#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mlf s VAL 1 N 0.00 0.71 0.31 3.17 1.01 -1.26 -5.05 120.40 119.30 1mlf s VAL 1 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 1mlf s VAL 1 Cb 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 1mlf s VAL 1 CO 0.00 0.31 0.83 -0.76 0.00 0.00 0.00 175.10 175.48 1mlf s LEU 2 N 1.69 4.19 0.92 3.92 1.02 -1.26 -5.08 118.68 124.09 1mlf s LEU 2 Ca 0.03 1.54 -0.13 0.00 0.02 0.00 0.00 54.13 55.58 1mlf s LEU 2 Cb -0.13 -4.01 0.15 0.00 0.02 0.00 0.00 46.19 42.22 1mlf s LEU 2 CO -0.06 -0.13 1.17 -0.94 0.02 0.00 0.00 176.35 176.41 1mlf s SER 3 N -1.90 3.43 0.27 2.29 1.04 -1.26 -4.89 113.70 112.67 1mlf s SER 3 Ca 0.51 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1mlf s SER 3 Cb -0.14 -1.28 0.37 0.00 0.10 0.00 0.00 66.02 65.07 1mlf s SER 3 CO 0.19 -2.59 1.73 -0.08 0.98 0.00 0.00 173.24 173.48 1mlf h GLU 4 N -1.53 0.63 -0.71 4.02 4.57 -1.99 -2.34 114.58 117.23 1mlf h GLU 4 Ca -0.48 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 57.47 1mlf h GLU 4 Cb 1.32 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 1mlf h GLU 4 CO 0.57 0.75 0.37 0.78 -1.18 0.00 0.00 179.01 180.31 1mlf h GLY 5 N 0.97 1.07 0.80 1.92 0.00 -1.99 -0.97 103.07 104.87 1mlf h GLY 5 Ca 0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1mlf h GLY 5 CO 0.04 0.47 0.00 0.83 0.00 0.00 0.00 176.54 177.88 1mlf h GLU 6 N 1.00 0.30 -0.81 4.80 5.08 -1.85 -2.26 114.58 120.84 1mlf h GLU 6 Ca 0.25 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1mlf h GLU 6 Cb 0.05 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1mlf h GLU 6 CO -0.04 0.51 0.53 -1.49 -1.00 0.00 0.00 179.01 177.52 1mlf h TRP 7 N 0.06 0.90 -0.15 4.33 -0.00 -1.22 -1.87 115.95 117.99 1mlf h TRP 7 Ca 0.05 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.96 1mlf h TRP 7 Cb 0.37 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.23 1mlf h TRP 7 CO 0.03 0.47 0.08 1.96 -0.00 0.00 0.00 178.44 180.99 1mlf h GLN 8 N 0.89 0.21 -0.59 0.49 1.08 -0.92 0.28 115.11 116.55 1mlf h GLN 8 Ca 0.35 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.56 1mlf h GLN 8 Cb 0.23 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1mlf h GLN 8 CO -0.12 0.23 0.39 -0.07 -0.95 0.00 0.00 178.83 178.30 1mlf h LEU 9 N 0.15 0.57 -0.05 1.46 3.38 -1.03 0.76 115.31 120.54 1mlf h LEU 9 Ca 0.05 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 1mlf h LEU 9 Cb 0.08 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1mlf h LEU 9 CO -0.01 0.39 -0.77 0.58 0.09 0.00 0.00 178.44 178.72 1mlf h VAL 10 N 0.66 1.33 0.00 1.22 2.07 -0.79 -2.68 116.25 118.06 1mlf h VAL 10 Ca 0.24 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1mlf h VAL 10 Cb 0.14 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1mlf h VAL 10 CO -0.07 0.63 0.00 0.18 0.02 0.00 0.00 177.57 178.33 1mlf n LEU 11 N -4.04 0.49 0.07 2.57 4.77 0.92 -1.63 117.00 120.15 1mlf n LEU 11 Ca -0.10 0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 1mlf n LEU 11 Cb 0.75 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1mlf n LEU 11 CO 0.51 -0.13 0.02 -0.74 -1.33 0.00 0.00 177.39 175.72 1mlf h HIS 12 N 0.00 0.84 0.00 -1.77 2.76 -0.67 -2.10 115.15 114.21 1mlf h HIS 12 Ca 0.00 -0.53 -0.17 0.00 -2.20 0.00 0.00 60.37 57.47 1mlf h HIS 12 Cb 0.63 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 1mlf h HIS 12 CO 0.00 1.38 -0.81 -0.24 -1.30 0.00 0.00 177.93 176.96 1mlf h VAL 13 N 0.06 1.47 -0.63 5.26 3.04 -1.28 -3.07 116.25 121.10 1mlf h VAL 13 Ca -0.16 -2.90 -0.02 0.00 -1.01 0.00 0.00 66.70 62.62 1mlf h VAL 13 Cb 1.74 2.61 -0.03 0.00 -2.01 0.00 0.00 31.29 33.60 1mlf h VAL 13 CO 0.20 0.80 0.32 -0.25 -1.01 0.00 0.00 177.57 177.63 1mlf h TRP 14 N 0.00 0.87 0.00 3.17 2.91 -1.24 -0.68 115.95 120.98 1mlf h TRP 14 Ca -0.01 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 1mlf h TRP 14 Cb 1.54 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.92 1mlf h TRP 14 CO 0.00 0.63 -0.01 0.00 -1.03 0.00 0.00 178.44 178.02 1mlf h ALA 15 N 1.47 1.76 -0.01 2.65 0.00 -1.28 -0.52 119.26 123.34 1mlf h ALA 15 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1mlf h ALA 15 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mlf h ALA 15 CO -0.03 0.02 -0.17 0.87 0.00 0.00 0.00 179.25 179.94 1mlf h LYS 16 N 0.00 0.12 -0.70 0.00 1.79 -1.21 -3.20 116.57 113.37 1mlf h LYS 16 Ca -0.00 -0.12 0.15 0.00 -2.18 0.00 0.00 60.65 58.50 1mlf h LYS 16 Cb 0.03 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 30.60 1mlf h LYS 16 CO 0.00 0.86 0.13 0.28 -1.08 0.00 0.00 179.45 179.64 1mlf h VAL 17 N -0.57 0.50 0.00 0.50 2.07 -0.84 -2.37 116.25 115.54 1mlf h VAL 17 Ca -0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mlf h VAL 17 Cb 0.91 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1mlf h VAL 17 CO 0.03 0.04 0.00 -0.62 0.02 0.00 0.00 177.57 177.04 1mlf n GLU 18 N -5.19 0.01 0.21 1.57 1.02 -0.25 -1.18 120.64 116.82 1mlf n GLU 18 Ca 0.13 0.42 0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1mlf n GLU 18 Cb 0.43 -1.50 0.46 0.00 -0.02 0.00 0.00 31.44 30.81 1mlf n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mlf h ALA 19 N 2.13 1.00 -1.15 0.62 0.00 -1.42 -3.36 119.26 117.08 1mlf h ALA 19 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1mlf h ALA 19 Cb 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.58 1mlf h ALA 19 CO 0.00 0.00 -0.81 -3.47 0.00 0.00 0.00 179.25 174.97 1mlf n ASP 20 N -2.79 -1.34 -0.10 0.00 2.03 -0.33 -5.01 116.55 109.01 1mlf n ASP 20 Ca 0.03 -2.93 -0.08 0.00 0.52 0.00 0.00 54.79 52.32 1mlf n ASP 20 Cb 0.37 0.51 -0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1mlf n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mlf h VAL 21 N 2.76 1.04 -0.69 5.18 2.07 -1.70 -2.17 116.25 122.74 1mlf h VAL 21 Ca -0.01 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1mlf h VAL 21 Cb 0.96 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1mlf h VAL 21 CO 0.37 0.08 0.27 0.00 0.02 0.00 0.00 177.57 178.31 1mlf h ALA 22 N 1.15 1.19 -0.35 1.67 0.00 -1.91 0.09 119.26 121.09 1mlf h ALA 22 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1mlf h ALA 22 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1mlf h ALA 22 CO -0.06 0.59 0.03 0.78 0.00 0.00 0.00 179.25 180.59 1mlf h GLY 23 N 1.07 0.65 0.93 0.00 0.00 -1.90 -1.83 103.07 101.99 1mlf h GLY 23 Ca 0.23 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1mlf h GLY 23 CO -0.02 0.43 0.14 0.45 0.00 0.00 0.00 176.54 177.53 1mlf h HIS 24 N 0.43 0.54 -0.76 5.60 3.86 -1.24 -2.14 115.15 121.43 1mlf h HIS 24 Ca 0.10 -0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.38 1mlf h HIS 24 Cb 0.41 -0.16 -0.08 0.00 1.06 0.00 0.00 27.41 28.64 1mlf h HIS 24 CO 0.03 0.51 0.39 0.78 0.86 0.00 0.00 177.93 180.50 1mlf h GLY 25 N 0.42 1.18 0.84 2.45 0.00 -0.89 -1.66 103.07 105.42 1mlf h GLY 25 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1mlf h GLY 25 CO -0.01 0.05 -0.41 1.46 0.00 0.00 0.00 176.54 177.63 1mlf h GLN 26 N 0.64 -1.00 -0.55 4.80 4.20 -1.27 -2.35 115.11 119.58 1mlf h GLN 26 Ca 0.38 0.07 0.11 0.00 0.06 0.00 0.00 58.65 59.27 1mlf h GLN 26 Cb 0.43 0.23 -0.10 0.00 0.30 0.00 0.00 27.48 28.34 1mlf h GLN 26 CO -0.29 -0.66 -0.06 -0.44 -0.67 0.00 0.00 178.83 176.71 1mlf h ASP 27 N -1.03 -0.36 0.02 1.46 5.19 -1.30 -1.55 116.42 118.85 1mlf h ASP 27 Ca -0.09 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1mlf h ASP 27 Cb 0.83 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1mlf h ASP 27 CO 0.09 -0.14 -0.01 0.40 -3.12 0.00 0.00 179.24 176.47 1mlf h ILE 28 N 0.06 1.05 -0.41 0.35 2.04 -1.32 -1.43 117.51 117.84 1mlf h ILE 28 Ca 0.28 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 1mlf h ILE 28 Cb 0.43 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1mlf h ILE 28 CO -0.51 0.05 -0.02 -0.07 0.00 0.00 0.00 178.15 177.59 1mlf h LEU 29 N -0.11 0.63 -0.09 1.44 3.38 -1.26 -0.73 115.31 118.56 1mlf h LEU 29 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1mlf h LEU 29 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1mlf h LEU 29 CO 0.00 0.72 -0.01 0.40 0.09 0.00 0.00 178.44 179.64 1mlf h ILE 30 N 0.62 1.27 -0.57 1.22 2.04 -1.31 0.43 117.51 121.22 1mlf h ILE 30 Ca 0.12 -0.87 0.11 0.00 1.00 0.00 0.00 64.86 65.23 1mlf h ILE 30 Cb 0.43 1.67 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 1mlf h ILE 30 CO 0.02 0.25 0.03 -0.09 0.00 0.00 0.00 178.15 178.36 1mlf h ARG 31 N -0.13 0.15 0.19 2.37 9.65 -1.11 0.45 114.38 125.95 1mlf h ARG 31 Ca 0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1mlf h ARG 31 Cb 0.39 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 1mlf h ARG 31 CO 0.01 0.10 -0.19 1.25 2.80 0.00 0.00 179.97 183.94 1mlf h LEU 32 N 0.15 -0.49 -1.12 3.80 5.85 -0.73 0.12 115.31 122.89 1mlf h LEU 32 Ca 0.30 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 1mlf h LEU 32 Cb 0.46 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1mlf h LEU 32 CO -0.46 -0.28 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.08 1mlf h PHE 33 N -0.41 0.62 -0.06 1.25 0.04 -0.62 0.17 116.94 117.93 1mlf h PHE 33 Ca -0.00 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 1mlf h PHE 33 Cb 0.38 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1mlf h PHE 33 CO -0.14 0.61 -0.11 0.87 -0.60 0.00 0.00 178.31 178.94 1mlf h LYS 34 N 0.56 0.18 -0.21 1.51 1.57 0.35 -3.02 116.57 117.50 1mlf h LYS 34 Ca 0.11 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mlf h LYS 34 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1mlf h LYS 34 CO 0.02 0.68 0.12 0.77 -0.57 0.00 0.00 179.45 180.47 1mlf h SER 35 N -0.31 0.26 -3.23 0.86 0.02 -0.57 -3.39 113.55 107.20 1mlf h SER 35 Ca 0.00 -0.08 -0.61 0.00 -0.84 0.00 0.00 61.79 60.26 1mlf h SER 35 Cb 0.67 -0.07 -0.41 0.00 0.14 0.00 0.00 62.40 62.74 1mlf h SER 35 CO 0.02 0.27 -0.70 -1.00 -1.14 0.00 0.00 176.83 174.28 1mlf s HIS 36 N -5.89 2.65 0.45 3.45 3.76 0.58 -4.99 115.29 115.30 1mlf s HIS 36 Ca -0.13 -2.90 0.40 0.00 -0.15 0.00 0.00 55.06 52.28 1mlf s HIS 36 Cb 0.08 -2.18 2.02 0.00 1.11 0.00 0.00 32.58 33.61 1mlf s HIS 36 CO 0.70 -0.68 2.22 -1.35 -0.85 0.00 0.00 174.74 174.78 1mlf h PRO 37 N 5.92 0.00 0.00 8.40 0.11 -1.72 0.71 132.00 145.42 1mlf h PRO 37 Ca 0.10 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1mlf h PRO 37 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1mlf h PRO 37 CO 0.59 0.00 -0.28 1.05 -0.21 0.00 0.00 178.00 179.15 1mlf h GLU 38 N 0.00 0.00 -0.10 1.05 9.09 -1.92 -1.27 114.58 121.43 1mlf h GLU 38 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1mlf h GLU 38 Cb 0.20 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.29 1mlf h GLU 38 CO 0.00 0.28 -0.16 1.79 0.05 0.00 0.00 179.01 180.97 1mlf h THR 39 N 0.00 1.17 0.00 -1.06 1.35 -1.19 -2.65 112.91 110.54 1mlf h THR 39 Ca -0.00 -0.77 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1mlf h THR 39 Cb 0.55 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1mlf h THR 39 CO 0.04 0.23 -0.02 0.25 -0.25 0.00 0.00 175.52 175.77 1mlf h LEU 40 N 0.15 0.00 -1.45 3.87 5.85 -1.38 -2.01 115.31 120.35 1mlf h LEU 40 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1mlf h LEU 40 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1mlf h LEU 40 CO 0.02 0.02 0.00 -0.33 -0.34 0.00 0.00 178.44 177.81 1mlf h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.56 -1.64 114.58 117.71 1mlf h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mlf h GLU 41 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1mlf h GLU 41 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1mlf n LYS 42 N -2.59 0.21 -3.50 2.33 4.76 -0.75 -4.52 118.16 114.09 1mlf n LYS 42 Ca 0.00 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 1mlf n LYS 42 Cb 0.17 -1.76 -0.10 0.00 -1.84 0.00 0.00 35.03 31.50 1mlf n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mlf s PHE 43 N -3.12 3.24 -0.06 2.13 0.40 -0.61 -4.91 117.98 115.05 1mlf s PHE 43 Ca 0.10 -0.72 0.23 0.00 -0.60 0.00 0.00 56.93 55.94 1mlf s PHE 43 Cb 0.13 -2.56 0.66 0.00 0.51 0.00 0.00 43.02 41.75 1mlf s PHE 43 CO 0.54 -0.62 1.71 -0.44 0.70 0.00 0.00 175.22 177.12 1mlf h ASP 44 N 8.57 0.00 1.19 1.36 5.19 -1.84 0.60 116.42 131.49 1mlf h ASP 44 Ca -0.26 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.04 1mlf h ASP 44 Cb 1.11 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 1mlf h ASP 44 CO 0.71 0.21 -0.50 -0.09 -3.12 0.00 0.00 179.24 176.46 1mlf h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.94 -3.36 114.38 115.07 1mlf h ARG 45 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1mlf h ARG 45 Cb 0.92 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1mlf h ARG 45 CO 0.03 0.50 -1.36 1.19 -1.51 0.00 0.00 179.97 178.82 1mlf n PHE 46 N -3.36 0.00 -0.12 2.20 3.72 -0.25 -4.76 117.46 114.89 1mlf n PHE 46 Ca 0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 1mlf n PHE 46 Cb 0.67 -0.20 0.11 0.00 -0.94 0.00 0.00 39.48 39.11 1mlf n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mlf n LYS 47 N -1.88 -0.03 0.10 -1.08 4.81 0.04 -1.64 118.16 118.49 1mlf n LYS 47 Ca -0.04 0.51 0.10 0.00 -0.87 0.00 0.00 58.31 58.01 1mlf n LYS 47 Cb 0.32 -0.81 0.44 0.00 0.02 0.00 0.00 35.03 35.00 1mlf n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1mlf n HIS 48 N -4.23 0.58 -1.76 5.64 1.44 -1.26 -4.89 115.22 110.74 1mlf n HIS 48 Ca 0.09 0.24 -0.42 0.00 -2.01 0.00 0.00 57.72 55.61 1mlf n HIS 48 Cb 0.28 -0.88 -0.03 0.00 0.12 0.00 0.00 29.99 29.48 1mlf n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mlf s LEU 49 N -4.08 4.38 -0.14 2.39 1.43 -0.65 -4.91 118.68 117.09 1mlf s LEU 49 Ca 0.04 2.80 0.17 0.00 -1.03 0.00 0.00 54.13 56.11 1mlf s LEU 49 Cb 0.09 -3.59 -0.24 0.00 0.03 0.00 0.00 46.19 42.48 1mlf s LEU 49 CO 0.33 -0.96 0.14 0.29 0.23 0.00 0.00 176.35 176.38 1mlf n LYS 50 N 4.38 0.98 -4.41 1.70 5.02 -1.26 -4.99 118.16 119.58 1mlf n LYS 50 Ca 0.16 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.20 1mlf n LYS 50 Cb 0.36 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1mlf n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mlf s THR 51 N -2.62 0.74 -0.07 -0.18 -4.23 -1.26 -5.02 115.64 103.00 1mlf s THR 51 Ca -0.08 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.67 1mlf s THR 51 Cb 0.07 -2.60 0.27 0.00 1.34 0.00 0.00 72.50 71.58 1mlf s THR 51 CO 0.75 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.49 1mlf h GLU 52 N 2.12 0.00 -0.05 3.99 4.81 -1.99 -1.13 114.58 122.34 1mlf h GLU 52 Ca -0.38 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.64 1mlf h GLU 52 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1mlf h GLU 52 CO 0.61 0.16 -0.86 0.00 -0.73 0.00 0.00 179.01 178.20 1mlf h ALA 53 N 1.84 0.42 -0.42 2.92 0.00 -1.99 0.48 119.26 122.51 1mlf h ALA 53 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1mlf h ALA 53 Cb 0.87 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1mlf h ALA 53 CO 0.02 0.77 0.11 0.93 0.00 0.00 0.00 179.25 181.09 1mlf h GLU 54 N 0.30 0.67 -0.42 0.00 5.08 -1.65 -2.32 114.58 116.23 1mlf h GLU 54 Ca -0.06 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1mlf h GLU 54 Cb 1.47 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1mlf h GLU 54 CO 0.15 0.67 0.20 0.52 -1.00 0.00 0.00 179.01 179.55 1mlf h MET 55 N 0.54 0.39 -0.91 2.33 2.86 -0.94 -2.36 114.93 116.83 1mlf h MET 55 Ca 0.13 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.84 1mlf h MET 55 Cb 0.29 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 1mlf h MET 55 CO -0.00 0.26 0.59 0.87 1.06 0.00 0.00 176.91 179.68 1mlf h LYS 56 N 0.40 0.94 -0.01 1.72 1.57 -0.77 -2.21 116.57 118.21 1mlf h LYS 56 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1mlf h LYS 56 Cb 0.12 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1mlf h LYS 56 CO -0.15 0.62 -0.04 0.00 -0.57 0.00 0.00 179.45 179.32 1mlf n ALA 57 N -2.40 2.67 -2.63 3.86 0.00 -0.88 -4.81 120.51 116.33 1mlf n ALA 57 Ca 0.15 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1mlf n ALA 57 Cb 0.26 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 1mlf n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mlf s SER 58 N -2.11 6.84 0.14 0.00 0.15 -0.83 -4.88 113.70 113.00 1mlf s SER 58 Ca 0.38 0.87 -0.14 0.00 0.70 0.00 0.00 55.95 57.77 1mlf s SER 58 Cb 0.21 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1mlf s SER 58 CO 0.38 -0.97 1.60 -0.08 1.20 0.00 0.00 173.24 175.37 1mlf h GLU 59 N 8.41 0.78 -0.17 5.44 4.57 -1.88 -2.47 114.58 129.26 1mlf h GLU 59 Ca -0.21 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 57.75 1mlf h GLU 59 Cb 1.06 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1mlf h GLU 59 CO 1.05 0.82 0.04 -0.44 -1.18 0.00 0.00 179.01 179.31 1mlf h ASP 60 N 0.63 0.04 -0.77 1.04 5.19 -1.97 -0.47 116.42 120.10 1mlf h ASP 60 Ca 0.13 0.02 0.10 0.00 -0.62 0.00 0.00 57.03 56.66 1mlf h ASP 60 Cb 0.45 0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.91 1mlf h ASP 60 CO 0.02 0.05 0.41 0.25 -3.12 0.00 0.00 179.24 176.84 1mlf h LEU 61 N 0.12 0.55 -0.51 1.55 6.46 -1.88 -1.57 115.31 120.02 1mlf h LEU 61 Ca 0.07 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1mlf h LEU 61 Cb 0.06 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1mlf h LEU 61 CO -0.09 0.30 0.08 0.50 -0.62 0.00 0.00 178.44 178.61 1mlf h LYS 62 N 0.68 0.85 -0.87 1.25 3.64 -1.27 -1.53 116.57 119.32 1mlf h LYS 62 Ca 0.38 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1mlf h LYS 62 Cb 0.40 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1mlf h LYS 62 CO -0.27 0.85 0.48 0.87 -2.27 0.00 0.00 179.45 179.10 1mlf h LYS 63 N 0.73 1.21 -0.32 1.90 1.57 -0.87 -2.75 116.57 118.04 1mlf h LYS 63 Ca 0.15 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1mlf h LYS 63 Cb 0.41 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1mlf h LYS 63 CO 0.01 0.88 -0.22 1.25 -0.57 0.00 0.00 179.45 180.81 1mlf h HIS 64 N 1.22 0.68 -0.19 -1.35 2.76 -0.92 -1.76 115.15 115.59 1mlf h HIS 64 Ca 0.31 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1mlf h HIS 64 Cb 0.02 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 1mlf h HIS 64 CO 0.01 0.78 0.05 0.78 -1.30 0.00 0.00 177.93 178.25 1mlf h GLY 65 N 0.99 0.28 0.93 5.26 0.00 -1.11 -0.43 103.07 108.99 1mlf h GLY 65 Ca 0.08 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1mlf h GLY 65 CO 0.05 0.12 -0.28 -2.08 0.00 0.00 0.00 176.54 174.35 1mlf h VAL 66 N 0.26 1.31 0.25 4.60 2.07 -1.12 -0.48 116.25 123.15 1mlf h VAL 66 Ca 0.07 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.14 1mlf h VAL 66 Cb 0.10 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1mlf h VAL 66 CO -0.00 0.46 -0.29 0.74 0.02 0.00 0.00 177.57 178.49 1mlf h THR 67 N 0.35 0.38 -0.16 2.57 2.02 -1.01 -0.23 112.91 116.83 1mlf h THR 67 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1mlf h THR 67 Cb 0.84 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1mlf h THR 67 CO 0.07 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.91 1mlf h ALA 68 N 0.02 0.10 -0.71 6.16 0.00 -1.02 -2.39 119.26 121.41 1mlf h ALA 68 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1mlf h ALA 68 Cb 0.56 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1mlf h ALA 68 CO -0.09 -0.49 0.16 -0.07 0.00 0.00 0.00 179.25 178.77 1mlf h LEU 69 N -0.01 1.09 -0.45 0.00 3.38 -1.04 -1.95 115.31 116.32 1mlf h LEU 69 Ca 0.08 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1mlf h LEU 69 Cb 0.13 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1mlf h LEU 69 CO -0.17 1.04 0.21 0.74 0.09 0.00 0.00 178.44 180.36 1mlf h THR 70 N 1.08 0.95 -0.46 0.22 2.02 -0.98 -0.19 112.91 115.55 1mlf h THR 70 Ca 0.22 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1mlf h THR 70 Cb 0.39 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1mlf h THR 70 CO 0.00 0.08 0.25 0.00 0.37 0.00 0.00 175.52 176.22 1mlf h ALA 71 N 1.25 0.58 -0.27 6.16 0.00 -1.18 -1.61 119.26 124.18 1mlf h ALA 71 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1mlf h ALA 71 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mlf h ALA 71 CO -0.15 -0.08 0.18 1.25 0.00 0.00 0.00 179.25 180.44 1mlf h LEU 72 N 0.50 0.30 -0.89 0.00 5.85 -1.25 -2.66 115.31 117.17 1mlf h LEU 72 Ca 0.19 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1mlf h LEU 72 Cb 0.06 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1mlf h LEU 72 CO -0.11 0.22 0.54 1.23 -0.34 0.00 0.00 178.44 179.98 1mlf h GLY 73 N 0.36 1.37 2.00 3.75 0.00 -0.90 0.38 103.07 110.04 1mlf h GLY 73 Ca 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1mlf h GLY 73 CO -0.03 0.21 -0.13 0.00 0.00 0.00 0.00 176.54 176.59 1mlf h ALA 74 N 1.45 1.05 0.20 3.60 0.00 -1.03 -1.76 119.26 122.77 1mlf h ALA 74 Ca 0.41 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 1mlf h ALA 74 Cb 0.28 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1mlf h ALA 74 CO -0.21 0.17 -1.23 0.82 0.00 0.00 0.00 179.25 178.79 1mlf h ILE 75 N 0.00 1.34 -0.21 0.00 2.04 -0.92 -3.05 117.51 116.71 1mlf h ILE 75 Ca -0.00 -2.61 -0.11 0.00 1.00 0.00 0.00 64.86 63.13 1mlf h ILE 75 Cb 0.60 3.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1mlf h ILE 75 CO 0.02 0.77 -0.35 -0.07 0.00 0.00 0.00 178.15 178.51 1mlf h LEU 76 N -0.08 0.48 -1.43 1.44 3.38 -0.69 -1.86 115.31 116.54 1mlf h LEU 76 Ca -0.22 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1mlf h LEU 76 Cb 1.94 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1mlf h LEU 76 CO 0.21 0.80 0.00 0.11 0.09 0.00 0.00 178.44 179.65 1mlf h LYS 77 N 0.39 0.00 0.00 1.13 1.57 -1.29 -1.81 116.57 116.56 1mlf h LYS 77 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1mlf h LYS 77 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1mlf h LYS 77 CO 0.07 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.82 1mlf h LYS 78 N 0.00 0.00 -5.85 3.15 1.79 -1.22 -3.48 116.57 110.95 1mlf h LYS 78 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1mlf h LYS 78 Cb 0.38 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.15 1mlf h LYS 78 CO 0.00 0.00 -0.73 1.63 -1.08 0.00 0.00 179.45 179.27 1mlf n LYS 79 N -3.00 -6.99 0.00 3.15 5.02 -0.68 -1.83 118.16 113.83 1mlf n LYS 79 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1mlf n LYS 79 Cb 0.27 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.51 1mlf n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mlf n GLY 80 N -1.64 3.42 2.85 0.72 0.00 -1.26 -4.96 105.19 104.32 1mlf n GLY 80 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1mlf n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mlf n HIS 81 N -1.79 2.75 -0.35 1.61 8.25 -0.76 -4.64 115.22 120.29 1mlf n HIS 81 Ca 0.00 -2.74 0.03 0.00 -0.26 0.00 0.00 57.72 54.75 1mlf n HIS 81 Cb 0.00 -1.79 0.05 0.00 1.12 0.00 0.00 29.99 29.37 1mlf n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mlf n HIS 82 N 3.13 0.03 -0.32 4.41 1.44 -1.26 -4.69 115.22 117.96 1mlf n HIS 82 Ca 0.39 -0.66 0.14 0.00 -2.01 0.00 0.00 57.72 55.59 1mlf n HIS 82 Cb 0.34 -0.08 0.33 0.00 0.12 0.00 0.00 29.99 30.70 1mlf n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1mlf h GLU 83 N 0.11 0.46 -0.46 -1.40 9.09 -2.00 -0.97 114.58 119.41 1mlf h GLU 83 Ca 0.00 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.33 1mlf h GLU 83 Cb 0.68 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.65 1mlf h GLU 83 CO 0.00 0.31 0.10 0.00 0.05 0.00 0.00 179.01 179.47 1mlf h ALA 84 N 1.71 0.61 -0.59 1.06 0.00 -2.00 -2.67 119.26 117.37 1mlf h ALA 84 Ca 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1mlf h ALA 84 Cb 1.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1mlf h ALA 84 CO -0.50 0.30 0.29 0.93 0.00 0.00 0.00 179.25 180.28 1mlf h GLU 85 N 0.62 0.83 0.00 0.00 3.07 -1.77 -3.14 114.58 114.19 1mlf h GLU 85 Ca 0.14 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 58.83 1mlf h GLU 85 Cb 0.34 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1mlf h GLU 85 CO 0.00 0.64 -0.35 1.25 -1.40 0.00 0.00 179.01 179.15 1mlf h LEU 86 N 0.83 0.00 0.57 1.33 5.85 -0.86 -3.36 115.31 119.68 1mlf h LEU 86 Ca 0.21 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1mlf h LEU 86 Cb 0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1mlf h LEU 86 CO -0.03 0.35 -0.36 0.11 -0.34 0.00 0.00 178.44 178.17 1mlf h LYS 87 N 0.00 -0.84 0.00 1.25 1.57 -1.46 -0.96 116.57 116.14 1mlf h LYS 87 Ca -0.00 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1mlf h LYS 87 Cb 0.75 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1mlf h LYS 87 CO 0.05 -0.56 -0.05 -1.00 -0.57 0.00 0.00 179.45 177.32 1mlf h PRO 88 N -0.87 0.00 0.08 3.15 0.13 -1.76 -1.65 132.00 131.07 1mlf h PRO 88 Ca -0.08 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.81 1mlf h PRO 88 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1mlf h PRO 88 CO 0.07 0.05 -1.14 1.25 -0.23 0.00 0.00 178.00 178.00 1mlf h LEU 89 N 0.00 0.29 -0.20 1.56 5.85 -1.65 -2.20 115.31 118.96 1mlf h LEU 89 Ca -0.00 -0.31 -0.19 0.00 0.84 0.00 0.00 57.88 58.22 1mlf h LEU 89 Cb 0.15 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1mlf h LEU 89 CO 0.01 1.22 -0.91 0.00 -0.34 0.00 0.00 178.44 178.42 1mlf h ALA 90 N 0.74 0.50 -0.23 1.25 0.00 -0.91 -1.89 119.26 118.71 1mlf h ALA 90 Ca -0.09 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 53.86 1mlf h ALA 90 Cb 1.87 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1mlf h ALA 90 CO 0.18 1.09 -0.44 0.37 0.00 0.00 0.00 179.25 180.44 1mlf h GLN 91 N 0.02 0.70 -0.02 0.00 4.15 -1.18 -0.78 115.11 117.99 1mlf h GLN 91 Ca -0.02 -0.45 -0.22 0.00 0.77 0.00 0.00 58.65 58.73 1mlf h GLN 91 Cb 1.59 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1mlf h GLN 91 CO 0.12 1.07 -0.90 0.66 -1.93 0.00 0.00 178.83 177.85 1mlf h SER 92 N 0.41 0.55 0.36 -0.69 4.64 -1.39 -1.70 113.55 115.73 1mlf h SER 92 Ca 0.01 -0.42 -0.18 0.00 -0.47 0.00 0.00 61.79 60.73 1mlf h SER 92 Cb 1.04 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1mlf h SER 92 CO 0.10 1.21 -0.73 0.45 -0.87 0.00 0.00 176.83 176.99 1mlf h HIS 93 N 0.26 0.43 0.14 4.77 3.86 -1.30 0.21 115.15 123.51 1mlf h HIS 93 Ca -0.07 -0.19 -0.29 0.00 -1.16 0.00 0.00 60.37 58.66 1mlf h HIS 93 Cb 1.52 -0.06 0.02 0.00 1.06 0.00 0.00 27.41 29.95 1mlf h HIS 93 CO 0.06 0.94 -1.27 0.00 0.86 0.00 0.00 177.93 178.52 1mlf h ALA 94 N 1.01 0.04 0.00 2.45 0.00 -1.13 0.10 119.26 121.73 1mlf h ALA 94 Ca -0.03 -0.83 -0.35 0.00 0.00 0.00 0.00 54.91 53.71 1mlf h ALA 94 Cb 1.30 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1mlf h ALA 94 CO 0.12 0.81 -2.32 2.41 0.00 0.00 0.00 179.25 180.28 1mlf n THR 95 N -3.67 1.32 -0.09 0.00 -1.04 -0.64 -3.46 114.28 106.69 1mlf n THR 95 Ca -0.12 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.10 1mlf n THR 95 Cb 1.01 -1.17 -0.12 0.00 -1.82 0.00 0.00 70.33 68.23 1mlf n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1mlf n LYS 96 N -3.09 0.62 0.04 -2.82 4.81 -0.40 -4.66 118.16 112.66 1mlf n LYS 96 Ca -0.39 0.40 -0.16 0.00 -0.87 0.00 0.00 58.31 57.29 1mlf n LYS 96 Cb 0.97 -1.65 -0.14 0.00 0.02 0.00 0.00 35.03 34.23 1mlf n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mlf h HIS 97 N -0.70 0.36 -4.26 5.64 -0.00 -1.17 -3.49 115.15 111.53 1mlf h HIS 97 Ca -0.48 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 59.63 1mlf h HIS 97 Cb 1.58 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.98 1mlf h HIS 97 CO 0.04 1.37 -0.04 1.63 -0.00 0.00 0.00 177.93 180.93 1mlf n LYS 98 N -3.38 -0.78 -3.86 2.45 4.01 -0.03 -4.99 118.16 111.58 1mlf n LYS 98 Ca -0.19 1.08 -0.36 0.00 -0.51 0.00 0.00 58.31 58.34 1mlf n LYS 98 Cb 1.04 -3.77 -0.13 0.00 -0.51 0.00 0.00 35.03 31.65 1mlf n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mlf s ILE 99 N -2.84 3.40 0.67 -0.18 -1.09 0.16 -5.01 121.20 116.30 1mlf s ILE 99 Ca 0.02 -0.92 -0.17 0.00 -2.23 0.00 0.00 60.65 57.35 1mlf s ILE 99 Cb -0.01 -2.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.11 1mlf s ILE 99 CO 0.40 0.10 1.21 -2.16 -1.23 0.00 0.00 174.94 173.26 1mlf s PRO 100 N 1.40 2.53 0.23 2.79 0.04 -1.26 -4.76 135.00 135.97 1mlf s PRO 100 Ca 0.01 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 1mlf s PRO 100 Cb -0.17 -1.88 0.41 0.00 0.04 0.00 0.00 34.50 32.90 1mlf s PRO 100 CO -0.01 -1.54 1.73 0.82 0.04 0.00 0.00 177.00 178.04 1mlf h ILE 101 N 0.22 0.69 -1.11 0.56 1.08 -2.00 0.49 117.51 117.43 1mlf h ILE 101 Ca -0.49 -0.15 0.32 0.00 -0.39 0.00 0.00 64.86 64.15 1mlf h ILE 101 Cb 1.30 0.21 -0.11 0.00 -3.07 0.00 0.00 36.82 35.15 1mlf h ILE 101 CO 0.52 0.08 0.70 0.50 -0.69 0.00 0.00 178.15 179.27 1mlf h LYS 102 N 0.44 0.30 -0.07 2.37 1.63 -2.00 -1.66 116.57 117.58 1mlf h LYS 102 Ca 0.39 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 60.03 1mlf h LYS 102 Cb 0.55 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1mlf h LYS 102 CO -0.38 0.20 -0.57 1.88 -3.45 0.00 0.00 179.45 177.13 1mlf h TYR 103 N 0.31 0.29 0.00 1.91 -1.99 -1.25 -2.12 116.97 114.13 1mlf h TYR 103 Ca 0.68 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 61.24 1mlf h TYR 103 Cb 1.80 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 40.47 1mlf h TYR 103 CO -0.00 0.75 -0.27 -0.07 -0.00 0.00 0.00 178.16 178.57 1mlf h LEU 104 N 0.18 0.00 -0.19 3.88 3.38 -1.28 -1.87 115.31 119.41 1mlf h LEU 104 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1mlf h LEU 104 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1mlf h LEU 104 CO 0.09 0.27 -0.30 -0.33 0.09 0.00 0.00 178.44 178.25 1mlf h GLU 105 N 0.00 0.55 -0.51 1.13 5.08 -0.83 -1.63 114.58 118.38 1mlf h GLU 105 Ca -0.00 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1mlf h GLU 105 Cb 0.64 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1mlf h GLU 105 CO 0.03 0.93 0.25 0.74 -1.00 0.00 0.00 179.01 179.97 1mlf h PHE 106 N 0.21 0.45 -0.11 4.33 0.04 -1.17 -1.83 116.94 118.86 1mlf h PHE 106 Ca 0.02 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 1mlf h PHE 106 Cb 0.89 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 1mlf h PHE 106 CO 0.09 0.22 -0.44 0.97 -0.60 0.00 0.00 178.31 178.54 1mlf h ILE 107 N 0.49 1.32 -0.99 -0.55 2.10 -1.30 -2.03 117.51 116.55 1mlf h ILE 107 Ca 0.22 -1.59 0.06 0.00 1.08 0.00 0.00 64.86 64.63 1mlf h ILE 107 Cb 0.14 1.73 -0.06 0.00 -1.09 0.00 0.00 36.82 37.54 1mlf h ILE 107 CO -0.16 0.48 0.64 0.28 -1.08 0.00 0.00 178.15 178.30 1mlf h SER 108 N 0.20 1.04 -0.51 2.19 0.02 -0.87 0.06 113.55 115.68 1mlf h SER 108 Ca 0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1mlf h SER 108 Cb 0.86 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1mlf h SER 108 CO 0.07 0.67 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.29 1mlf h GLU 109 N 1.18 0.95 -0.55 3.45 4.81 -0.98 -1.90 114.58 121.54 1mlf h GLU 109 Ca 0.42 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1mlf h GLU 109 Cb 0.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1mlf h GLU 109 CO -0.16 0.99 0.07 0.00 -0.73 0.00 0.00 179.01 179.19 1mlf h ALA 110 N 0.92 1.08 -0.14 2.92 0.00 -0.87 -0.77 119.26 122.41 1mlf h ALA 110 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1mlf h ALA 110 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mlf h ALA 110 CO 0.04 0.59 0.05 0.82 0.00 0.00 0.00 179.25 180.75 1mlf h ILE 111 N 0.84 1.17 -0.29 0.00 2.04 -0.57 -1.47 117.51 119.24 1mlf h ILE 111 Ca 0.17 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1mlf h ILE 111 Cb 0.40 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1mlf h ILE 111 CO 0.01 0.16 0.12 0.40 0.00 0.00 0.00 178.15 178.84 1mlf h ILE 112 N 0.04 1.11 -0.03 -0.67 2.04 -1.27 -0.98 117.51 117.76 1mlf h ILE 112 Ca 0.04 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1mlf h ILE 112 Cb 0.21 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1mlf h ILE 112 CO -0.00 0.13 -0.01 -0.74 0.00 0.00 0.00 178.15 177.54 1mlf h HIS 113 N 0.41 0.07 -0.34 1.37 2.76 -0.88 -0.73 115.15 117.80 1mlf h HIS 113 Ca 0.10 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 1mlf h HIS 113 Cb 0.08 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1mlf h HIS 113 CO 0.00 0.40 0.04 0.28 -1.30 0.00 0.00 177.93 177.35 1mlf h VAL 114 N -0.28 1.24 -0.77 5.26 2.07 -1.03 -1.14 116.25 121.59 1mlf h VAL 114 Ca 0.01 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1mlf h VAL 114 Cb 0.37 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1mlf h VAL 114 CO 0.00 0.29 0.47 -0.07 0.02 0.00 0.00 177.57 178.28 1mlf h LEU 115 N 0.40 0.92 -0.52 2.57 3.38 -1.06 -0.23 115.31 120.77 1mlf h LEU 115 Ca 0.10 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1mlf h LEU 115 Cb 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1mlf h LEU 115 CO 0.01 0.70 0.29 -0.74 0.09 0.00 0.00 178.44 178.79 1mlf h HIS 116 N 1.05 0.53 -0.08 1.13 2.76 -0.92 -0.73 115.15 118.89 1mlf h HIS 116 Ca 0.28 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1mlf h HIS 116 Cb -0.05 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.74 1mlf h HIS 116 CO -0.01 0.28 0.01 0.77 -1.30 0.00 0.00 177.93 177.68 1mlf h SER 117 N 0.56 0.12 0.84 3.26 0.02 -0.81 -3.31 113.55 114.23 1mlf h SER 117 Ca 0.22 -0.25 -0.23 0.00 -0.84 0.00 0.00 61.79 60.69 1mlf h SER 117 Cb 0.08 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1mlf h SER 117 CO -0.13 0.35 -1.07 0.03 -1.14 0.00 0.00 176.83 174.87 1mlf h ARG 118 N -0.11 0.11 -2.24 3.45 3.08 -1.02 -3.40 114.38 114.24 1mlf h ARG 118 Ca 0.02 -0.17 -0.58 0.00 0.07 0.00 0.00 59.98 59.32 1mlf h ARG 118 Cb 0.27 0.06 -0.42 0.00 0.08 0.00 0.00 29.97 29.97 1mlf h ARG 118 CO 0.00 1.07 -0.70 0.72 -1.07 0.00 0.00 179.97 179.99 1mlf n HIS 119 N -3.44 3.65 0.22 3.04 8.25 -0.29 -4.93 115.22 121.72 1mlf n HIS 119 Ca -0.03 -3.96 0.07 0.00 -0.26 0.00 0.00 57.72 53.54 1mlf n HIS 119 Cb 0.95 -0.47 0.52 0.00 1.12 0.00 0.00 29.99 32.11 1mlf n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mlf h PRO 120 N 2.97 0.00 0.00 -0.41 0.13 -1.74 0.36 132.00 133.32 1mlf h PRO 120 Ca 0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 1mlf h PRO 120 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1mlf h PRO 120 CO 0.79 0.23 -0.59 0.78 -0.23 0.00 0.00 178.00 178.99 1mlf h GLY 121 N 0.95 0.00 -1.90 1.56 0.00 -1.92 -2.90 103.07 98.86 1mlf h GLY 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mlf h GLY 121 CO 0.03 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.27 1mlf n ASN 122 N -3.30 3.64 -2.64 0.19 3.02 -0.05 -4.70 115.26 111.42 1mlf n ASN 122 Ca 0.01 -2.29 -0.11 0.00 -0.03 0.00 0.00 54.58 52.17 1mlf n ASN 122 Cb 0.74 -0.40 0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1mlf n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mlf n PHE 123 N 0.60 1.57 -0.72 3.10 7.35 -0.23 -4.67 117.46 124.45 1mlf n PHE 123 Ca 0.18 -2.70 -0.07 0.00 -0.76 0.00 0.00 57.45 54.10 1mlf n PHE 123 Cb 0.64 -0.31 0.06 0.00 0.35 0.00 0.00 39.48 40.22 1mlf n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mlf n GLY 124 N -0.24 -2.32 0.20 7.13 0.00 -1.25 -4.62 105.19 104.09 1mlf n GLY 124 Ca 0.15 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 1mlf n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mlf h ALA 125 N -2.14 0.63 -0.60 4.61 0.00 -1.99 0.45 119.26 120.22 1mlf h ALA 125 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1mlf h ALA 125 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1mlf h ALA 125 CO 0.06 -0.04 0.15 -0.44 0.00 0.00 0.00 179.25 178.98 1mlf h ASP 126 N 0.55 0.91 0.00 0.00 3.32 -1.99 -0.83 116.42 118.39 1mlf h ASP 126 Ca 0.20 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 1mlf h ASP 126 Cb 0.05 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1mlf h ASP 126 CO -0.11 0.91 -0.31 0.00 -1.72 0.00 0.00 179.24 178.01 1mlf h ALA 127 N 1.04 1.06 -0.18 3.45 0.00 -1.81 -1.09 119.26 121.74 1mlf h ALA 127 Ca 0.19 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1mlf h ALA 127 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1mlf h ALA 127 CO 0.00 0.58 -0.41 0.37 0.00 0.00 0.00 179.25 179.79 1mlf h GLN 128 N 0.39 0.41 -0.25 0.00 4.15 -0.65 -0.50 115.11 118.66 1mlf h GLN 128 Ca 0.05 -0.20 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 1mlf h GLN 128 Cb 0.73 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1mlf h GLN 128 CO 0.06 0.75 -0.46 0.78 -1.93 0.00 0.00 178.83 178.03 1mlf h GLY 129 N 1.15 0.71 1.28 2.39 0.00 -0.78 0.22 103.07 108.03 1mlf h GLY 129 Ca 0.03 -0.76 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 1mlf h GLY 129 CO 0.07 0.68 -0.40 0.00 0.00 0.00 0.00 176.54 176.89 1mlf h ALA 130 N 0.97 0.68 -0.41 3.60 0.00 -0.79 0.02 119.26 123.33 1mlf h ALA 130 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1mlf h ALA 130 Cb 1.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1mlf h ALA 130 CO 0.09 0.67 0.10 1.98 0.00 0.00 0.00 179.25 182.09 1mlf h MET 131 N 0.64 0.65 -0.39 0.00 -1.53 -0.90 -0.37 114.93 113.04 1mlf h MET 131 Ca 0.05 -0.16 0.03 0.00 -3.44 0.00 0.00 59.70 56.18 1mlf h MET 131 Cb 0.96 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.90 1mlf h MET 131 CO 0.09 0.68 0.20 -0.97 0.14 0.00 0.00 176.91 177.05 1mlf h ASN 132 N 0.52 0.30 -0.59 1.39 -1.24 -0.80 -0.89 115.58 114.27 1mlf h ASN 132 Ca 0.13 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.23 1mlf h ASN 132 Cb 0.32 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.26 1mlf h ASN 132 CO 0.00 0.22 0.25 0.50 -1.29 0.00 0.00 177.43 177.12 1mlf h LYS 133 N 0.41 0.45 -0.77 6.67 3.64 -0.72 0.95 116.57 127.20 1mlf h LYS 133 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1mlf h LYS 133 Cb 0.06 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1mlf h LYS 133 CO -0.11 0.30 0.36 0.00 -2.27 0.00 0.00 179.45 177.72 1mlf h ALA 134 N 1.37 1.17 -0.09 5.00 0.00 -0.71 -1.11 119.26 124.89 1mlf h ALA 134 Ca 0.29 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1mlf h ALA 134 Cb 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mlf h ALA 134 CO -0.25 0.62 -0.79 -0.07 0.00 0.00 0.00 179.25 178.76 1mlf h LEU 135 N 1.11 0.68 -0.54 0.00 3.38 -0.96 -1.44 115.31 117.55 1mlf h LEU 135 Ca 0.27 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1mlf h LEU 135 Cb 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1mlf h LEU 135 CO -0.03 1.24 0.33 -0.33 0.09 0.00 0.00 178.44 179.74 1mlf h GLU 136 N 0.37 0.65 0.30 1.13 5.08 -0.61 -0.51 114.58 120.98 1mlf h GLU 136 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1mlf h GLU 136 Cb 1.40 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1mlf h GLU 136 CO 0.15 0.43 -0.47 1.25 -1.00 0.00 0.00 179.01 179.37 1mlf h LEU 137 N 0.67 -1.34 -0.74 1.33 5.85 -1.13 0.22 115.31 120.17 1mlf h LEU 137 Ca 0.21 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.19 1mlf h LEU 137 Cb -0.01 0.47 -0.13 0.00 0.37 0.00 0.00 40.66 41.36 1mlf h LEU 137 CO -0.08 -0.58 -0.31 0.15 -0.34 0.00 0.00 178.44 177.28 1mlf h PHE 138 N -0.82 -0.84 -0.63 1.25 3.57 -1.11 -1.06 116.94 117.30 1mlf h PHE 138 Ca -0.02 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1mlf h PHE 138 Cb 0.77 0.48 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1mlf h PHE 138 CO -0.32 -0.38 0.34 0.00 -2.23 0.00 0.00 178.31 175.72 1mlf h ARG 139 N -0.08 0.88 -0.59 1.11 3.08 -0.95 0.84 114.38 118.65 1mlf h ARG 139 Ca 0.30 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1mlf h ARG 139 Cb 0.57 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1mlf h ARG 139 CO -0.79 0.67 0.33 -0.22 -1.07 0.00 0.00 179.97 178.89 1mlf h LYS 140 N 0.85 0.83 -0.45 0.04 3.64 -0.73 -0.57 116.57 120.18 1mlf h LYS 140 Ca 0.22 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 1mlf h LYS 140 Cb 0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1mlf h LYS 140 CO -0.03 0.63 -0.24 -0.44 -2.27 0.00 0.00 179.45 177.09 1mlf h ASP 141 N 0.80 0.97 -0.52 4.20 5.19 -0.96 -2.08 116.42 124.02 1mlf h ASP 141 Ca 0.21 -0.37 -0.04 0.00 -0.62 0.00 0.00 57.03 56.20 1mlf h ASP 141 Cb 0.04 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1mlf h ASP 141 CO -0.03 1.15 0.16 0.40 -3.12 0.00 0.00 179.24 177.80 1mlf h ILE 142 N 0.80 1.23 -0.38 0.35 1.08 -0.76 -2.36 117.51 117.48 1mlf h ILE 142 Ca 0.10 -0.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 1mlf h ILE 142 Cb 0.81 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1mlf h ILE 142 CO 0.07 0.29 0.08 0.00 -0.69 0.00 0.00 178.15 177.90 1mlf h ALA 143 N 1.02 1.42 -0.15 1.87 0.00 -0.93 -0.69 119.26 121.80 1mlf h ALA 143 Ca 0.17 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1mlf h ALA 143 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1mlf h ALA 143 CO -0.00 0.42 -0.52 0.00 0.00 0.00 0.00 179.25 179.14 1mlf h ALA 144 N 1.53 0.83 -0.29 0.00 0.00 -1.18 -2.20 119.26 117.97 1mlf h ALA 144 Ca 0.13 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1mlf h ALA 144 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mlf h ALA 144 CO -0.00 0.68 -0.34 0.87 0.00 0.00 0.00 179.25 180.46 1mlf h LYS 145 N 0.32 0.63 -0.52 0.00 1.79 -1.04 -2.20 116.57 115.55 1mlf h LYS 145 Ca 0.01 -0.29 0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1mlf h LYS 145 Cb 1.02 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.63 1mlf h LYS 145 CO 0.09 0.88 0.32 1.88 -1.08 0.00 0.00 179.45 181.54 1mlf h TYR 146 N 0.53 0.60 -0.57 -1.35 -1.99 -0.63 -0.46 116.97 113.09 1mlf h TYR 146 Ca 0.06 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1mlf h TYR 146 Cb 0.84 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.35 1mlf h TYR 146 CO 0.04 0.35 0.32 -0.22 -0.00 0.00 0.00 178.16 178.64 1mlf h LYS 147 N 0.63 0.80 0.00 4.88 3.11 -1.26 -0.39 116.57 124.34 1mlf h LYS 147 Ca 0.21 -0.09 -0.04 0.00 -2.81 0.00 0.00 60.65 57.92 1mlf h LYS 147 Cb 0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 1mlf h LYS 147 CO -0.08 0.60 -0.20 0.93 -2.81 0.00 0.00 179.45 177.89 1mlf h GLU 148 N 0.77 0.00 -0.00 1.90 5.08 -0.82 -1.58 114.58 119.93 1mlf h GLU 148 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1mlf h GLU 148 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1mlf h GLU 148 CO -0.03 0.20 -0.13 1.28 -1.00 0.00 0.00 179.01 179.33 1mlf n LEU 149 N -4.14 0.59 0.00 1.33 4.77 -0.24 -4.92 117.00 114.39 1mlf n LEU 149 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1mlf n LEU 149 Cb 0.27 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1mlf n LEU 149 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1mlf n GLY 150 N 1.28 0.92 0.78 -0.72 0.00 -0.59 -5.01 105.19 101.85 1mlf n GLY 150 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1mlf n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mlf n TYR 151 N -2.16 0.00 -3.97 1.61 9.36 -0.29 -4.93 117.16 116.79 1mlf n TYR 151 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 1mlf n TYR 151 Cb 0.00 -0.24 -0.14 0.00 -0.63 0.00 0.00 39.34 38.32 1mlf n TYR 151 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1mlf s GLN 152 N -2.14 2.87 0.00 2.98 -0.21 -1.18 -4.89 119.66 117.10 1mlf s GLN 152 Ca -0.10 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.33 1mlf s GLN 152 Cb 0.04 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 31.08 1mlf s GLN 152 CO 0.12 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.33