#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 2.45 0.61 1.34 0.05 -1.26 -5.09 118.68 116.78 1myf s LEU 2 Ca 0.00 -0.89 -0.05 0.00 0.05 0.00 0.00 54.13 53.24 1myf s LEU 2 Cb 0.00 -0.36 0.02 0.00 -2.05 0.00 0.00 46.19 43.80 1myf s LEU 2 CO 0.00 -0.27 0.91 -0.44 -0.55 0.00 0.00 176.35 176.00 1myf s SER 3 N -2.73 5.40 0.26 1.48 0.01 -1.26 -4.89 113.70 111.98 1myf s SER 3 Ca 0.10 0.59 -0.02 0.00 1.31 0.00 0.00 55.95 57.93 1myf s SER 3 Cb -0.01 -1.50 0.52 0.00 0.21 0.00 0.00 66.02 65.23 1myf s SER 3 CO 0.01 -1.18 1.75 -0.33 0.41 0.00 0.00 173.24 173.90 1myf h GLU 4 N -0.23 0.54 -0.12 12.44 3.07 -2.02 0.35 114.58 128.61 1myf h GLU 4 Ca -0.45 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.41 1myf h GLU 4 Cb 1.27 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 1myf h GLU 4 CO 0.60 0.35 -0.08 0.78 -1.40 0.00 0.00 179.01 179.27 1myf h GLY 5 N 0.55 0.03 1.00 -3.84 0.00 -1.99 0.13 103.07 98.94 1myf h GLY 5 Ca 0.45 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.89 1myf h GLY 5 CO -0.38 -0.09 0.66 0.83 0.00 0.00 0.00 176.54 177.56 1myf h GLU 6 N -0.08 1.31 -0.65 4.80 5.08 -1.60 0.39 114.58 123.83 1myf h GLU 6 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1myf h GLU 6 Cb 0.18 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1myf h GLU 6 CO -0.17 0.86 0.42 -1.49 -1.00 0.00 0.00 179.01 177.64 1myf h TRP 7 N 1.35 0.84 -0.04 4.33 -0.00 -0.13 0.11 115.95 122.40 1myf h TRP 7 Ca 0.37 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.28 1myf h TRP 7 Cb -0.14 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 28.73 1myf h TRP 7 CO -0.00 0.54 0.00 0.37 -0.00 0.00 0.00 178.44 179.35 1myf h GLN 8 N 0.89 0.02 -0.33 0.49 4.15 0.47 0.12 115.11 120.92 1myf h GLN 8 Ca 0.24 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.72 1myf h GLN 8 Cb -0.08 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.55 1myf h GLN 8 CO -0.05 0.01 -0.09 -0.07 -1.93 0.00 0.00 178.83 176.70 1myf h LEU 9 N 0.02 -0.33 -0.22 -2.39 4.07 -0.74 0.30 115.31 116.02 1myf h LEU 9 Ca 0.02 0.10 0.06 0.00 0.08 0.00 0.00 57.88 58.13 1myf h LEU 9 Cb 0.02 0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1myf h LEU 9 CO -0.03 -0.12 -0.16 0.58 -1.08 0.00 0.00 178.44 177.64 1myf h VAL 10 N -0.01 0.55 -0.96 1.22 2.07 -0.43 0.84 116.25 119.53 1myf h VAL 10 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1myf h VAL 10 Cb 0.25 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1myf h VAL 10 CO -0.34 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 177.81 1myf h LEU 11 N -0.15 1.06 0.59 2.57 3.38 -0.43 0.33 115.31 122.65 1myf h LEU 11 Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1myf h LEU 11 Cb 0.35 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1myf h LEU 11 CO -0.32 0.74 -0.36 0.45 0.09 0.00 0.00 178.44 179.04 1myf h HIS 12 N 1.24 -0.95 -0.93 1.13 3.86 0.62 0.20 115.15 120.32 1myf h HIS 12 Ca 0.38 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.65 1myf h HIS 12 Cb -0.03 0.34 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 1myf h HIS 12 CO -0.01 -0.55 0.58 0.28 0.86 0.00 0.00 177.93 179.10 1myf h VAL 13 N -0.89 1.02 -0.12 2.45 2.07 -0.48 -1.18 116.25 119.12 1myf h VAL 13 Ca -0.07 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1myf h VAL 13 Cb 0.72 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1myf h VAL 13 CO 0.07 0.19 -0.31 -0.25 0.02 0.00 0.00 177.57 177.29 1myf h TRP 14 N 1.02 0.25 -0.82 1.57 2.91 -0.08 -0.35 115.95 120.45 1myf h TRP 14 Ca 0.42 -0.05 0.22 0.00 1.13 0.00 0.00 58.89 60.60 1myf h TRP 14 Cb 0.25 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.79 1myf h TRP 14 CO -0.02 0.51 0.57 0.00 -1.03 0.00 0.00 178.44 178.48 1myf h ALA 15 N 1.49 2.53 -0.17 2.65 0.00 0.35 0.23 119.26 126.33 1myf h ALA 15 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1myf h ALA 15 Cb 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1myf h ALA 15 CO 0.05 -0.77 0.05 0.87 0.00 0.00 0.00 179.25 179.44 1myf h LYS 16 N 0.16 0.27 0.78 0.00 6.56 -1.10 0.55 116.57 123.78 1myf h LYS 16 Ca 0.41 -0.06 -0.03 0.00 -1.06 0.00 0.00 60.65 59.90 1myf h LYS 16 Cb 1.35 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.98 1myf h LYS 16 CO -0.07 0.39 -0.45 0.28 -2.06 0.00 0.00 179.45 177.54 1myf h VAL 17 N 0.09 0.09 -0.99 0.50 2.07 -1.23 -3.04 116.25 113.75 1myf h VAL 17 Ca 0.05 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.80 1myf h VAL 17 Cb 0.24 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.01 1myf h VAL 17 CO -0.00 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 178.14 1myf h GLU 18 N -1.14 0.46 -0.72 1.57 4.57 -0.52 0.91 114.58 119.70 1myf h GLU 18 Ca -0.10 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.16 1myf h GLU 18 Cb 0.91 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 1myf h GLU 18 CO 0.12 0.31 0.48 0.00 -1.18 0.00 0.00 179.01 178.74 1myf h ALA 19 N 1.62 1.90 -1.53 2.92 0.00 -0.76 -3.31 119.26 120.11 1myf h ALA 19 Ca 0.55 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.99 1myf h ALA 19 Cb 1.27 -0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.62 1myf h ALA 19 CO -0.27 -0.07 -0.92 -0.40 0.00 0.00 0.00 179.25 177.59 1myf n ASP 20 N -4.49 -0.81 -0.06 0.00 5.75 0.22 -5.02 116.55 112.13 1myf n ASP 20 Ca 0.12 -2.81 -0.14 0.00 -0.01 0.00 0.00 54.79 51.96 1myf n ASP 20 Cb 0.38 0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.44 1myf n ASP 20 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1myf h VAL 21 N 2.71 0.00 -0.95 2.12 2.07 -1.40 -0.74 116.25 120.07 1myf h VAL 21 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1myf h VAL 21 Cb 0.93 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 1myf h VAL 21 CO 0.40 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.58 1myf h ALA 22 N -0.23 1.33 -0.17 1.67 0.00 -1.87 0.21 119.26 120.21 1myf h ALA 22 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1myf h ALA 22 Cb 0.62 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1myf h ALA 22 CO -0.49 0.33 0.06 0.78 0.00 0.00 0.00 179.25 179.93 1myf h GLY 23 N 1.05 0.21 0.56 0.00 0.00 -1.55 0.62 103.07 103.95 1myf h GLY 23 Ca 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1myf h GLY 23 CO -0.20 0.03 -0.00 0.45 0.00 0.00 0.00 176.54 176.82 1myf h HIS 24 N 0.15 -0.01 -0.78 5.60 3.86 -0.71 -3.15 115.15 120.11 1myf h HIS 24 Ca 0.07 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.44 1myf h HIS 24 Cb 0.03 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.36 1myf h HIS 24 CO -0.11 0.43 -0.20 0.78 0.86 0.00 0.00 177.93 179.69 1myf h GLY 25 N -0.44 0.55 0.13 2.45 0.00 -0.33 0.22 103.07 105.64 1myf h GLY 25 Ca -0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1myf h GLY 25 CO 0.00 -0.30 -0.08 1.46 0.00 0.00 0.00 176.54 177.63 1myf h GLN 26 N -0.00 -0.18 -0.93 4.80 1.08 -0.89 -1.43 115.11 117.56 1myf h GLN 26 Ca 0.38 0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.85 1myf h GLN 26 Cb 0.57 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 27.91 1myf h GLN 26 CO -0.81 -0.12 0.40 -0.44 -0.95 0.00 0.00 178.83 176.91 1myf h ASP 27 N -0.19 0.28 0.12 1.46 5.19 -1.35 0.28 116.42 122.21 1myf h ASP 27 Ca -0.02 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1myf h ASP 27 Cb 0.15 0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1myf h ASP 27 CO 0.02 -0.09 -0.06 0.40 -3.12 0.00 0.00 179.24 176.39 1myf h ILE 28 N 0.32 0.91 -0.43 0.35 2.04 -0.41 0.26 117.51 120.54 1myf h ILE 28 Ca 0.62 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 66.28 1myf h ILE 28 Cb 1.28 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1myf h ILE 28 CO -0.60 0.03 -0.05 -0.07 0.00 0.00 0.00 178.15 177.46 1myf h LEU 29 N -0.21 0.79 -0.57 1.44 3.38 0.06 -0.37 115.31 119.83 1myf h LEU 29 Ca -0.02 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1myf h LEU 29 Cb 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1myf h LEU 29 CO 0.03 0.94 0.32 0.40 0.09 0.00 0.00 178.44 180.22 1myf h ILE 30 N 0.63 1.01 -0.14 1.22 2.04 -0.23 0.13 117.51 122.16 1myf h ILE 30 Ca 0.12 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1myf h ILE 30 Cb 0.56 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1myf h ILE 30 CO 0.03 0.11 -0.05 -0.09 0.00 0.00 0.00 178.15 178.16 1myf h ARG 31 N 0.62 0.27 0.12 2.37 2.43 -0.31 0.84 114.38 120.72 1myf h ARG 31 Ca 0.24 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1myf h ARG 31 Cb 0.10 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1myf h ARG 31 CO -0.14 0.58 -0.31 1.25 -1.51 0.00 0.00 179.97 179.84 1myf h LEU 32 N -0.05 -0.91 0.44 3.80 5.85 -0.59 0.15 115.31 124.00 1myf h LEU 32 Ca 0.03 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1myf h LEU 32 Cb 0.48 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1myf h LEU 32 CO 0.02 -0.40 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.10 1myf h PHE 33 N -0.54 -0.93 -0.36 1.25 0.04 -0.75 0.17 116.94 115.82 1myf h PHE 33 Ca 0.03 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1myf h PHE 33 Cb 0.57 0.35 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 1myf h PHE 33 CO -0.28 -0.51 0.22 -0.22 -0.60 0.00 0.00 178.31 176.92 1myf h LYS 34 N -0.78 0.48 -0.21 1.51 3.64 -0.62 -1.98 116.57 118.61 1myf h LYS 34 Ca -0.04 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 1myf h LYS 34 Cb 0.67 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1myf h LYS 34 CO -0.01 0.35 -0.49 1.03 -2.27 0.00 0.00 179.45 178.07 1myf h SER 35 N 0.47 0.60 -2.59 4.20 0.87 -0.71 -3.38 113.55 113.01 1myf h SER 35 Ca 0.13 -0.29 -0.60 0.00 -1.23 0.00 0.00 61.79 59.80 1myf h SER 35 Cb -0.02 -0.17 -0.39 0.00 -0.44 0.00 0.00 62.40 61.38 1myf h SER 35 CO -0.03 0.98 -0.84 1.41 -0.53 0.00 0.00 176.83 177.83 1myf n HIS 36 N -3.99 0.59 -0.32 2.24 8.25 0.58 -5.01 115.22 117.58 1myf n HIS 36 Ca -0.02 -3.67 0.18 0.00 -0.26 0.00 0.00 57.72 53.95 1myf n HIS 36 Cb 0.56 -0.07 0.38 0.00 1.12 0.00 0.00 29.99 31.98 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 5.46 0.20 -0.28 -0.41 0.11 -1.56 0.39 132.00 135.91 1myf h PRO 37 Ca 0.22 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.40 1myf h PRO 37 Cb 0.85 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1myf h PRO 37 CO 0.50 0.13 0.31 1.49 -0.21 0.00 0.00 178.00 180.23 1myf h GLU 38 N 0.21 0.00 -0.09 1.05 4.57 -1.93 -0.92 114.58 117.48 1myf h GLU 38 Ca 0.64 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.70 1myf h GLU 38 Cb 1.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1myf h GLU 38 CO -0.68 0.00 -0.51 1.79 -1.18 0.00 0.00 179.01 178.43 1myf h THR 39 N 0.00 1.35 -0.18 0.32 1.35 -1.23 -3.16 112.91 111.37 1myf h THR 39 Ca 0.13 -1.76 -0.10 0.00 -0.55 0.00 0.00 66.41 64.13 1myf h THR 39 Cb 0.76 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1myf h THR 39 CO -0.00 0.52 -0.30 0.25 -0.25 0.00 0.00 175.52 175.74 1myf h LEU 40 N 0.18 0.57 -1.93 3.87 5.85 -1.30 -3.04 115.31 119.51 1myf h LEU 40 Ca 0.01 -0.53 0.36 0.00 0.84 0.00 0.00 57.88 58.55 1myf h LEU 40 Cb 0.96 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1myf h LEU 40 CO 0.08 0.99 0.88 -0.33 -0.34 0.00 0.00 178.44 179.72 1myf h GLU 41 N 0.16 0.04 0.00 1.25 5.08 -1.49 0.17 114.58 119.78 1myf h GLU 41 Ca 0.01 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1myf h GLU 41 Cb 0.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1myf h GLU 41 CO 0.07 0.02 -0.18 0.87 -1.00 0.00 0.00 179.01 178.80 1myf h LYS 42 N 0.04 0.00 -5.49 2.33 1.79 -1.59 -3.40 116.57 110.24 1myf h LYS 42 Ca 0.60 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 58.44 1myf h LYS 42 Cb 2.32 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 32.83 1myf h LYS 42 CO -0.04 0.18 0.45 -0.06 -1.08 0.00 0.00 179.45 178.89 1myf s PHE 43 N -4.41 2.80 0.29 -1.35 0.40 0.05 -4.92 117.98 110.83 1myf s PHE 43 Ca -0.03 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1myf s PHE 43 Cb 0.14 -4.07 0.58 0.00 0.51 0.00 0.00 43.02 40.19 1myf s PHE 43 CO 0.65 -1.42 1.82 0.22 0.70 0.00 0.00 175.22 177.20 1myf h ASP 44 N 9.36 0.90 1.00 1.36 3.58 -1.85 0.17 116.42 130.94 1myf h ASP 44 Ca -0.28 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1myf h ASP 44 Cb 1.08 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1myf h ASP 44 CO 1.11 0.45 0.00 0.08 -2.88 0.00 0.00 179.24 178.00 1myf h ARG 45 N 0.96 0.00 0.00 0.28 0.11 -1.95 -3.38 114.38 110.40 1myf h ARG 45 Ca 0.51 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.42 1myf h ARG 45 Cb 0.56 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.61 1myf h ARG 45 CO -0.29 0.00 -1.55 1.19 0.10 0.00 0.00 179.97 179.43 1myf n PHE 46 N -2.32 0.00 0.00 4.08 3.72 0.37 -4.95 117.46 118.36 1myf n PHE 46 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1myf n PHE 46 Cb 0.30 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1myf n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1myf n LYS 47 N -3.53 0.00 0.20 -1.08 5.02 0.06 -0.52 118.16 118.30 1myf n LYS 47 Ca -0.21 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.25 1myf n LYS 47 Cb 0.63 0.00 0.82 0.00 -0.02 0.00 0.00 35.03 36.46 1myf n LYS 47 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 1myf h HIS 48 N 0.00 0.00 -0.08 2.13 2.07 -1.90 -3.38 115.15 113.99 1myf h HIS 48 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1myf h HIS 48 Cb 0.00 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.99 1myf h HIS 48 CO 0.00 0.00 2.43 1.28 -3.07 0.00 0.00 177.93 178.57 1myf n LEU 49 N -3.81 4.84 0.21 6.12 4.77 0.32 -4.60 117.00 124.85 1myf n LEU 49 Ca 0.02 -3.32 0.10 0.00 -0.03 0.00 0.00 56.01 52.77 1myf n LEU 49 Cb 0.35 -1.35 0.32 0.00 -2.33 0.00 0.00 43.42 40.41 1myf n LEU 49 CO 0.28 -0.04 0.76 0.11 -1.33 0.00 0.00 177.39 177.16 1myf h LYS 50 N 7.49 0.00 -6.50 3.23 1.79 -1.87 -3.44 116.57 117.28 1myf h LYS 50 Ca 0.45 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.35 1myf h LYS 50 Cb 0.69 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.27 1myf h LYS 50 CO 1.85 0.20 0.84 0.95 -1.08 0.00 0.00 179.45 182.21 1myf s THR 51 N -3.39 4.34 0.31 -0.16 -4.23 -1.26 -4.93 115.64 106.32 1myf s THR 51 Ca 0.03 1.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.89 1myf s THR 51 Cb 0.08 -4.52 0.30 0.00 1.34 0.00 0.00 72.50 69.70 1myf s THR 51 CO 0.66 -0.83 1.73 -0.33 -0.54 0.00 0.00 174.62 175.31 1myf h GLU 52 N 8.88 0.55 -0.97 3.99 3.07 -1.98 0.76 114.58 128.88 1myf h GLU 52 Ca -0.23 -0.03 0.20 0.00 -0.50 0.00 0.00 59.36 58.80 1myf h GLU 52 Cb 1.06 -0.12 -0.11 0.00 -0.84 0.00 0.00 28.75 28.74 1myf h GLU 52 CO 1.08 0.36 0.55 0.00 -1.40 0.00 0.00 179.01 179.61 1myf h ALA 53 N 1.70 1.60 0.01 3.43 0.00 -1.97 0.13 119.26 124.18 1myf h ALA 53 Ca 0.60 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.47 1myf h ALA 53 Cb 1.11 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1myf h ALA 53 CO -0.47 -0.14 -0.57 0.93 0.00 0.00 0.00 179.25 179.00 1myf h GLU 54 N 0.66 0.36 -0.43 0.00 3.07 -1.25 -3.08 114.58 113.90 1myf h GLU 54 Ca 0.57 -0.41 0.09 0.00 -0.50 0.00 0.00 59.36 59.12 1myf h GLU 54 Cb 0.95 0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 28.90 1myf h GLU 54 CO -0.42 1.09 -0.14 0.52 -1.40 0.00 0.00 179.01 178.66 1myf h MET 55 N -0.20 -0.04 -0.86 2.33 2.86 -0.64 0.17 114.93 118.54 1myf h MET 55 Ca -0.08 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.71 1myf h MET 55 Cb 1.30 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.91 1myf h MET 55 CO 0.11 -0.03 0.56 -0.22 1.06 0.00 0.00 176.91 178.39 1myf h LYS 56 N -0.04 0.61 -0.01 1.72 3.64 -0.84 -0.06 116.57 121.59 1myf h LYS 56 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1myf h LYS 56 Cb 0.36 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1myf h LYS 56 CO -0.47 0.40 -0.43 0.00 -2.27 0.00 0.00 179.45 176.68 1myf n ALA 57 N -2.45 3.45 -2.18 5.00 0.00 0.14 -4.86 120.51 119.60 1myf n ALA 57 Ca 0.17 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 1myf n ALA 57 Cb 0.49 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1myf n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1myf s SER 58 N -2.63 5.71 0.36 0.00 0.15 0.36 -4.84 113.70 112.80 1myf s SER 58 Ca 0.19 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.32 1myf s SER 58 Cb 0.18 -2.54 0.69 0.00 -1.71 0.00 0.00 66.02 62.65 1myf s SER 58 CO 0.60 -2.01 2.00 -0.08 1.20 0.00 0.00 173.24 174.95 1myf h GLU 59 N 13.05 0.78 -0.61 5.44 4.81 -1.89 0.58 114.58 136.73 1myf h GLU 59 Ca -0.28 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1myf h GLU 59 Cb 1.13 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1myf h GLU 59 CO 1.18 0.51 0.07 0.22 -0.73 0.00 0.00 179.01 180.26 1myf h ASP 60 N 0.80 0.99 -0.55 1.04 3.58 -1.96 0.68 116.42 121.00 1myf h ASP 60 Ca 0.25 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1myf h ASP 60 Cb 0.02 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 1myf h ASP 60 CO -0.07 1.00 0.27 0.25 -2.88 0.00 0.00 179.24 177.82 1myf h LEU 61 N 0.95 0.71 0.15 2.28 5.85 -1.40 0.12 115.31 123.97 1myf h LEU 61 Ca 0.19 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1myf h LEU 61 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1myf h LEU 61 CO 0.02 0.63 -0.21 0.11 -0.34 0.00 0.00 178.44 178.64 1myf h LYS 62 N 0.73 -0.40 -0.85 1.25 1.57 -0.32 0.17 116.57 118.72 1myf h LYS 62 Ca 0.19 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 1myf h LYS 62 Cb 0.10 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 1myf h LYS 62 CO -0.03 -0.27 0.46 -0.22 -0.57 0.00 0.00 179.45 178.83 1myf h LYS 63 N -0.42 0.69 0.10 3.15 1.63 -0.61 0.62 116.57 121.72 1myf h LYS 63 Ca 0.02 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1myf h LYS 63 Cb 0.42 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1myf h LYS 63 CO -0.09 0.45 -0.05 1.25 -3.45 0.00 0.00 179.45 177.56 1myf h HIS 64 N 0.71 -0.12 -0.96 1.91 2.76 0.51 -0.42 115.15 119.54 1myf h HIS 64 Ca 0.44 -0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.83 1myf h HIS 64 Cb 0.54 0.04 -0.12 0.00 1.55 0.00 0.00 27.41 29.42 1myf h HIS 64 CO -0.07 0.13 0.52 0.78 -1.30 0.00 0.00 177.93 177.99 1myf h GLY 65 N -0.37 1.74 0.84 5.26 0.00 0.25 0.31 103.07 111.09 1myf h GLY 65 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1myf h GLY 65 CO 0.02 -0.21 -0.18 -2.08 0.00 0.00 0.00 176.54 174.09 1myf h VAL 66 N 0.55 0.63 -0.50 4.60 2.07 -0.72 0.60 116.25 123.48 1myf h VAL 66 Ca 0.60 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.92 1myf h VAL 66 Cb 1.09 0.78 -0.10 0.00 -1.52 0.00 0.00 31.29 31.55 1myf h VAL 66 CO -0.47 0.06 -0.14 0.74 0.02 0.00 0.00 177.57 177.77 1myf h THR 67 N -0.67 0.47 0.49 2.57 2.02 0.87 0.22 112.91 118.87 1myf h THR 67 Ca -0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1myf h THR 67 Cb 0.48 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1myf h THR 67 CO 0.08 0.00 -0.24 0.58 0.37 0.00 0.00 175.52 176.32 1myf h VAL 68 N -0.02 0.00 -0.90 3.16 2.07 -0.36 -0.09 116.25 120.11 1myf h VAL 68 Ca 0.24 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.79 1myf h VAL 68 Cb 0.39 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1myf h VAL 68 CO -0.52 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.59 1myf h LEU 69 N -0.66 0.97 -0.95 2.57 3.38 -0.76 -1.73 115.31 118.13 1myf h LEU 69 Ca -0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1myf h LEU 69 Cb 0.51 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1myf h LEU 69 CO 0.11 0.67 0.34 0.74 0.09 0.00 0.00 178.44 180.39 1myf h THR 70 N 1.13 1.24 0.67 0.22 2.02 -0.44 0.51 112.91 118.26 1myf h THR 70 Ca 0.35 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1myf h THR 70 Cb 0.01 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1myf h THR 70 CO -0.10 0.30 -0.32 0.00 0.37 0.00 0.00 175.52 175.76 1myf h ALA 71 N 1.29 -0.90 -0.95 6.16 0.00 -0.14 0.95 119.26 125.68 1myf h ALA 71 Ca 0.26 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1myf h ALA 71 Cb 0.14 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1myf h ALA 71 CO -0.03 -0.93 0.61 1.25 0.00 0.00 0.00 179.25 180.15 1myf h LEU 72 N -1.06 0.90 0.09 0.00 5.85 -1.32 -1.87 115.31 117.89 1myf h LEU 72 Ca -0.09 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1myf h LEU 72 Cb 0.73 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1myf h LEU 72 CO 0.15 0.53 -0.17 1.23 -0.34 0.00 0.00 178.44 179.84 1myf h GLY 73 N 0.99 -0.29 0.80 3.75 0.00 0.19 0.14 103.07 108.65 1myf h GLY 73 Ca 0.44 0.20 0.04 0.00 0.00 0.00 0.00 47.33 48.01 1myf h GLY 73 CO -0.20 -0.16 0.43 0.00 0.00 0.00 0.00 176.54 176.60 1myf h ALA 74 N 0.53 0.93 -0.21 3.60 0.00 -0.18 0.28 119.26 124.20 1myf h ALA 74 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1myf h ALA 74 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1myf h ALA 74 CO -0.10 0.17 0.04 0.82 0.00 0.00 0.00 179.25 180.18 1myf h ILE 75 N 0.81 1.21 -0.54 0.00 2.04 -0.73 0.31 117.51 120.63 1myf h ILE 75 Ca 0.29 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1myf h ILE 75 Cb 0.08 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1myf h ILE 75 CO -0.13 0.22 0.33 -0.07 0.00 0.00 0.00 178.15 178.49 1myf h LEU 76 N 0.15 0.53 -0.68 1.44 3.38 -0.33 -0.36 115.31 119.43 1myf h LEU 76 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1myf h LEU 76 Cb 0.29 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1myf h LEU 76 CO 0.00 0.38 0.44 0.50 0.09 0.00 0.00 178.44 179.84 1myf h LYS 77 N 0.65 0.85 -1.14 1.13 3.64 0.01 -0.33 116.57 121.38 1myf h LYS 77 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1myf h LYS 77 Cb 0.01 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1myf h LYS 77 CO -0.09 0.56 0.00 1.63 -2.27 0.00 0.00 179.45 179.28 1myf n LYS 78 N -4.65 0.99 -3.89 1.90 4.76 0.06 -4.84 118.16 112.48 1myf n LYS 78 Ca 0.07 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.20 1myf n LYS 78 Cb 0.06 -1.01 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 1myf n LYS 78 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1myf n LYS 79 N 0.63 -0.83 -4.14 1.97 2.85 -0.13 -0.58 118.16 117.93 1myf n LYS 79 Ca 0.00 0.10 -0.29 0.00 -1.05 0.00 0.00 58.31 57.07 1myf n LYS 79 Cb 0.49 -3.42 -0.06 0.00 -0.65 0.00 0.00 35.03 31.40 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 -1.33 -0.20 0.22 2.58 0.00 -0.19 -4.86 105.19 101.41 1myf n GLY 80 Ca -0.01 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1myf n GLY 80 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1myf h HIS 81 N -1.76 0.00 -1.39 1.61 -0.00 -1.07 -3.49 115.15 109.05 1myf h HIS 81 Ca -0.64 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 59.81 1myf h HIS 81 Cb 1.39 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.75 1myf h HIS 81 CO 0.52 0.24 -0.45 0.72 -0.00 0.00 0.00 177.93 178.97 1myf n HIS 82 N -3.81 -1.56 0.00 6.12 8.25 -1.26 -4.89 115.22 118.06 1myf n HIS 82 Ca -0.02 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 1myf n HIS 82 Cb 0.34 -1.50 0.00 0.00 1.12 0.00 0.00 29.99 29.95 1myf n HIS 82 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1myf n GLU 83 N -2.50 0.00 0.28 -0.41 1.02 -1.26 -4.63 120.64 113.14 1myf n GLU 83 Ca -0.02 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1myf n GLU 83 Cb 0.23 -2.06 0.83 0.00 -0.02 0.00 0.00 31.44 30.42 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 1.59 -3.03 0.62 0.00 -2.02 -3.42 119.26 113.00 1myf h ALA 84 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1myf h ALA 84 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1myf h ALA 84 CO 0.00 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1myf n GLU 85 N -3.97 0.47 0.00 0.00 4.71 -1.26 -4.98 120.64 115.61 1myf n GLU 85 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1myf n GLU 85 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.54 1myf n GLU 85 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1myf n LEU 86 N 0.00 0.00 -0.12 -4.62 7.94 -1.26 -4.80 117.00 114.14 1myf n LEU 86 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1myf n LEU 86 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1myf n LEU 86 CO 0.00 0.00 0.23 0.29 -1.11 0.00 0.00 177.39 176.80 1myf n LYS 87 N 0.00 -0.13 0.21 1.96 5.02 -1.26 0.20 118.16 124.16 1myf n LYS 87 Ca 0.00 0.61 0.04 0.00 -2.02 0.00 0.00 58.31 56.95 1myf n LYS 87 Cb 0.00 -0.91 0.46 0.00 -0.02 0.00 0.00 35.03 34.56 1myf n LYS 87 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1myf h PRO 88 N 0.00 0.00 -0.14 1.97 0.13 -1.95 0.08 132.00 132.08 1myf h PRO 88 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 1myf h PRO 88 Cb 0.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 1myf h PRO 88 CO -0.27 0.24 -0.14 1.25 -0.23 0.00 0.00 178.00 178.85 1myf h LEU 89 N 0.00 0.37 -0.08 1.56 6.46 -0.64 -0.75 115.31 122.23 1myf h LEU 89 Ca -0.00 -0.48 0.02 0.00 -0.12 0.00 0.00 57.88 57.30 1myf h LEU 89 Cb 0.43 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1myf h LEU 89 CO 0.03 0.78 -0.06 0.00 -0.62 0.00 0.00 178.44 178.57 1myf h ALA 90 N 0.61 0.01 -0.30 1.25 0.00 -0.36 -0.91 119.26 119.55 1myf h ALA 90 Ca 0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1myf h ALA 90 Cb 0.67 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1myf h ALA 90 CO 0.04 -0.53 -0.13 0.37 0.00 0.00 0.00 179.25 179.01 1myf h GLN 91 N -0.06 -0.07 0.56 0.00 5.75 -0.92 0.30 115.11 120.67 1myf h GLN 91 Ca 0.05 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1myf h GLN 91 Cb 0.14 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1myf h GLN 91 CO -0.12 -0.05 -0.31 0.66 -2.65 0.00 0.00 178.83 176.36 1myf h SER 92 N -0.07 -0.77 -0.14 -0.69 4.64 -0.78 0.10 113.55 115.84 1myf h SER 92 Ca 0.15 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.55 1myf h SER 92 Cb 0.31 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1myf h SER 92 CO -0.35 -0.51 0.13 0.45 -0.87 0.00 0.00 176.83 175.68 1myf h HIS 93 N -0.81 0.00 0.07 4.77 3.86 -0.78 0.70 115.15 122.95 1myf h HIS 93 Ca -0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1myf h HIS 93 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1myf h HIS 93 CO -0.07 0.00 -0.03 0.00 0.86 0.00 0.00 177.93 178.68 1myf h ALA 94 N 1.88 -0.11 0.17 2.45 0.00 -0.06 -3.14 119.26 120.44 1myf h ALA 94 Ca 0.07 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 1myf h ALA 94 Cb 0.32 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1myf h ALA 94 CO -0.00 -0.10 -1.45 0.00 0.00 0.00 0.00 179.25 177.69 1myf h THR 95 N -0.77 1.28 0.00 0.00 1.03 -0.66 -1.97 112.91 111.82 1myf h THR 95 Ca -0.01 -2.82 -0.32 0.00 -0.01 0.00 0.00 66.41 63.25 1myf h THR 95 Cb 0.07 2.91 -0.05 0.00 -1.07 0.00 0.00 68.15 70.01 1myf h THR 95 CO 0.01 0.85 -1.93 0.29 -0.01 0.00 0.00 175.52 174.73 1myf n LYS 96 N -3.57 0.57 -0.01 0.00 5.02 0.19 -3.96 118.16 116.39 1myf n LYS 96 Ca -0.15 0.32 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1myf n LYS 96 Cb 1.06 -1.54 0.30 0.00 -0.02 0.00 0.00 35.03 34.83 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 -4.34 0.03 -0.79 2.13 8.25 -0.91 -4.89 115.22 114.71 1myf n HIS 97 Ca -0.41 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1myf n HIS 97 Cb 0.75 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.86 1myf n HIS 97 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1myf n LYS 98 N -0.55 0.00 0.00 -0.41 3.00 -1.24 -4.95 118.16 114.00 1myf n LYS 98 Ca 0.08 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1myf n LYS 98 Cb 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.30 1myf n LYS 98 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1myf n ILE 99 N -0.27 0.00 -1.66 3.15 3.06 -0.74 -4.80 119.36 118.10 1myf n ILE 99 Ca 0.00 0.00 -0.61 0.00 -2.50 0.00 0.00 62.75 59.64 1myf n ILE 99 Cb 0.01 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.10 1myf n ILE 99 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1myf n PRO 100 N -0.99 0.62 0.29 9.51 -0.02 -1.26 -4.71 135.00 138.43 1myf n PRO 100 Ca 0.00 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1myf n PRO 100 Cb 0.00 -1.85 0.64 0.00 -0.02 0.00 0.00 33.50 32.27 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 5.47 0.00 -0.94 4.25 2.04 -1.96 0.21 117.51 126.58 1myf h ILE 101 Ca -0.40 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.64 1myf h ILE 101 Cb 1.35 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 1myf h ILE 101 CO 0.99 0.00 0.60 0.11 0.00 0.00 0.00 178.15 179.85 1myf h LYS 102 N 0.00 0.56 -0.77 2.37 1.57 -1.96 0.43 116.57 118.77 1myf h LYS 102 Ca 0.00 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1myf h LYS 102 Cb 0.71 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 1myf h LYS 102 CO 0.00 0.37 0.50 1.88 -0.57 0.00 0.00 179.45 181.64 1myf h TYR 103 N 0.58 0.95 -0.06 -1.35 -1.99 -1.30 0.75 116.97 114.56 1myf h TYR 103 Ca 0.50 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 61.16 1myf h TYR 103 Cb 1.00 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 1myf h TYR 103 CO -0.00 0.58 -0.42 -0.07 -0.00 0.00 0.00 178.16 178.25 1myf h LEU 104 N 1.01 0.13 -0.98 3.88 3.38 -0.51 -2.04 115.31 120.17 1myf h LEU 104 Ca 0.29 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1myf h LEU 104 Cb -0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1myf h LEU 104 CO -0.08 0.54 0.65 -0.08 0.09 0.00 0.00 178.44 179.55 1myf h GLU 105 N 0.10 1.23 -0.27 1.13 4.81 0.10 0.14 114.58 121.83 1myf h GLU 105 Ca 0.01 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1myf h GLU 105 Cb 0.79 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1myf h GLU 105 CO 0.06 0.82 0.07 0.74 -0.73 0.00 0.00 179.01 179.97 1myf h PHE 106 N 1.27 0.45 -0.07 0.92 0.04 -0.26 -0.66 116.94 118.64 1myf h PHE 106 Ca 0.38 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.99 1myf h PHE 106 Cb -0.04 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1myf h PHE 106 CO -0.00 0.50 -0.47 0.97 -0.60 0.00 0.00 178.31 178.71 1myf h ILE 107 N 0.27 1.34 -0.36 -0.55 2.10 -0.89 -0.35 117.51 119.07 1myf h ILE 107 Ca 0.09 -1.64 -0.03 0.00 1.08 0.00 0.00 64.86 64.35 1myf h ILE 107 Cb 0.27 1.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 1myf h ILE 107 CO -0.00 0.48 0.09 0.77 -1.08 0.00 0.00 178.15 178.41 1myf h SER 108 N 0.13 0.54 -0.58 2.19 4.64 -0.65 0.13 113.55 119.95 1myf h SER 108 Ca 0.01 -0.23 0.08 0.00 -0.47 0.00 0.00 61.79 61.17 1myf h SER 108 Cb 0.88 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.76 1myf h SER 108 CO 0.07 0.63 0.24 -0.08 -0.87 0.00 0.00 176.83 176.82 1myf h GLU 109 N 0.43 0.43 0.04 4.77 4.57 -0.89 0.67 114.58 124.59 1myf h GLU 109 Ca 0.11 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1myf h GLU 109 Cb 0.30 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1myf h GLU 109 CO 0.00 0.28 -0.11 0.00 -1.18 0.00 0.00 179.01 178.01 1myf h ALA 110 N 1.38 -0.15 -0.22 2.92 0.00 -0.51 0.93 119.26 123.61 1myf h ALA 110 Ca 0.28 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1myf h ALA 110 Cb 0.31 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1myf h ALA 110 CO -0.26 -0.61 -0.16 0.82 0.00 0.00 0.00 179.25 179.03 1myf h ILE 111 N -0.21 0.54 -0.21 0.00 2.04 -0.12 0.13 117.51 119.69 1myf h ILE 111 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1myf h ILE 111 Cb 0.23 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1myf h ILE 111 CO -0.08 0.00 -0.08 0.40 0.00 0.00 0.00 178.15 178.39 1myf h ILE 112 N -0.16 0.72 0.25 -0.67 2.04 -0.66 -0.46 117.51 118.57 1myf h ILE 112 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1myf h ILE 112 Cb 0.35 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1myf h ILE 112 CO -0.31 0.00 -0.19 -0.74 0.00 0.00 0.00 178.15 176.90 1myf h HIS 113 N -0.05 -0.50 -0.31 1.37 2.76 0.16 -1.04 115.15 117.53 1myf h HIS 113 Ca 0.11 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1myf h HIS 113 Cb 0.22 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 1myf h HIS 113 CO -0.25 -0.29 0.14 0.28 -1.30 0.00 0.00 177.93 176.51 1myf h VAL 114 N -0.45 0.96 0.02 5.26 2.07 -0.50 1.00 116.25 124.61 1myf h VAL 114 Ca -0.02 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1myf h VAL 114 Cb 0.39 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1myf h VAL 114 CO -0.01 0.05 -0.35 -0.07 0.02 0.00 0.00 177.57 177.22 1myf h LEU 115 N 0.30 -1.05 0.28 2.57 3.38 -0.96 0.85 115.31 120.68 1myf h LEU 115 Ca 0.13 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1myf h LEU 115 Cb 0.07 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1myf h LEU 115 CO -0.11 -0.41 -0.19 -0.74 0.09 0.00 0.00 178.44 177.08 1myf h HIS 116 N -0.52 -0.49 0.31 1.13 2.76 -0.66 0.17 115.15 117.85 1myf h HIS 116 Ca 0.05 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1myf h HIS 116 Cb 0.59 0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1myf h HIS 116 CO -0.36 -0.29 -0.15 0.66 -1.30 0.00 0.00 177.93 176.49 1myf h SER 117 N -0.46 -0.36 -0.06 3.26 4.64 -0.60 -2.85 113.55 117.13 1myf h SER 117 Ca -0.03 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1myf h SER 117 Cb 0.39 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1myf h SER 117 CO 0.02 -0.18 -0.49 -0.09 -0.87 0.00 0.00 176.83 175.22 1myf h ARG 118 N -0.51 0.62 -2.20 4.77 2.43 -0.88 -3.38 114.38 115.24 1myf h ARG 118 Ca -0.04 -0.36 -0.57 0.00 -0.81 0.00 0.00 59.98 58.19 1myf h ARG 118 Cb 0.38 0.03 -0.41 0.00 -0.42 0.00 0.00 29.97 29.55 1myf h ARG 118 CO 0.07 0.97 -0.75 0.72 -1.51 0.00 0.00 179.97 179.47 1myf n HIS 119 N -3.99 3.02 0.27 2.20 8.25 0.58 -4.87 115.22 120.68 1myf n HIS 119 Ca -0.03 -3.98 0.14 0.00 -0.26 0.00 0.00 57.72 53.60 1myf n HIS 119 Cb 0.58 -0.49 0.77 0.00 1.12 0.00 0.00 29.99 31.97 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 3.37 0.00 0.00 -0.41 0.13 -1.69 -1.12 132.00 132.29 1myf h PRO 120 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1myf h PRO 120 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1myf h PRO 120 CO 0.75 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 1myf n GLY 121 N -0.61 -0.95 0.00 1.56 0.00 -1.26 -4.74 105.19 99.20 1myf n GLY 121 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.65 0.60 -3.82 1.61 -0.08 -0.42 -4.96 116.55 107.83 1myf n ASP 122 Ca 0.02 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.04 1myf n ASP 122 Cb 0.14 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.61 1myf n ASP 122 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1myf n PHE 123 N 0.00 -1.77 -2.34 -0.67 7.35 -1.26 -4.97 117.46 113.80 1myf n PHE 123 Ca 0.00 0.68 -0.26 0.00 -0.76 0.00 0.00 57.45 57.11 1myf n PHE 123 Cb 0.00 -3.79 0.12 0.00 0.35 0.00 0.00 39.48 36.16 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 -4.12 1.76 0.22 7.13 0.00 -1.26 -4.64 107.32 106.41 1myf s GLY 124 Ca 0.14 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.27 1myf s GLY 124 CO 0.86 -0.85 1.61 0.00 0.00 0.00 0.00 173.10 174.72 1myf h ALA 125 N -0.84 0.40 0.00 3.20 0.00 -1.98 0.10 119.26 120.14 1myf h ALA 125 Ca -0.40 0.26 -0.48 0.00 0.00 0.00 0.00 54.91 54.29 1myf h ALA 125 Cb 1.27 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1myf h ALA 125 CO 0.43 -0.45 2.28 -3.47 0.00 0.00 0.00 179.25 178.04 1myf n ASP 126 N -5.46 7.19 0.04 0.00 2.03 -1.26 -1.49 116.55 117.60 1myf n ASP 126 Ca 0.08 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.89 1myf n ASP 126 Cb 0.35 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 1myf n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1myf n ALA 127 N 3.24 0.00 -0.26 -1.67 0.00 -0.73 -4.94 120.51 116.16 1myf n ALA 127 Ca 0.63 0.00 0.02 0.00 0.00 0.00 0.00 53.44 54.09 1myf n ALA 127 Cb 0.45 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.00 1myf n ALA 127 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1myf h GLN 128 N 0.00 0.01 -0.24 0.00 4.20 -0.40 0.86 115.11 119.54 1myf h GLN 128 Ca 0.00 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1myf h GLN 128 Cb 0.00 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1myf h GLN 128 CO 0.00 0.00 0.00 0.78 -0.67 0.00 0.00 178.83 178.95 1myf h GLY 129 N 0.01 0.23 0.98 3.46 0.00 -1.51 0.12 103.07 106.35 1myf h GLY 129 Ca 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1myf h GLY 129 CO -0.76 -0.04 0.25 0.00 0.00 0.00 0.00 176.54 175.99 1myf h ALA 130 N 1.20 0.61 0.05 3.60 0.00 -1.31 0.76 119.26 124.17 1myf h ALA 130 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1myf h ALA 130 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1myf h ALA 130 CO -0.19 0.14 -0.02 1.98 0.00 0.00 0.00 179.25 181.16 1myf h MET 131 N 0.63 -0.06 -0.49 0.00 -1.53 -0.60 0.08 114.93 112.96 1myf h MET 131 Ca 0.17 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.49 1myf h MET 131 Cb 0.07 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.08 1myf h MET 131 CO -0.03 0.00 0.19 -0.91 0.14 0.00 0.00 176.91 176.30 1myf h ASN 132 N -0.11 0.21 -0.60 1.39 2.35 -0.58 0.17 115.58 118.41 1myf h ASN 132 Ca -0.01 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1myf h ASN 132 Cb 0.09 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 1myf h ASN 132 CO 0.01 0.15 0.34 0.11 -1.65 0.00 0.00 177.43 176.39 1myf h LYS 133 N 0.37 0.62 -0.42 0.81 1.79 -0.61 0.23 116.57 119.36 1myf h LYS 133 Ca 0.23 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1myf h LYS 133 Cb 0.22 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1myf h LYS 133 CO -0.22 0.41 0.25 0.00 -1.08 0.00 0.00 179.45 178.81 1myf h ALA 134 N 1.30 0.54 -0.74 3.86 0.00 0.07 0.18 119.26 124.47 1myf h ALA 134 Ca 0.26 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1myf h ALA 134 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1myf h ALA 134 CO -0.15 -0.08 0.30 -0.07 0.00 0.00 0.00 179.25 179.25 1myf h LEU 135 N 0.49 1.00 -0.14 0.00 3.38 -0.42 0.08 115.31 119.71 1myf h LEU 135 Ca 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1myf h LEU 135 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1myf h LEU 135 CO -0.08 0.88 0.06 -0.33 0.09 0.00 0.00 178.44 179.06 1myf h GLU 136 N 1.07 0.20 -0.39 1.13 5.08 0.06 -0.48 114.58 121.25 1myf h GLU 136 Ca 0.25 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1myf h GLU 136 Cb 0.19 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1myf h GLU 136 CO -0.02 0.27 0.12 1.25 -1.00 0.00 0.00 179.01 179.63 1myf h LEU 137 N 0.08 0.12 0.88 1.33 5.85 -0.34 0.16 115.31 123.40 1myf h LEU 137 Ca 0.05 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1myf h LEU 137 Cb 0.14 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.21 1myf h LEU 137 CO -0.01 0.10 -0.46 0.15 -0.34 0.00 0.00 178.44 177.89 1myf h PHE 138 N 0.28 -1.20 -0.44 1.25 3.57 -0.56 0.13 116.94 119.97 1myf h PHE 138 Ca 0.18 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.74 1myf h PHE 138 Cb 0.17 0.41 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 1myf h PHE 138 CO -0.16 -0.72 0.03 0.00 -2.23 0.00 0.00 178.31 175.23 1myf h ARG 139 N -1.23 0.14 -0.87 1.11 3.08 -0.97 -0.42 114.38 115.23 1myf h ARG 139 Ca -0.12 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1myf h ARG 139 Cb 0.95 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 1myf h ARG 139 CO 0.18 0.09 0.57 -0.22 -1.07 0.00 0.00 179.97 179.52 1myf h LYS 140 N 0.14 1.09 -0.07 0.04 3.64 -0.54 -0.81 116.57 120.06 1myf h LYS 140 Ca 0.22 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1myf h LYS 140 Cb 0.31 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1myf h LYS 140 CO -0.34 0.72 -0.03 0.22 -2.27 0.00 0.00 179.45 177.75 1myf h ASP 141 N 1.12 0.15 -0.90 4.20 1.82 0.82 -2.90 116.42 120.73 1myf h ASP 141 Ca 0.33 -0.40 0.14 0.00 -0.39 0.00 0.00 57.03 56.71 1myf h ASP 141 Cb -0.04 -0.04 -0.09 0.00 0.68 0.00 0.00 39.33 39.83 1myf h ASP 141 CO -0.09 0.52 0.51 0.40 -1.61 0.00 0.00 179.24 178.97 1myf h ILE 142 N -0.21 0.80 -0.51 2.25 2.04 -0.82 0.55 117.51 121.61 1myf h ILE 142 Ca 0.02 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.72 1myf h ILE 142 Cb 0.45 -0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 1myf h ILE 142 CO 0.01 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 178.25 1myf h ALA 143 N 1.55 0.43 -0.33 1.87 0.00 -0.95 0.16 119.26 121.99 1myf h ALA 143 Ca 0.47 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 55.39 1myf h ALA 143 Cb 0.60 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1myf h ALA 143 CO -0.32 -0.41 -0.45 0.00 0.00 0.00 0.00 179.25 178.06 1myf h ALA 144 N 1.48 0.57 -0.70 0.00 0.00 -1.23 -3.18 119.26 116.20 1myf h ALA 144 Ca 0.25 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1myf h ALA 144 Cb 0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1myf h ALA 144 CO -0.46 0.68 0.45 0.87 0.00 0.00 0.00 179.25 180.79 1myf h LYS 145 N 0.69 0.88 -0.13 0.00 1.79 0.18 -2.44 116.57 117.54 1myf h LYS 145 Ca 0.04 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1myf h LYS 145 Cb 1.04 -0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 1myf h LYS 145 CO 0.10 0.58 -0.54 1.88 -1.08 0.00 0.00 179.45 180.40 1myf h TYR 146 N 0.91 -1.61 -0.46 -1.35 -1.99 -0.71 0.34 116.97 112.10 1myf h TYR 146 Ca 0.27 0.06 -0.12 0.00 2.00 0.00 0.00 58.73 60.94 1myf h TYR 146 Cb -0.06 0.72 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1myf h TYR 146 CO -0.03 -0.55 -0.19 0.87 -0.00 0.00 0.00 178.16 178.26 1myf h LYS 147 N -0.59 0.92 -0.69 4.88 1.57 -1.65 -1.90 116.57 119.11 1myf h LYS 147 Ca 0.03 -0.37 0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1myf h LYS 147 Cb 0.68 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1myf h LYS 147 CO -0.43 1.02 0.45 1.49 -0.57 0.00 0.00 179.45 181.41 1myf h GLU 148 N 0.80 0.70 0.00 3.15 4.57 -0.84 0.38 114.58 123.34 1myf h GLU 148 Ca 0.11 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1myf h GLU 148 Cb 0.74 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1myf h GLU 148 CO 0.06 0.46 0.00 1.28 -1.18 0.00 0.00 179.01 179.63 1myf n LEU 149 N -4.48 0.00 -3.77 1.64 4.77 0.11 -4.93 117.00 110.35 1myf n LEU 149 Ca 0.10 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 56.02 1myf n LEU 149 Cb 0.22 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1myf n LEU 149 CO 0.34 -0.01 -0.13 0.61 -1.33 0.00 0.00 177.39 176.87 1myf n GLY 150 N 1.04 -0.57 3.76 -0.72 0.00 0.12 -4.86 105.19 103.96 1myf n GLY 150 Ca 0.16 0.28 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 1myf n GLY 150 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1myf s TYR 151 N -3.68 2.40 -0.16 1.61 1.13 -0.84 -4.95 117.35 112.85 1myf s TYR 151 Ca 0.20 1.31 -0.13 0.00 -1.41 0.00 0.00 57.07 57.04 1myf s TYR 151 Cb -0.07 -3.87 -0.06 0.00 -1.10 0.00 0.00 41.96 36.87 1myf s TYR 151 CO 0.86 -2.90 -0.21 1.04 -2.51 0.00 0.00 175.55 171.82 1myf n GLN 152 N -0.50 0.49 0.00 -3.49 3.00 -1.26 -5.00 117.38 110.62 1myf n GLN 152 Ca 0.07 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1myf n GLN 152 Cb 0.43 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.06 1myf n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47