#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 2.82 0.97 7.52 1.02 -1.26 -5.10 118.68 124.65 1myf s LEU 2 Ca 0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 54.13 53.78 1myf s LEU 2 Cb 0.00 -1.61 0.20 0.00 0.02 0.00 0.00 46.19 44.80 1myf s LEU 2 CO 0.00 0.28 1.30 -0.55 0.02 0.00 0.00 176.35 177.39 1myf s SER 3 N -0.31 3.07 0.36 2.29 0.15 -1.26 -4.80 113.70 113.21 1myf s SER 3 Ca 0.03 0.34 0.04 0.00 0.70 0.00 0.00 55.95 57.06 1myf s SER 3 Cb -0.13 -0.43 0.69 0.00 -1.71 0.00 0.00 66.02 64.44 1myf s SER 3 CO 0.03 -2.77 1.99 -0.33 1.20 0.00 0.00 173.24 173.36 1myf h GLU 4 N -1.66 0.68 0.33 5.44 4.39 -2.00 -1.66 114.58 120.10 1myf h GLU 4 Ca -0.45 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 1myf h GLU 4 Cb 1.25 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1myf h GLU 4 CO 0.40 0.50 -0.27 0.78 -1.16 0.00 0.00 179.01 179.26 1myf h GLY 5 N 0.76 -0.64 0.91 -3.84 0.00 -1.99 0.84 103.07 99.11 1myf h GLY 5 Ca 0.18 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.82 1myf h GLY 5 CO -0.03 -0.25 0.16 0.83 0.00 0.00 0.00 176.54 177.25 1myf h GLU 6 N -0.61 0.31 -0.43 4.80 3.07 -1.87 0.09 114.58 119.95 1myf h GLU 6 Ca -0.02 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1myf h GLU 6 Cb 0.53 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1myf h GLU 6 CO -0.02 0.21 0.28 -1.49 -1.40 0.00 0.00 179.01 176.59 1myf h TRP 7 N 0.32 0.53 -0.35 4.33 -0.00 -1.18 -0.29 115.95 119.31 1myf h TRP 7 Ca 0.11 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1myf h TRP 7 Cb 0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 28.98 1myf h TRP 7 CO -0.08 0.33 0.23 1.96 -0.00 0.00 0.00 178.44 180.87 1myf h GLN 8 N 0.57 0.46 0.22 0.49 4.20 -0.39 0.97 115.11 121.62 1myf h GLN 8 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1myf h GLN 8 Cb -0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1myf h GLN 8 CO -0.04 0.30 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.12 1myf h LEU 9 N 0.47 -0.62 0.32 1.46 3.38 -0.79 0.21 115.31 119.74 1myf h LEU 9 Ca 0.13 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1myf h LEU 9 Cb -0.05 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1myf h LEU 9 CO -0.03 -0.34 -0.43 0.58 0.09 0.00 0.00 178.44 178.32 1myf h VAL 10 N -0.49 0.15 -0.57 1.22 2.07 -0.76 -1.19 116.25 116.68 1myf h VAL 10 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1myf h VAL 10 Cb 0.46 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1myf h VAL 10 CO -0.06 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.84 1myf h LEU 11 N -0.79 0.62 0.14 2.57 3.38 -0.75 0.26 115.31 120.74 1myf h LEU 11 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1myf h LEU 11 Cb 0.74 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1myf h LEU 11 CO -0.13 0.44 -0.11 -0.74 0.09 0.00 0.00 178.44 177.99 1myf h HIS 12 N 0.73 -0.29 -0.67 1.13 2.76 0.20 0.14 115.15 119.14 1myf h HIS 12 Ca 0.22 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 1myf h HIS 12 Cb -0.02 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 1myf h HIS 12 CO -0.00 -0.18 0.13 0.28 -1.30 0.00 0.00 177.93 176.86 1myf h VAL 13 N -0.26 1.26 -0.35 5.26 2.07 -0.57 -3.01 116.25 120.64 1myf h VAL 13 Ca -0.00 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1myf h VAL 13 Cb 0.24 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1myf h VAL 13 CO -0.02 0.38 0.05 -0.25 0.02 0.00 0.00 177.57 177.75 1myf h TRP 14 N 1.03 0.54 -0.86 1.57 2.91 -0.13 0.16 115.95 121.18 1myf h TRP 14 Ca 0.21 -0.04 0.22 0.00 1.13 0.00 0.00 58.89 60.41 1myf h TRP 14 Cb 0.41 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.85 1myf h TRP 14 CO 0.03 0.50 0.59 0.00 -1.03 0.00 0.00 178.44 178.53 1myf h ALA 15 N 1.54 2.50 -0.33 2.65 0.00 -0.59 0.20 119.26 125.23 1myf h ALA 15 Ca 0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1myf h ALA 15 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1myf h ALA 15 CO 0.00 -0.76 -0.41 0.87 0.00 0.00 0.00 179.25 178.96 1myf h LYS 16 N 0.20 0.81 0.60 0.00 1.57 -0.78 0.13 116.57 119.11 1myf h LYS 16 Ca 0.43 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1myf h LYS 16 Cb 1.37 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1myf h LYS 16 CO -0.09 1.07 -0.31 0.28 -0.57 0.00 0.00 179.45 179.83 1myf h VAL 17 N 0.66 0.36 -0.88 0.50 2.07 -0.88 -2.63 116.25 115.45 1myf h VAL 17 Ca 0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.74 1myf h VAL 17 Cb 0.98 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1myf h VAL 17 CO 0.09 0.00 0.58 -0.08 0.02 0.00 0.00 177.57 178.18 1myf h GLU 18 N -0.84 0.51 0.00 1.57 4.57 -0.49 0.19 114.58 120.09 1myf h GLU 18 Ca -0.08 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1myf h GLU 18 Cb 0.66 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1myf h GLU 18 CO 0.12 0.34 -0.04 0.00 -1.18 0.00 0.00 179.01 178.24 1myf h ALA 19 N 1.61 1.92 -1.68 2.92 0.00 -0.35 -3.30 119.26 120.38 1myf h ALA 19 Ca 0.46 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.84 1myf h ALA 19 Cb 0.96 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.39 1myf h ALA 19 CO -0.19 0.06 -1.04 -3.47 0.00 0.00 0.00 179.25 174.61 1myf n ASP 20 N -4.48 -0.08 -0.04 0.00 2.03 0.49 -4.99 116.55 109.47 1myf n ASP 20 Ca -0.03 -2.91 -0.09 0.00 0.52 0.00 0.00 54.79 52.28 1myf n ASP 20 Cb 0.13 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.27 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 1.85 0.33 -0.68 5.18 2.07 -1.14 -0.77 116.25 123.09 1myf h VAL 21 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1myf h VAL 21 Cb 0.94 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1myf h VAL 21 CO 0.44 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.47 1myf h ALA 22 N 0.66 0.88 0.37 1.67 0.00 -1.86 0.23 119.26 121.22 1myf h ALA 22 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1myf h ALA 22 Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1myf h ALA 22 CO -0.39 0.25 -0.18 0.78 0.00 0.00 0.00 179.25 179.71 1myf h GLY 23 N 0.89 -0.52 0.93 0.00 0.00 -1.72 0.18 103.07 102.82 1myf h GLY 23 Ca 0.26 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1myf h GLY 23 CO -0.08 -0.19 -0.16 0.45 0.00 0.00 0.00 176.54 176.57 1myf h HIS 24 N -0.72 -0.41 -0.49 5.60 3.86 -1.09 -0.84 115.15 121.07 1myf h HIS 24 Ca -0.05 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.25 1myf h HIS 24 Cb 0.50 0.14 -0.08 0.00 1.06 0.00 0.00 27.41 29.03 1myf h HIS 24 CO 0.00 -0.25 0.01 0.78 0.86 0.00 0.00 177.93 179.34 1myf h GLY 25 N -0.40 0.51 0.78 2.45 0.00 -0.49 0.22 103.07 106.14 1myf h GLY 25 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1myf h GLY 25 CO 0.03 -0.13 -0.38 -1.61 0.00 0.00 0.00 176.54 174.45 1myf h GLN 26 N 0.13 -1.01 -0.82 4.80 4.15 -0.37 -1.41 115.11 120.58 1myf h GLN 26 Ca 0.24 0.07 0.20 0.00 0.77 0.00 0.00 58.65 59.93 1myf h GLN 26 Cb 0.36 0.23 -0.14 0.00 0.21 0.00 0.00 27.48 28.14 1myf h GLN 26 CO -0.40 -0.67 0.04 -0.44 -1.93 0.00 0.00 178.83 175.43 1myf h ASP 27 N -1.10 -0.32 -0.05 -0.69 3.32 -0.70 0.19 116.42 117.06 1myf h ASP 27 Ca -0.11 0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1myf h ASP 27 Cb 0.80 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1myf h ASP 27 CO 0.18 -0.20 -0.01 0.40 -1.72 0.00 0.00 179.24 177.88 1myf h ILE 28 N 0.11 0.95 -0.22 0.35 2.04 -0.38 0.20 117.51 120.56 1myf h ILE 28 Ca 0.46 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.30 1myf h ILE 28 Cb 0.86 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1myf h ILE 28 CO -0.71 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 177.40 1myf h LEU 29 N 0.00 0.35 -0.64 1.44 3.38 0.10 0.31 115.31 120.26 1myf h LEU 29 Ca 0.03 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1myf h LEU 29 Cb 0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1myf h LEU 29 CO -0.05 0.53 0.36 0.40 0.09 0.00 0.00 178.44 179.76 1myf h ILE 30 N 0.16 0.98 0.06 1.22 2.04 -0.45 0.11 117.51 121.64 1myf h ILE 30 Ca 0.07 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1myf h ILE 30 Cb 0.33 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1myf h ILE 30 CO 0.01 0.12 -0.03 0.03 0.00 0.00 0.00 178.15 178.28 1myf h ARG 31 N 0.67 -0.08 -0.22 2.37 2.47 -0.41 0.78 114.38 119.95 1myf h ARG 31 Ca 0.28 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 59.06 1myf h ARG 31 Cb 0.15 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.43 1myf h ARG 31 CO -0.17 0.14 -0.16 1.25 0.56 0.00 0.00 179.97 181.59 1myf h LEU 32 N -0.29 -0.52 0.24 3.04 5.85 -0.52 0.60 115.31 123.72 1myf h LEU 32 Ca -0.01 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1myf h LEU 32 Cb 0.26 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1myf h LEU 32 CO 0.01 -0.20 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.54 1myf h PHE 33 N -0.15 -0.30 -0.23 1.25 0.04 -0.70 0.19 116.94 117.04 1myf h PHE 33 Ca 0.13 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.90 1myf h PHE 33 Cb 0.35 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1myf h PHE 33 CO -0.32 -0.14 0.12 -0.22 -0.60 0.00 0.00 178.31 177.16 1myf h LYS 34 N -0.38 0.25 -0.34 1.51 3.64 -0.54 -2.35 116.57 118.36 1myf h LYS 34 Ca -0.03 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1myf h LYS 34 Cb 0.29 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1myf h LYS 34 CO 0.05 0.17 -0.43 0.77 -2.27 0.00 0.00 179.45 177.74 1myf h SER 35 N 0.26 0.95 -2.68 4.20 0.02 -0.89 -3.40 113.55 112.00 1myf h SER 35 Ca 0.09 -0.45 -0.60 0.00 -0.84 0.00 0.00 61.79 59.99 1myf h SER 35 Cb 0.01 -0.27 -0.39 0.00 0.14 0.00 0.00 62.40 61.89 1myf h SER 35 CO -0.06 1.24 -0.83 -1.00 -1.14 0.00 0.00 176.83 175.04 1myf s HIS 36 N -4.31 1.86 0.47 3.45 3.76 0.67 -4.98 115.29 116.21 1myf s HIS 36 Ca -0.10 -2.59 0.27 0.00 -0.15 0.00 0.00 55.06 52.48 1myf s HIS 36 Cb 0.11 -1.51 1.31 0.00 1.11 0.00 0.00 32.58 33.60 1myf s HIS 36 CO 0.88 -0.74 1.79 -1.35 -0.85 0.00 0.00 174.74 174.47 1myf h PRO 37 N 5.73 0.20 -0.63 8.40 0.11 -1.63 -0.23 132.00 143.95 1myf h PRO 37 Ca 0.20 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.48 1myf h PRO 37 Cb 0.87 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1myf h PRO 37 CO 0.47 0.13 0.55 0.93 -0.21 0.00 0.00 178.00 179.88 1myf h GLU 38 N 0.21 0.00 0.20 1.05 3.07 -1.92 0.26 114.58 117.44 1myf h GLU 38 Ca 0.57 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 59.12 1myf h GLU 38 Cb 1.83 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.76 1myf h GLU 38 CO -0.17 0.00 -1.42 1.79 -1.40 0.00 0.00 179.01 177.82 1myf h THR 39 N 0.00 1.33 -0.47 1.13 1.35 -1.36 -3.33 112.91 111.56 1myf h THR 39 Ca 0.30 -2.83 -0.06 0.00 -0.55 0.00 0.00 66.41 63.27 1myf h THR 39 Cb 1.40 2.98 -0.02 0.00 -1.73 0.00 0.00 68.15 70.79 1myf h THR 39 CO -0.00 0.84 0.04 0.25 -0.25 0.00 0.00 175.52 176.40 1myf h LEU 40 N 0.12 0.78 -1.62 3.87 7.12 -1.11 -2.56 115.31 121.91 1myf h LEU 40 Ca -0.22 -0.28 0.37 0.00 0.13 0.00 0.00 57.88 57.87 1myf h LEU 40 Cb 2.09 -0.21 -0.09 0.00 -0.53 0.00 0.00 40.66 41.92 1myf h LEU 40 CO 0.24 0.87 0.85 -0.33 -0.13 0.00 0.00 178.44 179.94 1myf h GLU 41 N 0.67 0.15 0.00 1.25 5.08 -1.21 0.94 114.58 121.45 1myf h GLU 41 Ca 0.14 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1myf h GLU 41 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1myf h GLU 41 CO 0.02 0.10 -0.22 0.87 -1.00 0.00 0.00 179.01 178.78 1myf h LYS 42 N 0.16 0.00 -6.29 2.33 1.79 -1.59 -3.42 116.57 109.55 1myf h LYS 42 Ca 0.68 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.59 1myf h LYS 42 Cb 2.24 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.80 1myf h LYS 42 CO -0.22 0.22 0.92 -0.06 -1.08 0.00 0.00 179.45 179.23 1myf s PHE 43 N -3.82 2.50 0.34 -1.35 0.40 0.32 -4.88 117.98 111.49 1myf s PHE 43 Ca -0.01 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 1myf s PHE 43 Cb 0.11 -4.49 0.67 0.00 0.51 0.00 0.00 43.02 39.82 1myf s PHE 43 CO 0.63 -1.77 1.96 0.22 0.70 0.00 0.00 175.22 176.95 1myf h ASP 44 N 9.72 0.74 0.66 1.36 3.58 -1.85 0.13 116.42 130.76 1myf h ASP 44 Ca -0.27 -0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.91 1myf h ASP 44 Cb 1.06 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1myf h ASP 44 CO 1.21 0.49 -1.23 0.03 -2.88 0.00 0.00 179.24 176.86 1myf h ARG 45 N 0.85 0.25 0.00 0.28 2.47 -1.95 -3.38 114.38 112.89 1myf h ARG 45 Ca 0.32 -0.42 -0.13 0.00 -1.26 0.00 0.00 59.98 58.49 1myf h ARG 45 Cb 0.17 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 1myf h ARG 45 CO -0.10 1.19 -1.80 1.19 0.56 0.00 0.00 179.97 181.01 1myf n PHE 46 N -3.51 0.39 0.10 3.04 3.72 -0.92 -4.34 117.46 115.93 1myf n PHE 46 Ca -0.08 0.12 0.19 0.00 -0.05 0.00 0.00 57.45 57.64 1myf n PHE 46 Cb 1.02 -0.83 0.64 0.00 -0.94 0.00 0.00 39.48 39.36 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 0.00 0.00 -1.08 5.09 -0.94 0.45 116.57 120.09 1myf h LYS 47 Ca -0.17 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.54 1myf h LYS 47 Cb 1.44 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.76 1myf h LYS 47 CO 0.02 0.00 -0.16 1.12 -2.09 0.00 0.00 179.45 178.34 1myf h HIS 48 N 0.00 0.00 -3.34 0.07 2.07 -1.81 -3.43 115.15 108.71 1myf h HIS 48 Ca 0.20 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.19 1myf h HIS 48 Cb 1.46 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.44 1myf h HIS 48 CO 0.00 0.16 0.50 -0.51 -3.07 0.00 0.00 177.93 175.01 1myf s LEU 49 N -6.74 4.40 -0.10 6.12 2.01 0.15 -4.95 118.68 119.57 1myf s LEU 49 Ca 0.00 1.96 -0.15 0.00 0.01 0.00 0.00 54.13 55.95 1myf s LEU 49 Cb 0.10 -3.58 -0.27 0.00 0.01 0.00 0.00 46.19 42.45 1myf s LEU 49 CO 0.61 -0.36 0.57 0.11 1.01 0.00 0.00 176.35 178.29 1myf h LYS 50 N 6.34 0.26 -5.31 1.70 1.57 -1.88 -3.48 116.57 115.76 1myf h LYS 50 Ca -0.42 -0.44 -0.40 0.00 -1.87 0.00 0.00 60.65 57.52 1myf h LYS 50 Cb 1.21 0.16 -0.21 0.00 0.08 0.00 0.00 32.23 33.48 1myf h LYS 50 CO 0.77 1.21 -0.77 -0.08 -0.57 0.00 0.00 179.45 180.01 1myf s THR 51 N -2.49 1.12 0.44 -0.16 -1.32 -1.26 -5.04 115.64 106.94 1myf s THR 51 Ca -0.20 -1.38 0.24 0.00 -1.21 0.00 0.00 61.69 59.14 1myf s THR 51 Cb 0.04 -1.15 0.44 0.00 -1.51 0.00 0.00 72.50 70.33 1myf s THR 51 CO 0.77 -0.28 1.78 -0.33 -2.21 0.00 0.00 174.62 174.35 1myf h GLU 52 N 4.13 0.25 -0.96 7.08 3.07 -1.96 0.72 114.58 126.91 1myf h GLU 52 Ca -0.40 -0.02 0.15 0.00 -0.50 0.00 0.00 59.36 58.59 1myf h GLU 52 Cb 1.19 -0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.95 1myf h GLU 52 CO 0.43 0.17 0.57 0.00 -1.40 0.00 0.00 179.01 178.77 1myf h ALA 53 N 1.56 1.50 -0.10 3.43 0.00 -2.00 0.16 119.26 123.81 1myf h ALA 53 Ca 0.59 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.42 1myf h ALA 53 Cb 1.77 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.46 1myf h ALA 53 CO -0.22 0.04 -0.47 0.93 0.00 0.00 0.00 179.25 179.53 1myf h GLU 54 N 0.81 0.50 -0.74 0.00 5.08 -1.28 -3.19 114.58 115.76 1myf h GLU 54 Ca 0.52 -0.40 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1myf h GLU 54 Cb 0.68 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 1myf h GLU 54 CO -0.33 1.03 0.38 0.52 -1.00 0.00 0.00 179.01 179.61 1myf h MET 55 N 0.09 0.63 -0.47 2.33 2.86 -0.93 0.73 114.93 120.16 1myf h MET 55 Ca -0.03 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1myf h MET 55 Cb 1.12 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1myf h MET 55 CO 0.10 0.42 0.31 -0.22 1.06 0.00 0.00 176.91 178.58 1myf h LYS 56 N 0.65 0.59 -0.00 1.72 3.64 -0.76 0.44 116.57 122.84 1myf h LYS 56 Ca 0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1myf h LYS 56 Cb 0.36 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1myf h LYS 56 CO -0.26 0.39 -0.26 0.00 -2.27 0.00 0.00 179.45 177.05 1myf n ALA 57 N -2.47 3.05 -2.50 5.00 0.00 0.06 -4.73 120.51 118.92 1myf n ALA 57 Ca 0.04 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1myf n ALA 57 Cb 0.08 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.66 6.26 0.46 0.00 0.01 0.15 -4.81 113.70 113.10 1myf s SER 58 Ca 0.21 -1.06 0.12 0.00 1.31 0.00 0.00 55.95 56.53 1myf s SER 58 Cb 0.19 -2.57 1.03 0.00 0.21 0.00 0.00 66.02 64.89 1myf s SER 58 CO 0.56 -1.72 2.07 -0.33 0.41 0.00 0.00 173.24 174.22 1myf h GLU 59 N 10.15 0.21 -0.31 12.44 5.08 -1.85 0.59 114.58 140.90 1myf h GLU 59 Ca 0.05 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1myf h GLU 59 Cb 1.03 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 1myf h GLU 59 CO 1.37 0.19 -0.04 0.38 -1.00 0.00 0.00 179.01 179.91 1myf h ASP 60 N 0.21 -0.22 -0.42 1.42 2.03 -1.95 0.15 116.42 117.64 1myf h ASP 60 Ca 0.05 0.08 -0.02 0.00 -0.73 0.00 0.00 57.03 56.41 1myf h ASP 60 Cb 0.07 0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.72 1myf h ASP 60 CO -0.00 -0.07 0.17 0.25 -1.03 0.00 0.00 179.24 178.55 1myf h LEU 61 N 0.04 0.58 -0.70 0.15 6.46 -1.31 -0.23 115.31 120.31 1myf h LEU 61 Ca 0.15 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1myf h LEU 61 Cb 0.22 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 1myf h LEU 61 CO -0.29 0.59 0.42 0.07 -0.62 0.00 0.00 178.44 178.61 1myf h LYS 62 N 0.54 0.95 -0.51 1.25 2.10 -0.25 0.17 116.57 120.81 1myf h LYS 62 Ca 0.14 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1myf h LYS 62 Cb 0.19 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1myf h LYS 62 CO -0.01 0.67 0.32 0.87 -2.00 0.00 0.00 179.45 179.30 1myf h LYS 63 N 0.95 0.68 -0.12 0.07 1.57 -0.57 0.12 116.57 119.27 1myf h LYS 63 Ca 0.25 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1myf h LYS 63 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1myf h LYS 63 CO -0.05 0.47 0.05 1.25 -0.57 0.00 0.00 179.45 180.61 1myf h HIS 64 N 0.70 0.18 -0.93 -1.35 2.76 0.11 -0.35 115.15 116.27 1myf h HIS 64 Ca 0.19 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.54 1myf h HIS 64 Cb -0.05 -0.05 -0.11 0.00 1.55 0.00 0.00 27.41 28.75 1myf h HIS 64 CO 0.00 0.26 0.50 0.78 -1.30 0.00 0.00 177.93 178.17 1myf h GLY 65 N 0.05 1.63 0.94 5.26 0.00 0.80 0.29 103.07 112.04 1myf h GLY 65 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1myf h GLY 65 CO -0.00 -0.16 -0.34 -2.08 0.00 0.00 0.00 176.54 173.96 1myf h VAL 66 N 0.58 0.26 -0.60 4.60 2.07 -0.69 0.08 116.25 122.55 1myf h VAL 66 Ca 0.56 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 68.10 1myf h VAL 66 Cb 0.95 0.29 -0.12 0.00 -1.52 0.00 0.00 31.29 30.90 1myf h VAL 66 CO -0.44 0.01 -0.22 0.74 0.02 0.00 0.00 177.57 177.68 1myf h THR 67 N -1.03 0.29 0.72 2.57 2.02 0.74 0.23 112.91 118.44 1myf h THR 67 Ca -0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1myf h THR 67 Cb 0.75 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1myf h THR 67 CO 0.16 0.00 -0.34 0.58 0.37 0.00 0.00 175.52 176.29 1myf h VAL 68 N -0.07 0.12 -0.27 3.16 2.07 -0.43 -0.61 116.25 120.21 1myf h VAL 68 Ca 0.27 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1myf h VAL 68 Cb 0.50 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1myf h VAL 68 CO -0.65 0.01 -0.02 -0.07 0.02 0.00 0.00 177.57 176.86 1myf h LEU 69 N -1.18 0.39 -0.55 2.57 3.38 -0.77 0.17 115.31 119.31 1myf h LEU 69 Ca -0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1myf h LEU 69 Cb 0.76 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1myf h LEU 69 CO 0.16 0.47 0.18 0.74 0.09 0.00 0.00 178.44 180.08 1myf h THR 70 N 0.40 1.23 0.42 0.22 2.02 -0.46 0.46 112.91 117.21 1myf h THR 70 Ca 0.09 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1myf h THR 70 Cb 0.30 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1myf h THR 70 CO 0.01 0.29 -0.20 0.00 0.37 0.00 0.00 175.52 175.99 1myf h ALA 71 N 1.04 -0.57 -0.98 6.16 0.00 -0.38 0.11 119.26 124.64 1myf h ALA 71 Ca 0.18 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1myf h ALA 71 Cb 0.26 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1myf h ALA 71 CO -0.01 -0.68 0.63 1.25 0.00 0.00 0.00 179.25 180.44 1myf h LEU 72 N -0.85 0.97 -0.17 0.00 5.85 -0.96 -0.54 115.31 119.61 1myf h LEU 72 Ca -0.06 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1myf h LEU 72 Cb 0.56 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1myf h LEU 72 CO 0.10 0.59 0.04 1.23 -0.34 0.00 0.00 178.44 180.06 1myf h GLY 73 N 1.09 0.20 0.91 3.75 0.00 0.03 -0.02 103.07 109.03 1myf h GLY 73 Ca 0.44 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1myf h GLY 73 CO -0.19 0.01 0.51 0.00 0.00 0.00 0.00 176.54 176.87 1myf h ALA 74 N 1.12 1.04 -0.05 3.60 0.00 -0.03 0.32 119.26 125.25 1myf h ALA 74 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1myf h ALA 74 Cb 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1myf h ALA 74 CO -0.09 0.35 -0.15 0.82 0.00 0.00 0.00 179.25 180.18 1myf h ILE 75 N 1.01 0.62 -0.41 0.00 5.03 -0.32 -0.18 117.51 123.26 1myf h ILE 75 Ca 0.31 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 65.04 1myf h ILE 75 Cb -0.03 0.62 -0.02 0.00 -3.03 0.00 0.00 36.82 34.36 1myf h ILE 75 CO -0.10 0.00 0.22 -0.07 -0.68 0.00 0.00 178.15 177.52 1myf h LEU 76 N -0.23 0.51 -1.12 1.44 3.38 -0.45 -2.96 115.31 115.89 1myf h LEU 76 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1myf h LEU 76 Cb 0.32 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1myf h LEU 76 CO -0.18 0.46 0.54 0.11 0.09 0.00 0.00 178.44 179.46 1myf h LYS 77 N 0.53 1.14 0.00 1.13 1.57 0.24 0.06 116.57 121.24 1myf h LYS 77 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1myf h LYS 77 Cb 0.06 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1myf h LYS 77 CO -0.02 0.77 0.00 1.63 -0.57 0.00 0.00 179.45 181.26 1myf n LYS 78 N -4.39 0.53 -4.06 3.15 4.01 -0.14 -4.89 118.16 112.37 1myf n LYS 78 Ca 0.10 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.48 1myf n LYS 78 Cb 0.04 -1.23 0.01 0.00 -0.51 0.00 0.00 35.03 33.34 1myf n LYS 78 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1myf n LYS 79 N -0.73 -0.34 0.00 1.97 2.85 0.01 -0.80 118.16 121.12 1myf n LYS 79 Ca 0.06 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1myf n LYS 79 Cb 0.03 -2.14 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 1myf n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1myf n GLY 80 N -2.02 3.36 2.38 2.58 0.00 -1.26 -4.94 105.19 105.29 1myf n GLY 80 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 1.50 -2.13 1.61 8.25 0.02 -4.88 115.22 117.59 1myf n HIS 81 Ca 0.00 -2.08 0.00 0.00 -0.26 0.00 0.00 57.72 55.38 1myf n HIS 81 Cb 0.00 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.53 1myf n HIS 81 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1myf n HIS 82 N 1.53 0.00 -0.95 4.41 8.25 -1.26 -0.93 115.22 126.26 1myf n HIS 82 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 1myf n HIS 82 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1myf n HIS 82 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1myf n GLU 83 N -0.52 -1.48 0.00 -0.41 2.13 -1.26 -1.62 120.64 117.49 1myf n GLU 83 Ca 0.00 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1myf n GLU 83 Cb 0.00 -4.60 0.00 0.00 0.27 0.00 0.00 31.44 27.11 1myf n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1myf n ALA 84 N 1.00 0.00 -1.20 4.31 0.00 -0.11 -4.48 120.51 120.03 1myf n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1myf n ALA 84 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1myf n ALA 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1myf n GLU 85 N -1.95 0.00 0.00 0.00 1.02 -0.64 -5.04 120.64 114.03 1myf n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1myf n GLU 85 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1myf n GLU 85 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1myf n LEU 86 N 0.00 0.00 -0.34 -4.62 0.00 -1.06 -4.74 117.00 106.24 1myf n LEU 86 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 1myf n LEU 86 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 43.42 43.53 1myf n LEU 86 CO 0.00 0.00 0.65 0.11 0.00 0.00 0.00 177.39 178.15 1myf h LYS 87 N 0.00 -0.01 -1.00 1.96 1.57 -1.96 0.21 116.57 117.35 1myf h LYS 87 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1myf h LYS 87 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1myf h LYS 87 CO 0.00 -0.00 0.66 -1.35 -0.57 0.00 0.00 179.45 178.18 1myf h PRO 88 N -0.01 1.29 -0.11 3.15 0.11 -1.99 0.15 132.00 134.60 1myf h PRO 88 Ca 0.42 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1myf h PRO 88 Cb 0.67 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1myf h PRO 88 CO -0.96 0.86 0.03 1.25 -0.21 0.00 0.00 178.00 178.96 1myf h LEU 89 N 1.33 0.16 0.05 2.35 5.85 -1.06 -1.69 115.31 122.30 1myf h LEU 89 Ca 0.37 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1myf h LEU 89 Cb -0.12 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1myf h LEU 89 CO -0.09 0.32 -0.10 0.00 -0.34 0.00 0.00 178.44 178.23 1myf h ALA 90 N 0.84 -0.15 -0.46 1.25 0.00 -0.75 -2.35 119.26 117.64 1myf h ALA 90 Ca 0.03 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1myf h ALA 90 Cb 0.22 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 1myf h ALA 90 CO -0.00 -0.61 -0.18 1.96 0.00 0.00 0.00 179.25 180.42 1myf h GLN 91 N -0.20 -0.08 0.79 0.00 4.20 -0.56 0.35 115.11 119.61 1myf h GLN 91 Ca 0.02 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1myf h GLN 91 Cb 0.21 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1myf h GLN 91 CO -0.06 -0.05 -0.38 0.66 -0.67 0.00 0.00 178.83 178.32 1myf h SER 92 N -0.08 -0.90 0.00 1.46 4.64 -1.18 0.84 113.55 118.33 1myf h SER 92 Ca 0.22 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1myf h SER 92 Cb 0.42 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1myf h SER 92 CO -0.52 -0.60 0.08 0.45 -0.87 0.00 0.00 176.83 175.37 1myf h HIS 93 N -1.14 0.00 0.00 4.77 3.86 -0.95 0.13 115.15 121.83 1myf h HIS 93 Ca -0.11 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 1myf h HIS 93 Cb 0.83 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1myf h HIS 93 CO -0.01 0.00 -1.11 0.00 0.86 0.00 0.00 177.93 177.67 1myf n ALA 94 N -1.79 0.80 0.03 2.45 0.00 0.12 -1.47 120.51 120.65 1myf n ALA 94 Ca -0.02 -0.73 0.08 0.00 0.00 0.00 0.00 53.44 52.78 1myf n ALA 94 Cb 0.11 -0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 1myf n ALA 94 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1myf n THR 95 N -4.47 0.48 -0.06 0.00 5.66 0.26 -3.26 114.28 112.90 1myf n THR 95 Ca -0.19 -0.57 -0.05 0.00 -3.05 0.00 0.00 64.05 60.18 1myf n THR 95 Cb 0.52 -0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 69.03 1myf n THR 95 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1myf n LYS 96 N -2.52 0.34 0.09 1.09 5.02 0.25 -4.69 118.16 117.73 1myf n LYS 96 Ca -0.06 0.23 -0.01 0.00 -2.02 0.00 0.00 58.31 56.45 1myf n LYS 96 Cb 0.65 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.41 1myf n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1myf h HIS 97 N -0.67 0.00 -6.76 2.13 3.86 -1.17 -3.49 115.15 109.05 1myf h HIS 97 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1myf h HIS 97 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1myf h HIS 97 CO -0.24 0.70 -0.99 0.36 0.86 0.00 0.00 177.93 178.62 1myf n LYS 98 N -3.21 -0.70 -2.44 2.45 2.85 -0.72 -4.91 118.16 111.48 1myf n LYS 98 Ca -0.01 0.18 -0.43 0.00 -1.05 0.00 0.00 58.31 57.00 1myf n LYS 98 Cb 0.83 -3.11 -0.02 0.00 -0.65 0.00 0.00 35.03 32.08 1myf n LYS 98 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1myf s ILE 99 N -3.62 4.26 -1.32 0.58 -4.36 -0.54 -4.93 121.20 111.27 1myf s ILE 99 Ca 0.42 1.49 -0.10 0.00 -0.26 0.00 0.00 60.65 62.20 1myf s ILE 99 Cb -0.21 -4.09 -0.07 0.00 1.25 0.00 0.00 42.46 39.35 1myf s ILE 99 CO 0.94 -0.27 2.53 -0.81 0.24 0.00 0.00 174.94 177.57 1myf n PRO 100 N 6.86 2.93 -2.57 0.37 -0.04 -1.26 -4.75 135.00 136.54 1myf n PRO 100 Ca 0.14 -1.97 -0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1myf n PRO 100 Cb 0.46 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1myf n PRO 100 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1myf n ILE 101 N 4.12 -0.01 0.00 0.52 5.41 -1.26 -4.59 119.36 123.54 1myf n ILE 101 Ca 0.63 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.37 1myf n ILE 101 Cb 0.23 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 1myf n ILE 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1myf n LYS 102 N -0.53 0.00 0.11 0.38 3.00 -1.26 -4.91 118.16 114.94 1myf n LYS 102 Ca -0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1myf n LYS 102 Cb 0.00 -0.07 0.64 0.00 0.00 0.00 0.00 35.03 35.60 1myf n LYS 102 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1myf h TYR 103 N 0.00 0.07 0.00 5.64 0.05 -1.93 0.96 116.97 121.76 1myf h TYR 103 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1myf h TYR 103 Cb 0.00 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 1myf h TYR 103 CO 0.00 0.04 -0.10 -0.07 -1.05 0.00 0.00 178.16 176.98 1myf h LEU 104 N 0.07 0.00 -0.86 3.88 3.38 -1.95 0.19 115.31 120.02 1myf h LEU 104 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1myf h LEU 104 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1myf h LEU 104 CO -0.01 0.10 -0.55 -0.33 0.09 0.00 0.00 178.44 177.74 1myf h GLU 105 N 0.00 0.05 -0.24 1.13 4.39 -1.18 0.14 114.58 118.87 1myf h GLU 105 Ca -0.00 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1myf h GLU 105 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1myf h GLU 105 CO 0.01 0.59 -0.54 0.74 -1.16 0.00 0.00 179.01 178.66 1myf h PHE 106 N 0.04 1.01 -0.05 4.33 0.04 -0.80 -1.11 116.94 120.40 1myf h PHE 106 Ca -0.00 -0.38 -0.07 0.00 2.80 0.00 0.00 57.97 60.32 1myf h PHE 106 Cb 0.99 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1myf h PHE 106 CO 0.00 1.19 -0.28 0.97 -0.60 0.00 0.00 178.31 179.60 1myf h ILE 107 N 0.54 1.22 -0.20 -0.55 2.10 -0.41 -1.50 117.51 118.71 1myf h ILE 107 Ca 0.00 -1.05 -0.00 0.00 1.08 0.00 0.00 64.86 64.89 1myf h ILE 107 Cb 1.15 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 38.36 1myf h ILE 107 CO 0.12 0.31 0.12 0.77 -1.08 0.00 0.00 178.15 178.38 1myf h SER 108 N 0.08 0.25 -0.51 2.19 4.64 -0.50 0.13 113.55 119.84 1myf h SER 108 Ca 0.01 -0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1myf h SER 108 Cb 0.54 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.49 1myf h SER 108 CO 0.04 0.24 0.07 -0.08 -0.87 0.00 0.00 176.83 176.22 1myf h GLU 109 N 0.24 0.19 0.19 4.77 4.81 -0.77 0.10 114.58 124.11 1myf h GLU 109 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1myf h GLU 109 Cb 0.04 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1myf h GLU 109 CO -0.01 0.12 -0.09 0.00 -0.73 0.00 0.00 179.01 178.30 1myf h ALA 110 N 1.42 -0.25 -0.25 2.92 0.00 -0.88 0.11 119.26 122.33 1myf h ALA 110 Ca 0.26 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1myf h ALA 110 Cb 0.37 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1myf h ALA 110 CO -0.37 -0.64 -0.19 0.82 0.00 0.00 0.00 179.25 178.87 1myf h ILE 111 N -0.26 0.48 -0.25 0.00 2.04 -0.22 0.57 117.51 119.87 1myf h ILE 111 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1myf h ILE 111 Cb 0.20 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1myf h ILE 111 CO 0.04 0.00 0.06 0.40 0.00 0.00 0.00 178.15 178.65 1myf h ILE 112 N -0.18 0.89 0.19 -0.67 2.04 -0.67 -0.06 117.51 119.05 1myf h ILE 112 Ca 0.14 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.96 1myf h ILE 112 Cb 0.40 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1myf h ILE 112 CO -0.36 0.03 -0.29 -0.74 0.00 0.00 0.00 178.15 176.79 1myf h HIS 113 N 0.16 -0.78 -0.22 1.37 2.76 0.38 0.11 115.15 118.93 1myf h HIS 113 Ca 0.12 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1myf h HIS 113 Cb 0.11 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1myf h HIS 113 CO -0.15 -0.40 0.10 0.28 -1.30 0.00 0.00 177.93 176.45 1myf h VAL 114 N -0.55 1.15 0.03 5.26 2.07 -0.55 0.11 116.25 123.77 1myf h VAL 114 Ca 0.01 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1myf h VAL 114 Cb 0.54 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1myf h VAL 114 CO -0.12 0.14 -0.08 -0.07 0.02 0.00 0.00 177.57 177.45 1myf h LEU 115 N 0.21 -0.24 -0.71 2.57 3.38 -0.91 0.16 115.31 119.77 1myf h LEU 115 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1myf h LEU 115 Cb 0.14 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1myf h LEU 115 CO -0.01 -0.13 0.44 -0.74 0.09 0.00 0.00 178.44 178.10 1myf h HIS 116 N -0.16 0.91 -0.07 1.13 2.76 -0.57 0.35 115.15 119.50 1myf h HIS 116 Ca 0.02 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1myf h HIS 116 Cb 0.19 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 1myf h HIS 116 CO -0.14 0.60 -0.08 0.77 -1.30 0.00 0.00 177.93 177.79 1myf h SER 117 N 0.96 0.19 0.63 3.26 0.02 -0.47 -2.59 113.55 115.55 1myf h SER 117 Ca 0.26 -0.50 -0.27 0.00 -0.84 0.00 0.00 61.79 60.43 1myf h SER 117 Cb -0.06 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1myf h SER 117 CO -0.05 0.65 -1.26 -0.09 -1.14 0.00 0.00 176.83 174.94 1myf h ARG 118 N -0.27 0.26 -2.14 3.45 2.43 -0.68 -3.39 114.38 114.05 1myf h ARG 118 Ca 0.01 -0.44 -0.54 0.00 -0.81 0.00 0.00 59.98 58.20 1myf h ARG 118 Cb 0.60 0.16 -0.41 0.00 -0.42 0.00 0.00 29.97 29.90 1myf h ARG 118 CO 0.02 1.20 -0.89 0.72 -1.51 0.00 0.00 179.97 179.51 1myf n HIS 119 N -3.52 2.36 0.20 2.20 8.25 0.12 -4.95 115.22 119.89 1myf n HIS 119 Ca -0.09 -3.89 -0.15 0.00 -0.26 0.00 0.00 57.72 53.33 1myf n HIS 119 Cb 1.02 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 31.60 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 2.98 -0.46 -2.03 -0.41 0.13 -1.58 0.38 132.00 131.02 1myf h PRO 120 Ca 0.12 0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1myf h PRO 120 Cb 0.72 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1myf h PRO 120 CO 0.68 -0.25 -0.02 0.41 -0.23 0.00 0.00 178.00 178.59 1myf n GLY 121 N -1.04 2.04 1.14 1.56 0.00 -1.26 -3.11 105.19 104.53 1myf n GLY 121 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.74 0.00 -3.42 1.61 2.03 -1.16 -4.95 116.55 112.39 1myf n ASP 122 Ca 0.03 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.97 1myf n ASP 122 Cb 0.41 0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 41.07 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 -2.06 2.55 -2.01 -0.67 7.35 0.11 -4.87 117.46 117.86 1myf n PHE 123 Ca 0.00 -2.85 -0.32 0.00 -0.76 0.00 0.00 57.45 53.52 1myf n PHE 123 Cb 0.00 -2.37 0.01 0.00 0.35 0.00 0.00 39.48 37.47 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 2.76 1.92 0.24 7.13 0.00 -1.26 -4.70 107.32 113.41 1myf s GLY 124 Ca 0.59 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 1myf s GLY 124 CO -0.05 0.47 1.32 0.00 0.00 0.00 0.00 173.10 174.83 1myf n ALA 125 N -2.28 0.27 -0.16 3.20 0.00 -1.26 0.06 120.51 120.34 1myf n ALA 125 Ca 0.07 0.92 -0.04 0.00 0.00 0.00 0.00 53.44 54.39 1myf n ALA 125 Cb 0.54 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 19.45 1myf n ALA 125 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1myf h ASP 126 N 0.00 0.32 -0.07 0.00 3.58 -1.97 0.11 116.42 118.39 1myf h ASP 126 Ca 0.44 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 1myf h ASP 126 Cb 0.75 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1myf h ASP 126 CO -0.85 0.22 0.02 0.00 -2.88 0.00 0.00 179.24 175.75 1myf h ALA 127 N 1.29 0.09 -0.33 -0.78 0.00 -0.71 -0.50 119.26 118.32 1myf h ALA 127 Ca 0.23 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1myf h ALA 127 Cb 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1myf h ALA 127 CO -0.18 -0.28 -0.25 1.96 0.00 0.00 0.00 179.25 180.50 1myf h GLN 128 N -0.10 -0.20 -0.13 0.00 4.20 -0.60 0.11 115.11 118.39 1myf h GLN 128 Ca 0.02 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1myf h GLN 128 Cb 0.24 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1myf h GLN 128 CO 0.00 -0.14 -0.07 0.78 -0.67 0.00 0.00 178.83 178.73 1myf h GLY 129 N -0.21 0.04 0.45 3.46 0.00 -0.71 0.16 103.07 106.26 1myf h GLY 129 Ca 0.16 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.66 1myf h GLY 129 CO -0.45 -0.09 0.07 0.00 0.00 0.00 0.00 176.54 176.07 1myf h ALA 130 N 1.04 0.44 -0.51 3.60 0.00 -0.16 0.26 119.26 123.94 1myf h ALA 130 Ca 0.08 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1myf h ALA 130 Cb 0.18 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1myf h ALA 130 CO -0.18 -0.33 0.05 1.98 0.00 0.00 0.00 179.25 180.77 1myf h MET 131 N 0.19 0.86 -0.43 0.00 -1.53 -0.45 -0.51 114.93 113.07 1myf h MET 131 Ca 0.20 -0.25 0.04 0.00 -3.44 0.00 0.00 59.70 56.26 1myf h MET 131 Cb 0.26 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.17 1myf h MET 131 CO -0.28 0.87 0.18 -0.97 0.14 0.00 0.00 176.91 176.85 1myf h ASN 132 N 0.74 0.23 -0.02 1.39 -0.00 -0.15 0.17 115.58 117.94 1myf h ASN 132 Ca 0.15 0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.49 1myf h ASN 132 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1myf h ASN 132 CO 0.02 0.17 0.01 0.11 -0.00 0.00 0.00 177.43 177.74 1myf h LYS 133 N 0.37 0.03 -0.43 6.67 1.57 -0.80 0.18 116.57 124.16 1myf h LYS 133 Ca 0.19 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1myf h LYS 133 Cb 0.15 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 1myf h LYS 133 CO -0.17 0.05 0.03 0.00 -0.57 0.00 0.00 179.45 178.79 1myf h ALA 134 N 0.97 0.42 -0.74 3.86 0.00 -0.62 0.67 119.26 123.83 1myf h ALA 134 Ca 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1myf h ALA 134 Cb 0.03 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1myf h ALA 134 CO -0.00 -0.37 0.31 1.25 0.00 0.00 0.00 179.25 180.44 1myf h LEU 135 N 0.14 0.99 -0.37 0.00 5.85 -0.40 -1.02 115.31 120.50 1myf h LEU 135 Ca 0.21 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1myf h LEU 135 Cb 0.30 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1myf h LEU 135 CO -0.34 0.87 0.23 -0.08 -0.34 0.00 0.00 178.44 178.78 1myf h GLU 136 N 1.06 0.50 -0.39 1.25 4.81 0.85 0.19 114.58 122.85 1myf h GLU 136 Ca 0.25 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1myf h GLU 136 Cb 0.18 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1myf h GLU 136 CO -0.02 0.37 0.17 1.25 -0.73 0.00 0.00 179.01 180.04 1myf h LEU 137 N 0.49 0.21 0.54 1.64 6.46 -0.54 0.15 115.31 124.25 1myf h LEU 137 Ca 0.13 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1myf h LEU 137 Cb -0.01 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1myf h LEU 137 CO -0.03 0.16 -0.28 0.15 -0.62 0.00 0.00 178.44 177.82 1myf h PHE 138 N 0.34 -0.74 -0.59 1.25 3.57 -0.36 -0.22 116.94 120.19 1myf h PHE 138 Ca 0.17 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.78 1myf h PHE 138 Cb 0.12 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 1myf h PHE 138 CO -0.12 -0.45 0.08 -0.09 -2.23 0.00 0.00 178.31 175.50 1myf h ARG 139 N -0.76 0.20 -0.67 1.11 2.43 -0.46 0.09 114.38 116.32 1myf h ARG 139 Ca -0.07 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1myf h ARG 139 Cb 0.60 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1myf h ARG 139 CO 0.10 0.13 0.34 -0.22 -1.51 0.00 0.00 179.97 178.81 1myf h LYS 140 N 0.20 0.94 0.03 0.20 3.64 -0.44 0.22 116.57 121.37 1myf h LYS 140 Ca 0.31 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1myf h LYS 140 Cb 0.47 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1myf h LYS 140 CO -0.43 0.71 -0.01 0.22 -2.27 0.00 0.00 179.45 177.67 1myf h ASP 141 N 0.94 -0.03 -0.78 4.20 1.82 0.83 -0.88 116.42 122.53 1myf h ASP 141 Ca 0.24 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1myf h ASP 141 Cb 0.07 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.05 1myf h ASP 141 CO -0.03 0.16 0.45 0.40 -1.61 0.00 0.00 179.24 178.60 1myf h ILE 142 N -0.23 1.22 -0.02 2.25 2.04 -0.87 0.73 117.51 122.64 1myf h ILE 142 Ca -0.00 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1myf h ILE 142 Cb 0.21 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1myf h ILE 142 CO 0.01 0.24 -0.10 0.00 0.00 0.00 0.00 178.15 178.29 1myf h ALA 143 N 1.24 -0.09 -0.64 1.87 0.00 -0.34 0.40 119.26 121.68 1myf h ALA 143 Ca 0.28 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1myf h ALA 143 Cb -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1myf h ALA 143 CO -0.05 -0.59 0.39 0.00 0.00 0.00 0.00 179.25 179.00 1myf h ALA 144 N 0.83 0.84 -0.82 0.00 0.00 -0.75 -1.44 119.26 117.92 1myf h ALA 144 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1myf h ALA 144 Cb 0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1myf h ALA 144 CO -0.12 0.13 0.53 -0.22 0.00 0.00 0.00 179.25 179.57 1myf h LYS 145 N 0.76 1.03 -0.35 0.00 1.63 -0.01 -1.40 116.57 118.24 1myf h LYS 145 Ca 0.26 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 60.01 1myf h LYS 145 Cb 0.05 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 1myf h LYS 145 CO -0.12 0.68 0.22 1.88 -3.45 0.00 0.00 179.45 178.67 1myf h TYR 146 N 1.06 0.42 -0.64 1.91 -1.99 0.36 0.18 116.97 118.28 1myf h TYR 146 Ca 0.32 0.01 0.05 0.00 2.00 0.00 0.00 58.73 61.11 1myf h TYR 146 Cb -0.05 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 38.49 1myf h TYR 146 CO -0.02 0.26 0.35 0.87 -0.00 0.00 0.00 178.16 179.62 1myf h LYS 147 N 0.46 0.64 -0.59 4.88 1.57 -0.82 0.43 116.57 123.14 1myf h LYS 147 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1myf h LYS 147 Cb -0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1myf h LYS 147 CO -0.04 0.43 0.30 0.93 -0.57 0.00 0.00 179.45 180.50 1myf h GLU 148 N 0.66 0.84 0.00 3.15 5.08 -0.23 -2.87 114.58 121.21 1myf h GLU 148 Ca 0.28 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1myf h GLU 148 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1myf h GLU 148 CO -0.17 0.67 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.00 1myf h LEU 149 N 0.80 0.00 0.00 1.33 3.38 0.17 -3.47 115.31 117.52 1myf h LEU 149 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1myf h LEU 149 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1myf h LEU 149 CO -0.03 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1myf n GLY 150 N -0.02 0.70 2.94 0.83 0.00 0.12 -5.07 105.19 104.68 1myf n GLY 150 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.02 0.26 -1.29 1.61 2.02 0.57 -4.91 117.35 114.58 1myf s TYR 151 Ca 0.00 -0.17 -0.23 0.00 -0.37 0.00 0.00 57.07 56.30 1myf s TYR 151 Cb 0.00 -0.17 0.03 0.00 -0.40 0.00 0.00 41.96 41.41 1myf s TYR 151 CO 0.00 -0.04 0.53 1.04 -1.57 0.00 0.00 175.55 175.51 1myf n GLN 152 N 2.61 -0.77 0.00 -0.62 3.00 -1.26 -2.70 117.38 117.63 1myf n GLN 152 Ca -0.15 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1myf n GLN 152 Cb 0.58 -3.13 0.00 0.00 0.00 0.00 0.00 30.24 27.69 1myf n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47