#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myf s LEU 2 N 0.00 3.55 0.90 6.55 1.02 -1.26 -5.09 118.68 124.35 1myf s LEU 2 Ca 0.00 -0.56 -0.13 0.00 0.02 0.00 0.00 54.13 53.46 1myf s LEU 2 Cb 0.00 -1.85 0.13 0.00 0.02 0.00 0.00 46.19 44.49 1myf s LEU 2 CO 0.00 -0.12 1.18 -0.44 0.02 0.00 0.00 176.35 176.98 1myf s SER 3 N 1.51 3.67 -1.11 2.29 0.01 -1.26 -4.73 113.70 114.08 1myf s SER 3 Ca 0.04 0.78 -0.15 0.00 1.31 0.00 0.00 55.95 57.92 1myf s SER 3 Cb -0.16 -1.23 -0.07 0.00 0.21 0.00 0.00 66.02 64.77 1myf s SER 3 CO 0.01 -2.43 2.17 -1.84 0.41 0.00 0.00 173.24 171.56 1myf n GLU 4 N -3.66 2.28 0.10 12.44 0.28 -1.26 -2.13 120.64 128.69 1myf n GLU 4 Ca 0.09 -2.07 0.00 0.00 -0.16 0.00 0.00 57.16 55.02 1myf n GLU 4 Cb 0.60 -2.95 0.00 0.00 1.43 0.00 0.00 31.44 30.52 1myf n GLU 4 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1myf n GLY 5 N 4.16 -1.20 0.20 -1.84 0.00 -1.26 -4.82 105.19 100.44 1myf n GLY 5 Ca 0.53 0.28 -0.07 0.00 0.00 0.00 0.00 46.02 46.76 1myf n GLY 5 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1myf h GLU 6 N 0.00 0.62 -0.95 1.61 3.07 -1.78 0.17 114.58 117.31 1myf h GLU 6 Ca 0.00 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1myf h GLU 6 Cb 0.00 -0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 27.72 1myf h GLU 6 CO 0.00 0.41 0.62 -1.49 -1.40 0.00 0.00 179.01 177.15 1myf h TRP 7 N 0.64 1.17 -0.28 4.33 4.06 -1.72 -0.93 115.95 123.22 1myf h TRP 7 Ca 0.19 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.17 1myf h TRP 7 Cb -0.05 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 27.71 1myf h TRP 7 CO -0.05 0.68 0.18 0.37 -3.56 0.00 0.00 178.44 176.06 1myf h GLN 8 N 1.21 0.35 -0.02 0.49 5.75 -1.30 0.11 115.11 121.70 1myf h GLN 8 Ca 0.38 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.88 1myf h GLN 8 Cb -0.01 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 1myf h GLN 8 CO -0.12 0.23 -0.15 -0.07 -2.65 0.00 0.00 178.83 176.08 1myf h LEU 9 N 0.36 -0.44 0.39 -2.39 3.38 -0.72 0.12 115.31 116.01 1myf h LEU 9 Ca 0.11 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1myf h LEU 9 Cb -0.03 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1myf h LEU 9 CO -0.03 -0.21 -0.52 0.58 0.09 0.00 0.00 178.44 178.35 1myf h VAL 10 N -0.24 0.01 -0.92 1.22 2.07 -0.69 -0.46 116.25 117.23 1myf h VAL 10 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1myf h VAL 10 Cb 0.31 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1myf h VAL 10 CO -0.16 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.95 1myf h LEU 11 N -0.94 0.95 0.26 2.57 3.38 -0.70 0.38 115.31 121.21 1myf h LEU 11 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1myf h LEU 11 Cb 0.85 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1myf h LEU 11 CO -0.13 0.62 -0.25 -0.74 0.09 0.00 0.00 178.44 178.02 1myf h HIS 12 N 1.09 -0.68 -0.39 1.13 2.76 -0.21 0.97 115.15 119.82 1myf h HIS 12 Ca 0.39 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.52 1myf h HIS 12 Cb 0.12 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1myf h HIS 12 CO -0.02 -0.37 0.04 0.28 -1.30 0.00 0.00 177.93 176.56 1myf h VAL 13 N -0.55 1.20 -0.39 5.26 2.07 -0.60 -2.75 116.25 120.50 1myf h VAL 13 Ca -0.01 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1myf h VAL 13 Cb 0.50 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1myf h VAL 13 CO -0.05 0.27 0.01 -0.25 0.02 0.00 0.00 177.57 177.57 1myf h TRP 14 N 0.58 0.64 -0.54 1.57 2.91 0.34 0.25 115.95 121.70 1myf h TRP 14 Ca 0.13 -0.07 0.09 0.00 1.13 0.00 0.00 58.89 60.17 1myf h TRP 14 Cb 0.31 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 1myf h TRP 14 CO 0.01 0.60 0.37 0.00 -1.03 0.00 0.00 178.44 178.39 1myf h ALA 15 N 1.43 2.03 -0.57 2.65 0.00 -0.51 0.20 119.26 124.49 1myf h ALA 15 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1myf h ALA 15 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1myf h ALA 15 CO 0.01 -0.15 0.00 0.87 0.00 0.00 0.00 179.25 179.99 1myf h LYS 16 N 0.36 0.99 0.66 0.00 1.79 -0.53 0.21 116.57 120.06 1myf h LYS 16 Ca 0.25 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1myf h LYS 16 Cb 0.50 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1myf h LYS 16 CO -0.06 0.97 -0.32 0.28 -1.08 0.00 0.00 179.45 179.24 1myf h VAL 17 N 0.91 0.00 -0.65 0.50 2.07 -0.87 -3.10 116.25 115.11 1myf h VAL 17 Ca 0.17 -0.14 0.19 0.00 0.82 0.00 0.00 66.70 67.73 1myf h VAL 17 Cb 0.53 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1myf h VAL 17 CO 0.03 0.00 0.47 -0.08 0.02 0.00 0.00 177.57 178.01 1myf h GLU 18 N -1.03 0.00 -0.43 1.57 4.57 -0.63 0.11 114.58 118.75 1myf h GLU 18 Ca -0.09 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1myf h GLU 18 Cb 0.68 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1myf h GLU 18 CO 0.15 0.00 0.28 0.00 -1.18 0.00 0.00 179.01 178.26 1myf h ALA 19 N 1.67 1.81 -2.05 2.92 0.00 -0.49 -3.22 119.26 119.91 1myf h ALA 19 Ca 0.31 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.63 1myf h ALA 19 Cb 1.24 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1myf h ALA 19 CO -0.00 0.14 -0.98 -3.47 0.00 0.00 0.00 179.25 174.93 1myf n ASP 20 N -4.48 1.16 -0.02 0.00 2.03 0.33 -4.98 116.55 110.59 1myf n ASP 20 Ca 0.04 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.31 1myf n ASP 20 Cb 0.14 -0.64 -0.07 0.00 -0.72 0.00 0.00 41.12 39.83 1myf n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myf h VAL 21 N 2.23 0.10 -0.52 5.18 2.07 -1.44 -0.28 116.25 123.60 1myf h VAL 21 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1myf h VAL 21 Cb 0.83 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1myf h VAL 21 CO 0.56 0.00 0.17 0.00 0.02 0.00 0.00 177.57 178.32 1myf h ALA 22 N 0.04 0.63 0.35 1.67 0.00 -1.87 0.26 119.26 120.34 1myf h ALA 22 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1myf h ALA 22 Cb 0.64 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1myf h ALA 22 CO -0.43 -0.23 -0.19 0.78 0.00 0.00 0.00 179.25 179.17 1myf h GLY 23 N 0.33 -0.52 1.00 0.00 0.00 -1.68 0.11 103.07 102.30 1myf h GLY 23 Ca 0.25 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1myf h GLY 23 CO -0.28 -0.20 0.17 0.45 0.00 0.00 0.00 176.54 176.69 1myf h HIS 24 N -0.51 0.34 -0.39 5.60 3.86 -0.80 0.08 115.15 123.33 1myf h HIS 24 Ca -0.04 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1myf h HIS 24 Cb 0.40 -0.11 -0.09 0.00 1.06 0.00 0.00 27.41 28.67 1myf h HIS 24 CO -0.07 0.22 -0.27 0.78 0.86 0.00 0.00 177.93 179.45 1myf h GLY 25 N 0.35 -0.11 0.45 2.45 0.00 -0.20 0.19 103.07 106.20 1myf h GLY 25 Ca 0.10 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 1myf h GLY 25 CO -0.02 -0.21 -0.28 -1.61 0.00 0.00 0.00 176.54 174.42 1myf h GLN 26 N -0.21 -0.66 -0.92 4.80 4.15 -0.31 -3.07 115.11 118.89 1myf h GLN 26 Ca 0.18 0.05 0.25 0.00 0.77 0.00 0.00 58.65 59.90 1myf h GLN 26 Cb 0.50 0.15 -0.16 0.00 0.21 0.00 0.00 27.48 28.18 1myf h GLN 26 CO -0.51 -0.44 0.10 -0.44 -1.93 0.00 0.00 178.83 175.61 1myf h ASP 27 N -0.69 -0.30 0.22 -0.69 3.32 -0.40 0.25 116.42 118.14 1myf h ASP 27 Ca -0.06 0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1myf h ASP 27 Cb 0.55 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1myf h ASP 27 CO 0.06 -0.27 -0.17 0.40 -1.72 0.00 0.00 179.24 177.53 1myf h ILE 28 N 0.08 0.63 -0.23 0.35 2.04 -0.56 0.18 117.51 120.00 1myf h ILE 28 Ca 0.56 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.26 1myf h ILE 28 Cb 1.14 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1myf h ILE 28 CO -0.80 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 176.79 1myf h LEU 29 N -0.40 0.70 -0.34 1.44 3.38 -1.04 -0.08 115.31 118.96 1myf h LEU 29 Ca -0.01 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.63 1myf h LEU 29 Cb 0.36 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1myf h LEU 29 CO -0.01 1.07 0.18 0.40 0.09 0.00 0.00 178.44 180.18 1myf h ILE 30 N 0.50 1.01 0.42 1.22 2.04 -0.22 0.95 117.51 123.43 1myf h ILE 30 Ca 0.02 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1myf h ILE 30 Cb 1.04 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1myf h ILE 30 CO 0.10 0.07 -0.20 0.03 0.00 0.00 0.00 178.15 178.14 1myf h ARG 31 N 0.38 -0.55 -0.18 2.37 2.47 -0.44 0.99 114.38 119.42 1myf h ARG 31 Ca 0.14 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.93 1myf h ARG 31 Cb 0.03 0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 1myf h ARG 31 CO -0.09 -0.30 -0.48 1.25 0.56 0.00 0.00 179.97 180.91 1myf h LEU 32 N -0.69 -1.56 -0.52 3.04 5.85 -0.59 0.19 115.31 121.03 1myf h LEU 32 Ca -0.06 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1myf h LEU 32 Cb 0.50 0.62 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1myf h LEU 32 CO 0.10 -0.41 0.26 -0.26 -0.34 0.00 0.00 178.44 177.78 1myf h PHE 33 N -0.47 0.75 -0.28 1.25 0.04 -0.83 -2.50 116.94 114.89 1myf h PHE 33 Ca 0.04 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 1myf h PHE 33 Cb 0.58 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1myf h PHE 33 CO -0.61 0.58 -0.27 -0.22 -0.60 0.00 0.00 178.31 177.19 1myf h LYS 34 N 0.70 0.57 0.37 1.51 3.64 -0.58 -3.33 116.57 119.44 1myf h LYS 34 Ca 0.18 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1myf h LYS 34 Cb 0.11 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1myf h LYS 34 CO -0.02 0.79 -0.18 0.77 -2.27 0.00 0.00 179.45 178.54 1myf h SER 35 N 0.50 -0.42 -3.51 4.20 0.02 -0.52 -3.44 113.55 110.38 1myf h SER 35 Ca 0.07 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.32 1myf h SER 35 Cb 0.73 0.11 -0.39 0.00 0.14 0.00 0.00 62.40 62.99 1myf h SER 35 CO 0.06 0.03 -0.77 -1.38 -1.14 0.00 0.00 176.83 173.62 1myf s HIS 36 N -3.75 2.08 -1.43 3.45 -3.43 -0.95 -5.07 115.29 106.19 1myf s HIS 36 Ca -0.11 -1.61 -0.13 0.00 -0.80 0.00 0.00 55.06 52.41 1myf s HIS 36 Cb 0.01 -1.53 0.06 0.00 -1.43 0.00 0.00 32.58 29.69 1myf s HIS 36 CO 0.38 -0.76 2.18 -0.35 -2.00 0.00 0.00 174.74 174.19 1myf n PRO 37 N 4.75 3.00 0.00 -0.38 -0.04 -1.26 -4.03 135.00 137.04 1myf n PRO 37 Ca -0.09 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.61 1myf n PRO 37 Cb 0.44 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 1myf n PRO 37 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1myf n GLU 38 N 5.68 0.00 0.09 0.54 0.00 -1.26 -4.86 120.64 120.83 1myf n GLU 38 Ca 0.50 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.85 1myf n GLU 38 Cb 0.38 -0.22 0.74 0.00 0.00 0.00 0.00 31.44 32.34 1myf n GLU 38 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1myf h THR 39 N 0.00 0.59 -0.79 3.84 1.35 -1.93 0.42 112.91 116.40 1myf h THR 39 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 1myf h THR 39 Cb 0.00 0.76 -0.05 0.00 -1.73 0.00 0.00 68.15 67.13 1myf h THR 39 CO 0.00 0.00 0.52 0.25 -0.25 0.00 0.00 175.52 176.04 1myf h LEU 40 N 0.00 0.71 -2.55 3.87 5.85 -1.89 -0.89 115.31 120.41 1myf h LEU 40 Ca 0.18 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1myf h LEU 40 Cb 0.82 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1myf h LEU 40 CO -0.00 0.44 0.02 -0.33 -0.34 0.00 0.00 178.44 178.23 1myf h GLU 41 N 0.80 0.00 -0.06 1.25 4.39 -1.06 -0.48 114.58 119.42 1myf h GLU 41 Ca 0.35 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.99 1myf h GLU 41 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1myf h GLU 41 CO -0.13 0.00 -0.24 0.87 -1.16 0.00 0.00 179.01 178.35 1myf h LYS 42 N 0.00 0.10 -0.87 2.33 6.56 -1.29 0.83 116.57 124.22 1myf h LYS 42 Ca 0.01 -0.03 -0.24 0.00 -1.06 0.00 0.00 60.65 59.33 1myf h LYS 42 Cb 0.06 -0.01 -0.14 0.00 -0.57 0.00 0.00 32.23 31.56 1myf h LYS 42 CO -0.00 0.34 0.31 1.19 -2.06 0.00 0.00 179.45 179.22 1myf n PHE 43 N -4.22 2.07 0.00 -1.35 3.01 -0.19 -4.94 117.46 111.84 1myf n PHE 43 Ca -0.02 -1.15 0.00 0.00 1.01 0.00 0.00 57.45 57.29 1myf n PHE 43 Cb 0.32 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1myf n PHE 43 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1myf n ASP 44 N -0.27 0.00 -1.69 4.37 2.03 0.28 0.51 116.55 121.78 1myf n ASP 44 Ca 0.36 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.63 1myf n ASP 44 Cb 1.24 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.66 1myf n ASP 44 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1myf n ARG 45 N 0.00 0.57 -4.15 -0.67 0.63 -1.24 -4.14 116.66 107.66 1myf n ARG 45 Ca 0.00 -0.99 -0.39 0.00 -0.92 0.00 0.00 57.85 55.55 1myf n ARG 45 Cb 0.00 0.45 -0.03 0.00 0.45 0.00 0.00 32.46 33.33 1myf n ARG 45 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1myf n PHE 46 N -0.65 -1.37 0.00 -0.14 -0.00 0.18 -0.48 117.46 115.00 1myf n PHE 46 Ca -0.21 0.33 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1myf n PHE 46 Cb 0.74 -2.87 0.00 0.00 -0.00 0.00 0.00 39.48 37.35 1myf n PHE 46 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1myf n LYS 47 N -4.82 0.00 0.00 -4.13 4.01 -1.02 -2.71 118.16 109.49 1myf n LYS 47 Ca -0.21 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.59 1myf n LYS 47 Cb 0.62 -0.65 0.00 0.00 -0.51 0.00 0.00 35.03 34.50 1myf n LYS 47 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1myf n HIS 48 N 0.65 0.00 -1.99 2.13 1.44 -0.61 -5.14 115.22 111.69 1myf n HIS 48 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1myf n HIS 48 Cb 0.00 0.01 0.03 0.00 0.12 0.00 0.00 29.99 30.16 1myf n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1myf s LEU 49 N 0.00 3.63 0.38 2.39 1.02 0.37 -4.91 118.68 121.56 1myf s LEU 49 Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 54.13 56.48 1myf s LEU 49 Cb 0.00 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.62 1myf s LEU 49 CO 0.00 -1.59 0.00 1.17 0.02 0.00 0.00 176.35 175.95 1myf n LYS 50 N -1.68 0.00 -4.54 1.70 4.81 -1.26 -4.92 118.16 112.27 1myf n LYS 50 Ca 0.13 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.32 1myf n LYS 50 Cb 0.50 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.44 1myf n LYS 50 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1myf s THR 51 N -1.92 1.57 0.44 3.15 -4.23 -1.26 -5.02 115.64 108.37 1myf s THR 51 Ca 0.00 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1myf s THR 51 Cb 0.00 -2.87 0.46 0.00 1.34 0.00 0.00 72.50 71.43 1myf s THR 51 CO 0.00 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.47 1myf h GLU 52 N 1.92 0.21 -0.23 3.99 3.07 -2.01 0.14 114.58 121.67 1myf h GLU 52 Ca -0.42 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.47 1myf h GLU 52 Cb 1.24 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 1myf h GLU 52 CO 0.75 0.14 -0.02 0.00 -1.40 0.00 0.00 179.01 178.48 1myf h ALA 53 N 1.56 0.19 -0.58 3.43 0.00 -1.99 0.59 119.26 122.46 1myf h ALA 53 Ca 0.68 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.56 1myf h ALA 53 Cb 2.07 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.97 1myf h ALA 53 CO -0.29 -0.44 -0.04 0.93 0.00 0.00 0.00 179.25 179.41 1myf h GLU 54 N 0.05 1.06 0.23 0.00 3.07 -1.11 0.09 114.58 117.98 1myf h GLU 54 Ca 0.11 -0.36 0.01 0.00 -0.50 0.00 0.00 59.36 58.62 1myf h GLU 54 Cb 0.15 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1myf h GLU 54 CO -0.20 1.06 -0.28 0.52 -1.40 0.00 0.00 179.01 178.71 1myf h MET 55 N 0.95 -0.54 -0.62 2.33 2.86 -0.65 0.16 114.93 119.42 1myf h MET 55 Ca 0.16 0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 1myf h MET 55 Cb 0.61 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1myf h MET 55 CO 0.04 -0.36 0.06 0.87 1.06 0.00 0.00 176.91 178.58 1myf h LYS 56 N -0.56 1.03 0.00 1.72 1.57 -0.80 -2.21 116.57 117.33 1myf h LYS 56 Ca 0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1myf h LYS 56 Cb 0.53 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1myf h LYS 56 CO -0.09 0.97 -0.06 0.00 -0.57 0.00 0.00 179.45 179.71 1myf h ALA 57 N 1.09 1.02 -0.55 3.86 0.00 -0.56 -3.41 119.26 120.72 1myf h ALA 57 Ca 0.19 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 1myf h ALA 57 Cb 0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1myf h ALA 57 CO 0.02 0.07 0.83 -1.12 0.00 0.00 0.00 179.25 179.05 1myf s SER 58 N -5.82 4.94 0.51 0.00 0.01 0.52 -4.74 113.70 109.12 1myf s SER 58 Ca 0.01 -1.13 0.22 0.00 1.31 0.00 0.00 55.95 56.35 1myf s SER 58 Cb 0.10 -2.58 1.32 0.00 0.21 0.00 0.00 66.02 65.07 1myf s SER 58 CO 0.56 -3.07 2.01 -0.33 0.41 0.00 0.00 173.24 172.83 1myf h GLU 59 N 10.62 0.07 -0.29 12.44 5.08 -1.85 0.25 114.58 140.89 1myf h GLU 59 Ca 0.15 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1myf h GLU 59 Cb 0.97 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1myf h GLU 59 CO 1.20 0.04 -0.24 0.22 -1.00 0.00 0.00 179.01 179.23 1myf h ASP 60 N 0.07 0.57 -0.26 1.42 3.58 -1.96 0.12 116.42 119.95 1myf h ASP 60 Ca 0.22 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1myf h ASP 60 Cb 0.80 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1myf h ASP 60 CO -0.02 0.80 0.07 0.25 -2.88 0.00 0.00 179.24 177.46 1myf h LEU 61 N 0.50 0.39 0.26 2.28 5.85 -0.89 0.29 115.31 123.98 1myf h LEU 61 Ca 0.07 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1myf h LEU 61 Cb 0.68 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1myf h LEU 61 CO 0.05 0.51 -0.13 0.11 -0.34 0.00 0.00 178.44 178.64 1myf h LYS 62 N 0.25 -0.34 -0.95 1.25 1.57 -0.92 0.14 116.57 117.56 1myf h LYS 62 Ca 0.08 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1myf h LYS 62 Cb 0.27 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 1myf h LYS 62 CO 0.00 -0.23 0.60 -0.22 -0.57 0.00 0.00 179.45 179.03 1myf h LYS 63 N -0.35 0.99 -0.06 3.15 3.64 -0.67 0.77 116.57 124.04 1myf h LYS 63 Ca -0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1myf h LYS 63 Cb 0.27 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1myf h LYS 63 CO 0.05 0.65 -0.01 1.25 -2.27 0.00 0.00 179.45 179.13 1myf h HIS 64 N 1.02 0.13 -0.92 1.91 2.76 0.11 -1.46 115.15 118.71 1myf h HIS 64 Ca 0.44 -0.03 0.22 0.00 -2.20 0.00 0.00 60.37 58.80 1myf h HIS 64 Cb 0.32 -0.03 -0.12 0.00 1.55 0.00 0.00 27.41 29.12 1myf h HIS 64 CO -0.02 0.43 0.45 0.78 -1.30 0.00 0.00 177.93 178.28 1myf h GLY 65 N -0.21 1.61 0.94 5.26 0.00 0.16 0.31 103.07 111.14 1myf h GLY 65 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1myf h GLY 65 CO 0.01 -0.23 -0.48 -2.08 0.00 0.00 0.00 176.54 173.75 1myf h VAL 66 N 0.47 0.00 -0.71 4.60 2.07 -0.69 0.10 116.25 122.09 1myf h VAL 66 Ca 0.57 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.23 1myf h VAL 66 Cb 1.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.69 1myf h VAL 66 CO -0.49 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 177.64 1myf h THR 67 N -1.30 0.26 0.03 2.57 2.02 0.10 0.22 112.91 116.81 1myf h THR 67 Ca -0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1myf h THR 67 Cb 1.01 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1myf h THR 67 CO 0.19 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.65 1myf h VAL 68 N -0.02 0.00 -0.06 3.16 2.07 -0.29 -0.24 116.25 120.88 1myf h VAL 68 Ca 0.34 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 1myf h VAL 68 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1myf h VAL 68 CO -0.74 0.00 -0.04 0.17 0.02 0.00 0.00 177.57 176.98 1myf h LEU 69 N -0.04 0.08 -0.80 2.57 8.10 -0.71 -1.41 115.31 123.10 1myf h LEU 69 Ca -0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 57.88 57.87 1myf h LEU 69 Cb 0.03 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1myf h LEU 69 CO 0.01 0.14 -0.23 0.74 -4.11 0.00 0.00 178.44 174.99 1myf h THR 70 N 0.09 1.27 0.52 0.15 2.02 -0.53 0.66 112.91 117.08 1myf h THR 70 Ca 0.02 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 1myf h THR 70 Cb 0.14 1.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1myf h THR 70 CO 0.01 0.42 -0.25 0.00 0.37 0.00 0.00 175.52 176.07 1myf h ALA 71 N 1.18 -0.70 -0.89 6.16 0.00 0.03 0.67 119.26 125.71 1myf h ALA 71 Ca 0.08 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1myf h ALA 71 Cb 0.70 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1myf h ALA 71 CO 0.05 -0.87 0.57 1.25 0.00 0.00 0.00 179.25 180.26 1myf h LEU 72 N -0.75 0.66 0.11 0.00 5.85 -1.17 -1.39 115.31 118.62 1myf h LEU 72 Ca -0.07 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1myf h LEU 72 Cb 0.56 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1myf h LEU 72 CO 0.12 0.34 -0.11 1.23 -0.34 0.00 0.00 178.44 179.68 1myf h GLY 73 N 0.70 -0.23 0.90 3.75 0.00 0.87 0.15 103.07 109.22 1myf h GLY 73 Ca 0.44 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.92 1myf h GLY 73 CO -0.20 -0.11 0.34 0.00 0.00 0.00 0.00 176.54 176.56 1myf h ALA 74 N 0.62 0.70 -0.02 3.60 0.00 -0.19 0.30 119.26 124.28 1myf h ALA 74 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1myf h ALA 74 Cb 0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1myf h ALA 74 CO -0.03 0.06 -0.25 0.82 0.00 0.00 0.00 179.25 179.86 1myf h ILE 75 N 0.67 0.43 -0.51 0.00 2.04 -0.80 -1.21 117.51 118.14 1myf h ILE 75 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1myf h ILE 75 Cb -0.00 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1myf h ILE 75 CO -0.08 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.32 1myf h LEU 76 N -0.37 0.56 -1.14 1.44 3.38 -0.33 -2.85 115.31 116.00 1myf h LEU 76 Ca 0.07 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1myf h LEU 76 Cb 0.46 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1myf h LEU 76 CO -0.23 0.40 0.60 0.50 0.09 0.00 0.00 178.44 179.80 1myf h LYS 77 N 0.67 0.92 0.00 1.13 3.64 0.43 0.35 116.57 123.70 1myf h LYS 77 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1myf h LYS 77 Cb -0.05 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1myf h LYS 77 CO -0.05 0.61 0.00 1.63 -2.27 0.00 0.00 179.45 179.36 1myf n LYS 78 N -4.54 0.70 -4.12 1.90 5.02 -0.54 -4.89 118.16 111.70 1myf n LYS 78 Ca 0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.12 1myf n LYS 78 Cb 0.30 -1.13 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 1myf n LYS 78 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1myf n LYS 79 N -0.63 -3.47 -0.39 1.97 5.02 0.11 -0.87 118.16 119.90 1myf n LYS 79 Ca 0.04 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1myf n LYS 79 Cb 0.02 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 1myf n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myf n GLY 80 N -1.60 0.69 2.76 0.72 0.00 -1.26 -4.99 105.19 101.51 1myf n GLY 80 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1myf n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myf n HIS 81 N -2.00 3.15 -4.38 1.61 8.25 -0.05 -4.98 115.22 116.82 1myf n HIS 81 Ca 0.00 -3.22 -0.19 0.00 -0.26 0.00 0.00 57.72 54.05 1myf n HIS 81 Cb 0.00 -0.91 -0.10 0.00 1.12 0.00 0.00 29.99 30.09 1myf n HIS 81 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1myf s HIS 82 N -3.48 1.74 0.15 4.41 -3.43 -1.26 -4.88 115.29 108.54 1myf s HIS 82 Ca 0.40 -0.92 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 1myf s HIS 82 Cb 0.18 -1.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.28 1myf s HIS 82 CO -0.06 -0.00 0.00 -1.91 -2.00 0.00 0.00 174.74 170.76 1myf n GLU 83 N -0.53 0.00 -0.08 -0.38 0.00 -1.26 -4.98 120.64 113.42 1myf n GLU 83 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.05 1myf n GLU 83 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 32.08 1myf n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1myf h ALA 84 N 0.00 0.25 -0.03 4.31 0.00 -2.01 -0.45 119.26 121.33 1myf h ALA 84 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 1myf h ALA 84 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1myf h ALA 84 CO 0.00 -0.42 0.56 -0.85 0.00 0.00 0.00 179.25 178.54 1myf n GLU 85 N -5.18 2.40 0.15 0.00 0.00 -1.26 -3.43 120.64 113.33 1myf n GLU 85 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 57.16 55.83 1myf n GLU 85 Cb 0.15 -2.18 0.00 0.00 0.00 0.00 0.00 31.44 29.41 1myf n GLU 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1myf n LEU 86 N 2.65 -2.74 -0.23 -1.84 -0.00 -0.78 -4.82 117.00 109.24 1myf n LEU 86 Ca 0.51 0.71 -0.06 0.00 -0.00 0.00 0.00 56.01 57.17 1myf n LEU 86 Cb 0.75 2.70 -0.05 0.00 -0.00 0.00 0.00 43.42 46.83 1myf n LEU 86 CO 0.29 0.16 0.26 1.17 -0.00 0.00 0.00 177.39 179.27 1myf n LYS 87 N -3.21 -0.23 0.20 1.96 3.00 -0.25 0.26 118.16 119.88 1myf n LYS 87 Ca 0.00 0.82 0.08 0.00 -0.00 0.00 0.00 58.31 59.20 1myf n LYS 87 Cb 0.00 -1.20 0.36 0.00 0.00 0.00 0.00 35.03 34.19 1myf n LYS 87 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1myf h PRO 88 N 0.00 0.00 -0.19 1.64 0.13 -1.87 -1.41 132.00 130.31 1myf h PRO 88 Ca 0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 1myf h PRO 88 Cb 0.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 1myf h PRO 88 CO -0.51 0.30 -0.24 1.25 -0.23 0.00 0.00 178.00 178.57 1myf h LEU 89 N 0.00 0.54 0.15 1.56 6.46 -0.53 0.26 115.31 123.74 1myf h LEU 89 Ca -0.00 -0.51 -0.00 0.00 -0.12 0.00 0.00 57.88 57.25 1myf h LEU 89 Cb 0.87 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1myf h LEU 89 CO 0.04 0.94 -0.10 0.00 -0.62 0.00 0.00 178.44 178.70 1myf h ALA 90 N 0.61 -0.23 -0.46 1.25 0.00 -0.72 -0.58 119.26 119.13 1myf h ALA 90 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1myf h ALA 90 Cb 0.81 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1myf h ALA 90 CO 0.06 -0.64 -0.06 0.37 0.00 0.00 0.00 179.25 178.98 1myf h GLN 91 N -0.25 0.05 0.71 0.00 4.15 -1.17 0.37 115.11 118.97 1myf h GLN 91 Ca -0.01 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1myf h GLN 91 Cb 0.22 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.90 1myf h GLN 91 CO 0.00 0.03 -0.34 0.66 -1.93 0.00 0.00 178.83 177.25 1myf h SER 92 N 0.05 -0.81 -0.29 -0.69 4.64 -0.78 -0.78 113.55 114.90 1myf h SER 92 Ca 0.23 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.64 1myf h SER 92 Cb 0.35 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1myf h SER 92 CO -0.43 -0.52 0.31 0.45 -0.87 0.00 0.00 176.83 175.76 1myf h HIS 93 N -1.05 0.00 0.00 4.77 3.86 -0.77 0.16 115.15 122.12 1myf h HIS 93 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1myf h HIS 93 Cb 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1myf h HIS 93 CO -0.01 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.78 1myf n ALA 94 N -2.35 -0.05 0.09 2.45 0.00 0.13 -2.29 120.51 118.49 1myf n ALA 94 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1myf n ALA 94 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1myf n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1myf h THR 95 N 0.00 0.67 0.00 0.00 1.03 -1.07 0.50 112.91 114.04 1myf h THR 95 Ca 0.00 -2.07 -0.12 0.00 -0.01 0.00 0.00 66.41 64.21 1myf h THR 95 Cb 0.00 2.22 -0.02 0.00 -1.07 0.00 0.00 68.15 69.28 1myf h THR 95 CO 0.00 0.38 -1.37 0.29 -0.01 0.00 0.00 175.52 174.82 1myf n LYS 96 N -3.06 0.54 -0.06 0.00 5.02 0.39 -4.57 118.16 116.43 1myf n LYS 96 Ca -0.03 0.25 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 1myf n LYS 96 Cb 0.77 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 34.34 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 -4.42 0.14 -2.08 2.13 8.25 -0.20 -4.91 115.22 114.13 1myf n HIS 97 Ca -0.24 -0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.13 1myf n HIS 97 Cb 0.60 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1myf n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1myf n LYS 98 N -0.17 -1.07 0.00 -0.41 5.02 -1.23 -4.90 118.16 115.40 1myf n LYS 98 Ca 0.03 1.23 0.00 0.00 -2.02 0.00 0.00 58.31 57.54 1myf n LYS 98 Cb 0.16 -3.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.89 1myf n LYS 98 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1myf n ILE 99 N -0.35 0.00 -0.50 -0.18 3.06 0.17 -4.86 119.36 116.69 1myf n ILE 99 Ca 0.05 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.17 1myf n ILE 99 Cb 0.18 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.31 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 0.00 0.00 0.21 9.51 -0.02 -1.26 -4.73 135.00 138.70 1myf n PRO 100 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.66 1myf n PRO 100 Cb 0.00 -0.48 0.75 0.00 -0.02 0.00 0.00 33.50 33.75 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 2.63 0.18 -0.88 4.25 2.04 -1.92 -0.15 117.51 123.66 1myf h ILE 101 Ca -0.01 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 1myf h ILE 101 Cb 0.43 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1myf h ILE 101 CO 0.47 0.00 0.58 0.50 0.00 0.00 0.00 178.15 179.70 1myf h LYS 102 N 0.00 0.51 -0.43 2.37 3.64 -1.99 0.32 116.57 120.99 1myf h LYS 102 Ca 0.11 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1myf h LYS 102 Cb 0.95 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1myf h LYS 102 CO -0.00 0.34 -0.06 1.88 -2.27 0.00 0.00 179.45 179.33 1myf h TYR 103 N 0.52 0.79 -0.24 1.91 0.05 -1.38 0.91 116.97 119.54 1myf h TYR 103 Ca 0.45 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 59.01 1myf h TYR 103 Cb 0.95 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 1myf h TYR 103 CO -0.00 0.78 -0.25 -0.07 -1.05 0.00 0.00 178.16 177.56 1myf h LEU 104 N 0.68 0.46 -0.42 3.88 3.38 -0.64 0.13 115.31 122.78 1myf h LEU 104 Ca 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1myf h LEU 104 Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1myf h LEU 104 CO 0.03 0.71 0.26 -0.33 0.09 0.00 0.00 178.44 179.20 1myf h GLU 105 N 0.41 0.56 -0.70 1.13 5.08 -0.24 0.20 114.58 121.02 1myf h GLU 105 Ca 0.06 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1myf h GLU 105 Cb 0.66 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1myf h GLU 105 CO 0.05 0.40 0.43 0.74 -1.00 0.00 0.00 179.01 179.62 1myf h PHE 106 N 0.56 0.80 0.00 4.33 0.04 0.09 -0.05 116.94 122.70 1myf h PHE 106 Ca 0.15 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.85 1myf h PHE 106 Cb -0.03 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 1myf h PHE 106 CO -0.04 0.43 -0.43 0.97 -0.60 0.00 0.00 178.31 178.64 1myf h ILE 107 N 0.82 1.31 -0.15 -0.55 2.10 -0.13 0.12 117.51 121.02 1myf h ILE 107 Ca 0.29 -1.49 -0.01 0.00 1.08 0.00 0.00 64.86 64.73 1myf h ILE 107 Cb 0.08 1.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.61 1myf h ILE 107 CO -0.13 0.42 0.05 0.77 -1.08 0.00 0.00 178.15 178.18 1myf h SER 108 N 0.00 0.22 -0.84 2.19 4.64 -0.01 0.33 113.55 120.09 1myf h SER 108 Ca -0.00 -0.21 0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1myf h SER 108 Cb 0.77 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 1myf h SER 108 CO 0.06 0.37 0.50 -0.33 -0.87 0.00 0.00 176.83 176.55 1myf h GLU 109 N 0.06 0.84 0.62 4.77 5.08 -0.69 0.22 114.58 125.47 1myf h GLU 109 Ca 0.05 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1myf h GLU 109 Cb 0.23 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1myf h GLU 109 CO -0.00 0.55 -0.34 0.00 -1.00 0.00 0.00 179.01 178.22 1myf h ALA 110 N 1.43 -0.90 -0.76 3.43 0.00 -0.28 0.24 119.26 122.43 1myf h ALA 110 Ca 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1myf h ALA 110 Cb 0.29 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1myf h ALA 110 CO -0.22 -1.01 0.40 0.97 0.00 0.00 0.00 179.25 179.39 1myf h ILE 111 N -0.89 1.23 -0.50 0.00 2.10 -0.58 0.14 117.51 119.01 1myf h ILE 111 Ca -0.08 -0.59 0.03 0.00 1.08 0.00 0.00 64.86 65.29 1myf h ILE 111 Cb 0.70 0.21 -0.04 0.00 -1.09 0.00 0.00 36.82 36.61 1myf h ILE 111 CO 0.11 0.26 0.29 0.40 -1.08 0.00 0.00 178.15 178.13 1myf h ILE 112 N 1.07 1.03 -0.22 2.19 2.04 -0.79 0.25 117.51 123.08 1myf h ILE 112 Ca 0.27 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1myf h ILE 112 Cb 0.05 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1myf h ILE 112 CO -0.04 0.10 0.10 -0.74 0.00 0.00 0.00 178.15 177.57 1myf h HIS 113 N 0.57 0.19 -0.01 1.37 2.76 0.16 0.62 115.15 120.81 1myf h HIS 113 Ca 0.21 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1myf h HIS 113 Cb 0.05 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1myf h HIS 113 CO -0.07 0.10 -0.09 0.28 -1.30 0.00 0.00 177.93 176.85 1myf h VAL 114 N 0.22 0.76 0.10 5.26 2.07 -0.09 0.77 116.25 125.34 1myf h VAL 114 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1myf h VAL 114 Cb 0.03 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1myf h VAL 114 CO -0.07 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 177.24 1myf h LEU 115 N -0.16 -0.60 -0.51 2.57 3.38 -0.74 0.19 115.31 119.44 1myf h LEU 115 Ca 0.04 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1myf h LEU 115 Cb 0.21 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1myf h LEU 115 CO -0.10 -0.29 0.27 -0.74 0.09 0.00 0.00 178.44 177.67 1myf h HIS 116 N -0.39 0.51 -0.05 1.13 2.76 -0.59 0.33 115.15 118.84 1myf h HIS 116 Ca 0.03 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1myf h HIS 116 Cb 0.42 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1myf h HIS 116 CO -0.21 0.26 -0.11 0.77 -1.30 0.00 0.00 177.93 177.34 1myf h SER 117 N 0.54 0.18 0.58 3.26 0.02 -0.60 -2.95 113.55 114.58 1myf h SER 117 Ca 0.22 -0.57 -0.27 0.00 -0.84 0.00 0.00 61.79 60.32 1myf h SER 117 Cb 0.09 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.59 1myf h SER 117 CO -0.13 0.72 -1.21 -0.09 -1.14 0.00 0.00 176.83 174.97 1myf h ARG 118 N -0.35 0.30 -2.17 3.45 2.43 -0.61 -3.39 114.38 114.05 1myf h ARG 118 Ca 0.00 -0.48 -0.55 0.00 -0.81 0.00 0.00 59.98 58.14 1myf h ARG 118 Cb 0.69 0.18 -0.41 0.00 -0.42 0.00 0.00 29.97 30.01 1myf h ARG 118 CO 0.02 1.22 -0.85 0.72 -1.51 0.00 0.00 179.97 179.57 1myf n HIS 119 N -3.57 2.63 -1.83 2.20 8.25 0.12 -5.06 115.22 117.95 1myf n HIS 119 Ca -0.09 -3.92 -0.35 0.00 -0.26 0.00 0.00 57.72 53.10 1myf n HIS 119 Cb 1.00 -0.46 0.05 0.00 1.12 0.00 0.00 29.99 31.70 1myf n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1myf s PRO 120 N -3.10 2.74 0.00 -0.41 0.04 -1.12 -0.40 135.00 132.76 1myf s PRO 120 Ca 0.46 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1myf s PRO 120 Cb 0.31 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1myf s PRO 120 CO -0.12 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1myf n GLY 121 N 0.34 1.44 0.26 0.56 0.00 -1.26 -4.38 105.19 102.15 1myf n GLY 121 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1myf n GLY 121 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1myf h ASP 122 N 0.00 0.85 -0.43 1.61 3.58 -1.95 -3.00 116.42 117.08 1myf h ASP 122 Ca 0.00 -0.25 -0.71 0.00 0.42 0.00 0.00 57.03 56.49 1myf h ASP 122 Cb 0.00 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.78 1myf h ASP 122 CO 0.00 0.88 3.10 0.33 -2.88 0.00 0.00 179.24 180.68 1myf n PHE 123 N -4.38 2.85 -1.76 0.28 7.35 0.47 -4.87 117.46 117.39 1myf n PHE 123 Ca 0.02 -2.96 -0.32 0.00 -0.76 0.00 0.00 57.45 53.43 1myf n PHE 123 Cb 0.25 -2.30 0.04 0.00 0.35 0.00 0.00 39.48 37.81 1myf n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1myf s GLY 124 N 1.91 1.88 0.30 7.13 0.00 -1.14 -4.67 107.32 112.74 1myf s GLY 124 Ca 0.56 0.24 0.03 0.00 0.00 0.00 0.00 44.72 45.55 1myf s GLY 124 CO -0.06 0.55 1.51 0.00 0.00 0.00 0.00 173.10 175.10 1myf n ALA 125 N -2.66 0.54 -0.10 3.20 0.00 -1.26 0.02 120.51 120.24 1myf n ALA 125 Ca 0.08 1.03 -0.07 0.00 0.00 0.00 0.00 53.44 54.48 1myf n ALA 125 Cb 0.53 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1myf n ALA 125 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1myf h ASP 126 N 0.00 0.28 -0.20 0.00 2.03 -1.98 0.10 116.42 116.66 1myf h ASP 126 Ca 0.61 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.90 1myf h ASP 126 Cb 1.29 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1myf h ASP 126 CO -0.89 0.21 0.05 0.00 -1.03 0.00 0.00 179.24 177.58 1myf h ALA 127 N 1.17 0.26 -0.28 4.15 0.00 -0.75 -0.62 119.26 123.20 1myf h ALA 127 Ca 0.14 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1myf h ALA 127 Cb 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1myf h ALA 127 CO -0.09 -0.10 -0.17 1.96 0.00 0.00 0.00 179.25 180.85 1myf h GLN 128 N 0.14 -0.14 -0.23 0.00 4.20 -0.47 0.14 115.11 118.75 1myf h GLN 128 Ca 0.06 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1myf h GLN 128 Cb 0.25 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1myf h GLN 128 CO -0.00 -0.09 0.05 0.78 -0.67 0.00 0.00 178.83 178.90 1myf h GLY 129 N -0.14 0.26 0.86 3.46 0.00 -0.67 0.25 103.07 107.08 1myf h GLY 129 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1myf h GLY 129 CO -0.37 -0.00 -0.25 0.00 0.00 0.00 0.00 176.54 175.92 1myf h ALA 130 N 1.17 -0.61 -0.54 3.60 0.00 -0.29 -0.01 119.26 122.57 1myf h ALA 130 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1myf h ALA 130 Cb 0.10 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1myf h ALA 130 CO -0.14 -0.86 0.07 1.98 0.00 0.00 0.00 179.25 180.31 1myf h MET 131 N -0.62 0.87 -0.44 0.00 -1.53 -0.67 -0.55 114.93 112.00 1myf h MET 131 Ca -0.04 -0.21 0.03 0.00 -3.44 0.00 0.00 59.70 56.05 1myf h MET 131 Cb 0.52 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.42 1myf h MET 131 CO 0.03 0.82 0.22 -0.97 0.14 0.00 0.00 176.91 177.15 1myf h ASN 132 N 0.82 0.32 -0.44 1.39 -0.73 -0.27 0.28 115.58 116.95 1myf h ASN 132 Ca 0.17 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 1myf h ASN 132 Cb 0.39 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 1myf h ASN 132 CO 0.01 0.23 0.25 0.11 -0.37 0.00 0.00 177.43 177.66 1myf h LYS 133 N 0.44 0.60 -0.62 6.67 1.79 -0.69 0.15 116.57 124.91 1myf h LYS 133 Ca 0.19 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1myf h LYS 133 Cb 0.09 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1myf h LYS 133 CO -0.13 0.46 0.41 0.00 -1.08 0.00 0.00 179.45 179.11 1myf h ALA 134 N 1.10 0.79 -0.92 3.86 0.00 -0.34 0.17 119.26 123.92 1myf h ALA 134 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1myf h ALA 134 Cb 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1myf h ALA 134 CO -0.03 0.21 0.57 -0.07 0.00 0.00 0.00 179.25 179.94 1myf h LEU 135 N 0.84 1.08 -0.52 0.00 3.38 -0.17 -0.74 115.31 119.18 1myf h LEU 135 Ca 0.23 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1myf h LEU 135 Cb -0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1myf h LEU 135 CO -0.05 0.82 0.14 -0.08 0.09 0.00 0.00 178.44 179.36 1myf h GLU 136 N 1.26 0.82 -0.33 1.13 4.81 0.60 0.92 114.58 123.79 1myf h GLU 136 Ca 0.33 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1myf h GLU 136 Cb -0.09 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1myf h GLU 136 CO -0.07 0.77 0.13 -0.07 -0.73 0.00 0.00 179.01 179.05 1myf h LEU 137 N 0.72 0.16 0.19 1.64 3.38 -0.12 0.25 115.31 121.53 1myf h LEU 137 Ca 0.16 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1myf h LEU 137 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1myf h LEU 137 CO -0.00 0.13 -0.23 0.15 0.09 0.00 0.00 178.44 178.58 1myf h PHE 138 N 0.28 -0.61 -0.70 1.13 3.57 -0.41 0.92 116.94 121.12 1myf h PHE 138 Ca 0.14 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.73 1myf h PHE 138 Cb 0.10 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1myf h PHE 138 CO -0.12 -0.34 0.36 -0.09 -2.23 0.00 0.00 178.31 175.89 1myf h ARG 139 N -0.47 0.62 -0.48 1.11 2.43 -0.58 -0.18 114.38 116.83 1myf h ARG 139 Ca 0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1myf h ARG 139 Cb 0.46 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1myf h ARG 139 CO -0.08 0.41 0.13 -0.22 -1.51 0.00 0.00 179.97 178.69 1myf h LYS 140 N 0.63 0.71 -0.13 0.20 3.64 0.22 0.29 116.57 122.13 1myf h LYS 140 Ca 0.33 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1myf h LYS 140 Cb 0.30 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1myf h LYS 140 CO -0.24 0.64 0.02 0.22 -2.27 0.00 0.00 179.45 177.83 1myf h ASP 141 N 0.70 0.21 -0.35 4.20 1.82 0.90 0.95 116.42 124.85 1myf h ASP 141 Ca 0.16 -0.26 0.06 0.00 -0.39 0.00 0.00 57.03 56.60 1myf h ASP 141 Cb 0.24 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.15 1myf h ASP 141 CO -0.00 0.41 0.02 0.40 -1.61 0.00 0.00 179.24 178.46 1myf h ILE 142 N -0.00 0.76 -0.35 2.25 1.08 -0.85 0.62 117.51 121.02 1myf h ILE 142 Ca 0.04 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1myf h ILE 142 Cb 0.29 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1myf h ILE 142 CO 0.00 0.02 0.17 0.00 -0.69 0.00 0.00 178.15 177.65 1myf h ALA 143 N 1.29 0.43 -0.59 1.87 0.00 -0.69 0.24 119.26 121.81 1myf h ALA 143 Ca 0.17 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1myf h ALA 143 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1myf h ALA 143 CO -0.27 -0.21 0.37 0.00 0.00 0.00 0.00 179.25 179.14 1myf h ALA 144 N 1.19 0.75 -0.68 0.00 0.00 -0.37 -0.76 119.26 119.39 1myf h ALA 144 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1myf h ALA 144 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1myf h ALA 144 CO -0.11 0.12 0.27 0.87 0.00 0.00 0.00 179.25 180.40 1myf h LYS 145 N 0.74 1.02 0.04 0.00 6.56 -0.05 0.15 116.57 125.03 1myf h LYS 145 Ca 0.23 -0.19 0.02 0.00 -1.06 0.00 0.00 60.65 59.65 1myf h LYS 145 Cb -0.02 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.45 1myf h LYS 145 CO -0.08 0.85 -0.15 1.88 -2.06 0.00 0.00 179.45 179.89 1myf h TYR 146 N 0.97 -0.39 -0.30 -1.35 -1.99 -0.09 0.16 116.97 113.97 1myf h TYR 146 Ca 0.23 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.99 1myf h TYR 146 Cb 0.22 0.17 -0.03 0.00 2.00 0.00 0.00 36.73 39.09 1myf h TYR 146 CO 0.02 -0.22 0.14 0.87 -0.00 0.00 0.00 178.16 178.96 1myf h LYS 147 N -0.27 0.29 -0.61 4.88 1.57 -0.95 0.24 116.57 121.72 1myf h LYS 147 Ca 0.04 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1myf h LYS 147 Cb 0.32 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1myf h LYS 147 CO -0.12 0.19 0.30 0.93 -0.57 0.00 0.00 179.45 180.18 1myf h GLU 148 N 0.30 0.54 0.00 3.15 5.08 -0.48 -0.94 114.58 122.22 1myf h GLU 148 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1myf h GLU 148 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1myf h GLU 148 CO -0.10 0.36 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 1myf n LEU 149 N -4.87 0.00 0.00 1.33 4.77 0.50 -4.85 117.00 113.88 1myf n LEU 149 Ca 0.07 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1myf n LEU 149 Cb 0.19 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1myf n LEU 149 CO 0.27 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1myf n GLY 150 N -0.37 0.98 3.11 -0.72 0.00 -0.36 -5.03 105.19 102.80 1myf n GLY 150 Ca 0.03 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1myf n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1myf s TYR 151 N -2.00 3.72 -1.18 1.61 1.51 0.80 -5.00 117.35 116.82 1myf s TYR 151 Ca 0.00 -2.88 -0.19 0.00 -1.01 0.00 0.00 57.07 52.98 1myf s TYR 151 Cb 0.00 -3.25 -0.03 0.00 -0.11 0.00 0.00 41.96 38.57 1myf s TYR 151 CO 0.00 -0.78 1.96 1.04 -1.11 0.00 0.00 175.55 176.66 1myf n GLN 152 N 2.78 2.30 0.00 -0.62 1.13 -1.26 -3.35 117.38 118.35 1myf n GLN 152 Ca 0.17 -2.55 0.00 0.00 -1.94 0.00 0.00 57.00 52.68 1myf n GLN 152 Cb 0.38 -3.35 0.00 0.00 0.11 0.00 0.00 30.24 27.38 1myf n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03