68 0.83 -1.03 0.00 -0.00 -1.26 -4.93 118.16 110.09 1axx n LYS 89 Ca 0.12 0.30 -0.29 0.00 -0.00 0.00 0.00 58.31 58.43 1axx n LYS 89 Cb 0.50 -1.91 0.23 0.00 -0.00 0.00 0.00 35.03 33.85 1axx n LYS 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1axx s PRO 90 N 0.52 -0.84 0.31 -1.58 0.04 -1.26 -5.07 135.00 127.11 1axx s PRO 90 Ca 0.87 0.17 0.07 0.00 0.04 0.00 0.00 61.00 62.14 1axx s PRO 90 Cb -1.05 -1.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 1axx s PRO 90 CO 0.51 -3.51 0.33 -1.54 0.04 0.00 0.00 177.00 172.83 1axx s SER 91 N -3.63 5.64 -0.01 6.66 1.04 -1.26 -5.08 113.70 117.06 1axx s SER 91 Ca 0.69 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 1axx s SER 91 Cb -0.14 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 1axx s SER 91 CO 0.57 -0.29 1.25 -0.70 0.98 0.00 0.00 173.24 175.06 1axx s GLU 92 N -4.02 4.35 -0.13 4.02 -6.30 -1.26 -4.93 118.70 110.43 1axx s GLU 92 Ca 0.40 1.78 -0.13 0.00 -2.50 0.00 0.00 54.97 54.51 1axx s GLU 92 Cb -0.08 -3.50 -0.05 0.00 0.00 0.00 0.00 34.13 30.50 1axx s GLU 92 CO 0.28 -0.43 -0.27 0.25 0.02 0.00 0.00 175.26 175.10 1axx n THR 93 N 4.45 1.40 -0.74 -1.70 -2.24 -1.26 -5.10 114.28 109.10 1axx n THR 93 Ca 0.11 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1axx n THR 93 Cb 0.45 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 1axx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39