#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 3.09 0.88 7.52 1.02 -1.26 -5.08 118.68 124.85 1myf s LEU 2 Ca 0.00 -0.16 -0.12 0.00 0.02 0.00 0.00 54.13 53.87 1myf s LEU 2 Cb 0.00 -1.72 0.12 0.00 0.02 0.00 0.00 46.19 44.61 1myf s LEU 2 CO 0.00 0.21 1.11 -0.94 0.02 0.00 0.00 176.35 176.75 1myf s SER 3 N 0.11 3.72 0.24 2.29 1.04 -1.26 -4.75 113.70 115.09 1myf s SER 3 Ca -0.03 1.20 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 1myf s SER 3 Cb -0.14 -1.86 0.43 0.00 0.10 0.00 0.00 66.02 64.55 1myf s SER 3 CO 0.03 -2.45 1.74 -0.08 0.98 0.00 0.00 173.24 173.47 1myf h GLU 4 N -1.42 0.46 -0.11 4.02 4.57 -1.99 0.65 114.58 120.76 1myf h GLU 4 Ca -0.50 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1myf h GLU 4 Cb 1.30 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1myf h GLU 4 CO 0.59 0.31 0.03 0.78 -1.18 0.00 0.00 179.01 179.54 1myf h GLY 5 N 0.48 0.13 1.00 1.92 0.00 -1.99 0.11 103.07 104.72 1myf h GLY 5 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1myf h GLY 5 CO -0.37 0.01 0.31 0.83 0.00 0.00 0.00 176.54 177.32 1myf h GLU 6 N 0.08 0.61 -0.43 4.80 5.08 -1.68 -0.01 114.58 123.03 1myf h GLU 6 Ca 0.05 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1myf h GLU 6 Cb 0.03 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1myf h GLU 6 CO -0.06 0.40 0.25 -1.49 -1.00 0.00 0.00 179.01 177.12 1myf h TRP 7 N 0.63 0.48 -0.41 4.33 -0.00 -0.61 -0.33 115.95 120.03 1myf h TRP 7 Ca 0.17 0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.12 1myf h TRP 7 Cb -0.07 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 28.90 1myf h TRP 7 CO -0.04 0.28 0.18 1.96 -0.00 0.00 0.00 178.44 180.81 1myf h GLN 8 N 0.51 0.36 -0.03 0.49 4.20 -0.10 0.15 115.11 120.70 1myf h GLN 8 Ca 0.17 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1myf h GLN 8 Cb 0.01 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1myf h GLN 8 CO -0.08 0.24 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.09 1myf h LEU 9 N 0.37 -0.47 0.38 1.46 3.38 -0.75 0.94 115.31 120.62 1myf h LEU 9 Ca 0.18 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1myf h LEU 9 Cb 0.13 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1myf h LEU 9 CO -0.16 -0.22 -0.46 0.58 0.09 0.00 0.00 178.44 178.28 1myf h VAL 10 N -0.25 0.09 -0.98 1.22 2.07 -0.37 0.15 116.25 118.18 1myf h VAL 10 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1myf h VAL 10 Cb 0.33 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 1myf h VAL 10 CO -0.18 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 177.97 1myf h LEU 11 N -0.87 1.00 0.78 2.57 3.38 -0.64 0.31 115.31 121.84 1myf h LEU 11 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1myf h LEU 11 Cb 0.79 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1myf h LEU 11 CO -0.11 0.63 -0.39 -0.74 0.09 0.00 0.00 178.44 177.91 1myf h HIS 12 N 1.13 -1.02 -0.72 1.13 2.76 -0.17 -0.40 115.15 117.85 1myf h HIS 12 Ca 0.43 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.63 1myf h HIS 12 Cb 0.19 0.34 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 1myf h HIS 12 CO -0.01 -0.63 0.48 0.28 -1.30 0.00 0.00 177.93 176.75 1myf h VAL 13 N -1.08 1.05 -0.24 5.26 2.07 -0.60 -1.49 116.25 121.23 1myf h VAL 13 Ca -0.11 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1myf h VAL 13 Cb 0.83 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1myf h VAL 13 CO 0.16 0.15 -0.14 -0.25 0.02 0.00 0.00 177.57 177.51 1myf h TRP 14 N 0.80 0.42 -0.28 1.57 2.91 -0.06 0.16 115.95 121.47 1myf h TRP 14 Ca 0.30 -0.06 0.08 0.00 1.13 0.00 0.00 58.89 60.34 1myf h TRP 14 Cb 0.19 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1myf h TRP 14 CO -0.00 0.53 0.25 0.00 -1.03 0.00 0.00 178.44 178.18 1myf h ALA 15 N 1.49 2.08 -0.28 2.65 0.00 0.04 0.18 119.26 125.41 1myf h ALA 15 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1myf h ALA 15 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1myf h ALA 15 CO 0.03 -0.39 -0.23 0.87 0.00 0.00 0.00 179.25 179.52 1myf h LYS 16 N 0.00 0.65 0.58 0.00 1.79 -0.71 0.14 116.57 119.02 1myf h LYS 16 Ca 0.13 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 1myf h LYS 16 Cb 0.62 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1myf h LYS 16 CO -0.00 0.93 -0.32 0.28 -1.08 0.00 0.00 179.45 179.26 1myf h VAL 17 N 0.39 0.35 -0.64 0.50 2.07 -1.17 -2.81 116.25 114.94 1myf h VAL 17 Ca 0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.70 1myf h VAL 17 Cb 0.79 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1myf h VAL 17 CO 0.06 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 178.00 1myf h GLU 18 N -0.83 0.31 0.00 1.57 4.57 -0.60 0.14 114.58 119.75 1myf h GLU 18 Ca -0.07 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1myf h GLU 18 Cb 0.66 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1myf h GLU 18 CO 0.10 0.21 -0.06 0.00 -1.18 0.00 0.00 179.01 178.08 1myf h ALA 19 N 1.69 1.60 -1.77 2.92 0.00 -0.44 -3.27 119.26 119.99 1myf h ALA 19 Ca 0.30 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.68 1myf h ALA 19 Cb 0.75 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.16 1myf h ALA 19 CO -0.08 0.07 -1.08 -3.47 0.00 0.00 0.00 179.25 174.69 1myf n ASP 20 N -4.03 0.20 0.03 0.00 2.03 0.37 -5.00 116.55 110.16 1myf n ASP 20 Ca -0.03 -2.96 -0.12 0.00 0.52 0.00 0.00 54.79 52.21 1myf n ASP 20 Cb 0.14 -0.34 -0.06 0.00 -0.72 0.00 0.00 41.12 40.15 1myf n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myf h VAL 21 N 1.59 0.21 -0.60 5.18 2.07 -1.28 -0.30 116.25 123.11 1myf h VAL 21 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1myf h VAL 21 Cb 0.95 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1myf h VAL 21 CO 0.45 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.40 1myf h ALA 22 N 0.16 0.78 0.53 1.67 0.00 -1.87 0.30 119.26 120.84 1myf h ALA 22 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1myf h ALA 22 Cb 0.61 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1myf h ALA 22 CO -0.34 0.09 -0.25 0.78 0.00 0.00 0.00 179.25 179.53 1myf h GLY 23 N 0.71 -0.74 0.70 0.00 0.00 -1.78 0.12 103.07 102.08 1myf h GLY 23 Ca 0.25 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.87 1myf h GLY 23 CO -0.11 -0.27 -0.08 0.45 0.00 0.00 0.00 176.54 176.53 1myf h HIS 24 N -0.87 -0.20 -0.12 5.60 3.86 -0.96 -0.17 115.15 122.29 1myf h HIS 24 Ca -0.07 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1myf h HIS 24 Cb 0.60 0.10 -0.06 0.00 1.06 0.00 0.00 27.41 29.12 1myf h HIS 24 CO -0.01 -0.13 -0.26 0.78 0.86 0.00 0.00 177.93 179.18 1myf h GLY 25 N -0.11 -0.31 0.81 2.45 0.00 -0.32 0.31 103.07 105.90 1myf h GLY 25 Ca 0.06 0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1myf h GLY 25 CO -0.14 -0.21 -0.29 -1.61 0.00 0.00 0.00 176.54 174.29 1myf h GLN 26 N -0.34 -0.79 -0.88 4.80 4.15 -0.52 -1.98 115.11 119.55 1myf h GLN 26 Ca 0.10 0.05 0.23 0.00 0.77 0.00 0.00 58.65 59.80 1myf h GLN 26 Cb 0.48 0.18 -0.15 0.00 0.21 0.00 0.00 27.48 28.20 1myf h GLN 26 CO -0.31 -0.48 0.14 0.22 -1.93 0.00 0.00 178.83 176.47 1myf h ASP 27 N -1.03 -0.19 -0.02 -0.69 3.58 -0.78 0.27 116.42 117.58 1myf h ASP 27 Ca -0.08 0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1myf h ASP 27 Cb 0.68 0.34 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 1myf h ASP 27 CO 0.14 -0.21 0.01 0.40 -2.88 0.00 0.00 179.24 176.69 1myf h ILE 28 N 0.13 1.07 -0.08 2.25 2.04 -0.17 0.27 117.51 123.02 1myf h ILE 28 Ca 0.54 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 1myf h ILE 28 Cb 1.07 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1myf h ILE 28 CO -0.72 0.05 0.00 -0.07 0.00 0.00 0.00 178.15 177.42 1myf h LEU 29 N -0.05 0.13 -0.66 1.44 3.38 -0.19 0.79 115.31 120.14 1myf h LEU 29 Ca 0.01 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1myf h LEU 29 Cb 0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1myf h LEU 29 CO -0.00 0.39 0.37 0.40 0.09 0.00 0.00 178.44 179.69 1myf h ILE 30 N -0.13 0.97 -0.07 1.22 2.04 -0.42 0.13 117.51 121.25 1myf h ILE 30 Ca 0.02 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1myf h ILE 30 Cb 0.32 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1myf h ILE 30 CO 0.00 0.12 0.04 -0.09 0.00 0.00 0.00 178.15 178.22 1myf h ARG 31 N 0.68 0.09 -0.57 2.37 2.43 -0.31 0.96 114.38 120.04 1myf h ARG 31 Ca 0.30 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 1myf h ARG 31 Cb 0.18 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1myf h ARG 31 CO -0.18 0.15 0.30 1.25 -1.51 0.00 0.00 179.97 179.98 1myf h LEU 32 N 0.01 0.44 0.01 3.80 5.85 0.17 0.16 115.31 125.75 1myf h LEU 32 Ca 0.02 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1myf h LEU 32 Cb 0.08 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1myf h LEU 32 CO -0.00 0.29 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.12 1myf h PHE 33 N 0.57 -0.02 -0.27 1.25 0.04 -0.57 0.14 116.94 118.09 1myf h PHE 33 Ca 0.25 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1myf h PHE 33 Cb 0.15 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1myf h PHE 33 CO -0.09 0.32 0.18 0.87 -0.60 0.00 0.00 178.31 178.98 1myf h LYS 34 N -0.35 0.35 -0.16 1.51 1.57 -0.53 -2.05 116.57 116.91 1myf h LYS 34 Ca -0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1myf h LYS 34 Cb 0.34 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1myf h LYS 34 CO 0.00 0.24 -0.49 0.77 -0.57 0.00 0.00 179.45 179.40 1myf h SER 35 N 0.36 0.71 -2.64 0.86 0.02 -0.73 -3.39 113.55 108.73 1myf h SER 35 Ca 0.10 -0.60 -0.60 0.00 -0.84 0.00 0.00 61.79 59.85 1myf h SER 35 Cb -0.04 -0.21 -0.41 0.00 0.14 0.00 0.00 62.40 61.89 1myf h SER 35 CO -0.02 1.18 -0.75 1.41 -1.14 0.00 0.00 176.83 177.51 1myf n HIS 36 N -4.19 1.71 -0.36 3.45 8.25 0.48 -4.98 115.22 119.57 1myf n HIS 36 Ca -0.07 -3.92 0.28 0.00 -0.26 0.00 0.00 57.72 53.76 1myf n HIS 36 Cb 0.59 -0.32 0.57 0.00 1.12 0.00 0.00 29.99 31.96 1myf n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myf h PRO 37 N 5.17 0.25 0.00 -0.41 0.11 -1.55 0.04 132.00 135.61 1myf h PRO 37 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1myf h PRO 37 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1myf h PRO 37 CO 0.61 0.17 0.24 1.05 -0.21 0.00 0.00 178.00 179.86 1myf h GLU 38 N 0.26 0.00 -0.05 1.05 9.09 -1.91 -1.97 114.58 121.05 1myf h GLU 38 Ca 0.67 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.83 1myf h GLU 38 Cb 1.92 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 29.03 1myf h GLU 38 CO -0.31 0.00 -0.94 1.79 0.05 0.00 0.00 179.01 179.60 1myf h THR 39 N 0.00 1.29 -0.51 -1.06 1.35 -1.28 -3.31 112.91 109.40 1myf h THR 39 Ca 0.00 -2.17 -0.06 0.00 -0.55 0.00 0.00 66.41 63.63 1myf h THR 39 Cb 0.49 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 1myf h THR 39 CO 0.00 0.67 0.08 0.25 -0.25 0.00 0.00 175.52 176.28 1myf h LEU 40 N 0.43 0.75 -1.70 3.87 5.85 -1.52 -2.23 115.31 120.75 1myf h LEU 40 Ca -0.10 -0.15 0.35 0.00 0.84 0.00 0.00 57.88 58.83 1myf h LEU 40 Cb 1.58 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.33 1myf h LEU 40 CO 0.18 0.77 0.84 -0.33 -0.34 0.00 0.00 178.44 179.57 1myf h GLU 41 N 0.76 0.13 0.00 1.25 5.08 -1.63 0.54 114.58 120.71 1myf h GLU 41 Ca 0.16 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1myf h GLU 41 Cb 0.35 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1myf h GLU 41 CO 0.01 0.09 -0.33 0.87 -1.00 0.00 0.00 179.01 178.64 1myf h LYS 42 N 0.14 0.00 -6.07 2.33 1.79 -1.58 -3.42 116.57 109.76 1myf h LYS 42 Ca 0.65 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.53 1myf h LYS 42 Cb 2.20 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.75 1myf h LYS 42 CO -0.16 0.33 0.78 -0.06 -1.08 0.00 0.00 179.45 179.26 1myf s PHE 43 N -3.47 2.60 0.35 -1.35 0.40 0.18 -4.89 117.98 111.80 1myf s PHE 43 Ca 0.01 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 1myf s PHE 43 Cb 0.10 -4.36 0.66 0.00 0.51 0.00 0.00 43.02 39.93 1myf s PHE 43 CO 0.68 -1.64 1.93 -0.44 0.70 0.00 0.00 175.22 176.45 1myf h ASP 44 N 9.59 0.53 0.28 1.36 3.32 -1.84 0.20 116.42 129.86 1myf h ASP 44 Ca -0.27 -0.07 -0.27 0.00 0.02 0.00 0.00 57.03 56.45 1myf h ASP 44 Cb 1.06 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.49 1myf h ASP 44 CO 1.18 0.51 -1.13 -0.09 -1.72 0.00 0.00 179.24 177.99 1myf h ARG 45 N 0.57 0.49 0.00 3.56 2.43 -1.95 -3.38 114.38 116.10 1myf h ARG 45 Ca 0.14 -0.63 -0.10 0.00 -0.81 0.00 0.00 59.98 58.58 1myf h ARG 45 Cb 0.18 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1myf h ARG 45 CO -0.01 1.25 -1.79 1.19 -1.51 0.00 0.00 179.97 179.10 1myf n PHE 46 N -3.73 0.34 -0.31 2.20 3.72 -1.01 -4.40 117.46 114.28 1myf n PHE 46 Ca -0.10 0.11 0.31 0.00 -0.05 0.00 0.00 57.45 57.72 1myf n PHE 46 Cb 0.93 -0.77 0.69 0.00 -0.94 0.00 0.00 39.48 39.39 1myf n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1myf h LYS 47 N 0.00 0.09 0.00 -1.08 3.64 -0.79 0.15 116.57 118.59 1myf h LYS 47 Ca -0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1myf h LYS 47 Cb 1.33 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1myf h LYS 47 CO 0.01 0.06 0.00 1.12 -2.27 0.00 0.00 179.45 178.38 1myf h HIS 48 N 0.10 0.00 0.00 1.91 2.07 -1.80 -3.36 115.15 114.06 1myf h HIS 48 Ca 0.56 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 57.41 1myf h HIS 48 Cb 2.01 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.99 1myf h HIS 48 CO -0.00 0.00 3.20 1.28 -3.07 0.00 0.00 177.93 179.34 1myf n LEU 49 N -3.01 6.91 0.03 6.12 4.77 0.54 -4.57 117.00 127.79 1myf n LEU 49 Ca 0.01 -3.94 -0.06 0.00 -0.03 0.00 0.00 56.01 51.98 1myf n LEU 49 Cb 0.30 -1.51 0.12 0.00 -2.33 0.00 0.00 43.42 40.00 1myf n LEU 49 CO 0.26 1.16 0.56 0.50 -1.33 0.00 0.00 177.39 178.55 1myf h LYS 50 N 5.98 0.43 -6.24 3.23 1.63 -1.83 -3.41 116.57 116.35 1myf h LYS 50 Ca 0.64 -0.24 -0.53 0.00 -0.85 0.00 0.00 60.65 59.67 1myf h LYS 50 Cb 0.50 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.08 1myf h LYS 50 CO 1.83 0.81 1.16 0.95 -3.45 0.00 0.00 179.45 180.75 1myf s THR 51 N -4.08 3.61 0.32 1.00 -4.23 -1.26 -4.89 115.64 106.11 1myf s THR 51 Ca -0.06 0.36 0.11 0.00 -1.18 0.00 0.00 61.69 60.92 1myf s THR 51 Cb 0.12 -4.58 0.32 0.00 1.34 0.00 0.00 72.50 69.70 1myf s THR 51 CO 0.81 -1.52 1.67 -0.08 -0.54 0.00 0.00 174.62 174.96 1myf h GLU 52 N 11.64 0.34 -0.73 3.99 4.22 -1.99 0.29 114.58 132.33 1myf h GLU 52 Ca -0.27 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.22 1myf h GLU 52 Cb 1.09 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 1myf h GLU 52 CO 1.25 0.22 0.40 0.00 -2.18 0.00 0.00 179.01 178.71 1myf h ALA 53 N 1.81 1.01 -0.35 2.92 0.00 -1.96 0.12 119.26 122.81 1myf h ALA 53 Ca 0.68 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.50 1myf h ALA 53 Cb 1.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1myf h ALA 53 CO -0.59 0.05 -0.24 0.93 0.00 0.00 0.00 179.25 179.40 1myf h GLU 54 N 0.71 0.78 -0.47 0.00 3.07 -0.89 -2.75 114.58 115.04 1myf h GLU 54 Ca 0.34 -0.37 0.08 0.00 -0.50 0.00 0.00 59.36 58.92 1myf h GLU 54 Cb 0.28 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.12 1myf h GLU 54 CO -0.22 0.99 0.07 1.98 -1.40 0.00 0.00 179.01 180.43 1myf h MET 55 N 0.56 0.19 -0.92 2.33 4.05 0.11 0.19 114.93 121.44 1myf h MET 55 Ca 0.07 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.54 1myf h MET 55 Cb 0.80 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.50 1myf h MET 55 CO 0.06 0.13 0.60 0.87 0.23 0.00 0.00 176.91 178.80 1myf h LYS 56 N 0.19 1.02 -0.37 0.39 1.79 -0.75 -0.73 116.57 118.11 1myf h LYS 56 Ca 0.23 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1myf h LYS 56 Cb 0.32 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1myf h LYS 56 CO -0.33 0.68 0.00 0.00 -1.08 0.00 0.00 179.45 178.72 1myf n ALA 57 N -2.39 2.45 -2.34 3.86 0.00 0.21 -4.83 120.51 117.47 1myf n ALA 57 Ca 0.14 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.53 1myf n ALA 57 Cb 0.19 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.10 5.91 0.34 0.00 0.01 0.42 -4.78 113.70 114.51 1myf s SER 58 Ca 0.29 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.52 1myf s SER 58 Cb 0.15 -2.56 0.65 0.00 0.21 0.00 0.00 66.02 64.47 1myf s SER 58 CO 0.20 -2.04 1.97 -0.08 0.41 0.00 0.00 173.24 173.70 1myf h GLU 59 N 10.54 0.84 -0.14 12.44 4.22 -1.88 0.52 114.58 141.13 1myf h GLU 59 Ca 0.13 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.56 1myf h GLU 59 Cb 1.01 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1myf h GLU 59 CO 1.33 0.55 -0.15 0.38 -2.18 0.00 0.00 179.01 178.95 1myf h ASP 60 N 0.86 -0.46 -0.68 1.04 2.03 -1.98 0.94 116.42 118.16 1myf h ASP 60 Ca 0.30 0.09 0.02 0.00 -0.73 0.00 0.00 57.03 56.71 1myf h ASP 60 Cb 0.11 0.22 -0.04 0.00 -0.83 0.00 0.00 39.33 38.80 1myf h ASP 60 CO -0.09 -0.19 0.44 0.25 -1.03 0.00 0.00 179.24 178.61 1myf h LEU 61 N -0.18 0.73 0.00 0.15 5.85 -1.50 0.12 115.31 120.48 1myf h LEU 61 Ca 0.10 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1myf h LEU 61 Cb 0.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1myf h LEU 61 CO -0.25 0.51 -0.06 0.11 -0.34 0.00 0.00 178.44 178.41 1myf h LYS 62 N 0.87 -0.11 -0.46 1.25 1.57 -0.19 0.15 116.57 119.64 1myf h LYS 62 Ca 0.27 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 1myf h LYS 62 Cb -0.02 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1myf h LYS 62 CO -0.09 -0.07 0.31 0.87 -0.57 0.00 0.00 179.45 179.90 1myf h LYS 63 N -0.12 0.41 -0.00 3.15 1.57 -0.45 0.72 116.57 121.84 1myf h LYS 63 Ca 0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1myf h LYS 63 Cb 0.15 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1myf h LYS 63 CO -0.06 0.27 0.00 1.25 -0.57 0.00 0.00 179.45 180.34 1myf h HIS 64 N 0.42 0.01 -0.92 -1.35 2.76 0.11 0.25 115.15 116.42 1myf h HIS 64 Ca 0.20 -0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.57 1myf h HIS 64 Cb 0.26 -0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.10 1myf h HIS 64 CO -0.00 0.25 0.47 0.78 -1.30 0.00 0.00 177.93 178.13 1myf h GLY 65 N -0.24 1.61 0.87 5.26 0.00 0.94 0.32 103.07 111.84 1myf h GLY 65 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1myf h GLY 65 CO 0.00 -0.19 -0.15 -2.08 0.00 0.00 0.00 176.54 174.12 1myf h VAL 66 N 0.53 0.72 -0.43 4.60 2.07 -0.67 0.79 116.25 123.86 1myf h VAL 66 Ca 0.56 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.91 1myf h VAL 66 Cb 0.99 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 1myf h VAL 66 CO -0.46 0.05 -0.12 0.74 0.02 0.00 0.00 177.57 177.80 1myf h THR 67 N -0.55 0.55 0.67 2.57 2.02 0.12 0.24 112.91 118.54 1myf h THR 67 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1myf h THR 67 Cb 0.40 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1myf h THR 67 CO 0.07 0.00 -0.32 0.58 0.37 0.00 0.00 175.52 176.22 1myf h VAL 68 N -0.01 0.00 -0.80 3.16 2.07 -0.34 0.01 116.25 120.34 1myf h VAL 68 Ca 0.21 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1myf h VAL 68 Cb 0.33 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1myf h VAL 68 CO -0.45 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.58 1myf h LEU 69 N -1.02 0.86 -0.88 2.57 3.38 -0.75 -0.79 115.31 118.68 1myf h LEU 69 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1myf h LEU 69 Cb 0.69 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1myf h LEU 69 CO 0.15 0.60 0.56 0.74 0.09 0.00 0.00 178.44 180.58 1myf h THR 70 N 1.01 1.24 0.32 0.22 2.02 -0.45 0.56 112.91 117.82 1myf h THR 70 Ca 0.31 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1myf h THR 70 Cb -0.03 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 1myf h THR 70 CO -0.10 0.24 -0.15 0.00 0.37 0.00 0.00 175.52 175.88 1myf h ALA 71 N 1.30 -0.42 -0.79 6.16 0.00 -0.27 0.13 119.26 125.37 1myf h ALA 71 Ca 0.32 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1myf h ALA 71 Cb -0.09 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1myf h ALA 71 CO -0.06 -0.68 0.52 1.25 0.00 0.00 0.00 179.25 180.27 1myf h LEU 72 N -0.54 0.69 0.17 0.00 5.85 -0.87 -1.84 115.31 118.76 1myf h LEU 72 Ca -0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1myf h LEU 72 Cb 0.40 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1myf h LEU 72 CO 0.07 0.43 -0.08 1.23 -0.34 0.00 0.00 178.44 179.75 1myf h GLY 73 N 0.77 -0.24 0.68 3.75 0.00 0.42 0.98 103.07 109.43 1myf h GLY 73 Ca 0.35 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.83 1myf h GLY 73 CO -0.13 -0.09 0.34 0.00 0.00 0.00 0.00 176.54 176.66 1myf h ALA 74 N 0.57 0.83 0.34 3.60 0.00 -0.53 0.27 119.26 124.33 1myf h ALA 74 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1myf h ALA 74 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1myf h ALA 74 CO 0.04 0.00 -0.38 0.82 0.00 0.00 0.00 179.25 179.73 1myf h ILE 75 N 0.63 0.23 -0.46 0.00 2.04 -0.97 -0.57 117.51 118.41 1myf h ILE 75 Ca 0.28 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 1myf h ILE 75 Cb 0.18 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1myf h ILE 75 CO -0.18 0.00 0.16 -0.07 0.00 0.00 0.00 178.15 178.06 1myf h LEU 76 N -0.75 0.17 -1.48 1.44 3.38 -0.41 -2.27 115.31 115.38 1myf h LEU 76 Ca -0.02 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1myf h LEU 76 Cb 0.69 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1myf h LEU 76 CO -0.08 0.13 0.38 0.11 0.09 0.00 0.00 178.44 179.06 1myf h LYS 77 N 0.34 0.66 0.00 1.13 1.57 -0.06 0.21 116.57 120.41 1myf h LYS 77 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1myf h LYS 77 Cb 0.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1myf h LYS 77 CO -0.22 0.44 0.00 1.63 -0.57 0.00 0.00 179.45 180.72 1myf n LYS 78 N -4.46 0.58 -4.26 3.15 4.76 -0.26 -4.89 118.16 112.77 1myf n LYS 78 Ca 0.07 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.14 1myf n LYS 78 Cb 0.13 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 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 -1.01 -2.84 0.00 1.97 5.02 0.06 -1.18 118.16 120.18 1myf n LYS 79 Ca 0.14 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1myf n LYS 79 Cb 0.07 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 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 -1.39 0.50 2.83 0.72 0.00 -1.26 -5.02 105.19 101.57 1myf n GLY 80 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.69 3.80 -1.99 1.61 8.25 -0.33 -4.81 115.22 120.06 1myf n HIS 81 Ca 0.00 -3.81 0.04 0.00 -0.26 0.00 0.00 57.72 53.69 1myf n HIS 81 Cb 0.00 -0.61 0.13 0.00 1.12 0.00 0.00 29.99 30.63 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 -0.03 0.14 -0.08 4.41 1.44 -1.26 -4.87 115.22 114.98 1myf n HIS 82 Ca 0.33 -1.17 -0.07 0.00 -2.01 0.00 0.00 57.72 54.80 1myf n HIS 82 Cb 0.38 -0.22 -0.00 0.00 0.12 0.00 0.00 29.99 30.27 1myf n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1myf h GLU 83 N 1.09 -0.09 -0.70 -1.40 4.81 -1.98 0.11 114.58 116.42 1myf h GLU 83 Ca -0.08 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1myf h GLU 83 Cb 1.37 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.70 1myf h GLU 83 CO 0.07 -0.06 0.33 0.00 -0.73 0.00 0.00 179.01 178.62 1myf h ALA 84 N 1.14 0.96 -0.04 2.92 0.00 -2.01 0.52 119.26 122.74 1myf h ALA 84 Ca 0.16 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1myf h ALA 84 Cb 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1myf h ALA 84 CO -0.36 -0.09 -0.43 0.93 0.00 0.00 0.00 179.25 179.29 1myf h GLU 85 N 0.55 0.37 -0.04 0.00 3.07 -1.84 -3.36 114.58 113.32 1myf h GLU 85 Ca 0.35 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1myf h GLU 85 Cb 0.40 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1myf h GLU 85 CO -0.29 1.00 0.00 1.25 -1.40 0.00 0.00 179.01 179.57 1myf h LEU 86 N -0.15 0.07 -0.58 1.33 6.46 -0.53 -3.31 115.31 118.60 1myf h LEU 86 Ca -0.04 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 57.52 1myf h LEU 86 Cb 1.11 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 40.92 1myf h LEU 86 CO 0.09 0.34 -0.43 0.50 -0.62 0.00 0.00 178.44 178.31 1myf h LYS 87 N -0.20 -0.22 0.00 1.25 3.64 -1.05 0.13 116.57 120.13 1myf h LYS 87 Ca 0.01 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1myf h LYS 87 Cb 0.30 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1myf h LYS 87 CO 0.00 -0.14 -0.13 -1.00 -2.27 0.00 0.00 179.45 175.91 1myf h PRO 88 N -0.22 0.00 -0.08 1.90 0.13 -1.75 0.17 132.00 132.15 1myf h PRO 88 Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 1myf h PRO 88 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1myf h PRO 88 CO -0.69 0.13 -0.20 1.25 -0.23 0.00 0.00 178.00 178.26 1myf h LEU 89 N 0.00 0.31 -0.31 1.56 6.46 -1.08 0.15 115.31 122.40 1myf h LEU 89 Ca -0.00 -0.59 0.04 0.00 -0.12 0.00 0.00 57.88 57.21 1myf h LEU 89 Cb 0.24 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 1myf h LEU 89 CO 0.02 0.84 0.09 0.00 -0.62 0.00 0.00 178.44 178.77 1myf h ALA 90 N 0.48 0.34 -0.27 1.25 0.00 -0.56 -1.08 119.26 119.42 1myf h ALA 90 Ca -0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1myf h ALA 90 Cb 0.80 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1myf h ALA 90 CO 0.04 -0.32 -0.09 0.37 0.00 0.00 0.00 179.25 179.26 1myf h GLN 91 N 0.21 -0.03 0.72 0.00 4.15 -0.58 0.32 115.11 119.91 1myf h GLN 91 Ca 0.14 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 1myf h GLN 91 Cb 0.13 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.84 1myf h GLN 91 CO -0.17 -0.02 -0.35 0.66 -1.93 0.00 0.00 178.83 177.03 1myf h SER 92 N -0.03 -0.82 -0.43 -0.69 4.64 -0.63 0.35 113.55 115.94 1myf h SER 92 Ca 0.14 0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.60 1myf h SER 92 Cb 0.23 0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1myf h SER 92 CO -0.30 -0.57 0.42 0.45 -0.87 0.00 0.00 176.83 175.96 1myf h HIS 93 N -0.99 0.00 0.00 4.77 3.86 -0.83 0.11 115.15 122.06 1myf h HIS 93 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1myf h HIS 93 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1myf h HIS 93 CO -0.02 0.00 -0.43 0.00 0.86 0.00 0.00 177.93 178.34 1myf n ALA 94 N -2.41 0.38 0.06 2.45 0.00 0.11 -0.67 120.51 120.44 1myf n ALA 94 Ca 0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 1myf n ALA 94 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.66 1.41 0.00 0.00 1.35 -0.31 -2.81 112.91 111.89 1myf h THR 95 Ca 0.00 -2.35 -0.07 0.00 -0.55 0.00 0.00 66.41 63.44 1myf h THR 95 Cb 0.43 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 1myf h THR 95 CO 0.00 0.70 -0.94 1.17 -0.25 0.00 0.00 175.52 176.20 1myf n LYS 96 N -3.77 0.50 0.06 4.72 3.00 -0.03 -4.68 118.16 117.95 1myf n LYS 96 Ca -0.05 0.41 -0.11 0.00 -0.00 0.00 0.00 58.31 58.55 1myf n LYS 96 Cb 0.77 -1.60 -0.13 0.00 0.00 0.00 0.00 35.03 34.08 1myf n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1myf h HIS 97 N -1.00 0.21 -5.69 5.64 3.86 -1.05 -3.49 115.15 113.63 1myf h HIS 97 Ca -0.10 -0.15 -0.32 0.00 -1.16 0.00 0.00 60.37 58.64 1myf h HIS 97 Cb 0.86 -0.01 0.16 0.00 1.06 0.00 0.00 27.41 29.48 1myf h HIS 97 CO -0.24 1.15 -0.84 1.63 0.86 0.00 0.00 177.93 180.49 1myf n LYS 98 N -3.36 -3.61 -3.43 2.45 5.02 -0.42 -4.96 118.16 109.85 1myf n LYS 98 Ca -0.08 0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 56.60 1myf n LYS 98 Cb 1.00 -5.54 -0.08 0.00 -0.02 0.00 0.00 35.03 30.39 1myf n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1myf s ILE 99 N -3.43 5.22 0.34 -0.18 1.01 0.15 -5.01 121.20 119.30 1myf s ILE 99 Ca 0.28 0.58 -0.28 0.00 0.00 0.00 0.00 60.65 61.24 1myf s ILE 99 Cb -0.05 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 1myf s ILE 99 CO 0.76 0.24 1.20 -2.16 0.00 0.00 0.00 174.94 174.98 1myf s PRO 100 N 1.48 4.34 0.62 2.79 0.04 -1.26 -4.83 135.00 138.18 1myf s PRO 100 Ca 0.16 1.96 0.35 0.00 0.04 0.00 0.00 61.00 63.51 1myf s PRO 100 Cb -0.15 -2.97 2.01 0.00 0.04 0.00 0.00 34.50 33.43 1myf s PRO 100 CO 0.08 -0.11 2.25 0.82 0.04 0.00 0.00 177.00 180.08 1myf h ILE 101 N 2.81 0.29 -0.92 0.56 2.04 -1.98 0.89 117.51 121.20 1myf h ILE 101 Ca -0.48 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.54 1myf h ILE 101 Cb 1.22 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 1myf h ILE 101 CO 0.65 0.00 0.59 0.11 0.00 0.00 0.00 178.15 179.50 1myf h LYS 102 N 0.00 0.66 -0.43 2.37 1.57 -1.99 0.22 116.57 118.98 1myf h LYS 102 Ca 0.02 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1myf h LYS 102 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1myf h LYS 102 CO -0.00 0.44 -0.20 1.88 -0.57 0.00 0.00 179.45 181.00 1myf h TYR 103 N 0.68 0.95 -0.33 -1.35 0.05 -1.18 0.95 116.97 116.74 1myf h TYR 103 Ca 0.48 -0.21 -0.05 0.00 0.05 0.00 0.00 58.73 58.99 1myf h TYR 103 Cb 0.80 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1myf h TYR 103 CO -0.00 0.96 -0.00 -0.07 -1.05 0.00 0.00 178.16 178.00 1myf h LEU 104 N 0.74 0.48 -0.96 3.88 3.38 -0.81 0.15 115.31 122.17 1myf h LEU 104 Ca 0.11 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1myf h LEU 104 Cb 0.72 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1myf h LEU 104 CO 0.06 0.55 -0.04 -0.08 0.09 0.00 0.00 178.44 179.01 1myf h GLU 105 N 0.49 0.71 -0.52 1.13 4.81 0.05 0.18 114.58 121.43 1myf h GLU 105 Ca 0.11 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1myf h GLU 105 Cb 0.32 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1myf h GLU 105 CO 0.01 0.75 0.11 0.74 -0.73 0.00 0.00 179.01 179.90 1myf h PHE 106 N 0.66 0.89 0.00 0.92 0.04 0.11 0.36 116.94 119.92 1myf h PHE 106 Ca 0.13 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 1myf h PHE 106 Cb 0.47 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1myf h PHE 106 CO 0.02 0.79 -0.42 0.97 -0.60 0.00 0.00 178.31 179.07 1myf h ILE 107 N 0.74 1.27 0.15 -0.55 2.10 -0.35 0.89 117.51 121.76 1myf h ILE 107 Ca 0.16 -1.45 -0.01 0.00 1.08 0.00 0.00 64.86 64.65 1myf h ILE 107 Cb 0.36 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 1myf h ILE 107 CO 0.00 0.41 -0.07 -1.28 -1.08 0.00 0.00 178.15 176.13 1myf h SER 108 N 0.00 -0.17 -0.54 2.19 0.87 -0.35 0.12 113.55 115.66 1myf h SER 108 Ca -0.00 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1myf h SER 108 Cb 0.75 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 1myf h SER 108 CO 0.05 -0.09 0.18 -0.08 -0.53 0.00 0.00 176.83 176.37 1myf h GLU 109 N -0.24 0.34 0.33 2.24 4.22 -0.59 0.30 114.58 121.18 1myf h GLU 109 Ca -0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 1myf h GLU 109 Cb 0.19 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1myf h GLU 109 CO 0.03 0.23 -0.28 0.00 -2.18 0.00 0.00 179.01 176.81 1myf h ALA 110 N 1.38 -0.62 -0.29 2.92 0.00 -0.52 0.16 119.26 122.29 1myf h ALA 110 Ca 0.27 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1myf h ALA 110 Cb 0.32 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1myf h ALA 110 CO -0.29 -0.88 -0.20 0.82 0.00 0.00 0.00 179.25 178.71 1myf h ILE 111 N -0.62 0.45 -0.37 0.00 2.04 -0.32 0.15 117.51 118.84 1myf h ILE 111 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1myf h ILE 111 Cb 0.55 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1myf h ILE 111 CO -0.03 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.68 1myf h ILE 112 N -0.17 0.94 0.05 -0.67 2.04 -0.70 -0.37 117.51 118.62 1myf h ILE 112 Ca 0.15 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1myf h ILE 112 Cb 0.41 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1myf h ILE 112 CO -0.40 0.06 -0.02 -0.74 0.00 0.00 0.00 178.15 177.05 1myf h HIS 113 N 0.33 -0.06 -0.48 1.37 2.76 0.52 -2.07 115.15 117.53 1myf h HIS 113 Ca 0.16 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1myf h HIS 113 Cb 0.10 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1myf h HIS 113 CO -0.12 -0.03 0.29 0.28 -1.30 0.00 0.00 177.93 177.05 1myf h VAL 114 N -0.07 1.06 0.07 5.26 2.07 -0.31 -0.04 116.25 124.29 1myf h VAL 114 Ca -0.01 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1myf h VAL 114 Cb 0.05 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1myf h VAL 114 CO 0.01 0.11 -0.25 -0.07 0.02 0.00 0.00 177.57 177.38 1myf h LEU 115 N 0.58 -0.73 -0.33 2.57 3.38 -0.93 0.12 115.31 119.97 1myf h LEU 115 Ca 0.19 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1myf h LEU 115 Cb -0.00 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1myf h LEU 115 CO -0.08 -0.34 -0.18 0.45 0.09 0.00 0.00 178.44 178.38 1myf h HIS 116 N -0.43 -0.46 0.28 1.13 3.86 -0.91 0.22 115.15 118.83 1myf h HIS 116 Ca 0.04 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1myf h HIS 116 Cb 0.48 0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 1myf h HIS 116 CO -0.26 -0.26 -0.17 0.77 0.86 0.00 0.00 177.93 178.88 1myf h SER 117 N -0.14 -0.41 0.84 2.45 0.02 -0.39 -2.76 113.55 113.16 1myf h SER 117 Ca 0.17 0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.91 1myf h SER 117 Cb 0.40 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1myf h SER 117 CO -0.41 -0.27 -1.11 0.03 -1.14 0.00 0.00 176.83 173.93 1myf h ARG 118 N -0.42 0.11 -2.13 3.45 3.08 -0.70 -3.40 114.38 114.36 1myf h ARG 118 Ca -0.03 -0.18 -0.55 0.00 0.07 0.00 0.00 59.98 59.29 1myf h ARG 118 Cb 0.35 0.07 -0.41 0.00 0.08 0.00 0.00 29.97 30.06 1myf h ARG 118 CO 0.03 1.08 -0.91 0.72 -1.07 0.00 0.00 179.97 179.82 1myf n HIS 119 N -3.42 1.92 0.14 3.04 8.25 0.75 -4.94 115.22 120.95 1myf n HIS 119 Ca -0.04 -3.89 -0.14 0.00 -0.26 0.00 0.00 57.72 53.39 1myf n HIS 119 Cb 0.98 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 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 3.28 -0.29 -2.10 -0.41 0.13 -1.64 0.77 132.00 131.74 1myf h PRO 120 Ca 0.12 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1myf h PRO 120 Cb 0.75 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 1myf h PRO 120 CO 0.65 -0.10 -0.11 0.41 -0.23 0.00 0.00 178.00 178.62 1myf n GLY 121 N -0.87 2.36 1.37 1.56 0.00 -1.26 -3.17 105.19 105.18 1myf n GLY 121 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 2.11 0.00 -3.82 1.61 2.03 -1.17 -4.99 116.55 112.32 1myf n ASP 122 Ca 0.18 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.06 1myf n ASP 122 Cb 0.57 0.34 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 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 -2.28 3.15 -1.94 -0.67 7.35 0.26 -4.86 117.46 118.47 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 -2.16 0.14 0.00 0.35 0.00 0.00 39.48 37.81 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 1.69 1.70 0.27 7.13 0.00 -1.26 -4.72 107.32 112.13 1myf s GLY 124 Ca 0.42 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1myf s GLY 124 CO -0.03 -0.33 1.72 0.00 0.00 0.00 0.00 173.10 174.47 1myf h ALA 125 N -1.34 1.30 -0.56 3.20 0.00 -1.97 0.99 119.26 120.88 1myf h ALA 125 Ca -0.45 0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1myf h ALA 125 Cb 1.28 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1myf h ALA 125 CO 0.51 -0.23 0.30 -0.44 0.00 0.00 0.00 179.25 179.39 1myf h ASP 126 N 0.48 0.44 0.20 0.00 5.19 -1.97 0.44 116.42 121.21 1myf h ASP 126 Ca 0.50 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.92 1myf h ASP 126 Cb 0.83 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1myf h ASP 126 CO -0.45 0.30 -0.10 0.00 -3.12 0.00 0.00 179.24 175.87 1myf h ALA 127 N 1.29 -0.27 -0.81 3.45 0.00 -1.24 -1.43 119.26 120.24 1myf h ALA 127 Ca 0.24 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1myf h ALA 127 Cb 0.13 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.88 1myf h ALA 127 CO -0.16 -0.53 -0.30 0.37 0.00 0.00 0.00 179.25 178.63 1myf h GLN 128 N -0.51 -0.05 0.38 0.00 4.15 -0.35 0.27 115.11 119.00 1myf h GLN 128 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1myf h GLN 128 Cb 0.39 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1myf h GLN 128 CO 0.05 -0.03 -0.18 0.78 -1.93 0.00 0.00 178.83 177.51 1myf h GLY 129 N -0.05 -0.53 0.84 2.39 0.00 -0.83 0.11 103.07 105.00 1myf h GLY 129 Ca 0.34 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.89 1myf h GLY 129 CO -0.85 -0.19 0.14 0.00 0.00 0.00 0.00 176.54 175.64 1myf h ALA 130 N 0.10 0.37 0.22 3.60 0.00 -0.07 0.56 119.26 124.03 1myf h ALA 130 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1myf h ALA 130 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1myf h ALA 130 CO 0.09 -0.24 -0.13 1.98 0.00 0.00 0.00 179.25 180.95 1myf h MET 131 N 0.31 -0.32 -0.66 0.00 -1.53 -0.49 0.09 114.93 112.32 1myf h MET 131 Ca 0.13 0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.48 1myf h MET 131 Cb 0.05 0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 31.12 1myf h MET 131 CO -0.09 -0.21 0.35 -0.97 0.14 0.00 0.00 176.91 176.13 1myf h ASN 132 N -0.33 0.51 -0.19 1.39 -1.24 -0.56 0.98 115.58 116.14 1myf h ASN 132 Ca -0.02 0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.05 1myf h ASN 132 Cb 0.27 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 1myf h ASN 132 CO 0.03 0.32 0.02 0.11 -1.29 0.00 0.00 177.43 176.61 1myf h LYS 133 N 0.64 0.08 -0.45 6.67 1.57 -0.61 0.20 116.57 124.67 1myf h LYS 133 Ca 0.31 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1myf h LYS 133 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1myf h LYS 133 CO -0.20 0.05 0.21 0.00 -0.57 0.00 0.00 179.45 178.94 1myf h ALA 134 N 1.15 0.56 -0.62 3.86 0.00 -0.01 0.21 119.26 124.41 1myf h ALA 134 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1myf h ALA 134 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1myf h ALA 134 CO -0.13 -0.16 0.23 -0.07 0.00 0.00 0.00 179.25 179.11 1myf h LEU 135 N 0.41 0.88 -0.46 0.00 3.38 -0.54 -0.48 115.31 118.50 1myf h LEU 135 Ca 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1myf h LEU 135 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1myf h LEU 135 CO -0.16 0.83 0.23 -0.33 0.09 0.00 0.00 178.44 179.10 1myf h GLU 136 N 0.88 0.65 -0.31 1.13 5.08 0.11 0.11 114.58 122.22 1myf h GLU 136 Ca 0.20 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1myf h GLU 136 Cb 0.24 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1myf h GLU 136 CO -0.01 0.53 0.04 1.25 -1.00 0.00 0.00 179.01 179.82 1myf h LEU 137 N 0.59 -0.03 0.45 1.33 5.85 -0.34 0.17 115.31 123.33 1myf h LEU 137 Ca 0.16 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1myf h LEU 137 Cb 0.09 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1myf h LEU 137 CO -0.02 0.02 -0.44 0.15 -0.34 0.00 0.00 178.44 177.81 1myf h PHE 138 N 0.15 -1.21 -0.59 1.25 3.57 -0.17 0.16 116.94 120.10 1myf h PHE 138 Ca 0.15 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.77 1myf h PHE 138 Cb 0.17 0.47 -0.09 0.00 2.79 0.00 0.00 35.95 39.30 1myf h PHE 138 CO -0.19 -0.60 0.10 0.00 -2.23 0.00 0.00 178.31 175.38 1myf h ARG 139 N -0.90 0.22 -0.19 1.11 3.08 -0.51 -0.54 114.38 116.65 1myf h ARG 139 Ca -0.04 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1myf h ARG 139 Cb 0.79 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1myf h ARG 139 CO -0.06 0.14 -0.32 0.87 -1.07 0.00 0.00 179.97 179.53 1myf h LYS 140 N 0.22 0.39 -0.08 0.04 1.79 -0.16 0.28 116.57 119.05 1myf h LYS 140 Ca 0.31 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1myf h LYS 140 Cb 0.47 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1myf h LYS 140 CO -0.42 0.67 -0.03 0.22 -1.08 0.00 0.00 179.45 178.81 1myf h ASP 141 N 0.34 0.17 -0.87 0.86 1.82 0.39 -0.46 116.42 118.68 1myf h ASP 141 Ca 0.04 -0.40 0.04 0.00 -0.39 0.00 0.00 57.03 56.33 1myf h ASP 141 Cb 0.74 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.65 1myf h ASP 141 CO 0.06 0.53 0.57 0.40 -1.61 0.00 0.00 179.24 179.19 1myf h ILE 142 N -0.18 1.13 -0.34 2.25 2.04 -0.95 -0.84 117.51 120.61 1myf h ILE 142 Ca 0.02 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1myf h ILE 142 Cb 0.46 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1myf h ILE 142 CO 0.01 0.19 0.21 0.00 0.00 0.00 0.00 178.15 178.57 1myf h ALA 143 N 1.50 0.43 -0.74 1.87 0.00 0.01 0.31 119.26 122.64 1myf h ALA 143 Ca 0.35 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1myf h ALA 143 Cb 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1myf h ALA 143 CO -0.11 -0.13 0.47 0.00 0.00 0.00 0.00 179.25 179.48 1myf h ALA 144 N 1.14 0.97 -0.45 0.00 0.00 -0.00 0.28 119.26 121.20 1myf h ALA 144 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1myf h ALA 144 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1myf h ALA 144 CO -0.05 0.25 0.19 0.87 0.00 0.00 0.00 179.25 180.52 1myf h LYS 145 N 0.91 0.67 -0.10 0.00 6.56 -0.31 -1.30 116.57 123.00 1myf h LYS 145 Ca 0.30 -0.11 0.03 0.00 -1.06 0.00 0.00 60.65 59.80 1myf h LYS 145 Cb 0.02 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.54 1myf h LYS 145 CO -0.11 0.60 -0.06 1.88 -2.06 0.00 0.00 179.45 179.69 1myf h TYR 146 N 0.59 -0.14 -0.65 -1.35 -1.99 0.14 0.17 116.97 113.75 1myf h TYR 146 Ca 0.15 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.93 1myf h TYR 146 Cb 0.17 0.08 -0.05 0.00 2.00 0.00 0.00 36.73 38.93 1myf h TYR 146 CO -0.00 -0.10 0.39 0.87 -0.00 0.00 0.00 178.16 179.32 1myf h LYS 147 N -0.06 0.72 -0.27 4.88 1.57 -0.83 0.35 116.57 122.92 1myf h LYS 147 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1myf h LYS 147 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1myf h LYS 147 CO -0.14 0.48 0.15 1.49 -0.57 0.00 0.00 179.45 180.86 1myf h GLU 148 N 0.74 0.38 -0.41 3.15 4.22 -0.36 -3.10 114.58 119.20 1myf h GLU 148 Ca 0.27 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.54 1myf h GLU 148 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1myf h GLU 148 CO -0.13 0.34 -0.23 -0.07 -2.18 0.00 0.00 179.01 176.74 1myf h LEU 149 N 0.33 0.85 0.00 1.64 3.38 -0.18 -3.48 115.31 117.85 1myf h LEU 149 Ca 0.10 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1myf h LEU 149 Cb 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1myf h LEU 149 CO -0.02 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1myf n GLY 150 N -0.20 0.92 3.00 0.83 0.00 0.89 -5.09 105.19 105.55 1myf n GLY 150 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.32 0.90 0.00 1.61 1.51 0.60 -4.91 117.35 116.75 1myf s TYR 151 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1myf s TYR 151 Cb 0.00 -0.63 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 1myf s TYR 151 CO 0.00 -0.08 0.00 1.04 -1.11 0.00 0.00 175.55 175.40 1myf n GLN 152 N 3.19 0.00 0.00 -0.62 6.02 -1.26 -3.07 117.38 121.64 1myf n GLN 152 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1myf n GLN 152 Cb 0.55 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.81 1myf n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46