#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myf s LEU 2 N 0.00 2.29 0.00 7.52 1.43 -1.26 -4.94 118.68 123.72 1myf s LEU 2 Ca 0.00 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1myf s LEU 2 Cb 0.00 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.57 1myf s LEU 2 CO 0.00 -0.01 0.77 -0.24 0.23 0.00 0.00 176.35 177.10 1myf n SER 3 N 1.16 -1.14 -0.06 2.29 2.88 -1.26 -5.03 113.62 112.46 1myf n SER 3 Ca -0.20 -1.54 -0.12 0.00 -1.33 0.00 0.00 58.87 55.68 1myf n SER 3 Cb 0.54 1.85 -0.07 0.00 -0.75 0.00 0.00 64.21 65.78 1myf n SER 3 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1myf h GLU 4 N 0.00 -0.44 -0.31 -1.46 4.81 -1.99 -0.70 114.58 114.48 1myf h GLU 4 Ca -0.18 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1myf h GLU 4 Cb 0.85 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.25 1myf h GLU 4 CO 0.25 -0.29 -0.24 0.78 -0.73 0.00 0.00 179.01 178.78 1myf h GLY 5 N -0.45 -0.09 0.64 1.92 0.00 -1.99 0.24 103.07 103.33 1myf h GLY 5 Ca 0.09 0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.76 1myf h GLY 5 CO -0.48 -0.20 0.09 0.83 0.00 0.00 0.00 176.54 176.78 1myf h GLU 6 N -0.21 0.22 -0.83 4.80 3.07 -1.88 -0.49 114.58 119.25 1myf h GLU 6 Ca 0.16 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1myf h GLU 6 Cb 0.46 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 1myf h GLU 6 CO -0.43 0.14 0.54 -1.49 -1.40 0.00 0.00 179.01 176.37 1myf h TRP 7 N 0.22 1.00 -0.34 4.33 -0.00 -0.20 -1.58 115.95 119.40 1myf h TRP 7 Ca 0.16 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.08 1myf h TRP 7 Cb 0.16 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 28.97 1myf h TRP 7 CO -0.17 0.58 0.21 1.96 -0.00 0.00 0.00 178.44 181.02 1myf h GLN 8 N 1.04 0.45 0.07 0.49 1.08 0.92 0.96 115.11 120.13 1myf h GLN 8 Ca 0.33 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.52 1myf h GLN 8 Cb 0.01 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1myf h GLN 8 CO -0.11 0.32 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.78 1myf h LEU 9 N 0.44 -0.67 -0.01 1.46 3.38 -0.88 0.42 115.31 119.45 1myf h LEU 9 Ca 0.12 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1myf h LEU 9 Cb -0.02 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1myf h LEU 9 CO -0.02 -0.31 -0.34 0.58 0.09 0.00 0.00 178.44 178.44 1myf h VAL 10 N -0.41 0.27 -0.87 1.22 2.07 -0.77 -0.99 116.25 116.78 1myf h VAL 10 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1myf h VAL 10 Cb 0.45 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1myf h VAL 10 CO -0.16 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 177.93 1myf h LEU 11 N -0.48 0.95 0.56 2.57 3.38 -0.68 0.23 115.31 121.85 1myf h LEU 11 Ca 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1myf h LEU 11 Cb 0.58 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1myf h LEU 11 CO -0.28 0.67 -0.27 0.45 0.09 0.00 0.00 178.44 179.09 1myf h HIS 12 N 1.11 -0.70 -0.94 1.13 3.86 0.04 0.73 115.15 120.38 1myf h HIS 12 Ca 0.34 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.58 1myf h HIS 12 Cb -0.02 0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 1myf h HIS 12 CO -0.00 -0.42 0.61 0.28 0.86 0.00 0.00 177.93 179.27 1myf h VAL 13 N -0.80 1.12 -0.32 2.45 2.07 -0.82 -1.40 116.25 118.56 1myf h VAL 13 Ca -0.08 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1myf h VAL 13 Cb 0.60 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1myf h VAL 13 CO 0.13 0.21 -0.09 -0.25 0.02 0.00 0.00 177.57 177.58 1myf h TRP 14 N 1.13 0.56 -0.64 1.57 2.91 -0.26 0.19 115.95 121.42 1myf h TRP 14 Ca 0.39 -0.08 0.06 0.00 1.13 0.00 0.00 58.89 60.39 1myf h TRP 14 Cb 0.10 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.56 1myf h TRP 14 CO -0.00 0.61 0.42 0.00 -1.03 0.00 0.00 178.44 178.44 1myf h ALA 15 N 1.41 1.76 -0.25 2.65 0.00 0.29 0.12 119.26 125.25 1myf h ALA 15 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1myf h ALA 15 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1myf h ALA 15 CO 0.02 0.14 -0.28 0.87 0.00 0.00 0.00 179.25 180.00 1myf h LYS 16 N 0.65 0.50 0.82 0.00 1.79 -0.48 0.76 116.57 120.60 1myf h LYS 16 Ca 0.27 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1myf h LYS 16 Cb 0.25 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1myf h LYS 16 CO -0.08 0.74 -0.39 0.28 -1.08 0.00 0.00 179.45 178.91 1myf h VAL 17 N 0.44 0.08 -0.95 0.50 2.07 -0.63 -3.12 116.25 114.64 1myf h VAL 17 Ca 0.06 -0.15 0.18 0.00 0.82 0.00 0.00 66.70 67.61 1myf h VAL 17 Cb 0.72 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1myf h VAL 17 CO 0.06 0.01 0.54 -0.33 0.02 0.00 0.00 177.57 177.86 1myf h GLU 18 N -1.23 0.67 -1.26 1.57 4.39 -0.62 0.46 114.58 118.55 1myf h GLU 18 Ca -0.11 -0.04 0.38 0.00 0.34 0.00 0.00 59.36 59.93 1myf h GLU 18 Cb 0.85 -0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.25 1myf h GLU 18 CO 0.18 0.44 0.83 0.00 -1.16 0.00 0.00 179.01 179.31 1myf h ALA 19 N 1.62 2.70 -2.07 3.43 0.00 -0.78 -0.60 119.26 123.56 1myf h ALA 19 Ca 0.54 0.07 -0.51 0.00 0.00 0.00 0.00 54.91 55.01 1myf h ALA 19 Cb 0.83 0.13 -0.41 0.00 0.00 0.00 0.00 17.79 18.35 1myf h ALA 19 CO -0.39 -1.22 -1.06 -3.47 0.00 0.00 0.00 179.25 173.12 1myf n ASP 20 N -4.56 1.78 -0.05 0.00 2.03 0.05 -4.97 116.55 110.82 1myf n ASP 20 Ca 0.33 -3.18 -0.10 0.00 0.52 0.00 0.00 54.79 52.35 1myf n ASP 20 Cb 1.28 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 41.04 1myf n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1myf h VAL 21 N 1.52 0.23 -0.78 5.18 3.04 -0.02 0.47 116.25 125.89 1myf h VAL 21 Ca 0.11 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.87 1myf h VAL 21 Cb 0.85 0.23 -0.06 0.00 -2.01 0.00 0.00 31.29 30.30 1myf h VAL 21 CO 0.58 0.00 0.45 0.00 -1.01 0.00 0.00 177.57 177.59 1myf h ALA 22 N 0.48 1.08 0.73 3.17 0.00 -1.87 0.25 119.26 123.11 1myf h ALA 22 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1myf h ALA 22 Cb 0.56 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1myf h ALA 22 CO -0.43 0.12 -0.35 0.78 0.00 0.00 0.00 179.25 179.36 1myf h GLY 23 N 0.79 -1.02 0.30 0.00 0.00 -1.56 0.92 103.07 102.49 1myf h GLY 23 Ca 0.36 0.38 0.04 0.00 0.00 0.00 0.00 47.33 48.11 1myf h GLY 23 CO -0.21 -0.37 -0.27 0.45 0.00 0.00 0.00 176.54 176.14 1myf h HIS 24 N -1.05 -0.72 -0.45 5.60 3.86 -0.72 0.16 115.15 121.84 1myf h HIS 24 Ca -0.10 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.23 1myf h HIS 24 Cb 0.77 0.33 -0.10 0.00 1.06 0.00 0.00 27.41 29.47 1myf h HIS 24 CO -0.01 -0.35 -0.27 0.78 0.86 0.00 0.00 177.93 178.94 1myf h GLY 25 N -0.36 -0.04 0.66 2.45 0.00 -0.39 0.15 103.07 105.53 1myf h GLY 25 Ca 0.09 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 1myf h GLY 25 CO -0.29 -0.21 -0.28 -1.61 0.00 0.00 0.00 176.54 174.15 1myf h GLN 26 N -0.18 -0.75 -0.92 4.80 4.15 -0.19 -3.02 115.11 119.01 1myf h GLN 26 Ca 0.20 0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.83 1myf h GLN 26 Cb 0.50 0.17 -0.16 0.00 0.21 0.00 0.00 27.48 28.20 1myf h GLN 26 CO -0.55 -0.45 -0.30 -0.25 -1.93 0.00 0.00 178.83 175.34 1myf n ASP 27 N -5.31 -0.48 0.03 -0.69 8.00 0.51 -0.08 116.55 118.53 1myf n ASP 27 Ca -0.11 1.60 -0.10 0.00 0.71 0.00 0.00 54.79 56.89 1myf n ASP 27 Cb 0.33 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 1myf n ASP 27 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1myf h ILE 28 N 0.00 0.66 -0.31 0.53 2.04 -0.73 0.12 117.51 119.83 1myf h ILE 28 Ca 0.37 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.15 1myf h ILE 28 Cb 0.60 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1myf h ILE 28 CO -0.93 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.02 1myf h LEU 29 N -0.20 0.64 -0.43 1.44 3.38 -0.68 -0.38 115.31 119.09 1myf h LEU 29 Ca 0.06 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1myf h LEU 29 Cb 0.28 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1myf h LEU 29 CO -0.16 0.90 0.14 0.40 0.09 0.00 0.00 178.44 179.80 1myf h ILE 30 N 0.39 0.84 -0.05 1.22 2.04 -0.13 0.25 117.51 122.07 1myf h ILE 30 Ca 0.07 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1myf h ILE 30 Cb 0.65 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1myf h ILE 30 CO 0.04 0.05 0.03 0.03 0.00 0.00 0.00 178.15 178.30 1myf h ARG 31 N 0.29 0.07 -0.97 2.37 2.47 -0.63 0.17 114.38 118.15 1myf h ARG 31 Ca 0.20 -0.01 0.11 0.00 -1.26 0.00 0.00 59.98 59.03 1myf h ARG 31 Cb 0.21 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.44 1myf h ARG 31 CO -0.22 0.12 0.62 1.25 0.56 0.00 0.00 179.97 182.30 1myf h LEU 32 N -0.01 0.90 0.04 3.04 5.85 0.03 -0.10 115.31 125.06 1myf h LEU 32 Ca 0.02 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1myf h LEU 32 Cb 0.07 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.97 1myf h LEU 32 CO -0.00 0.50 -0.47 -0.26 -0.34 0.00 0.00 178.44 177.87 1myf h PHE 33 N 0.97 0.40 -0.71 1.25 0.04 -0.27 -3.19 116.94 115.44 1myf h PHE 33 Ca 0.47 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1myf h PHE 33 Cb 0.45 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 1myf h PHE 33 CO -0.00 1.10 0.42 0.87 -0.60 0.00 0.00 178.31 180.10 1myf h LYS 34 N -0.42 0.97 0.00 1.51 1.57 -0.80 -3.05 116.57 116.34 1myf h LYS 34 Ca -0.07 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1myf h LYS 34 Cb 1.26 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1myf h LYS 34 CO 0.09 0.70 0.00 -1.13 -0.57 0.00 0.00 179.45 178.54 1myf n SER 35 N -4.52 0.00 -3.69 0.86 3.41 -0.07 -4.61 113.62 105.00 1myf n SER 35 Ca 0.06 0.79 -0.27 0.00 -0.26 0.00 0.00 58.87 59.19 1myf n SER 35 Cb 0.06 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 1myf n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1myf n HIS 36 N -1.70 2.91 0.17 7.33 1.44 -1.20 -5.01 115.22 119.16 1myf n HIS 36 Ca 0.00 -4.16 0.04 0.00 -2.01 0.00 0.00 57.72 51.59 1myf n HIS 36 Cb 0.00 -0.53 0.07 0.00 0.12 0.00 0.00 29.99 29.65 1myf n HIS 36 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1myf n PRO 37 N 1.66 0.02 -0.33 -1.40 -0.02 -1.15 -1.53 135.00 132.25 1myf n PRO 37 Ca 0.24 0.74 0.19 0.00 -2.02 0.00 0.00 63.50 62.65 1myf n PRO 37 Cb 0.39 -1.98 0.44 0.00 -0.02 0.00 0.00 33.50 32.33 1myf n PRO 37 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1myf h GLU 38 N 0.00 0.50 -0.60 -0.52 5.08 -1.91 0.86 114.58 118.00 1myf h GLU 38 Ca 0.07 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1myf h GLU 38 Cb 1.68 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 1myf h GLU 38 CO -0.00 0.33 0.04 1.79 -1.00 0.00 0.00 179.01 180.16 1myf h THR 39 N 0.51 1.26 -0.21 1.13 1.35 -1.56 -2.99 112.91 112.41 1myf h THR 39 Ca 0.60 -1.08 -0.06 0.00 -0.55 0.00 0.00 66.41 65.31 1myf h THR 39 Cb 1.30 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1myf h THR 39 CO -0.35 0.40 -0.11 0.25 -0.25 0.00 0.00 175.52 175.45 1myf h LEU 40 N 0.94 0.46 -1.51 3.87 5.85 -1.12 -2.97 115.31 120.84 1myf h LEU 40 Ca 0.18 -0.42 0.28 0.00 0.84 0.00 0.00 57.88 58.75 1myf h LEU 40 Cb 0.50 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 1myf h LEU 40 CO 0.02 0.78 0.69 -0.33 -0.34 0.00 0.00 178.44 179.26 1myf h GLU 41 N 0.14 0.30 0.00 1.25 5.08 -1.00 -0.33 114.58 120.02 1myf h GLU 41 Ca 0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1myf h GLU 41 Cb 0.61 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1myf h GLU 41 CO 0.03 0.20 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.92 1myf h LYS 42 N 0.31 0.00 -6.19 2.33 1.63 -1.38 -3.42 116.57 109.85 1myf h LYS 42 Ca 0.58 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.79 1myf h LYS 42 Cb 1.63 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.17 1myf h LYS 42 CO -0.23 0.10 0.68 -0.06 -3.45 0.00 0.00 179.45 176.49 1myf s PHE 43 N -3.94 3.06 0.28 1.91 0.40 -0.13 -4.92 117.98 114.63 1myf s PHE 43 Ca -0.01 0.83 -0.03 0.00 -0.60 0.00 0.00 56.93 57.12 1myf s PHE 43 Cb 0.11 -3.75 0.38 0.00 0.51 0.00 0.00 43.02 40.28 1myf s PHE 43 CO 0.56 -0.87 1.90 0.22 0.70 0.00 0.00 175.22 177.74 1myf h ASP 44 N 8.50 0.94 0.57 1.36 3.58 -1.86 0.17 116.42 129.68 1myf h ASP 44 Ca -0.23 -0.08 -0.27 0.00 0.42 0.00 0.00 57.03 56.87 1myf h ASP 44 Cb 1.07 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.89 1myf h ASP 44 CO 1.01 0.75 -1.23 0.03 -2.88 0.00 0.00 179.24 176.92 1myf h ARG 45 N 1.06 0.31 0.00 0.28 3.08 -1.95 -3.38 114.38 113.77 1myf h ARG 45 Ca 0.27 -0.50 -0.11 0.00 0.07 0.00 0.00 59.98 59.70 1myf h ARG 45 Cb 0.03 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1myf h ARG 45 CO -0.04 1.23 -1.77 1.19 -1.07 0.00 0.00 179.97 179.50 1myf n PHE 46 N -3.57 0.39 -0.33 3.04 3.72 -1.04 -4.40 117.46 115.27 1myf n PHE 46 Ca -0.09 0.12 0.32 0.00 -0.05 0.00 0.00 57.45 57.76 1myf n PHE 46 Cb 1.01 -0.82 0.69 0.00 -0.94 0.00 0.00 39.48 39.42 1myf n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1myf h LYS 47 N 0.00 0.10 0.00 -1.08 2.10 -0.76 0.15 116.57 117.08 1myf h LYS 47 Ca -0.15 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.49 1myf h LYS 47 Cb 1.39 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1myf h LYS 47 CO 0.02 0.07 -0.05 1.12 -2.00 0.00 0.00 179.45 178.60 1myf h HIS 48 N 0.10 0.00 0.00 0.07 2.07 -1.82 -3.31 115.15 112.26 1myf h HIS 48 Ca 0.58 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 57.45 1myf h HIS 48 Cb 2.09 0.00 0.01 0.00 2.57 0.00 0.00 27.41 32.08 1myf h HIS 48 CO -0.00 0.05 3.38 1.28 -3.07 0.00 0.00 177.93 179.57 1myf n LEU 49 N -3.36 7.41 0.10 6.12 4.77 0.53 -4.52 117.00 128.05 1myf n LEU 49 Ca -0.02 -4.03 -0.00 0.00 -0.03 0.00 0.00 56.01 51.93 1myf n LEU 49 Cb 0.19 -1.51 0.29 0.00 -2.33 0.00 0.00 43.42 40.06 1myf n LEU 49 CO 0.26 1.43 0.75 0.50 -1.33 0.00 0.00 177.39 179.00 1myf h LYS 50 N 5.67 0.24 -5.03 3.23 3.64 -1.82 -3.30 116.57 119.20 1myf h LYS 50 Ca 0.70 -0.09 -0.58 0.00 -1.27 0.00 0.00 60.65 59.42 1myf h LYS 50 Cb 0.41 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1myf h LYS 50 CO 1.80 0.52 2.08 0.25 -2.27 0.00 0.00 179.45 181.83 1myf n THR 51 N -4.13 2.72 -1.58 1.00 -2.24 -1.26 -4.86 114.28 103.93 1myf n THR 51 Ca -0.01 -2.63 -0.29 0.00 -2.27 0.00 0.00 64.05 58.85 1myf n THR 51 Cb 0.39 -2.34 -0.08 0.00 -2.10 0.00 0.00 70.33 66.20 1myf n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1myf n GLU 52 N 7.56 0.96 0.00 -0.78 1.02 -1.25 -1.82 120.64 126.33 1myf n GLU 52 Ca 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 1myf n GLU 52 Cb 0.43 -3.50 0.00 0.00 -0.02 0.00 0.00 31.44 28.35 1myf n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1myf n ALA 53 N 14.16 0.00 0.12 0.62 0.00 -1.26 -4.88 120.51 129.27 1myf n ALA 53 Ca 0.45 0.00 0.17 0.00 0.00 0.00 0.00 53.44 54.06 1myf n ALA 53 Cb 0.45 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.62 1myf n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1myf h GLU 54 N 0.00 0.00 -0.98 0.00 3.07 -1.76 -1.41 114.58 113.51 1myf h GLU 54 Ca 0.00 0.00 0.32 0.00 -0.50 0.00 0.00 59.36 59.18 1myf h GLU 54 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.75 1myf h GLU 54 CO 0.00 0.00 0.45 0.00 -1.40 0.00 0.00 179.01 178.06 1myf h MET 55 N 0.00 0.20 -0.77 2.33 -0.00 -1.90 0.12 114.93 114.91 1myf h MET 55 Ca 0.15 -0.01 0.06 0.00 -0.00 0.00 0.00 59.70 59.90 1myf h MET 55 Cb 0.66 -0.05 -0.05 0.00 -0.00 0.00 0.00 31.60 32.17 1myf h MET 55 CO -0.00 0.13 0.51 -0.22 -0.00 0.00 0.00 176.91 177.33 1myf h LYS 56 N 0.21 0.82 -0.53 -0.10 1.63 -1.64 -0.82 116.57 116.15 1myf h LYS 56 Ca 0.71 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.46 1myf h LYS 56 Cb 1.64 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.09 1myf h LYS 56 CO -0.68 0.54 0.00 0.00 -3.45 0.00 0.00 179.45 175.87 1myf n ALA 57 N -2.43 2.91 -2.56 5.00 0.00 0.34 -4.88 120.51 118.88 1myf n ALA 57 Ca 0.11 -1.64 -0.41 0.00 0.00 0.00 0.00 53.44 51.50 1myf n ALA 57 Cb 0.20 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1myf n ALA 57 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1myf s SER 58 N -1.11 6.52 0.32 0.00 0.01 -0.31 -4.82 113.70 114.31 1myf s SER 58 Ca 0.45 -1.52 0.08 0.00 1.31 0.00 0.00 55.95 56.26 1myf s SER 58 Cb 0.29 -2.57 0.79 0.00 0.21 0.00 0.00 66.02 64.74 1myf s SER 58 CO 0.20 -1.48 1.80 -0.33 0.41 0.00 0.00 173.24 173.83 1myf h GLU 59 N 9.65 0.70 -0.39 12.44 4.39 -1.90 0.29 114.58 139.76 1myf h GLU 59 Ca 0.22 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 1myf h GLU 59 Cb 1.00 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1myf h GLU 59 CO 1.43 0.46 -0.04 0.22 -1.16 0.00 0.00 179.01 179.92 1myf h ASP 60 N 0.72 0.62 -0.46 1.42 3.58 -1.98 0.79 116.42 121.12 1myf h ASP 60 Ca 0.55 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.82 1myf h ASP 60 Cb 0.92 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1myf h ASP 60 CO -0.33 0.72 0.13 0.25 -2.88 0.00 0.00 179.24 177.12 1myf h LEU 61 N 0.61 0.67 0.06 2.28 5.85 -0.87 0.17 115.31 124.08 1myf h LEU 61 Ca 0.12 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1myf h LEU 61 Cb 0.44 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1myf h LEU 61 CO 0.02 0.71 -0.05 0.11 -0.34 0.00 0.00 178.44 178.90 1myf h LYS 62 N 0.60 -0.11 -0.91 1.25 1.57 -0.37 0.13 116.57 118.74 1myf h LYS 62 Ca 0.15 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1myf h LYS 62 Cb 0.29 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1myf h LYS 62 CO -0.00 -0.07 0.59 0.87 -0.57 0.00 0.00 179.45 180.26 1myf h LYS 63 N -0.11 0.90 0.09 3.15 1.57 -0.66 0.19 116.57 121.71 1myf h LYS 63 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1myf h LYS 63 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1myf h LYS 63 CO -0.01 0.59 -0.04 1.25 -0.57 0.00 0.00 179.45 180.67 1myf h HIS 64 N 0.92 -0.12 -0.90 -1.35 2.76 0.59 0.16 115.15 117.22 1myf h HIS 64 Ca 0.42 -0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.80 1myf h HIS 64 Cb 0.38 0.04 -0.12 0.00 1.55 0.00 0.00 27.41 29.26 1myf h HIS 64 CO -0.00 0.12 0.41 0.78 -1.30 0.00 0.00 177.93 177.94 1myf h GLY 65 N -0.34 1.54 0.78 5.26 0.00 0.29 0.28 103.07 110.89 1myf h GLY 65 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1myf h GLY 65 CO 0.02 -0.24 -0.13 -2.08 0.00 0.00 0.00 176.54 174.11 1myf h VAL 66 N 0.44 0.78 -0.55 4.60 2.07 -0.80 0.44 116.25 123.23 1myf h VAL 66 Ca 0.55 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.76 1myf h VAL 66 Cb 1.02 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.70 1myf h VAL 66 CO -0.51 0.09 -0.14 0.74 0.02 0.00 0.00 177.57 177.78 1myf h THR 67 N -0.59 0.45 0.67 2.57 2.02 0.11 0.31 112.91 118.46 1myf h THR 67 Ca -0.04 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1myf h THR 67 Cb 0.43 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1myf h THR 67 CO 0.06 0.00 -0.32 0.58 0.37 0.00 0.00 175.52 176.21 1myf h VAL 68 N 0.00 0.26 -0.27 3.16 2.07 -0.43 -0.53 116.25 120.51 1myf h VAL 68 Ca 0.26 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1myf h VAL 68 Cb 0.40 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1myf h VAL 68 CO -0.56 0.02 0.02 -0.07 0.02 0.00 0.00 177.57 177.00 1myf h LEU 69 N -1.04 0.37 -0.57 2.57 3.38 -0.62 -0.72 115.31 118.68 1myf h LEU 69 Ca -0.09 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1myf h LEU 69 Cb 0.72 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1myf h LEU 69 CO 0.15 0.41 -0.07 0.74 0.09 0.00 0.00 178.44 179.76 1myf h THR 70 N 0.39 1.27 0.72 0.22 2.02 -0.21 0.51 112.91 117.82 1myf h THR 70 Ca 0.09 -1.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 1myf h THR 70 Cb 0.23 0.91 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1myf h THR 70 CO 0.00 0.44 -0.35 0.00 0.37 0.00 0.00 175.52 175.99 1myf h ALA 71 N 0.95 -1.02 -0.81 6.16 0.00 -0.36 0.10 119.26 124.28 1myf h ALA 71 Ca 0.15 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1myf h ALA 71 Cb 0.64 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1myf h ALA 71 CO 0.04 -0.95 0.53 1.25 0.00 0.00 0.00 179.25 180.13 1myf h LEU 72 N -1.19 0.78 0.19 0.00 5.85 -1.18 -0.93 115.31 118.83 1myf h LEU 72 Ca -0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1myf h LEU 72 Cb 0.74 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1myf h LEU 72 CO 0.16 0.50 -0.09 1.23 -0.34 0.00 0.00 178.44 179.90 1myf h GLY 73 N 0.89 -0.27 0.80 3.75 0.00 0.05 0.94 103.07 109.23 1myf h GLY 73 Ca 0.35 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.82 1myf h GLY 73 CO -0.12 -0.10 0.37 0.00 0.00 0.00 0.00 176.54 176.69 1myf h ALA 74 N 0.52 0.82 0.04 3.60 0.00 -0.31 0.30 119.26 124.24 1myf h ALA 74 Ca -0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1myf h ALA 74 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1myf h ALA 74 CO 0.04 0.09 -0.18 0.82 0.00 0.00 0.00 179.25 180.02 1myf h ILE 75 N 0.71 0.57 -0.42 0.00 2.04 -0.75 0.12 117.51 119.79 1myf h ILE 75 Ca 0.26 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.16 1myf h ILE 75 Cb 0.08 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1myf h ILE 75 CO -0.13 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.15 1myf h LEU 76 N -0.32 0.29 -1.68 1.44 3.38 -0.34 -2.37 115.31 115.71 1myf h LEU 76 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1myf h LEU 76 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1myf h LEU 76 CO -0.14 0.21 0.12 0.11 0.09 0.00 0.00 178.44 178.83 1myf h LYS 77 N 0.41 0.33 0.00 1.13 1.57 0.40 0.18 116.57 120.59 1myf h LYS 77 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1myf h LYS 77 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1myf h LYS 77 CO -0.13 0.26 0.00 1.63 -0.57 0.00 0.00 179.45 180.64 1myf n LYS 78 N -4.46 0.59 -3.15 3.15 4.76 0.33 -4.90 118.16 114.49 1myf n LYS 78 Ca 0.01 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.25 1myf n LYS 78 Cb 0.10 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 1myf n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myf n LYS 79 N -0.97 -3.06 -0.06 1.97 5.02 0.05 -0.65 118.16 120.45 1myf n LYS 79 Ca 0.13 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1myf n LYS 79 Cb 0.06 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 1myf n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myf n GLY 80 N -1.05 0.45 2.69 0.72 0.00 -1.26 -5.00 105.19 101.75 1myf n GLY 80 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1myf n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myf n HIS 81 N -2.00 3.42 0.00 1.61 8.25 0.17 -4.90 115.22 121.78 1myf n HIS 81 Ca 0.00 -3.65 0.00 0.00 -0.26 0.00 0.00 57.72 53.81 1myf n HIS 81 Cb 0.00 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.37 1myf n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myf n HIS 82 N 0.51 0.00 0.00 4.41 1.44 -1.26 -4.88 115.22 115.44 1myf n HIS 82 Ca 0.32 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 1myf n HIS 82 Cb 0.37 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.48 1myf n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1myf n GLU 83 N 0.00 0.00 0.24 -1.40 1.02 -1.26 -4.61 120.64 114.62 1myf n GLU 83 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1myf n GLU 83 Cb 0.00 -0.14 -0.08 0.00 -0.02 0.00 0.00 31.44 31.20 1myf n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1myf h ALA 84 N 0.00 -0.60 -0.03 0.62 0.00 -2.01 -0.54 119.26 116.70 1myf h ALA 84 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1myf h ALA 84 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1myf h ALA 84 CO 0.00 -0.85 -0.57 0.93 0.00 0.00 0.00 179.25 178.77 1myf h GLU 85 N -0.60 0.10 0.30 0.00 5.08 -2.00 -3.27 114.58 114.19 1myf h GLU 85 Ca -0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1myf h GLU 85 Cb 0.49 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1myf h GLU 85 CO 0.05 0.64 -0.14 1.25 -1.00 0.00 0.00 179.01 179.80 1myf h LEU 86 N 0.07 -0.34 -0.62 1.33 5.85 -1.81 -3.12 115.31 116.68 1myf h LEU 86 Ca -0.00 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1myf h LEU 86 Cb 1.02 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1myf h LEU 86 CO 0.08 -0.20 -0.36 1.17 -0.34 0.00 0.00 178.44 178.79 1myf n LYS 87 N -5.24 -0.27 -0.11 1.25 4.81 -0.25 -0.26 118.16 118.10 1myf n LYS 87 Ca -0.10 1.25 -0.06 0.00 -0.87 0.00 0.00 58.31 58.53 1myf n LYS 87 Cb 0.20 -1.84 0.12 0.00 0.02 0.00 0.00 35.03 33.53 1myf n LYS 87 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1myf h PRO 88 N 0.00 0.80 -0.03 1.64 0.13 -1.76 -0.98 132.00 131.81 1myf h PRO 88 Ca 0.10 -0.26 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1myf h PRO 88 Cb 0.25 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1myf h PRO 88 CO -0.58 0.87 -0.05 1.25 -0.23 0.00 0.00 178.00 179.26 1myf h LEU 89 N 0.73 -0.15 0.02 1.56 5.85 -1.16 -0.22 115.31 121.94 1myf h LEU 89 Ca 0.13 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1myf h LEU 89 Cb 0.58 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1myf h LEU 89 CO 0.04 -0.07 -0.10 0.00 -0.34 0.00 0.00 178.44 177.97 1myf h ALA 90 N 0.94 -0.12 -0.35 1.25 0.00 -0.55 -0.80 119.26 119.62 1myf h ALA 90 Ca 0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1myf h ALA 90 Cb 0.12 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1myf h ALA 90 CO -0.07 -0.60 -0.15 1.96 0.00 0.00 0.00 179.25 180.39 1myf h GLN 91 N -0.18 -0.08 0.66 0.00 4.20 -0.85 0.32 115.11 119.18 1myf h GLN 91 Ca 0.03 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1myf h GLN 91 Cb 0.21 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1myf h GLN 91 CO -0.08 -0.05 -0.32 0.77 -0.67 0.00 0.00 178.83 178.48 1myf h SER 92 N -0.08 -0.75 -0.08 1.46 0.02 -0.82 0.10 113.55 113.40 1myf h SER 92 Ca 0.18 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1myf h SER 92 Cb 0.35 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1myf h SER 92 CO -0.41 -0.47 0.11 0.45 -1.14 0.00 0.00 176.83 175.37 1myf h HIS 93 N -0.99 0.00 0.00 3.45 3.86 -0.91 0.10 115.15 120.66 1myf h HIS 93 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1myf h HIS 93 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1myf h HIS 93 CO -0.01 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.78 1myf n ALA 94 N -2.27 -0.08 0.11 2.45 0.00 0.11 -2.30 120.51 118.54 1myf n ALA 94 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1myf n ALA 94 Cb 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.52 1myf n ALA 94 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1myf h THR 95 N 0.00 1.29 0.00 0.00 1.35 -0.90 0.38 112.91 115.03 1myf h THR 95 Ca 0.00 -2.58 -0.18 0.00 -0.55 0.00 0.00 66.41 63.10 1myf h THR 95 Cb 0.00 2.84 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 1myf h THR 95 CO 0.00 0.78 -1.18 0.29 -0.25 0.00 0.00 175.52 175.16 1myf n LYS 96 N -3.75 0.53 -0.01 4.72 5.02 0.23 -4.38 118.16 120.53 1myf n LYS 96 Ca -0.15 0.51 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 1myf n LYS 96 Cb 1.04 -1.69 0.68 0.00 -0.02 0.00 0.00 35.03 35.03 1myf n LYS 96 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1myf n HIS 97 N -4.47 0.02 -1.78 2.13 8.25 -0.49 -4.94 115.22 113.95 1myf n HIS 97 Ca -0.27 -0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.17 1myf n HIS 97 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 1myf n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1myf n LYS 98 N -0.66 -0.58 0.00 -0.41 4.76 -1.23 -4.95 118.16 115.10 1myf n LYS 98 Ca 0.18 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 1myf n LYS 98 Cb 0.14 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.05 1myf n LYS 98 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1myf n ILE 99 N -0.29 0.00 -0.19 -0.18 -0.00 0.12 -4.90 119.36 113.93 1myf n ILE 99 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.71 1myf n ILE 99 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.69 1myf n ILE 99 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1myf n PRO 100 N 0.00 0.00 0.30 6.28 -0.02 -1.25 -4.68 135.00 135.62 1myf n PRO 100 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1myf n PRO 100 Cb 0.00 -0.20 0.84 0.00 -0.02 0.00 0.00 33.50 34.12 1myf n PRO 100 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1myf h ILE 101 N 1.02 0.00 -0.99 4.25 2.04 -1.61 -2.14 117.51 120.09 1myf h ILE 101 Ca -0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.06 1myf h ILE 101 Cb 0.18 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 36.85 1myf h ILE 101 CO 0.17 0.00 0.62 0.11 0.00 0.00 0.00 178.15 179.05 1myf h LYS 102 N 0.00 0.59 -0.55 2.37 1.57 -1.88 0.43 116.57 119.09 1myf h LYS 102 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1myf h LYS 102 Cb 0.42 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1myf h LYS 102 CO 0.00 0.39 0.30 1.88 -0.57 0.00 0.00 179.45 181.45 1myf h TYR 103 N 0.61 0.74 0.00 -1.35 -1.99 -1.76 0.12 116.97 113.35 1myf h TYR 103 Ca 0.56 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.29 1myf h TYR 103 Cb 1.09 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1myf h TYR 103 CO -0.00 0.52 0.00 -0.07 -0.00 0.00 0.00 178.16 178.61 1myf h LEU 104 N 0.77 0.00 0.08 3.88 3.38 -0.36 -0.42 115.31 122.63 1myf h LEU 104 Ca 0.20 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1myf h LEU 104 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1myf h LEU 104 CO -0.03 0.00 -0.51 -0.33 0.09 0.00 0.00 178.44 177.66 1myf h GLU 105 N 0.00 0.20 -0.63 1.13 5.08 -0.50 -2.61 114.58 117.26 1myf h GLU 105 Ca 0.00 -0.33 0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1myf h GLU 105 Cb 0.37 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 1myf h GLU 105 CO 0.00 1.14 0.05 0.74 -1.00 0.00 0.00 179.01 179.94 1myf h PHE 106 N -0.56 0.05 0.00 4.33 0.04 -0.43 0.83 116.94 121.19 1myf h PHE 106 Ca -0.09 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1myf h PHE 106 Cb 1.38 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.61 1myf h PHE 106 CO 0.22 -0.13 -0.10 0.97 -0.60 0.00 0.00 178.31 178.67 1myf h ILE 107 N 0.16 0.25 -0.51 -0.55 2.10 -1.17 -2.68 117.51 115.12 1myf h ILE 107 Ca 0.34 -0.77 -0.02 0.00 1.08 0.00 0.00 64.86 65.48 1myf h ILE 107 Cb 0.55 1.62 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 1myf h ILE 107 CO -0.51 0.09 0.22 0.28 -1.08 0.00 0.00 178.15 177.16 1myf h SER 108 N 0.00 0.68 -0.30 2.19 0.02 -0.45 0.82 113.55 116.51 1myf h SER 108 Ca -0.00 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1myf h SER 108 Cb 0.61 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1myf h SER 108 CO 0.01 0.64 0.14 -0.33 -1.14 0.00 0.00 176.83 176.16 1myf h GLU 109 N 0.68 0.29 0.23 3.45 4.39 -1.07 0.51 114.58 123.06 1myf h GLU 109 Ca 0.17 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1myf h GLU 109 Cb 0.16 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1myf h GLU 109 CO -0.02 0.19 -0.22 0.00 -1.16 0.00 0.00 179.01 177.80 1myf h ALA 110 N 1.17 -0.46 -0.32 3.43 0.00 -1.22 0.43 119.26 122.28 1myf h ALA 110 Ca 0.13 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1myf h ALA 110 Cb 0.06 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1myf h ALA 110 CO -0.10 -0.79 -0.25 0.82 0.00 0.00 0.00 179.25 178.93 1myf h ILE 111 N -0.48 0.35 -0.42 0.00 2.04 -0.56 0.97 117.51 119.40 1myf h ILE 111 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1myf h ILE 111 Cb 0.44 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1myf h ILE 111 CO -0.04 0.00 0.21 0.40 0.00 0.00 0.00 178.15 178.71 1myf h ILE 112 N -0.22 0.96 0.19 -0.67 2.04 -0.67 0.09 117.51 119.24 1myf h ILE 112 Ca 0.16 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1myf h ILE 112 Cb 0.48 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1myf h ILE 112 CO -0.45 0.08 -0.17 -0.74 0.00 0.00 0.00 178.15 176.86 1myf h HIS 113 N 0.42 -0.45 -0.27 1.37 2.76 0.53 0.30 115.15 119.80 1myf h HIS 113 Ca 0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1myf h HIS 113 Cb 0.10 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 1myf h HIS 113 CO -0.11 -0.26 0.18 0.28 -1.30 0.00 0.00 177.93 176.72 1myf h VAL 114 N -0.39 1.07 0.01 5.26 2.07 -0.47 0.22 116.25 124.04 1myf h VAL 114 Ca -0.00 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1myf h VAL 114 Cb 0.36 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1myf h VAL 114 CO -0.03 0.07 -0.24 -0.07 0.02 0.00 0.00 177.57 177.32 1myf h LEU 115 N 0.37 -0.70 -0.67 2.57 3.38 -0.80 0.14 115.31 119.60 1myf h LEU 115 Ca 0.10 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1myf h LEU 115 Cb -0.04 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1myf h LEU 115 CO -0.02 -0.31 0.39 -0.74 0.09 0.00 0.00 178.44 177.84 1myf h HIS 116 N -0.38 0.71 0.09 1.13 2.76 -0.67 0.26 115.15 119.05 1myf h HIS 116 Ca 0.06 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1myf h HIS 116 Cb 0.46 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1myf h HIS 116 CO -0.27 0.36 -0.04 0.77 -1.30 0.00 0.00 177.93 177.44 1myf h SER 117 N 0.72 -0.11 1.18 3.26 0.02 -0.21 -3.13 113.55 115.28 1myf h SER 117 Ca 0.29 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 1myf h SER 117 Cb 0.14 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1myf h SER 117 CO -0.16 0.17 -0.85 0.03 -1.14 0.00 0.00 176.83 174.87 1myf h ARG 118 N -0.38 0.00 -2.15 3.45 3.08 -0.66 -3.40 114.38 114.32 1myf h ARG 118 Ca -0.01 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 1myf h ARG 118 Cb 0.32 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.96 1myf h ARG 118 CO 0.02 0.60 -0.92 0.72 -1.07 0.00 0.00 179.97 179.32 1myf n HIS 119 N -3.19 2.14 0.23 3.04 8.25 0.90 -4.98 115.22 121.61 1myf n HIS 119 Ca -0.02 -3.91 -0.10 0.00 -0.26 0.00 0.00 57.72 53.44 1myf n HIS 119 Cb 0.83 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 1myf n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myf h PRO 120 N 3.01 -0.59 -2.09 -0.41 0.13 -1.72 0.17 132.00 130.49 1myf h PRO 120 Ca 0.12 0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.20 1myf h PRO 120 Cb 0.73 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.97 1myf h PRO 120 CO 0.66 -0.40 -0.13 0.41 -0.23 0.00 0.00 178.00 178.32 1myf n GLY 121 N -1.32 2.43 0.84 1.56 0.00 -1.26 -3.11 105.19 104.33 1myf n GLY 121 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1myf n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1myf n ASP 122 N 2.13 0.00 -3.20 1.61 2.03 -1.18 -4.93 116.55 113.02 1myf n ASP 122 Ca 0.19 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.14 1myf n ASP 122 Cb 0.60 0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 41.17 1myf n ASP 122 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1myf n PHE 123 N -1.91 2.20 -1.55 -0.67 7.35 0.57 -4.83 117.46 118.63 1myf n PHE 123 Ca 0.00 -2.86 -0.29 0.00 -0.76 0.00 0.00 57.45 53.54 1myf n PHE 123 Cb 0.00 -2.25 0.11 0.00 0.35 0.00 0.00 39.48 37.70 1myf n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1myf s GLY 124 N 1.73 1.60 0.24 7.13 0.00 -1.26 -4.65 107.32 112.12 1myf s GLY 124 Ca 0.66 -0.37 -0.07 0.00 0.00 0.00 0.00 44.72 44.94 1myf s GLY 124 CO -0.07 0.13 1.64 0.00 0.00 0.00 0.00 173.10 174.80 1myf h ALA 125 N -1.29 0.77 -0.05 3.20 0.00 -1.97 0.11 119.26 120.04 1myf h ALA 125 Ca -0.49 0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1myf h ALA 125 Cb 1.30 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1myf h ALA 125 CO 0.61 -0.42 -0.10 -0.44 0.00 0.00 0.00 179.25 178.90 1myf h ASP 126 N 0.10 -0.29 -0.15 0.00 5.19 -1.97 0.90 116.42 120.21 1myf h ASP 126 Ca 0.41 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1myf h ASP 126 Cb 0.71 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1myf h ASP 126 CO -0.66 -0.13 0.08 0.00 -3.12 0.00 0.00 179.24 175.41 1myf h ALA 127 N 0.88 0.19 -0.20 3.45 0.00 -1.56 -1.00 119.26 121.02 1myf h ALA 127 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1myf h ALA 127 Cb 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1myf h ALA 127 CO -0.13 -0.28 -0.47 0.37 0.00 0.00 0.00 179.25 178.74 1myf h GLN 128 N 0.14 -0.47 -0.32 0.00 4.15 -0.36 0.17 115.11 118.42 1myf h GLN 128 Ca 0.05 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.56 1myf h GLN 128 Cb 0.07 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.82 1myf h GLN 128 CO -0.01 -0.31 -0.01 0.78 -1.93 0.00 0.00 178.83 177.35 1myf h GLY 129 N -0.49 0.31 0.78 2.39 0.00 -0.73 0.15 103.07 105.47 1myf h GLY 129 Ca 0.07 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1myf h GLY 129 CO -0.46 -0.07 0.04 0.00 0.00 0.00 0.00 176.54 176.05 1myf h ALA 130 N 1.28 0.21 -0.60 3.60 0.00 -0.43 0.67 119.26 124.00 1myf h ALA 130 Ca 0.15 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1myf h ALA 130 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1myf h ALA 130 CO -0.26 -0.38 0.10 1.98 0.00 0.00 0.00 179.25 180.68 1myf h MET 131 N 0.13 0.99 -0.54 0.00 -1.53 -0.41 -1.17 114.93 112.39 1myf h MET 131 Ca 0.09 -0.27 0.09 0.00 -3.44 0.00 0.00 59.70 56.17 1myf h MET 131 Cb 0.08 -0.12 -0.07 0.00 -0.55 0.00 0.00 31.60 30.95 1myf h MET 131 CO -0.12 0.93 0.15 -0.97 0.14 0.00 0.00 176.91 177.05 1myf h ASN 132 N 0.89 0.10 0.21 1.39 -1.24 -0.26 0.31 115.58 116.97 1myf h ASN 132 Ca 0.18 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 1myf h ASN 132 Cb 0.42 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1myf h ASN 132 CO 0.01 0.07 -0.16 0.11 -1.29 0.00 0.00 177.43 176.17 1myf h LYS 133 N 0.31 -0.36 -0.96 6.67 1.79 -0.51 0.12 116.57 123.63 1myf h LYS 133 Ca 0.27 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.86 1myf h LYS 133 Cb 0.35 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.01 1myf h LYS 133 CO -0.32 -0.24 0.61 0.00 -1.08 0.00 0.00 179.45 178.42 1myf h ALA 134 N 0.39 1.54 -0.14 3.86 0.00 -0.36 0.25 119.26 124.79 1myf h ALA 134 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1myf h ALA 134 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1myf h ALA 134 CO -0.01 0.27 -0.45 1.25 0.00 0.00 0.00 179.25 180.31 1myf h LEU 135 N 1.00 0.64 -0.96 0.00 5.85 -0.14 -0.11 115.31 121.60 1myf h LEU 135 Ca 0.44 -0.60 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1myf h LEU 135 Cb 0.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1myf h LEU 135 CO -0.20 1.13 0.05 -0.33 -0.34 0.00 0.00 178.44 178.75 1myf h GLU 136 N 0.19 0.80 -0.20 1.25 4.39 -0.21 0.74 114.58 121.54 1myf h GLU 136 Ca -0.02 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1myf h GLU 136 Cb 1.07 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1myf h GLU 136 CO 0.10 0.78 0.13 1.25 -1.16 0.00 0.00 179.01 180.10 1myf h LEU 137 N 0.76 0.24 0.15 1.33 7.12 -0.41 0.19 115.31 124.69 1myf h LEU 137 Ca 0.16 -0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.15 1myf h LEU 137 Cb 0.40 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 1myf h LEU 137 CO 0.01 0.19 -0.30 0.15 -0.13 0.00 0.00 178.44 178.37 1myf h PHE 138 N 0.26 -0.80 -0.39 1.25 3.57 0.25 0.20 116.94 121.28 1myf h PHE 138 Ca 0.07 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.67 1myf h PHE 138 Cb -0.00 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 1myf h PHE 138 CO -0.06 -0.41 -0.12 -0.09 -2.23 0.00 0.00 178.31 175.41 1myf h ARG 139 N -0.53 -0.03 -0.41 1.11 2.43 -0.66 -0.40 114.38 115.88 1myf h ARG 139 Ca 0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1myf h ARG 139 Cb 0.55 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1myf h ARG 139 CO -0.15 -0.02 0.08 -0.22 -1.51 0.00 0.00 179.97 178.15 1myf h LYS 140 N -0.03 0.62 -0.13 0.20 3.64 -0.04 0.13 116.57 120.96 1myf h LYS 140 Ca 0.19 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1myf h LYS 140 Cb 0.32 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1myf h LYS 140 CO -0.41 0.59 -0.10 0.22 -2.27 0.00 0.00 179.45 177.47 1myf h ASP 141 N 0.60 0.32 -0.73 4.20 3.58 0.88 -0.05 116.42 125.22 1myf h ASP 141 Ca 0.14 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 1myf h ASP 141 Cb 0.26 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1myf h ASP 141 CO 0.00 0.70 0.40 0.40 -2.88 0.00 0.00 179.24 177.85 1myf h ILE 142 N -0.06 1.22 -0.06 2.25 2.04 -0.86 0.13 117.51 122.17 1myf h ILE 142 Ca 0.03 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1myf h ILE 142 Cb 0.59 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1myf h ILE 142 CO 0.03 0.24 -0.10 0.00 0.00 0.00 0.00 178.15 178.32 1myf h ALA 143 N 1.20 -0.05 -0.76 1.87 0.00 -0.52 0.33 119.26 121.32 1myf h ALA 143 Ca 0.26 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1myf h ALA 143 Cb 0.04 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1myf h ALA 143 CO -0.04 -0.57 0.47 0.00 0.00 0.00 0.00 179.25 179.11 1myf h ALA 144 N 0.90 1.02 -0.68 0.00 0.00 -0.54 -1.31 119.26 118.64 1myf h ALA 144 Ca 0.06 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1myf h ALA 144 Cb 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1myf h ALA 144 CO -0.14 0.23 0.43 -0.22 0.00 0.00 0.00 179.25 179.54 1myf h LYS 145 N 0.89 0.82 -0.19 0.00 1.63 0.29 -0.05 116.57 119.95 1myf h LYS 145 Ca 0.32 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.10 1myf h LYS 145 Cb 0.10 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1myf h LYS 145 CO -0.14 0.54 0.02 1.88 -3.45 0.00 0.00 179.45 178.30 1myf h TYR 146 N 0.85 0.03 -0.31 1.91 -1.99 0.30 0.16 116.97 117.92 1myf h TYR 146 Ca 0.27 0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.05 1myf h TYR 146 Cb 0.00 0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 1myf h TYR 146 CO -0.04 -0.00 0.10 0.87 -0.00 0.00 0.00 178.16 179.09 1myf h LYS 147 N 0.09 0.22 -0.30 4.88 1.79 -0.75 0.36 116.57 122.85 1myf h LYS 147 Ca 0.09 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 1myf h LYS 147 Cb 0.09 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 1myf h LYS 147 CO -0.13 0.15 0.08 0.93 -1.08 0.00 0.00 179.45 179.40 1myf h GLU 148 N 0.23 0.20 0.00 3.15 5.08 -0.19 -2.18 114.58 120.86 1myf h GLU 148 Ca 0.14 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1myf h GLU 148 Cb 0.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1myf h GLU 148 CO -0.15 0.13 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.62 1myf h LEU 149 N 0.21 0.00 -0.02 1.33 3.38 -0.31 -3.47 115.31 116.43 1myf h LEU 149 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1myf h LEU 149 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1myf h LEU 149 CO -0.16 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1myf n GLY 150 N -0.59 0.53 3.00 0.83 0.00 0.91 -5.08 105.19 104.79 1myf n GLY 150 Ca -0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1myf n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1myf s TYR 151 N -1.10 1.06 -0.17 1.61 1.51 0.72 -4.99 117.35 115.99 1myf s TYR 151 Ca 0.00 -0.30 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 1myf s TYR 151 Cb 0.00 -0.78 -0.22 0.00 -0.11 0.00 0.00 41.96 40.85 1myf s TYR 151 CO 0.00 -0.15 0.49 -0.56 -1.11 0.00 0.00 175.55 174.22 1myf h GLN 152 N 6.61 0.00 0.00 -0.62 -0.00 -1.96 -3.24 115.11 115.90 1myf h GLN 152 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1myf h GLN 152 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 1myf h GLN 152 CO 0.48 0.94 0.00 0.41 -0.00 0.00 0.00 178.83 180.66