#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myz s VAL 1 N 0.00 -0.04 0.25 3.17 1.01 -1.26 -5.06 120.40 118.48 1myz s VAL 1 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1myz s VAL 1 Cb 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 36.38 36.24 1myz s VAL 1 CO 0.00 0.06 0.60 -0.76 0.00 0.00 0.00 175.10 175.00 1myz s LEU 2 N 0.75 4.15 0.65 3.92 1.02 -1.26 -5.08 118.68 122.83 1myz s LEU 2 Ca -0.06 1.02 -0.09 0.00 0.02 0.00 0.00 54.13 55.02 1myz s LEU 2 Cb -0.09 -3.77 0.01 0.00 0.02 0.00 0.00 46.19 42.36 1myz s LEU 2 CO -0.02 -0.10 1.01 -0.94 0.02 0.00 0.00 176.35 176.32 1myz s SER 3 N -2.31 5.52 0.33 2.29 1.04 -1.26 -4.90 113.70 114.41 1myz s SER 3 Ca 0.49 0.95 0.01 0.00 0.48 0.00 0.00 55.95 57.88 1myz s SER 3 Cb -0.11 -1.84 0.55 0.00 0.10 0.00 0.00 66.02 64.72 1myz s SER 3 CO 0.20 -1.21 1.96 -0.08 0.98 0.00 0.00 173.24 175.09 1myz h GLU 4 N -0.44 0.87 -0.93 4.02 4.57 -1.99 -1.51 114.58 119.16 1myz h GLU 4 Ca -0.45 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1myz h GLU 4 Cb 1.25 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 1myz h GLU 4 CO 0.62 0.62 0.55 0.78 -1.18 0.00 0.00 179.01 180.40 1myz h GLY 5 N 0.92 1.37 1.08 1.92 0.00 -1.99 0.19 103.07 106.55 1myz h GLY 5 Ca 0.23 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1myz h GLY 5 CO -0.04 0.57 -0.31 0.83 0.00 0.00 0.00 176.54 177.58 1myz h GLU 6 N 1.29 0.88 -0.73 4.80 5.08 -1.73 -2.62 114.58 121.55 1myz h GLU 6 Ca 0.33 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1myz h GLU 6 Cb -0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1myz h GLU 6 CO -0.06 1.09 0.36 -1.49 -1.00 0.00 0.00 179.01 177.90 1myz h TRP 7 N 0.69 1.03 -0.78 4.33 -0.00 -0.84 -1.95 115.95 118.43 1myz h TRP 7 Ca 0.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1myz h TRP 7 Cb 0.90 -0.32 -0.04 0.00 -0.00 0.00 0.00 29.16 29.69 1myz h TRP 7 CO 0.06 0.75 0.43 1.96 -0.00 0.00 0.00 178.44 181.65 1myz h GLN 8 N 1.04 1.08 -0.50 0.49 1.08 -0.77 0.59 115.11 118.12 1myz h GLN 8 Ca 0.25 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 57.23 1myz h GLN 8 Cb 0.10 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1myz h GLN 8 CO -0.03 0.79 -0.13 -0.07 -0.95 0.00 0.00 178.83 178.44 1myz h LEU 9 N 1.09 0.94 -0.04 1.46 3.38 -1.05 -0.74 115.31 120.36 1myz h LEU 9 Ca 0.28 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1myz h LEU 9 Cb 0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1myz h LEU 9 CO -0.05 1.07 0.00 0.58 0.09 0.00 0.00 178.44 180.14 1myz h VAL 10 N 0.84 1.23 0.00 1.22 2.07 -0.74 -2.98 116.25 117.88 1myz h VAL 10 Ca 0.13 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1myz h VAL 10 Cb 0.67 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1myz h VAL 10 CO 0.05 0.19 -0.23 -0.07 0.02 0.00 0.00 177.57 177.53 1myz h LEU 11 N -0.20 0.00 -0.22 2.57 3.38 -0.86 -1.72 115.31 118.27 1myz h LEU 11 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1myz h LEU 11 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1myz h LEU 11 CO 0.00 0.23 -0.15 -0.74 0.09 0.00 0.00 178.44 177.87 1myz h HIS 12 N 0.00 0.57 -0.00 1.13 2.76 -1.07 -1.46 115.15 117.08 1myz h HIS 12 Ca -0.00 -0.15 -0.16 0.00 -2.20 0.00 0.00 60.37 57.85 1myz h HIS 12 Cb 0.74 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1myz h HIS 12 CO 0.00 0.80 -0.77 -0.24 -1.30 0.00 0.00 177.93 176.42 1myz h VAL 13 N 0.18 1.55 -0.10 5.26 3.04 -1.46 -2.99 116.25 121.73 1myz h VAL 13 Ca 0.04 -2.62 -0.06 0.00 -1.01 0.00 0.00 66.70 63.06 1myz h VAL 13 Cb 0.67 2.42 -0.01 0.00 -2.01 0.00 0.00 31.29 32.36 1myz h VAL 13 CO 0.04 0.75 -0.19 -0.25 -1.01 0.00 0.00 177.57 176.91 1myz h TRP 14 N 0.01 0.18 -0.16 3.17 2.91 -1.19 -1.37 115.95 119.50 1myz h TRP 14 Ca -0.01 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 1myz h TRP 14 Cb 1.36 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.95 1myz h TRP 14 CO 0.00 0.36 0.01 0.00 -1.03 0.00 0.00 178.44 177.78 1myz h ALA 15 N 1.65 1.73 -0.09 2.65 0.00 -1.11 -0.81 119.26 123.28 1myz h ALA 15 Ca 0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1myz h ALA 15 Cb 0.44 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1myz h ALA 15 CO 0.03 0.21 -0.78 0.87 0.00 0.00 0.00 179.25 179.58 1myz h LYS 16 N 0.22 0.69 -0.94 0.00 1.79 -1.32 -3.13 116.57 113.89 1myz h LYS 16 Ca 0.05 -0.62 0.05 0.00 -2.18 0.00 0.00 60.65 57.95 1myz h LYS 16 Cb 0.14 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.88 1myz h LYS 16 CO 0.00 1.23 0.60 0.28 -1.08 0.00 0.00 179.45 180.48 1myz h VAL 17 N 0.37 1.11 0.00 0.50 2.07 -0.83 -1.71 116.25 117.76 1myz h VAL 17 Ca -0.07 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1myz h VAL 17 Cb 1.43 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1myz h VAL 17 CO 0.16 0.21 0.00 -0.62 0.02 0.00 0.00 177.57 177.33 1myz n GLU 18 N -4.53 0.01 0.24 1.57 1.02 -0.38 -1.51 120.64 117.07 1myz n GLU 18 Ca 0.13 0.40 0.15 0.00 -0.02 0.00 0.00 57.16 57.82 1myz n GLU 18 Cb 0.14 -1.53 0.50 0.00 -0.02 0.00 0.00 31.44 30.53 1myz n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1myz h ALA 19 N 2.22 1.00 -0.81 0.62 0.00 -1.36 -3.36 119.26 117.57 1myz h ALA 19 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1myz h ALA 19 Cb 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.69 1myz h ALA 19 CO 0.00 0.00 -0.66 -3.47 0.00 0.00 0.00 179.25 175.12 1myz n ASP 20 N -2.95 -2.16 -0.03 0.00 2.03 -0.57 -5.02 116.55 107.86 1myz n ASP 20 Ca 0.02 -3.03 -0.10 0.00 0.52 0.00 0.00 54.79 52.21 1myz n ASP 20 Cb 0.37 1.10 -0.04 0.00 -0.72 0.00 0.00 41.12 41.83 1myz n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myz h VAL 21 N 3.29 0.96 -0.55 5.18 2.07 -1.71 -2.30 116.25 123.19 1myz h VAL 21 Ca -0.03 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1myz h VAL 21 Cb 1.00 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1myz h VAL 21 CO 0.30 0.02 0.33 0.00 0.02 0.00 0.00 177.57 178.24 1myz h ALA 22 N 1.10 0.70 -0.61 1.67 0.00 -1.91 -0.95 119.26 119.27 1myz h ALA 22 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1myz h ALA 22 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1myz h ALA 22 CO -0.08 0.04 0.20 0.78 0.00 0.00 0.00 179.25 180.19 1myz h GLY 23 N 0.65 1.02 1.36 0.00 0.00 -1.92 -2.05 103.07 102.12 1myz h GLY 23 Ca 0.22 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1myz h GLY 23 CO -0.10 0.56 -0.15 0.45 0.00 0.00 0.00 176.54 177.31 1myz h HIS 24 N 0.87 0.84 -0.70 5.60 3.86 -1.14 -2.21 115.15 122.27 1myz h HIS 24 Ca 0.20 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1myz h HIS 24 Cb 0.28 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1myz h HIS 24 CO 0.02 0.86 0.39 0.78 0.86 0.00 0.00 177.93 180.84 1myz h GLY 25 N 0.97 1.04 0.89 2.45 0.00 -0.87 -0.85 103.07 106.69 1myz h GLY 25 Ca 0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1myz h GLY 25 CO 0.04 0.44 0.08 1.46 0.00 0.00 0.00 176.54 178.57 1myz h GLN 26 N 0.96 0.38 -0.86 4.80 4.20 -1.19 -1.72 115.11 121.69 1myz h GLN 26 Ca 0.25 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.89 1myz h GLN 26 Cb 0.02 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1myz h GLN 26 CO -0.04 0.46 0.57 -0.44 -0.67 0.00 0.00 178.83 178.70 1myz h ASP 27 N 0.24 0.97 -0.39 1.46 3.32 -1.13 -1.07 116.42 119.83 1myz h ASP 27 Ca 0.08 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1myz h ASP 27 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1myz h ASP 27 CO -0.00 0.70 0.04 0.40 -1.72 0.00 0.00 179.24 178.66 1myz h ILE 28 N 1.15 1.25 -0.36 0.35 2.04 -1.02 -1.75 117.51 119.16 1myz h ILE 28 Ca 0.32 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1myz h ILE 28 Cb -0.10 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1myz h ILE 28 CO -0.08 0.31 0.09 1.88 0.00 0.00 0.00 178.15 180.35 1myz h TYR 29 N 0.49 0.61 -0.77 1.37 0.05 -1.04 -0.64 116.97 117.03 1myz h TYR 29 Ca 0.11 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1myz h TYR 29 Cb 0.40 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 1myz h TYR 29 CO 0.03 0.60 0.49 0.82 -1.05 0.00 0.00 178.16 179.05 1myz h ILE 30 N 0.44 1.21 -0.30 -2.88 2.04 -1.14 0.94 117.51 117.81 1myz h ILE 30 Ca 0.11 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1myz h ILE 30 Cb 0.30 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1myz h ILE 30 CO 0.00 0.21 0.10 -0.09 0.00 0.00 0.00 178.15 178.37 1myz h ARG 31 N 1.05 0.47 -0.00 2.37 9.65 -1.13 -1.31 114.38 125.48 1myz h ARG 31 Ca 0.28 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 59.07 1myz h ARG 31 Cb -0.08 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1myz h ARG 31 CO -0.06 0.51 -0.04 1.25 2.80 0.00 0.00 179.97 184.44 1myz h LEU 32 N 0.33 -0.11 -1.18 3.80 5.85 -0.58 -0.94 115.31 122.48 1myz h LEU 32 Ca 0.10 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1myz h LEU 32 Cb 0.24 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1myz h LEU 32 CO -0.00 -0.06 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.37 1myz h PHE 33 N -0.07 0.00 0.14 1.25 0.04 -0.78 0.45 116.94 117.97 1myz h PHE 33 Ca 0.02 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.50 1myz h PHE 33 Cb 0.09 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.25 1myz h PHE 33 CO -0.11 0.41 -1.25 0.87 -0.60 0.00 0.00 178.31 177.63 1myz h LYS 34 N 0.00 0.40 0.11 1.51 1.57 -1.07 -2.85 116.57 116.24 1myz h LYS 34 Ca -0.00 -0.61 -0.27 0.00 -1.87 0.00 0.00 60.65 57.90 1myz h LYS 34 Cb 0.73 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1myz h LYS 34 CO 0.05 1.27 -1.20 0.77 -0.57 0.00 0.00 179.45 179.78 1myz h SER 35 N 0.14 0.43 -2.30 0.86 0.02 -1.09 -3.40 113.55 108.21 1myz h SER 35 Ca -0.16 -0.44 -0.58 0.00 -0.84 0.00 0.00 61.79 59.77 1myz h SER 35 Cb 1.94 -0.14 -0.39 0.00 0.14 0.00 0.00 62.40 63.96 1myz h SER 35 CO 0.22 1.33 -0.94 1.41 -1.14 0.00 0.00 176.83 177.71 1myz n HIS 36 N -3.56 0.19 -0.24 3.45 8.25 0.14 -4.99 115.22 118.47 1myz n HIS 36 Ca -0.08 -3.59 0.30 0.00 -0.26 0.00 0.00 57.72 54.09 1myz n HIS 36 Cb 1.00 -0.13 0.71 0.00 1.12 0.00 0.00 29.99 32.68 1myz n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myz h PRO 37 N 4.88 0.05 0.00 -0.41 0.11 -1.69 -1.40 132.00 133.54 1myz h PRO 37 Ca 0.18 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1myz h PRO 37 Cb 0.86 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1myz h PRO 37 CO 0.49 0.03 -0.01 1.05 -0.21 0.00 0.00 178.00 179.35 1myz h GLU 38 N 0.05 0.00 0.00 1.05 9.09 -1.93 -1.95 114.58 120.89 1myz h GLU 38 Ca 0.49 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.85 1myz h GLU 38 Cb 1.87 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.96 1myz h GLU 38 CO -0.03 0.01 -0.23 1.79 0.05 0.00 0.00 179.01 180.59 1myz h THR 39 N 0.00 0.91 -0.01 -1.06 1.35 -1.60 -2.63 112.91 109.87 1myz h THR 39 Ca -0.00 -0.89 -0.04 0.00 -0.55 0.00 0.00 66.41 64.93 1myz h THR 39 Cb 0.01 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1myz h THR 39 CO 0.00 0.23 -0.20 0.25 -0.25 0.00 0.00 175.52 175.55 1myz h LEU 40 N 0.00 0.02 -2.53 3.87 5.85 -1.52 -2.46 115.31 118.54 1myz h LEU 40 Ca -0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1myz h LEU 40 Cb 0.50 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1myz h LEU 40 CO 0.03 0.22 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.02 1myz h GLU 41 N 0.02 0.00 0.00 1.25 5.08 -1.59 -1.89 114.58 117.45 1myz h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1myz h GLU 41 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1myz h GLU 41 CO 0.03 0.01 0.00 0.87 -1.00 0.00 0.00 179.01 178.91 1myz h LYS 42 N 0.00 0.00 -4.02 2.33 1.79 -1.59 -3.41 116.57 111.67 1myz h LYS 42 Ca -0.00 0.00 -0.77 0.00 -2.18 0.00 0.00 60.65 57.70 1myz h LYS 42 Cb 0.15 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.55 1myz h LYS 42 CO 0.00 0.00 -0.13 -0.06 -1.08 0.00 0.00 179.45 178.18 1myz s PHE 43 N -3.28 3.39 0.45 -1.35 0.40 -0.71 -4.92 117.98 111.96 1myz s PHE 43 Ca 0.07 -1.49 0.14 0.00 -0.60 0.00 0.00 56.93 55.05 1myz s PHE 43 Cb 0.09 -3.81 1.06 0.00 0.51 0.00 0.00 43.02 40.87 1myz s PHE 43 CO 0.57 -1.01 2.00 -0.44 0.70 0.00 0.00 175.22 177.03 1myz h ASP 44 N 8.58 0.32 1.57 1.36 3.32 -1.84 0.14 116.42 129.87 1myz h ASP 44 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1myz h ASP 44 Cb 1.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1myz h ASP 44 CO 0.96 0.20 0.00 0.03 -1.72 0.00 0.00 179.24 178.71 1myz h ARG 45 N 0.36 0.00 0.00 3.56 3.08 -1.95 -3.36 114.38 116.08 1myz h ARG 45 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1myz h ARG 45 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1myz h ARG 45 CO -0.06 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.03 1myz n PHE 46 N -2.73 0.00 0.02 3.04 3.72 -0.62 -4.77 117.46 116.12 1myz n PHE 46 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1myz n PHE 46 Cb 0.44 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.99 1myz n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1myz n LYS 47 N -0.45 0.00 0.09 -1.08 2.85 0.38 -1.53 118.16 118.42 1myz n LYS 47 Ca 0.00 0.40 0.12 0.00 -1.05 0.00 0.00 58.31 57.78 1myz n LYS 47 Cb 0.02 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.04 1myz n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1myz h HIS 48 N 0.00 0.00 -2.55 5.58 2.07 -1.86 -3.47 115.15 114.93 1myz h HIS 48 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 1myz h HIS 48 Cb 0.01 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.04 1myz h HIS 48 CO 0.00 0.00 1.05 1.28 -3.07 0.00 0.00 177.93 177.19 1myz n LEU 49 N -2.39 3.97 -0.08 6.12 4.77 -0.58 -4.91 117.00 123.89 1myz n LEU 49 Ca 0.03 1.03 -0.06 0.00 -0.03 0.00 0.00 56.01 56.97 1myz n LEU 49 Cb 0.48 -1.55 -0.15 0.00 -2.33 0.00 0.00 43.42 39.87 1myz n LEU 49 CO 0.37 0.15 -1.05 0.29 -1.33 0.00 0.00 177.39 175.82 1myz n LYS 50 N 4.76 0.86 -4.31 3.23 5.02 -1.26 -5.03 118.16 121.43 1myz n LYS 50 Ca 0.17 -0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.26 1myz n LYS 50 Cb 0.36 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1myz n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1myz s THR 51 N -2.62 0.77 0.34 -0.18 -4.23 -1.26 -5.03 115.64 103.43 1myz s THR 51 Ca -0.09 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1myz s THR 51 Cb 0.07 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.66 1myz s THR 51 CO 0.79 -0.22 1.90 -0.08 -0.54 0.00 0.00 174.62 176.47 1myz h GLU 52 N 2.47 0.58 -0.48 3.99 4.81 -1.99 -1.92 114.58 122.05 1myz h GLU 52 Ca -0.38 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1myz h GLU 52 Cb 1.23 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1myz h GLU 52 CO 0.63 0.55 0.31 0.00 -0.73 0.00 0.00 179.01 179.77 1myz h ALA 53 N 1.52 0.60 -0.37 2.92 0.00 -1.99 -0.34 119.26 121.59 1myz h ALA 53 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1myz h ALA 53 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1myz h ALA 53 CO 0.00 0.06 -0.11 0.93 0.00 0.00 0.00 179.25 180.14 1myz h GLU 54 N 0.64 0.64 -0.39 0.00 5.08 -1.84 -2.25 114.58 116.46 1myz h GLU 54 Ca 0.17 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1myz h GLU 54 Cb -0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1myz h GLU 54 CO -0.04 0.74 0.09 0.52 -1.00 0.00 0.00 179.01 179.32 1myz h MET 55 N 0.59 0.63 0.00 2.33 2.86 -0.75 -2.04 114.93 118.55 1myz h MET 55 Ca 0.11 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1myz h MET 55 Cb 0.53 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1myz h MET 55 CO 0.03 0.66 -0.25 0.87 1.06 0.00 0.00 176.91 179.28 1myz h LYS 56 N 0.49 0.00 0.00 1.72 1.57 -0.88 -2.76 116.57 116.71 1myz h LYS 56 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1myz h LYS 56 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1myz h LYS 56 CO 0.00 0.25 -0.35 0.00 -0.57 0.00 0.00 179.45 178.78 1myz n ALA 57 N -2.47 2.84 -2.26 3.86 0.00 -0.86 -4.84 120.51 116.78 1myz n ALA 57 Ca -0.02 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1myz n ALA 57 Cb 0.31 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1myz n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1myz s SER 58 N -3.74 6.32 0.21 0.00 0.15 -0.79 -4.87 113.70 110.98 1myz s SER 58 Ca 0.10 1.10 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 1myz s SER 58 Cb 0.15 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 1myz s SER 58 CO 0.65 -1.39 1.62 -0.08 1.20 0.00 0.00 173.24 175.24 1myz h GLU 59 N 10.84 0.72 -0.56 5.44 4.57 -1.89 -2.37 114.58 131.34 1myz h GLU 59 Ca -0.29 -0.31 -0.09 0.00 -1.18 0.00 0.00 59.36 57.48 1myz h GLU 59 Cb 1.12 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1myz h GLU 59 CO 1.05 0.92 -0.01 -0.44 -1.18 0.00 0.00 179.01 179.35 1myz h ASP 60 N 0.62 0.95 -0.45 1.04 3.32 -1.97 -1.39 116.42 118.54 1myz h ASP 60 Ca 0.08 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 1myz h ASP 60 Cb 0.78 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1myz h ASP 60 CO 0.06 1.01 -0.09 0.25 -1.72 0.00 0.00 179.24 178.76 1myz h LEU 61 N 0.89 0.90 -0.42 1.55 5.85 -1.87 -1.23 115.31 120.98 1myz h LEU 61 Ca 0.16 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1myz h LEU 61 Cb 0.54 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1myz h LEU 61 CO 0.03 1.01 0.21 0.50 -0.34 0.00 0.00 178.44 179.85 1myz h LYS 62 N 0.82 0.60 -0.62 1.25 3.64 -1.13 -0.82 116.57 120.31 1myz h LYS 62 Ca 0.14 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1myz h LYS 62 Cb 0.61 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1myz h LYS 62 CO 0.04 0.51 0.17 0.87 -2.27 0.00 0.00 179.45 178.77 1myz h LYS 63 N 0.54 0.95 -0.63 1.90 1.57 -1.03 -2.39 116.57 117.48 1myz h LYS 63 Ca 0.15 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1myz h LYS 63 Cb 0.10 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1myz h LYS 63 CO -0.02 0.84 0.14 0.37 -0.57 0.00 0.00 179.45 180.21 1myz h GLN 64 N 0.92 1.01 -0.75 3.15 5.75 -0.85 -2.44 115.11 121.90 1myz h GLN 64 Ca 0.20 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1myz h GLN 64 Cb 0.30 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 1myz h GLN 64 CO -0.00 0.92 0.43 0.78 -2.65 0.00 0.00 178.83 178.31 1myz h GLY 65 N 0.93 1.09 1.02 2.39 0.00 -0.80 -1.31 103.07 106.40 1myz h GLY 65 Ca 0.20 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1myz h GLY 65 CO 0.00 0.44 0.14 -2.08 0.00 0.00 0.00 176.54 175.05 1myz h VAL 66 N 1.03 1.25 -0.63 4.60 2.07 -1.12 -0.85 116.25 122.61 1myz h VAL 66 Ca 0.27 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1myz h VAL 66 Cb -0.02 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1myz h VAL 66 CO -0.05 0.35 0.28 0.03 0.02 0.00 0.00 177.57 178.20 1myz h ARG 67 N 0.89 0.92 0.09 1.57 3.08 -0.94 -0.75 114.38 119.25 1myz h ARG 67 Ca 0.19 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1myz h ARG 67 Cb 0.37 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1myz h ARG 67 CO 0.00 0.76 -0.04 0.28 -1.07 0.00 0.00 179.97 179.90 1myz h VAL 68 N 0.87 1.03 -0.05 2.04 2.07 -1.00 -1.84 116.25 119.38 1myz h VAL 68 Ca 0.21 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1myz h VAL 68 Cb 0.15 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1myz h VAL 68 CO -0.02 0.11 -0.30 -0.07 0.02 0.00 0.00 177.57 177.30 1myz h LEU 69 N -0.32 0.08 -0.37 2.57 3.38 -1.09 -0.87 115.31 118.69 1myz h LEU 69 Ca -0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1myz h LEU 69 Cb 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1myz h LEU 69 CO 0.02 0.39 -0.13 0.74 0.09 0.00 0.00 178.44 179.55 1myz h THR 70 N 0.08 1.28 -0.46 0.22 2.02 -1.05 0.82 112.91 115.82 1myz h THR 70 Ca 0.01 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 1myz h THR 70 Cb 0.58 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1myz h THR 70 CO 0.04 0.41 0.11 0.00 0.37 0.00 0.00 175.52 176.45 1myz h ALA 71 N 0.81 0.60 -0.61 6.16 0.00 -0.98 -1.82 119.26 123.43 1myz h ALA 71 Ca 0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1myz h ALA 71 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1myz h ALA 71 CO 0.04 0.30 0.04 1.25 0.00 0.00 0.00 179.25 180.88 1myz h LEU 72 N 0.61 1.03 -0.93 0.00 5.85 -1.07 -2.51 115.31 118.29 1myz h LEU 72 Ca 0.14 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1myz h LEU 72 Cb 0.33 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1myz h LEU 72 CO 0.00 1.06 0.55 1.23 -0.34 0.00 0.00 178.44 180.95 1myz h GLY 73 N 0.96 1.36 1.19 3.75 0.00 -0.65 -0.44 103.07 109.24 1myz h GLY 73 Ca 0.18 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1myz h GLY 73 CO 0.02 0.56 0.28 0.00 0.00 0.00 0.00 176.54 177.40 1myz h ALA 74 N 1.30 1.18 -0.09 3.60 0.00 -1.08 -1.20 119.26 122.97 1myz h ALA 74 Ca 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1myz h ALA 74 Cb -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1myz h ALA 74 CO -0.06 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.58 1myz h ILE 75 N 1.01 1.29 -0.84 0.00 2.04 -0.97 -3.12 117.51 116.92 1myz h ILE 75 Ca 0.24 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1myz h ILE 75 Cb 0.19 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1myz h ILE 75 CO -0.02 0.27 0.55 -0.07 0.00 0.00 0.00 178.15 178.88 1myz h LEU 76 N -0.15 0.95 -0.62 1.44 3.38 -0.84 -1.65 115.31 117.81 1myz h LEU 76 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1myz h LEU 76 Cb 0.43 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1myz h LEU 76 CO 0.01 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.51 1myz n LYS 77 N -4.42 0.13 0.00 1.13 5.02 -0.47 -1.54 118.16 118.02 1myz n LYS 77 Ca 0.10 0.42 0.14 0.00 -2.02 0.00 0.00 58.31 56.95 1myz n LYS 77 Cb 0.04 -1.78 0.55 0.00 -0.02 0.00 0.00 35.03 33.82 1myz n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1myz n LYS 78 N -2.04 0.03 -3.91 1.97 4.76 -0.62 -4.94 118.16 113.40 1myz n LYS 78 Ca 0.02 -0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.20 1myz n LYS 78 Cb 0.17 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 1myz n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myz n LYS 79 N -1.48 -3.70 0.00 1.97 5.02 -0.59 -2.01 118.16 117.37 1myz n LYS 79 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1myz n LYS 79 Cb 0.33 -4.72 0.00 0.00 -0.02 0.00 0.00 35.03 30.63 1myz n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myz n GLY 80 N -1.87 3.25 2.58 0.72 0.00 -1.26 -4.95 105.19 103.67 1myz n GLY 80 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1myz n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myz n HIS 81 N -2.00 2.68 -1.05 1.61 8.25 -0.85 -4.68 115.22 119.17 1myz n HIS 81 Ca 0.00 -2.69 0.06 0.00 -0.26 0.00 0.00 57.72 54.84 1myz n HIS 81 Cb 0.00 -1.51 0.26 0.00 1.12 0.00 0.00 29.99 29.85 1myz n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myz n HIS 82 N 0.91 1.06 -0.14 4.41 1.44 -1.26 -4.76 115.22 116.87 1myz n HIS 82 Ca 0.53 -0.97 -0.04 0.00 -2.01 0.00 0.00 57.72 55.23 1myz n HIS 82 Cb 0.26 -0.36 0.03 0.00 0.12 0.00 0.00 29.99 30.04 1myz n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1myz h GLU 83 N 1.79 0.04 -0.70 -1.40 4.57 -2.00 -1.39 114.58 115.49 1myz h GLU 83 Ca 0.04 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1myz h GLU 83 Cb 1.53 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.08 1myz h GLU 83 CO 0.27 0.02 0.33 0.00 -1.18 0.00 0.00 179.01 178.45 1myz h ALA 84 N 1.43 0.90 -0.20 2.92 0.00 -2.01 -2.89 119.26 119.41 1myz h ALA 84 Ca 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1myz h ALA 84 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1myz h ALA 84 CO -0.43 0.47 -0.30 0.93 0.00 0.00 0.00 179.25 179.93 1myz h GLU 85 N 0.97 0.39 -0.01 0.00 3.07 -1.81 -3.20 114.58 113.99 1myz h GLU 85 Ca 0.24 -0.15 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 1myz h GLU 85 Cb 0.13 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1myz h GLU 85 CO -0.03 0.65 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.51 1myz h LEU 86 N 0.34 0.05 0.22 1.33 4.07 -1.07 -3.35 115.31 116.90 1myz h LEU 86 Ca 0.05 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.99 1myz h LEU 86 Cb 0.70 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.39 1myz h LEU 86 CO 0.05 0.68 -0.42 0.11 -1.08 0.00 0.00 178.44 177.79 1myz h LYS 87 N 0.03 -0.69 -0.32 1.13 1.57 -1.51 0.12 116.57 116.90 1myz h LYS 87 Ca -0.01 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1myz h LYS 87 Cb 1.16 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1myz h LYS 87 CO 0.09 -0.46 -0.07 -1.00 -0.57 0.00 0.00 179.45 177.44 1myz h PRO 88 N -0.72 0.52 -0.30 3.15 0.13 -1.75 -1.35 132.00 131.67 1myz h PRO 88 Ca 0.00 -0.13 -0.07 0.00 -0.87 0.00 0.00 66.00 64.93 1myz h PRO 88 Cb 0.70 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1myz h PRO 88 CO -0.18 0.59 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.04 1myz h LEU 89 N 0.48 0.59 -0.53 1.56 3.38 -1.63 -1.79 115.31 117.38 1myz h LEU 89 Ca 0.10 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1myz h LEU 89 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1myz h LEU 89 CO 0.02 0.81 0.19 0.00 0.09 0.00 0.00 178.44 179.55 1myz h ALA 90 N 0.79 0.69 -0.43 1.53 0.00 -0.60 -1.29 119.26 119.95 1myz h ALA 90 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1myz h ALA 90 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1myz h ALA 90 CO 0.03 0.33 0.17 0.37 0.00 0.00 0.00 179.25 180.16 1myz h GLN 91 N 0.72 0.65 -0.40 0.00 4.15 -1.16 -1.19 115.11 117.89 1myz h GLN 91 Ca 0.17 -0.12 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 1myz h GLN 91 Cb 0.24 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1myz h GLN 91 CO -0.01 0.60 -0.30 0.66 -1.93 0.00 0.00 178.83 177.84 1myz h SER 92 N 0.56 0.96 1.21 -0.69 4.64 -1.21 -1.11 113.55 117.90 1myz h SER 92 Ca 0.15 -0.44 -0.06 0.00 -0.47 0.00 0.00 61.79 60.96 1myz h SER 92 Cb 0.19 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1myz h SER 92 CO -0.01 1.20 -0.29 0.45 -0.87 0.00 0.00 176.83 177.31 1myz h HIS 93 N 0.74 0.00 0.11 4.77 3.86 -1.17 -0.04 115.15 123.41 1myz h HIS 93 Ca 0.08 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.97 1myz h HIS 93 Cb 0.89 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1myz h HIS 93 CO 0.06 0.29 -1.70 0.00 0.86 0.00 0.00 177.93 177.44 1myz h ALA 94 N 1.71 0.30 0.11 2.45 0.00 -1.19 0.21 119.26 122.85 1myz h ALA 94 Ca -0.00 -1.25 -0.37 0.00 0.00 0.00 0.00 54.91 53.29 1myz h ALA 94 Cb 0.97 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1myz h ALA 94 CO 0.04 1.05 -2.05 2.41 0.00 0.00 0.00 179.25 180.70 1myz n THR 95 N -3.76 1.74 -0.11 0.00 -1.04 -0.43 -3.91 114.28 106.77 1myz n THR 95 Ca -0.29 -0.65 -0.22 0.00 -2.04 0.00 0.00 64.05 60.85 1myz n THR 95 Cb 0.96 -1.66 -0.09 0.00 -1.82 0.00 0.00 70.33 67.71 1myz n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1myz n LYS 96 N -3.43 0.56 0.07 -2.82 4.81 -0.42 -4.63 118.16 112.29 1myz n LYS 96 Ca -0.33 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1myz n LYS 96 Cb 1.04 -1.62 -0.05 0.00 0.02 0.00 0.00 35.03 34.42 1myz n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1myz h HIS 97 N -1.00 0.00 -5.56 5.64 3.86 -1.22 -3.49 115.15 113.37 1myz h HIS 97 Ca -0.41 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.60 1myz h HIS 97 Cb 1.30 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.89 1myz h HIS 97 CO -0.05 0.57 -0.62 1.63 0.86 0.00 0.00 177.93 180.32 1myz n LYS 98 N -3.02 -1.82 -3.54 2.45 5.02 -0.27 -4.98 118.16 111.99 1myz n LYS 98 Ca -0.05 1.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.83 1myz n LYS 98 Cb 0.81 -5.50 -0.11 0.00 -0.02 0.00 0.00 35.03 30.21 1myz n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1myz s ILE 99 N -3.27 4.97 0.72 -0.18 -1.09 0.59 -5.01 121.20 117.93 1myz s ILE 99 Ca 0.31 -0.63 -0.15 0.00 -2.23 0.00 0.00 60.65 57.95 1myz s ILE 99 Cb -0.05 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1myz s ILE 99 CO 0.76 -0.20 1.19 -2.84 -1.23 0.00 0.00 174.94 172.62 1myz s PRO 100 N 1.64 2.26 0.40 2.79 0.02 -1.26 -4.81 135.00 136.03 1myz s PRO 100 Ca 0.04 1.70 0.09 0.00 0.02 0.00 0.00 61.00 62.84 1myz s PRO 100 Cb -0.19 -1.85 0.87 0.00 0.02 0.00 0.00 34.50 33.35 1myz s PRO 100 CO 0.09 -1.73 1.99 0.82 -0.33 0.00 0.00 177.00 177.84 1myz h ILE 101 N -0.23 1.00 -0.93 2.83 1.08 -1.50 -1.34 117.51 118.42 1myz h ILE 101 Ca -0.47 -0.20 0.12 0.00 -0.39 0.00 0.00 64.86 63.91 1myz h ILE 101 Cb 1.29 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 35.32 1myz h ILE 101 CO 0.50 0.11 0.60 0.50 -0.69 0.00 0.00 178.15 179.17 1myz h LYS 102 N 0.59 0.83 0.00 2.37 3.64 -1.91 0.26 116.57 122.35 1myz h LYS 102 Ca 0.26 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1myz h LYS 102 Cb 0.27 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1myz h LYS 102 CO -0.08 0.55 -0.43 1.88 -2.27 0.00 0.00 179.45 179.10 1myz h TYR 103 N 0.86 0.00 0.00 1.91 -1.99 -1.60 -1.81 116.97 114.34 1myz h TYR 103 Ca 0.46 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.07 1myz h TYR 103 Cb 0.54 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1myz h TYR 103 CO -0.00 0.43 -0.56 -0.07 -0.00 0.00 0.00 178.16 177.96 1myz h LEU 104 N 0.00 0.00 -0.31 3.88 3.38 -0.91 -1.77 115.31 119.58 1myz h LEU 104 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1myz h LEU 104 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1myz h LEU 104 CO 0.06 0.56 -0.40 -0.33 0.09 0.00 0.00 178.44 178.42 1myz h GLU 105 N 0.00 0.82 -0.58 1.13 5.08 -0.76 -2.09 114.58 118.18 1myz h GLU 105 Ca -0.01 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1myz h GLU 105 Cb 1.04 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1myz h GLU 105 CO 0.07 1.10 0.31 0.74 -1.00 0.00 0.00 179.01 180.24 1myz h PHE 106 N 0.60 0.81 0.00 4.33 0.04 -1.03 -1.28 116.94 120.40 1myz h PHE 106 Ca 0.04 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 1myz h PHE 106 Cb 0.99 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1myz h PHE 106 CO 0.07 0.60 -0.50 0.97 -0.60 0.00 0.00 178.31 178.85 1myz h ILE 107 N 0.79 1.28 -0.70 -0.55 2.10 -1.30 -1.90 117.51 117.23 1myz h ILE 107 Ca 0.20 -1.75 -0.07 0.00 1.08 0.00 0.00 64.86 64.32 1myz h ILE 107 Cb 0.06 1.96 -0.03 0.00 -1.09 0.00 0.00 36.82 37.73 1myz h ILE 107 CO -0.03 0.49 0.16 0.28 -1.08 0.00 0.00 178.15 177.97 1myz h SER 108 N 0.00 1.05 -0.70 2.19 0.02 -0.85 -0.49 113.55 114.78 1myz h SER 108 Ca -0.00 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 1myz h SER 108 Cb 0.92 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1myz h SER 108 CO 0.06 1.01 0.17 -0.08 -1.14 0.00 0.00 176.83 176.86 1myz h GLU 109 N 1.05 1.11 -0.60 3.45 4.81 -0.84 -1.85 114.58 121.72 1myz h GLU 109 Ca 0.22 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1myz h GLU 109 Cb 0.37 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1myz h GLU 109 CO 0.00 0.98 0.02 0.00 -0.73 0.00 0.00 179.01 179.29 1myz h ALA 110 N 1.08 0.91 -0.19 2.92 0.00 -0.85 -0.84 119.26 122.29 1myz h ALA 110 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1myz h ALA 110 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1myz h ALA 110 CO 0.00 0.65 0.10 0.82 0.00 0.00 0.00 179.25 180.82 1myz h ILE 111 N 0.95 1.12 -0.85 0.00 2.04 -0.85 -1.45 117.51 118.47 1myz h ILE 111 Ca 0.18 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1myz h ILE 111 Cb 0.51 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1myz h ILE 111 CO 0.02 0.12 0.47 0.40 0.00 0.00 0.00 178.15 179.16 1myz h ILE 112 N 0.19 1.25 -0.34 -0.67 2.04 -1.16 -1.42 117.51 117.39 1myz h ILE 112 Ca 0.07 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1myz h ILE 112 Cb 0.10 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1myz h ILE 112 CO -0.01 0.28 0.20 -0.74 0.00 0.00 0.00 178.15 177.88 1myz h HIS 113 N 1.19 0.46 -0.51 1.37 2.76 -0.88 -1.18 115.15 118.36 1myz h HIS 113 Ca 0.30 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.38 1myz h HIS 113 Cb 0.02 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 1myz h HIS 113 CO 0.01 0.34 -0.03 0.28 -1.30 0.00 0.00 177.93 177.23 1myz h VAL 114 N 0.44 1.27 -0.65 5.26 2.07 -1.01 -1.68 116.25 121.95 1myz h VAL 114 Ca 0.12 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1myz h VAL 114 Cb 0.02 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1myz h VAL 114 CO -0.02 0.40 0.13 -0.07 0.02 0.00 0.00 177.57 178.03 1myz h LEU 115 N 0.78 0.99 -0.86 2.57 3.38 -1.14 -0.11 115.31 120.92 1myz h LEU 115 Ca 0.14 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1myz h LEU 115 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1myz h LEU 115 CO 0.03 0.98 0.19 -0.74 0.09 0.00 0.00 178.44 178.99 1myz h HIS 116 N 0.99 1.07 -0.07 1.13 2.76 -1.04 0.59 115.15 120.58 1myz h HIS 116 Ca 0.20 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.21 1myz h HIS 116 Cb 0.39 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1myz h HIS 116 CO 0.03 0.86 -0.20 0.77 -1.30 0.00 0.00 177.93 178.09 1myz h SER 117 N 0.99 0.30 1.12 3.26 0.02 -0.92 -3.28 113.55 115.04 1myz h SER 117 Ca 0.22 -0.60 -0.14 0.00 -0.84 0.00 0.00 61.79 60.43 1myz h SER 117 Cb 0.31 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1myz h SER 117 CO -0.00 0.84 -0.93 0.03 -1.14 0.00 0.00 176.83 175.63 1myz h ARG 118 N -0.23 0.00 -1.52 3.45 3.08 -0.99 -3.40 114.38 114.77 1myz h ARG 118 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1myz h ARG 118 Cb 0.81 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.45 1myz h ARG 118 CO 0.04 0.43 -0.97 0.72 -1.07 0.00 0.00 179.97 179.12 1myz n HIS 119 N -3.08 2.12 -0.23 3.04 8.25 0.19 -4.92 115.22 120.58 1myz n HIS 119 Ca -0.03 -3.25 0.12 0.00 -0.26 0.00 0.00 57.72 54.30 1myz n HIS 119 Cb 0.79 -0.31 0.41 0.00 1.12 0.00 0.00 29.99 32.00 1myz n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myz h PRO 120 N 2.87 0.61 0.00 -0.41 0.13 -1.71 0.34 132.00 133.82 1myz h PRO 120 Ca 0.09 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 1myz h PRO 120 Cb 0.96 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1myz h PRO 120 CO 0.66 0.40 -0.18 0.78 -0.23 0.00 0.00 178.00 179.43 1myz h GLY 121 N 0.62 0.00 -0.82 1.56 0.00 -1.92 -2.88 103.07 99.63 1myz h GLY 121 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1myz h GLY 121 CO -0.17 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.07 1myz n ASN 122 N -3.45 2.89 -2.95 0.19 3.02 -0.38 -4.67 115.26 109.90 1myz n ASN 122 Ca -0.01 -2.53 -0.15 0.00 -0.03 0.00 0.00 54.58 51.86 1myz n ASN 122 Cb 0.35 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1myz n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1myz n PHE 123 N -0.43 0.73 -1.17 3.10 7.35 -0.03 -4.65 117.46 122.36 1myz n PHE 123 Ca 0.13 -3.39 -0.12 0.00 -0.76 0.00 0.00 57.45 53.31 1myz n PHE 123 Cb 0.57 -0.40 0.09 0.00 0.35 0.00 0.00 39.48 40.09 1myz n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myz n GLY 124 N 0.11 -1.69 0.20 7.13 0.00 -1.25 -4.61 105.19 105.09 1myz n GLY 124 Ca 0.19 -1.62 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 1myz n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myz h ALA 125 N -2.04 0.59 -0.68 4.61 0.00 -1.99 -0.18 119.26 119.58 1myz h ALA 125 Ca -0.17 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1myz h ALA 125 Cb 0.50 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1myz h ALA 125 CO 0.12 -0.26 0.15 -0.44 0.00 0.00 0.00 179.25 178.83 1myz h ASP 126 N 0.30 1.04 -0.52 0.00 3.32 -1.99 -0.84 116.42 117.74 1myz h ASP 126 Ca 0.25 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1myz h ASP 126 Cb 0.29 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1myz h ASP 126 CO -0.28 1.01 -0.07 0.00 -1.72 0.00 0.00 179.24 178.19 1myz h ALA 127 N 1.07 0.84 -0.54 3.45 0.00 -1.79 -1.62 119.26 120.68 1myz h ALA 127 Ca 0.21 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1myz h ALA 127 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1myz h ALA 127 CO 0.01 0.66 -0.05 0.37 0.00 0.00 0.00 179.25 180.24 1myz h GLN 128 N 0.90 0.97 -0.83 0.00 4.15 -0.81 -0.86 115.11 118.62 1myz h GLN 128 Ca 0.15 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 1myz h GLN 128 Cb 0.62 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1myz h GLN 128 CO 0.04 0.98 0.40 0.78 -1.93 0.00 0.00 178.83 179.10 1myz h GLY 129 N 0.98 1.28 0.98 2.39 0.00 -0.90 0.73 103.07 108.54 1myz h GLY 129 Ca 0.15 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1myz h GLY 129 CO 0.03 0.60 -0.07 0.00 0.00 0.00 0.00 176.54 177.11 1myz h ALA 130 N 1.21 0.57 -0.64 3.60 0.00 -0.95 -1.42 119.26 121.63 1myz h ALA 130 Ca 0.28 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1myz h ALA 130 Cb 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1myz h ALA 130 CO -0.04 0.42 0.10 1.98 0.00 0.00 0.00 179.25 181.71 1myz h MET 131 N 0.60 1.07 -0.71 0.00 -1.53 -0.86 -1.00 114.93 112.50 1myz h MET 131 Ca 0.11 -0.29 -0.01 0.00 -3.44 0.00 0.00 59.70 56.07 1myz h MET 131 Cb 0.58 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 1myz h MET 131 CO 0.03 0.99 0.40 -0.97 0.14 0.00 0.00 176.91 177.51 1myz h ASN 132 N 0.99 0.87 -0.77 1.39 -1.24 -0.71 -0.87 115.58 115.24 1myz h ASN 132 Ca 0.20 -0.08 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1myz h ASN 132 Cb 0.44 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 1myz h ASN 132 CO 0.01 0.71 0.32 0.50 -1.29 0.00 0.00 177.43 177.68 1myz h LYS 133 N 0.97 1.14 -0.64 6.67 3.64 -0.89 0.11 116.57 127.56 1myz h LYS 133 Ca 0.25 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1myz h LYS 133 Cb 0.01 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1myz h LYS 133 CO -0.04 0.92 0.15 0.00 -2.27 0.00 0.00 179.45 178.20 1myz h ALA 134 N 1.16 0.85 -0.09 5.00 0.00 -0.76 -0.98 119.26 124.45 1myz h ALA 134 Ca 0.26 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1myz h ALA 134 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1myz h ALA 134 CO -0.02 0.57 -0.58 -0.07 0.00 0.00 0.00 179.25 179.14 1myz h LEU 135 N 0.95 0.31 -0.75 0.00 3.38 -0.80 -1.76 115.31 116.65 1myz h LEU 135 Ca 0.20 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1myz h LEU 135 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1myz h LEU 135 CO 0.00 0.82 -0.28 -0.33 0.09 0.00 0.00 178.44 178.74 1myz h GLU 136 N 0.21 0.64 -0.38 1.13 5.08 -0.49 -0.50 114.58 120.28 1myz h GLU 136 Ca -0.00 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 1myz h GLU 136 Cb 1.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1myz h GLU 136 CO 0.09 0.85 0.05 1.25 -1.00 0.00 0.00 179.01 180.25 1myz h LEU 137 N 0.55 0.61 -0.06 1.33 5.85 -0.99 0.27 115.31 122.88 1myz h LEU 137 Ca 0.07 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1myz h LEU 137 Cb 0.76 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1myz h LEU 137 CO 0.06 0.73 -0.08 0.15 -0.34 0.00 0.00 178.44 178.96 1myz h PHE 138 N 0.47 -0.19 -0.47 1.25 3.57 -1.07 -0.92 116.94 119.57 1myz h PHE 138 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1myz h PHE 138 Cb 0.38 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1myz h PHE 138 CO 0.03 -0.12 0.07 0.00 -2.23 0.00 0.00 178.31 176.06 1myz h ARG 139 N -0.11 0.73 -0.25 1.11 3.08 -0.93 -1.11 114.38 116.90 1myz h ARG 139 Ca 0.05 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1myz h ARG 139 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1myz h ARG 139 CO -0.12 0.70 0.05 -0.22 -1.07 0.00 0.00 179.97 179.30 1myz h LYS 140 N 0.70 0.41 -0.29 0.04 3.64 -0.58 -0.73 116.57 119.77 1myz h LYS 140 Ca 0.15 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1myz h LYS 140 Cb 0.33 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1myz h LYS 140 CO 0.01 0.53 -0.36 -0.44 -2.27 0.00 0.00 179.45 176.92 1myz h ASP 141 N 0.23 0.69 0.35 4.20 3.32 -1.01 -2.03 116.42 122.18 1myz h ASP 141 Ca 0.08 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.69 1myz h ASP 141 Cb 0.31 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1myz h ASP 141 CO 0.00 0.99 -0.59 -0.29 -1.72 0.00 0.00 179.24 177.63 1myz h ILE 142 N 0.55 1.38 -0.60 0.35 2.10 -1.14 -2.02 117.51 118.13 1myz h ILE 142 Ca 0.05 -1.95 -0.06 0.00 1.08 0.00 0.00 64.86 63.99 1myz h ILE 142 Cb 0.88 1.98 -0.03 0.00 -1.09 0.00 0.00 36.82 38.56 1myz h ILE 142 CO 0.08 0.58 0.14 0.00 -1.08 0.00 0.00 178.15 177.86 1myz h ALA 143 N 1.21 1.11 -0.60 0.18 0.00 -0.94 0.79 119.26 121.00 1myz h ALA 143 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1myz h ALA 143 Cb 1.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1myz h ALA 143 CO 0.09 0.60 0.06 0.00 0.00 0.00 0.00 179.25 180.00 1myz h ALA 144 N 1.24 0.80 -0.40 0.00 0.00 -1.10 -2.30 119.26 117.51 1myz h ALA 144 Ca 0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1myz h ALA 144 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1myz h ALA 144 CO 0.00 0.59 -0.22 0.87 0.00 0.00 0.00 179.25 180.49 1myz h LYS 145 N 0.92 0.79 -0.48 0.00 1.79 -0.94 -2.47 116.57 116.18 1myz h LYS 145 Ca 0.18 -0.32 0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1myz h LYS 145 Cb 0.48 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 1myz h LYS 145 CO 0.02 0.93 0.17 1.88 -1.08 0.00 0.00 179.45 181.38 1myz h TYR 146 N 0.69 0.31 -0.49 -1.35 -1.99 -0.55 -0.13 116.97 113.46 1myz h TYR 146 Ca 0.10 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 1myz h TYR 146 Cb 0.73 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 1myz h TYR 146 CO 0.04 0.11 0.29 -0.22 -0.00 0.00 0.00 178.16 178.38 1myz h LYS 147 N 0.35 0.66 -0.32 4.88 3.64 -1.18 -0.54 116.57 124.06 1myz h LYS 147 Ca 0.23 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1myz h LYS 147 Cb 0.23 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1myz h LYS 147 CO -0.23 0.49 0.10 0.93 -2.27 0.00 0.00 179.45 178.47 1myz h GLU 148 N 0.65 0.46 -0.00 1.90 5.08 -0.93 -2.17 114.58 119.58 1myz h GLU 148 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1myz h GLU 148 Cb -0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1myz h GLU 148 CO -0.03 0.41 -0.07 1.28 -1.00 0.00 0.00 179.01 179.60 1myz n LEU 149 N -4.38 0.12 0.00 1.33 4.77 -0.12 -4.93 117.00 113.79 1myz n LEU 149 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1myz n LEU 149 Cb 0.16 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1myz n LEU 149 CO 0.37 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1myz n GLY 150 N 1.41 0.86 3.35 -0.72 0.00 -0.76 -5.04 105.19 104.30 1myz n GLY 150 Ca 0.10 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1myz n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1myz s TYR 151 N -2.00 2.89 0.21 1.61 5.04 -0.29 -5.00 117.35 119.81 1myz s TYR 151 Ca 0.00 -0.76 0.20 0.00 -2.44 0.00 0.00 57.07 54.07 1myz s TYR 151 Cb 0.00 -1.95 0.78 0.00 0.35 0.00 0.00 41.96 41.14 1myz s TYR 151 CO 0.00 -0.34 1.78 -0.56 -1.34 0.00 0.00 175.55 175.09 1myz h GLN 152 N 7.25 0.00 0.00 4.97 -0.00 -1.94 -3.24 115.11 122.16 1myz h GLN 152 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 1myz h GLN 152 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1myz h GLN 152 CO 0.59 0.34 0.00 0.41 -0.00 0.00 0.00 178.83 180.16