#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abs s VAL 1 N 0.00 -0.12 0.28 3.17 1.01 -1.26 -5.05 120.40 118.43 1abs s VAL 1 Ca 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1abs s VAL 1 Cb 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 1abs s VAL 1 CO 0.00 0.12 0.77 -0.76 0.00 0.00 0.00 175.10 175.23 1abs s LEU 2 N 1.66 4.24 0.71 3.92 1.02 -1.26 -5.06 118.68 123.90 1abs s LEU 2 Ca -0.03 1.45 -0.11 0.00 0.02 0.00 0.00 54.13 55.46 1abs s LEU 2 Cb -0.12 -3.84 0.01 0.00 0.02 0.00 0.00 46.19 42.26 1abs s LEU 2 CO -0.04 -0.07 1.10 -0.94 0.02 0.00 0.00 176.35 176.41 1abs s SER 3 N -1.85 5.44 0.30 2.29 1.04 -1.26 -4.90 113.70 114.76 1abs s SER 3 Ca 0.48 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 58.03 1abs s SER 3 Cb -0.15 -1.94 0.46 0.00 0.10 0.00 0.00 66.02 64.49 1abs s SER 3 CO 0.20 -1.34 1.95 -0.08 0.98 0.00 0.00 173.24 174.94 1abs h GLU 4 N -0.66 1.02 -0.82 4.02 4.57 -1.99 -1.51 114.58 119.21 1abs h GLU 4 Ca -0.45 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 57.67 1abs h GLU 4 Cb 1.25 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 1abs h GLU 4 CO 0.64 0.71 0.53 0.78 -1.18 0.00 0.00 179.01 180.49 1abs h GLY 5 N 1.06 1.17 0.95 1.92 0.00 -1.99 0.04 103.07 106.21 1abs h GLY 5 Ca 0.27 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1abs h GLY 5 CO -0.05 0.38 0.04 0.83 0.00 0.00 0.00 176.54 177.74 1abs h GLU 6 N 1.07 0.71 -0.62 4.80 5.08 -1.79 -2.36 114.58 121.47 1abs h GLU 6 Ca 0.31 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1abs h GLU 6 Cb -0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1abs h GLU 6 CO -0.09 0.76 0.34 -1.49 -1.00 0.00 0.00 179.01 177.54 1abs h TRP 7 N 0.55 0.82 -0.27 4.33 4.06 -0.98 -1.73 115.95 122.74 1abs h TRP 7 Ca 0.12 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.99 1abs h TRP 7 Cb 0.42 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1abs h TRP 7 CO 0.03 0.57 -0.16 1.96 -3.56 0.00 0.00 178.44 177.29 1abs h GLN 8 N 0.85 0.47 -0.12 0.49 1.08 -0.64 0.20 115.11 117.44 1abs h GLN 8 Ca 0.22 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 57.19 1abs h GLN 8 Cb 0.01 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1abs h GLN 8 CO -0.04 0.61 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.06 1abs h LEU 9 N 0.43 0.25 -0.10 1.46 3.38 -0.83 0.48 115.31 120.39 1abs h LEU 9 Ca 0.08 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1abs h LEU 9 Cb 0.53 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1abs h LEU 9 CO 0.03 0.57 -0.16 0.58 0.09 0.00 0.00 178.44 179.55 1abs h VAL 10 N 0.21 1.39 0.00 1.22 2.07 -0.65 -2.87 116.25 117.63 1abs h VAL 10 Ca 0.03 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1abs h VAL 10 Cb 0.69 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1abs h VAL 10 CO 0.05 0.41 -0.13 -0.07 0.02 0.00 0.00 177.57 177.85 1abs h LEU 11 N -0.17 0.00 -0.22 2.57 3.38 -0.84 -1.84 115.31 118.19 1abs h LEU 11 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1abs h LEU 11 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1abs h LEU 11 CO 0.04 0.13 -0.85 0.45 0.09 0.00 0.00 178.44 178.30 1abs h HIS 12 N 0.00 0.75 0.00 1.13 3.86 -0.77 -1.51 115.15 118.60 1abs h HIS 12 Ca -0.00 -0.36 -0.19 0.00 -1.16 0.00 0.00 60.37 58.66 1abs h HIS 12 Cb 0.71 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.05 1abs h HIS 12 CO 0.00 1.17 -0.89 -0.24 0.86 0.00 0.00 177.93 178.83 1abs h VAL 13 N 0.33 1.61 -0.08 2.45 3.04 -1.38 -3.21 116.25 119.02 1abs h VAL 13 Ca -0.06 -3.09 -0.06 0.00 -1.01 0.00 0.00 66.70 62.48 1abs h VAL 13 Cb 1.47 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 33.42 1abs h VAL 13 CO 0.16 0.87 -0.21 -0.25 -1.01 0.00 0.00 177.57 177.13 1abs h TRP 14 N 0.00 0.13 -0.15 3.17 2.91 -1.13 -1.17 115.95 119.72 1abs h TRP 14 Ca -0.01 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 1abs h TRP 14 Cb 1.61 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 30.21 1abs h TRP 14 CO 0.00 0.34 0.09 0.00 -1.03 0.00 0.00 178.44 177.84 1abs h ALA 15 N 1.67 1.88 0.07 2.65 0.00 -1.28 -0.70 119.26 123.55 1abs h ALA 15 Ca 0.02 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1abs h ALA 15 Cb 0.45 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1abs h ALA 15 CO 0.03 0.11 -1.13 0.87 0.00 0.00 0.00 179.25 179.13 1abs h LYS 16 N 0.20 0.55 -0.88 0.00 1.79 -1.31 -3.16 116.57 113.76 1abs h LYS 16 Ca 0.05 -0.68 0.08 0.00 -2.18 0.00 0.00 60.65 57.93 1abs h LYS 16 Cb -0.01 0.21 -0.06 0.00 -1.58 0.00 0.00 32.23 30.79 1abs h LYS 16 CO -0.01 1.28 0.57 0.28 -1.08 0.00 0.00 179.45 180.49 1abs h VAL 17 N 0.27 1.00 0.00 0.50 2.07 -0.90 -1.38 116.25 117.81 1abs h VAL 17 Ca -0.14 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1abs h VAL 17 Cb 1.79 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1abs h VAL 17 CO 0.21 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 1abs n GLU 18 N -4.51 0.06 0.28 1.57 1.02 -0.34 -1.73 120.64 117.00 1abs n GLU 18 Ca 0.14 0.34 0.16 0.00 -0.02 0.00 0.00 57.16 57.79 1abs n GLU 18 Cb 0.27 -1.63 0.81 0.00 -0.02 0.00 0.00 31.44 30.86 1abs n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1abs h ALA 19 N 2.36 1.11 -0.09 0.62 0.00 -1.29 -3.38 119.26 118.60 1abs h ALA 19 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1abs h ALA 19 Cb 0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 1abs h ALA 19 CO 0.00 0.08 -0.44 -3.47 0.00 0.00 0.00 179.25 175.42 1abs n ASP 20 N -3.32 -2.76 0.14 0.00 2.03 -0.70 -5.02 116.55 106.91 1abs n ASP 20 Ca -0.01 -3.08 0.07 0.00 0.52 0.00 0.00 54.79 52.29 1abs n ASP 20 Cb 0.23 1.70 0.56 0.00 -0.72 0.00 0.00 41.12 42.89 1abs n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1abs h VAL 21 N 2.98 1.03 -0.41 5.18 3.04 -1.65 -2.56 116.25 123.87 1abs h VAL 21 Ca -0.14 -0.08 -0.05 0.00 -1.01 0.00 0.00 66.70 65.43 1abs h VAL 21 Cb 1.06 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 1abs h VAL 21 CO 0.24 0.04 0.08 0.00 -1.01 0.00 0.00 177.57 176.92 1abs h ALA 22 N 1.89 0.54 -0.47 3.17 0.00 -1.91 0.20 119.26 122.68 1abs h ALA 22 Ca 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1abs h ALA 22 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1abs h ALA 22 CO -0.01 0.24 0.08 0.78 0.00 0.00 0.00 179.25 180.34 1abs h GLY 23 N 0.52 0.84 1.21 0.00 0.00 -1.88 -1.65 103.07 102.11 1abs h GLY 23 Ca 0.12 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1abs h GLY 23 CO 0.01 0.51 0.13 0.45 0.00 0.00 0.00 176.54 177.64 1abs h HIS 24 N 0.65 1.02 -0.68 5.60 3.86 -1.19 -2.39 115.15 122.02 1abs h HIS 24 Ca 0.14 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1abs h HIS 24 Cb 0.38 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1abs h HIS 24 CO 0.03 0.85 0.22 0.78 0.86 0.00 0.00 177.93 180.67 1abs h GLY 25 N 1.03 1.12 0.95 2.45 0.00 -0.64 -1.02 103.07 106.97 1abs h GLY 25 Ca 0.20 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1abs h GLY 25 CO 0.00 0.61 0.03 1.46 0.00 0.00 0.00 176.54 178.64 1abs h GLN 26 N 0.98 0.06 -0.68 4.80 4.20 -1.14 -1.19 115.11 122.15 1abs h GLN 26 Ca 0.22 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.98 1abs h GLN 26 Cb 0.28 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1abs h GLN 26 CO -0.01 0.09 0.38 -0.44 -0.67 0.00 0.00 178.83 178.18 1abs h ASP 27 N 0.01 0.57 -0.23 1.46 5.19 -1.21 -0.98 116.42 121.23 1abs h ASP 27 Ca 0.02 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.38 1abs h ASP 27 Cb 0.05 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1abs h ASP 27 CO -0.00 0.37 -0.13 0.40 -3.12 0.00 0.00 179.24 176.75 1abs h ILE 28 N 0.70 1.31 -0.57 0.35 2.04 -1.05 -0.74 117.51 119.55 1abs h ILE 28 Ca 0.30 -1.22 -0.11 0.00 1.00 0.00 0.00 64.86 64.83 1abs h ILE 28 Cb 0.18 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1abs h ILE 28 CO -0.18 0.38 -0.06 -0.07 0.00 0.00 0.00 178.15 178.22 1abs h LEU 29 N 0.20 1.05 -1.04 1.44 3.38 -1.10 -1.44 115.31 117.80 1abs h LEU 29 Ca 0.05 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1abs h LEU 29 Cb 0.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1abs h LEU 29 CO 0.04 1.13 -0.12 0.40 0.09 0.00 0.00 178.44 179.98 1abs h ILE 30 N 0.94 1.24 -0.08 1.22 2.04 -1.17 -1.17 117.51 120.54 1abs h ILE 30 Ca 0.16 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 1abs h ILE 30 Cb 0.63 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1abs h ILE 30 CO 0.04 0.34 -0.49 -0.09 0.00 0.00 0.00 178.15 177.96 1abs h ARG 31 N 0.50 0.19 0.06 2.37 9.65 -0.89 -0.47 114.38 125.80 1abs h ARG 31 Ca 0.09 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1abs h ARG 31 Cb 0.51 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1abs h ARG 31 CO 0.03 0.64 -0.03 1.25 2.80 0.00 0.00 179.97 184.66 1abs h LEU 32 N 0.15 -0.07 -1.14 3.80 5.85 -0.93 -0.87 115.31 122.10 1abs h LEU 32 Ca 0.01 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1abs h LEU 32 Cb 0.92 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1abs h LEU 32 CO 0.07 0.34 0.19 -0.26 -0.34 0.00 0.00 178.44 178.44 1abs h PHE 33 N -0.49 0.81 -0.03 1.25 0.04 -1.01 -0.34 116.94 117.17 1abs h PHE 33 Ca -0.01 -0.05 -0.22 0.00 2.80 0.00 0.00 57.97 60.49 1abs h PHE 33 Cb 0.43 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1abs h PHE 33 CO 0.06 0.64 -0.90 0.87 -0.60 0.00 0.00 178.31 178.39 1abs h LYS 34 N 0.79 0.46 0.06 1.51 1.57 -0.96 -2.75 116.57 117.25 1abs h LYS 34 Ca 0.18 -0.46 -0.24 0.00 -1.87 0.00 0.00 60.65 58.27 1abs h LYS 34 Cb 0.20 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1abs h LYS 34 CO -0.01 1.10 -1.08 0.77 -0.57 0.00 0.00 179.45 179.66 1abs h SER 35 N 0.27 0.29 -2.48 0.86 0.02 -1.08 -3.38 113.55 108.05 1abs h SER 35 Ca -0.07 -0.29 -0.59 0.00 -0.84 0.00 0.00 61.79 60.00 1abs h SER 35 Cb 1.52 -0.09 -0.39 0.00 0.14 0.00 0.00 62.40 63.58 1abs h SER 35 CO 0.16 1.18 -0.90 1.41 -1.14 0.00 0.00 176.83 177.53 1abs n HIS 36 N -3.54 -0.10 0.24 3.45 8.25 -0.14 -5.00 115.22 118.38 1abs n HIS 36 Ca -0.05 -3.51 0.17 0.00 -0.26 0.00 0.00 57.72 54.07 1abs n HIS 36 Cb 0.94 0.07 0.87 0.00 1.12 0.00 0.00 29.99 32.99 1abs n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1abs h PRO 37 N 5.51 0.00 0.00 -0.41 0.11 -1.68 -0.76 132.00 134.76 1abs h PRO 37 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1abs h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1abs h PRO 37 CO 0.44 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.25 1abs h GLU 38 N 0.00 0.00 -0.02 1.05 9.09 -1.92 -1.69 114.58 121.09 1abs h GLU 38 Ca 0.06 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.35 1abs h GLU 38 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.42 1abs h GLU 38 CO -0.00 0.03 -0.52 1.79 0.05 0.00 0.00 179.01 180.36 1abs h THR 39 N 0.00 1.37 0.00 -1.06 1.35 -1.46 -2.52 112.91 110.59 1abs h THR 39 Ca -0.00 -1.79 -0.04 0.00 -0.55 0.00 0.00 66.41 64.03 1abs h THR 39 Cb 0.18 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1abs h THR 39 CO 0.00 0.52 -0.18 0.25 -0.25 0.00 0.00 175.52 175.86 1abs h LEU 40 N 0.04 0.00 -2.45 3.87 5.85 -1.47 -2.22 115.31 118.93 1abs h LEU 40 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1abs h LEU 40 Cb 0.94 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1abs h LEU 40 CO 0.07 0.18 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.00 1abs h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.54 -1.56 114.58 117.81 1abs h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1abs h GLU 41 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1abs h GLU 41 CO 0.02 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 1abs n LYS 42 N -3.40 0.09 -3.44 2.33 4.76 -0.83 -4.60 118.16 113.07 1abs n LYS 42 Ca -0.02 0.21 -0.43 0.00 -2.87 0.00 0.00 58.31 55.19 1abs n LYS 42 Cb 0.14 -1.63 -0.08 0.00 -1.84 0.00 0.00 35.03 31.61 1abs n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1abs s PHE 43 N -3.08 3.27 0.23 2.13 0.40 -0.59 -4.91 117.98 115.43 1abs s PHE 43 Ca 0.09 -1.13 0.29 0.00 -0.60 0.00 0.00 56.93 55.58 1abs s PHE 43 Cb 0.13 -3.18 1.30 0.00 0.51 0.00 0.00 43.02 41.77 1abs s PHE 43 CO 0.43 -0.83 1.97 -0.44 0.70 0.00 0.00 175.22 177.05 1abs h ASP 44 N 8.67 0.00 0.66 1.36 3.32 -1.85 0.64 116.42 129.22 1abs h ASP 44 Ca -0.27 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.55 1abs h ASP 44 Cb 1.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1abs h ASP 44 CO 0.86 0.12 -1.04 0.03 -1.72 0.00 0.00 179.24 177.49 1abs h ARG 45 N 0.00 0.20 -0.04 3.56 3.08 -1.95 -3.36 114.38 115.88 1abs h ARG 45 Ca -0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1abs h ARG 45 Cb 0.52 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1abs h ARG 45 CO 0.02 1.07 0.00 1.19 -1.07 0.00 0.00 179.97 181.18 1abs n PHE 46 N -3.56 0.04 0.56 3.04 3.72 -0.94 -4.77 117.46 115.55 1abs n PHE 46 Ca -0.05 -0.08 0.07 0.00 -0.05 0.00 0.00 57.45 57.34 1abs n PHE 46 Cb 0.91 -0.01 0.33 0.00 -0.94 0.00 0.00 39.48 39.78 1abs n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1abs n LYS 47 N 0.30 0.05 0.22 -1.08 2.85 0.17 -1.91 118.16 118.76 1abs n LYS 47 Ca 0.04 0.22 0.13 0.00 -1.05 0.00 0.00 58.31 57.65 1abs n LYS 47 Cb 0.19 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.31 1abs n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1abs h HIS 48 N 0.00 0.00 -2.37 5.58 2.07 -1.86 -3.45 115.15 115.12 1abs h HIS 48 Ca 0.00 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 1abs h HIS 48 Cb 0.23 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.24 1abs h HIS 48 CO 0.00 0.00 1.12 1.28 -3.07 0.00 0.00 177.93 177.26 1abs n LEU 49 N -3.05 3.92 -0.07 6.12 4.77 -0.80 -4.90 117.00 122.99 1abs n LEU 49 Ca 0.04 0.97 -0.13 0.00 -0.03 0.00 0.00 56.01 56.86 1abs n LEU 49 Cb 0.50 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.94 1abs n LEU 49 CO 0.33 0.11 -0.95 0.29 -1.33 0.00 0.00 177.39 175.84 1abs n LYS 50 N 6.09 0.68 -4.42 3.23 5.02 -1.26 -5.00 118.16 122.50 1abs n LYS 50 Ca 0.19 0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 56.42 1abs n LYS 50 Cb 0.36 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 1abs n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1abs s THR 51 N -2.54 1.25 0.32 -0.18 -4.23 -1.26 -5.03 115.64 103.98 1abs s THR 51 Ca -0.15 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 1abs s THR 51 Cb 0.07 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.44 1abs s THR 51 CO 0.78 -0.12 1.87 -0.08 -0.54 0.00 0.00 174.62 176.53 1abs h GLU 52 N 2.21 0.62 -0.78 3.99 4.81 -1.99 -1.04 114.58 122.40 1abs h GLU 52 Ca -0.40 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1abs h GLU 52 Cb 1.24 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1abs h GLU 52 CO 0.68 0.60 0.41 0.00 -0.73 0.00 0.00 179.01 179.97 1abs h ALA 53 N 1.47 1.01 -0.33 2.92 0.00 -1.99 0.71 119.26 123.04 1abs h ALA 53 Ca 0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1abs h ALA 53 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1abs h ALA 53 CO 0.00 0.54 -0.19 0.93 0.00 0.00 0.00 179.25 180.53 1abs h GLU 54 N 1.09 0.62 -0.42 0.00 5.08 -1.76 -1.81 114.58 117.38 1abs h GLU 54 Ca 0.27 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1abs h GLU 54 Cb 0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1abs h GLU 54 CO -0.04 0.77 -0.10 0.52 -1.00 0.00 0.00 179.01 179.16 1abs h MET 55 N 0.55 0.82 -0.15 2.33 2.86 -0.71 -2.38 114.93 118.26 1abs h MET 55 Ca 0.09 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 1abs h MET 55 Cb 0.63 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1abs h MET 55 CO 0.04 0.94 -0.20 0.87 1.06 0.00 0.00 176.91 179.62 1abs h LYS 56 N 0.64 0.25 -0.01 1.72 1.57 -0.62 -2.43 116.57 117.70 1abs h LYS 56 Ca 0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1abs h LYS 56 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1abs h LYS 56 CO 0.04 0.45 -0.06 0.00 -0.57 0.00 0.00 179.45 179.31 1abs n ALA 57 N -2.48 2.71 -2.60 3.86 0.00 -0.70 -4.81 120.51 116.48 1abs n ALA 57 Ca -0.01 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1abs n ALA 57 Cb 0.32 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1abs n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1abs s SER 58 N -2.19 6.69 0.30 0.00 0.15 -0.92 -4.89 113.70 112.84 1abs s SER 58 Ca 0.36 0.57 0.08 0.00 0.70 0.00 0.00 55.95 57.65 1abs s SER 58 Cb 0.21 -2.50 0.49 0.00 -1.71 0.00 0.00 66.02 62.50 1abs s SER 58 CO 0.40 -1.01 1.71 -0.08 1.20 0.00 0.00 173.24 175.47 1abs h GLU 59 N 8.71 0.19 -0.35 5.44 4.57 -1.88 -2.41 114.58 128.85 1abs h GLU 59 Ca -0.23 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 57.70 1abs h GLU 59 Cb 1.07 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1abs h GLU 59 CO 1.04 0.58 -0.41 -0.44 -1.18 0.00 0.00 179.01 178.60 1abs h ASP 60 N 0.16 0.97 -0.65 1.04 3.32 -1.97 -1.14 116.42 118.16 1abs h ASP 60 Ca 0.01 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1abs h ASP 60 Cb 0.81 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1abs h ASP 60 CO 0.06 1.26 0.39 0.25 -1.72 0.00 0.00 179.24 179.48 1abs h LEU 61 N 0.71 0.77 -0.38 1.55 5.85 -1.87 -0.42 115.31 121.53 1abs h LEU 61 Ca 0.05 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1abs h LEU 61 Cb 1.01 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1abs h LEU 61 CO 0.10 0.61 0.21 0.50 -0.34 0.00 0.00 178.44 179.51 1abs h LYS 62 N 0.88 0.41 -0.10 1.25 3.64 -1.19 -0.84 116.57 120.61 1abs h LYS 62 Ca 0.23 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1abs h LYS 62 Cb -0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1abs h LYS 62 CO -0.04 0.27 -0.18 0.87 -2.27 0.00 0.00 179.45 178.10 1abs h LYS 63 N 0.42 0.17 -0.28 1.90 1.57 -0.99 -2.13 116.57 117.23 1abs h LYS 63 Ca 0.15 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1abs h LYS 63 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1abs h LYS 63 CO -0.09 0.35 -0.18 1.25 -0.57 0.00 0.00 179.45 180.21 1abs h HIS 64 N 0.16 0.72 -0.96 -1.35 2.76 -0.78 -2.12 115.15 113.57 1abs h HIS 64 Ca 0.03 -0.19 0.13 0.00 -2.20 0.00 0.00 60.37 58.14 1abs h HIS 64 Cb 0.42 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.14 1abs h HIS 64 CO 0.00 0.88 0.61 0.78 -1.30 0.00 0.00 177.93 178.91 1abs h GLY 65 N 0.34 1.50 1.45 5.26 0.00 -0.68 0.06 103.07 111.00 1abs h GLY 65 Ca 0.06 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1abs h GLY 65 CO 0.05 0.13 -0.15 -2.08 0.00 0.00 0.00 176.54 174.49 1abs h VAL 66 N 0.88 1.25 -0.26 4.60 2.07 -1.01 -0.99 116.25 122.80 1abs h VAL 66 Ca 0.48 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1abs h VAL 66 Cb 0.58 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1abs h VAL 66 CO -0.25 0.39 -0.04 0.74 0.02 0.00 0.00 177.57 178.43 1abs h THR 67 N 0.59 1.28 0.23 2.57 2.02 -0.62 -1.29 112.91 117.69 1abs h THR 67 Ca 0.10 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1abs h THR 67 Cb 0.59 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1abs h THR 67 CO 0.04 0.32 -0.11 0.58 0.37 0.00 0.00 175.52 176.72 1abs h VAL 68 N 0.23 0.81 -0.03 3.16 2.07 -0.86 -2.17 116.25 119.46 1abs h VAL 68 Ca 0.07 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 1abs h VAL 68 Cb 0.50 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1abs h VAL 68 CO 0.02 0.05 -0.37 -0.07 0.02 0.00 0.00 177.57 177.22 1abs h LEU 69 N -0.41 0.06 -0.57 2.57 3.38 -1.18 -1.61 115.31 117.55 1abs h LEU 69 Ca -0.03 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1abs h LEU 69 Cb 0.32 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1abs h LEU 69 CO 0.05 0.43 -0.40 0.74 0.09 0.00 0.00 178.44 179.35 1abs h THR 70 N 0.05 1.29 -0.32 0.22 2.02 -1.17 0.87 112.91 115.88 1abs h THR 70 Ca 0.00 -1.57 -0.13 0.00 0.77 0.00 0.00 66.41 65.48 1abs h THR 70 Cb 0.68 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1abs h THR 70 CO 0.05 0.51 -0.34 0.00 0.37 0.00 0.00 175.52 176.11 1abs h ALA 71 N 0.98 0.81 -0.41 6.16 0.00 -1.12 -1.79 119.26 123.88 1abs h ALA 71 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1abs h ALA 71 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1abs h ALA 71 CO 0.08 0.65 -0.17 1.25 0.00 0.00 0.00 179.25 181.06 1abs h LEU 72 N 0.59 0.86 -0.79 0.00 5.85 -1.08 -2.38 115.31 118.37 1abs h LEU 72 Ca 0.06 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.40 1abs h LEU 72 Cb 0.86 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1abs h LEU 72 CO 0.07 1.06 0.52 1.23 -0.34 0.00 0.00 178.44 180.98 1abs h GLY 73 N 0.65 1.12 1.62 3.75 0.00 -0.69 0.24 103.07 109.76 1abs h GLY 73 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1abs h GLY 73 CO 0.06 0.38 0.15 0.00 0.00 0.00 0.00 176.54 177.12 1abs h ALA 74 N 1.30 1.59 -0.17 3.60 0.00 -1.11 -1.00 119.26 123.48 1abs h ALA 74 Ca 0.30 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1abs h ALA 74 Cb -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1abs h ALA 74 CO -0.08 0.32 -0.73 0.82 0.00 0.00 0.00 179.25 179.58 1abs h ILE 75 N 0.50 1.29 -0.26 0.00 2.04 -0.82 -2.99 117.51 117.26 1abs h ILE 75 Ca 0.13 -1.94 -0.12 0.00 1.00 0.00 0.00 64.86 63.92 1abs h ILE 75 Cb 0.09 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1abs h ILE 75 CO -0.01 0.62 -0.34 -0.07 0.00 0.00 0.00 178.15 178.34 1abs h LEU 76 N 0.54 0.59 -1.77 1.44 3.38 -0.75 -1.23 115.31 117.51 1abs h LEU 76 Ca -0.04 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1abs h LEU 76 Cb 1.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1abs h LEU 76 CO 0.15 0.89 0.00 0.11 0.09 0.00 0.00 178.44 179.68 1abs h LYS 77 N 0.48 0.00 0.00 1.13 1.57 -1.13 -0.86 116.57 117.76 1abs h LYS 77 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1abs h LYS 77 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1abs h LYS 77 CO 0.07 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.58 1abs n LYS 78 N -2.98 0.09 -3.98 3.15 4.76 -0.46 -4.94 118.16 113.80 1abs n LYS 78 Ca -0.00 0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.24 1abs n LYS 78 Cb 0.23 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 1abs n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1abs n LYS 79 N -1.44 -3.38 0.00 1.97 5.02 -0.33 -1.52 118.16 118.47 1abs n LYS 79 Ca 0.08 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1abs n LYS 79 Cb 0.27 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 1abs n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1abs n GLY 80 N -1.90 2.84 2.63 0.72 0.00 -1.26 -4.94 105.19 103.28 1abs n GLY 80 Ca -0.26 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1abs n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1abs n HIS 81 N 0.00 2.84 -1.37 1.61 8.25 -0.58 -4.62 115.22 121.35 1abs n HIS 81 Ca 0.00 -2.88 0.02 0.00 -0.26 0.00 0.00 57.72 54.60 1abs n HIS 81 Cb 0.00 -2.12 0.20 0.00 1.12 0.00 0.00 29.99 29.20 1abs n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1abs n HIS 82 N 3.55 0.64 -0.09 4.41 1.44 -1.26 -4.70 115.22 119.21 1abs n HIS 82 Ca 0.56 -1.38 -0.06 0.00 -2.01 0.00 0.00 57.72 54.82 1abs n HIS 82 Cb 0.31 -0.36 0.01 0.00 0.12 0.00 0.00 29.99 30.07 1abs n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1abs h GLU 83 N 0.98 0.18 -0.68 -1.40 3.07 -1.99 -0.69 114.58 114.04 1abs h GLU 83 Ca 0.10 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1abs h GLU 83 Cb 1.37 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 1abs h GLU 83 CO 0.21 0.12 0.15 0.00 -1.40 0.00 0.00 179.01 178.09 1abs h ALA 84 N 1.24 0.90 -0.25 3.43 0.00 -2.00 -2.74 119.26 119.83 1abs h ALA 84 Ca 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1abs h ALA 84 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1abs h ALA 84 CO -0.20 0.63 -0.22 0.93 0.00 0.00 0.00 179.25 180.39 1abs h GLU 85 N 1.03 0.45 0.00 0.00 3.07 -1.74 -3.16 114.58 114.23 1abs h GLU 85 Ca 0.21 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 1abs h GLU 85 Cb 0.39 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1abs h GLU 85 CO 0.01 0.65 -0.31 -0.07 -1.40 0.00 0.00 179.01 177.88 1abs h LEU 86 N 0.41 0.00 0.55 1.33 4.07 -0.96 -3.30 115.31 117.41 1abs h LEU 86 Ca 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1abs h LEU 86 Cb 0.61 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1abs h LEU 86 CO 0.04 0.31 -0.43 0.11 -1.08 0.00 0.00 178.44 177.40 1abs h LYS 87 N 0.00 -0.91 -0.75 1.13 1.57 -1.45 -0.09 116.57 116.07 1abs h LYS 87 Ca -0.00 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1abs h LYS 87 Cb 1.02 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1abs h LYS 87 CO 0.04 -0.60 0.40 -1.00 -0.57 0.00 0.00 179.45 177.72 1abs h PRO 88 N -0.94 1.05 -0.10 3.15 0.13 -1.75 -1.56 132.00 131.99 1abs h PRO 88 Ca -0.07 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1abs h PRO 88 Cb 0.78 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1abs h PRO 88 CO 0.02 0.78 0.03 1.25 -0.23 0.00 0.00 178.00 179.84 1abs h LEU 89 N 1.06 0.14 -1.14 1.56 5.85 -1.62 -1.73 115.31 119.42 1abs h LEU 89 Ca 0.27 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1abs h LEU 89 Cb 0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1abs h LEU 89 CO -0.04 0.32 0.03 0.00 -0.34 0.00 0.00 178.44 178.41 1abs h ALA 90 N 0.83 1.30 -0.27 1.25 0.00 -0.88 -0.89 119.26 120.60 1abs h ALA 90 Ca 0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1abs h ALA 90 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1abs h ALA 90 CO -0.00 0.48 -0.24 0.37 0.00 0.00 0.00 179.25 179.86 1abs h GLN 91 N 0.61 0.63 -0.03 0.00 4.15 -1.13 0.03 115.11 119.38 1abs h GLN 91 Ca 0.13 -0.32 -0.15 0.00 0.77 0.00 0.00 58.65 59.07 1abs h GLN 91 Cb 0.33 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1abs h GLN 91 CO 0.01 0.92 -0.68 0.66 -1.93 0.00 0.00 178.83 177.81 1abs h SER 92 N 0.36 0.15 1.51 -0.69 4.64 -1.25 -1.37 113.55 116.90 1abs h SER 92 Ca 0.05 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1abs h SER 92 Cb 0.79 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1abs h SER 92 CO 0.06 0.78 -0.50 0.45 -0.87 0.00 0.00 176.83 176.75 1abs h HIS 93 N 0.09 0.00 0.11 4.77 3.86 -1.03 -0.06 115.15 122.89 1abs h HIS 93 Ca -0.01 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.86 1abs h HIS 93 Cb 1.21 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.67 1abs h HIS 93 CO 0.01 0.41 -1.78 0.00 0.86 0.00 0.00 177.93 177.43 1abs h ALA 94 N 1.59 0.40 0.01 2.45 0.00 -0.94 0.11 119.26 122.88 1abs h ALA 94 Ca -0.02 -1.29 -0.39 0.00 0.00 0.00 0.00 54.91 53.21 1abs h ALA 94 Cb 1.33 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 1abs h ALA 94 CO 0.05 1.27 -2.46 2.41 0.00 0.00 0.00 179.25 180.52 1abs n THR 95 N -3.42 1.51 -0.10 0.00 -1.04 -0.52 -3.84 114.28 106.86 1abs n THR 95 Ca -0.24 -0.56 -0.18 0.00 -2.04 0.00 0.00 64.05 61.03 1abs n THR 95 Cb 1.05 -1.47 -0.08 0.00 -1.82 0.00 0.00 70.33 68.02 1abs n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1abs n LYS 96 N -3.35 0.54 0.06 -2.82 4.81 -0.45 -4.66 118.16 112.30 1abs n LYS 96 Ca -0.46 0.42 -0.06 0.00 -0.87 0.00 0.00 58.31 57.34 1abs n LYS 96 Cb 0.98 -1.62 -0.11 0.00 0.02 0.00 0.00 35.03 34.31 1abs n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1abs h HIS 97 N -1.00 0.00 -5.04 5.64 3.86 -1.22 -3.49 115.15 113.90 1abs h HIS 97 Ca -0.32 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.83 1abs h HIS 97 Cb 1.17 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.69 1abs h HIS 97 CO -0.11 0.95 -0.21 1.17 0.86 0.00 0.00 177.93 180.59 1abs n LYS 98 N -3.33 -1.36 -3.74 2.45 3.00 0.17 -4.99 118.16 110.38 1abs n LYS 98 Ca -0.00 1.18 -0.37 0.00 -0.00 0.00 0.00 58.31 59.12 1abs n LYS 98 Cb 0.92 -5.16 -0.12 0.00 0.00 0.00 0.00 35.03 30.66 1abs n LYS 98 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1abs s ILE 99 N -3.10 4.34 0.54 3.15 -1.09 0.07 -5.02 121.20 120.10 1abs s ILE 99 Ca 0.11 -0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 58.09 1abs s ILE 99 Cb -0.01 -3.08 -0.06 0.00 -1.58 0.00 0.00 42.46 37.72 1abs s ILE 99 CO 0.64 0.27 1.10 -2.16 -1.23 0.00 0.00 174.94 173.56 1abs s PRO 100 N 1.61 3.44 0.40 2.79 0.04 -1.26 -4.85 135.00 137.17 1abs s PRO 100 Ca 0.06 1.52 0.13 0.00 0.04 0.00 0.00 61.00 62.74 1abs s PRO 100 Cb -0.16 -2.03 0.95 0.00 0.04 0.00 0.00 34.50 33.31 1abs s PRO 100 CO 0.04 -0.76 1.92 0.82 0.04 0.00 0.00 177.00 179.06 1abs h ILE 101 N 1.20 0.84 -0.00 0.56 1.08 -1.83 0.45 117.51 119.80 1abs h ILE 101 Ca -0.50 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1abs h ILE 101 Cb 1.25 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1abs h ILE 101 CO 0.57 0.10 -0.00 0.50 -0.69 0.00 0.00 178.15 178.63 1abs h LYS 102 N 0.53 0.01 0.01 2.37 1.63 -1.90 0.11 116.57 119.32 1abs h LYS 102 Ca 0.37 -0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.98 1abs h LYS 102 Cb 0.71 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1abs h LYS 102 CO -0.14 0.01 -0.88 1.88 -3.45 0.00 0.00 179.45 176.87 1abs h TYR 103 N 0.01 0.12 0.00 1.91 -1.99 -1.26 -1.82 116.97 113.94 1abs h TYR 103 Ca 0.00 -0.07 -0.08 0.00 2.00 0.00 0.00 58.73 60.58 1abs h TYR 103 Cb 0.00 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1abs h TYR 103 CO 0.00 0.92 -0.40 -0.07 -0.00 0.00 0.00 178.16 178.60 1abs h LEU 104 N 0.04 0.00 -0.44 3.88 3.38 -0.61 -1.67 115.31 119.89 1abs h LEU 104 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1abs h LEU 104 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1abs h LEU 104 CO 0.12 0.40 -0.16 -0.33 0.09 0.00 0.00 178.44 178.56 1abs h GLU 105 N 0.00 0.88 -0.42 1.13 5.08 -0.57 -1.65 114.58 119.04 1abs h GLU 105 Ca -0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1abs h GLU 105 Cb 0.77 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1abs h GLU 105 CO 0.05 1.01 0.24 0.74 -1.00 0.00 0.00 179.01 180.05 1abs h PHE 106 N 0.71 0.56 -0.02 4.33 0.04 -0.94 -0.79 116.94 120.83 1abs h PHE 106 Ca 0.10 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.77 1abs h PHE 106 Cb 0.72 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1abs h PHE 106 CO 0.05 0.41 -0.44 0.97 -0.60 0.00 0.00 178.31 178.71 1abs h ILE 107 N 0.55 1.32 -0.50 -0.55 2.10 -1.25 -1.33 117.51 117.84 1abs h ILE 107 Ca 0.15 -1.53 -0.07 0.00 1.08 0.00 0.00 64.86 64.49 1abs h ILE 107 Cb 0.03 1.80 -0.02 0.00 -1.09 0.00 0.00 36.82 37.54 1abs h ILE 107 CO -0.03 0.44 0.04 0.28 -1.08 0.00 0.00 178.15 177.80 1abs h SER 108 N 0.03 0.77 -0.28 2.19 0.02 -0.71 0.12 113.55 115.69 1abs h SER 108 Ca -0.00 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 1abs h SER 108 Cb 0.80 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1abs h SER 108 CO 0.06 0.81 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.36 1abs h GLU 109 N 0.76 0.70 -0.32 3.45 4.81 -0.64 -1.75 114.58 121.60 1abs h GLU 109 Ca 0.15 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1abs h GLU 109 Cb 0.41 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1abs h GLU 109 CO 0.01 0.80 -0.33 0.00 -0.73 0.00 0.00 179.01 178.76 1abs h ALA 110 N 1.23 0.46 -0.37 2.92 0.00 -0.70 -1.36 119.26 121.45 1abs h ALA 110 Ca 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1abs h ALA 110 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1abs h ALA 110 CO 0.04 0.52 0.22 0.82 0.00 0.00 0.00 179.25 180.84 1abs h ILE 111 N 0.55 1.05 -0.64 0.00 2.04 -0.70 -1.60 117.51 118.19 1abs h ILE 111 Ca 0.05 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 1abs h ILE 111 Cb 0.91 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1abs h ILE 111 CO 0.08 0.08 0.14 0.40 0.00 0.00 0.00 178.15 178.85 1abs h ILE 112 N 0.45 1.25 -0.34 -0.67 2.04 -1.24 -1.51 117.51 117.49 1abs h ILE 112 Ca 0.14 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1abs h ILE 112 Cb -0.00 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1abs h ILE 112 CO -0.06 0.36 0.17 -0.74 0.00 0.00 0.00 178.15 177.87 1abs h HIS 113 N 0.97 0.48 -0.48 1.37 2.76 -0.98 -0.27 115.15 119.01 1abs h HIS 113 Ca 0.20 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.25 1abs h HIS 113 Cb 0.37 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1abs h HIS 113 CO 0.03 0.41 -0.11 0.28 -1.30 0.00 0.00 177.93 177.23 1abs h VAL 114 N 0.41 1.27 -0.41 5.26 2.07 -1.14 -2.18 116.25 121.53 1abs h VAL 114 Ca 0.12 -1.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.28 1abs h VAL 114 Cb 0.11 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1abs h VAL 114 CO -0.02 0.43 -0.18 -0.07 0.02 0.00 0.00 177.57 177.76 1abs h LEU 115 N 0.77 0.79 -1.34 2.57 3.38 -1.19 -0.30 115.31 119.99 1abs h LEU 115 Ca 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1abs h LEU 115 Cb 0.67 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1abs h LEU 115 CO 0.05 0.96 0.13 -0.74 0.09 0.00 0.00 178.44 178.92 1abs h HIS 116 N 0.69 0.57 0.04 1.13 2.76 -0.86 0.11 115.15 119.59 1abs h HIS 116 Ca 0.10 -0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 57.95 1abs h HIS 116 Cb 0.68 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 1abs h HIS 116 CO 0.04 0.48 -1.65 0.66 -1.30 0.00 0.00 177.93 176.15 1abs h SER 117 N 0.57 0.12 0.99 3.26 4.64 -1.19 -3.34 113.55 118.60 1abs h SER 117 Ca 0.14 -0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 1abs h SER 117 Cb 0.17 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1abs h SER 117 CO -0.01 1.21 -1.08 0.03 -0.87 0.00 0.00 176.83 176.10 1abs h ARG 118 N 0.02 0.00 -2.12 4.77 3.08 -0.98 -3.41 114.38 115.74 1abs h ARG 118 Ca -0.27 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.23 1abs h ARG 118 Cb 1.99 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.63 1abs h ARG 118 CO 0.10 0.41 -0.90 0.72 -1.07 0.00 0.00 179.97 179.24 1abs n HIS 119 N -3.04 1.91 0.27 3.04 8.25 0.36 -4.86 115.22 121.15 1abs n HIS 119 Ca -0.05 -3.89 0.12 0.00 -0.26 0.00 0.00 57.72 53.64 1abs n HIS 119 Cb 0.82 -0.45 0.76 0.00 1.12 0.00 0.00 29.99 32.24 1abs n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1abs h PRO 120 N 3.41 0.00 0.00 -0.41 0.13 -1.75 0.30 132.00 133.68 1abs h PRO 120 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 1abs h PRO 120 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1abs h PRO 120 CO 0.65 0.05 -0.24 0.78 -0.23 0.00 0.00 178.00 179.01 1abs h GLY 121 N 0.23 0.00 -0.00 1.56 0.00 -1.94 -3.24 103.07 99.68 1abs h GLY 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1abs h GLY 121 CO 0.01 0.00 -0.00 0.70 0.00 0.00 0.00 176.54 177.24 1abs n ASN 122 N -3.43 1.21 -2.57 0.19 4.13 -0.54 -4.85 115.26 109.40 1abs n ASN 122 Ca -0.00 -1.61 -0.16 0.00 1.68 0.00 0.00 54.58 54.49 1abs n ASN 122 Cb 0.43 -0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.69 1abs n ASN 122 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1abs n PHE 123 N -0.31 2.09 -0.23 3.10 7.35 0.94 -4.56 117.46 125.84 1abs n PHE 123 Ca 0.00 -2.81 0.00 0.00 -0.76 0.00 0.00 57.45 53.88 1abs n PHE 123 Cb 0.35 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 39.93 1abs n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1abs n GLY 124 N -0.30 -2.32 0.08 7.13 0.00 -1.26 -4.58 105.19 103.95 1abs n GLY 124 Ca 0.22 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1abs n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abs h ALA 125 N -2.00 0.13 -0.61 4.61 0.00 -1.98 0.12 119.26 119.53 1abs h ALA 125 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1abs h ALA 125 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1abs h ALA 125 CO 0.00 -0.30 0.12 -0.44 0.00 0.00 0.00 179.25 178.63 1abs h ASP 126 N 0.02 0.95 -0.65 0.00 3.32 -1.99 -0.80 116.42 117.27 1abs h ASP 126 Ca 0.03 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1abs h ASP 126 Cb 0.14 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1abs h ASP 126 CO -0.00 0.96 0.17 0.00 -1.72 0.00 0.00 179.24 178.64 1abs h ALA 127 N 1.03 0.86 -0.62 3.45 0.00 -1.81 -1.13 119.26 121.05 1abs h ALA 127 Ca 0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1abs h ALA 127 Cb 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1abs h ALA 127 CO 0.01 0.56 0.11 0.37 0.00 0.00 0.00 179.25 180.30 1abs h GLN 128 N 0.96 0.99 -0.82 0.00 4.15 -0.80 -1.12 115.11 118.47 1abs h GLN 128 Ca 0.21 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1abs h GLN 128 Cb 0.35 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1abs h GLN 128 CO 0.00 0.91 0.34 0.78 -1.93 0.00 0.00 178.83 178.93 1abs h GLY 129 N 1.03 1.30 0.91 2.39 0.00 -0.75 0.02 103.07 107.98 1abs h GLY 129 Ca 0.19 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1abs h GLY 129 CO 0.01 0.66 0.08 0.00 0.00 0.00 0.00 176.54 177.28 1abs h ALA 130 N 1.18 0.44 -0.49 3.60 0.00 -0.83 -0.96 119.26 122.20 1abs h ALA 130 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1abs h ALA 130 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1abs h ALA 130 CO -0.02 0.11 0.27 1.98 0.00 0.00 0.00 179.25 181.58 1abs h MET 131 N 0.38 0.69 -0.86 0.00 -1.53 -0.98 -0.49 114.93 112.14 1abs h MET 131 Ca 0.10 -0.08 0.05 0.00 -3.44 0.00 0.00 59.70 56.33 1abs h MET 131 Cb 0.30 -0.13 -0.06 0.00 -0.55 0.00 0.00 31.60 31.16 1abs h MET 131 CO 0.00 0.54 0.54 -0.97 0.14 0.00 0.00 176.91 177.16 1abs h ASN 132 N 0.65 0.87 -0.53 1.39 -1.24 -0.87 -0.13 115.58 115.71 1abs h ASN 132 Ca 0.17 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 1abs h ASN 132 Cb 0.06 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 1abs h ASN 132 CO -0.03 0.57 0.29 0.50 -1.29 0.00 0.00 177.43 177.48 1abs h LYS 133 N 1.01 0.75 -0.64 6.67 3.64 -0.65 0.76 116.57 128.10 1abs h LYS 133 Ca 0.36 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1abs h LYS 133 Cb 0.10 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1abs h LYS 133 CO -0.15 0.58 0.15 0.00 -2.27 0.00 0.00 179.45 177.76 1abs h ALA 134 N 1.13 1.06 -0.00 5.00 0.00 -0.59 -1.37 119.26 124.48 1abs h ALA 134 Ca 0.19 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1abs h ALA 134 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1abs h ALA 134 CO -0.03 0.62 -0.68 -0.07 0.00 0.00 0.00 179.25 179.09 1abs h LEU 135 N 0.96 0.02 -0.65 0.00 3.38 -0.81 -1.52 115.31 116.69 1abs h LEU 135 Ca 0.20 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1abs h LEU 135 Cb 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1abs h LEU 135 CO 0.00 0.69 -0.26 -0.33 0.09 0.00 0.00 178.44 178.64 1abs h GLU 136 N 0.01 0.78 -0.39 1.13 5.08 -0.57 -0.54 114.58 120.08 1abs h GLU 136 Ca -0.01 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1abs h GLU 136 Cb 1.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1abs h GLU 136 CO 0.09 0.95 0.07 1.25 -1.00 0.00 0.00 179.01 180.37 1abs h LEU 137 N 0.67 0.62 -0.60 1.33 5.85 -1.08 -0.15 115.31 121.95 1abs h LEU 137 Ca 0.09 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1abs h LEU 137 Cb 0.78 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1abs h LEU 137 CO 0.06 0.71 0.35 0.15 -0.34 0.00 0.00 178.44 179.37 1abs h PHE 138 N 0.50 0.64 -0.39 1.25 3.57 -1.03 -0.87 116.94 120.60 1abs h PHE 138 Ca 0.12 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.49 1abs h PHE 138 Cb 0.35 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1abs h PHE 138 CO 0.02 0.34 -0.34 0.00 -2.23 0.00 0.00 178.31 176.10 1abs h ARG 139 N 0.67 0.89 -0.16 1.11 3.08 -0.95 -0.19 114.38 118.82 1abs h ARG 139 Ca 0.25 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1abs h ARG 139 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1abs h ARG 139 CO -0.13 1.09 0.10 -0.22 -1.07 0.00 0.00 179.97 179.73 1abs h LYS 140 N 0.74 0.23 -0.28 0.04 3.64 -0.75 -0.24 116.57 119.94 1abs h LYS 140 Ca 0.07 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1abs h LYS 140 Cb 0.92 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1abs h LYS 140 CO 0.08 0.21 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.74 1abs h ASP 141 N 0.18 0.59 -0.38 4.20 3.32 -1.04 -2.07 116.42 121.22 1abs h ASP 141 Ca 0.06 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 1abs h ASP 141 Cb 0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1abs h ASP 141 CO -0.01 0.85 -0.21 0.40 -1.72 0.00 0.00 179.24 178.55 1abs h ILE 142 N 0.50 1.27 -0.64 0.35 1.08 -0.94 -1.97 117.51 117.15 1abs h ILE 142 Ca 0.06 -1.35 -0.08 0.00 -0.39 0.00 0.00 64.86 63.10 1abs h ILE 142 Cb 0.75 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1abs h ILE 142 CO 0.06 0.46 0.09 0.00 -0.69 0.00 0.00 178.15 178.07 1abs h ALA 143 N 0.99 0.95 -0.53 1.87 0.00 -0.86 0.74 119.26 122.41 1abs h ALA 143 Ca 0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1abs h ALA 143 Cb 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1abs h ALA 143 CO 0.06 0.65 0.08 0.00 0.00 0.00 0.00 179.25 180.04 1abs h ALA 144 N 1.10 1.14 -0.32 0.00 0.00 -1.08 -2.01 119.26 118.09 1abs h ALA 144 Ca 0.19 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1abs h ALA 144 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1abs h ALA 144 CO 0.01 0.57 -0.12 0.87 0.00 0.00 0.00 179.25 180.58 1abs h LYS 145 N 0.80 0.64 -0.66 0.00 1.79 -0.79 -2.00 116.57 116.34 1abs h LYS 145 Ca 0.17 -0.27 0.14 0.00 -2.18 0.00 0.00 60.65 58.51 1abs h LYS 145 Cb 0.37 -0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 1abs h LYS 145 CO 0.01 0.84 0.12 1.88 -1.08 0.00 0.00 179.45 181.22 1abs h TYR 146 N 0.41 0.17 -0.78 -1.35 -1.99 -0.66 0.04 116.97 112.80 1abs h TYR 146 Ca 0.07 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1abs h TYR 146 Cb 0.63 0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.35 1abs h TYR 146 CO 0.06 -0.09 0.50 -0.22 -0.00 0.00 0.00 178.16 178.40 1abs h LYS 147 N 0.23 1.04 0.00 4.88 3.64 -1.10 -0.25 116.57 125.01 1abs h LYS 147 Ca 0.36 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1abs h LYS 147 Cb 0.58 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1abs h LYS 147 CO -0.48 0.71 -0.29 0.93 -2.27 0.00 0.00 179.45 178.05 1abs h GLU 148 N 1.07 0.00 -0.00 1.90 5.08 -0.48 -2.09 114.58 120.06 1abs h GLU 148 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1abs h GLU 148 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1abs h GLU 148 CO -0.06 0.29 -0.21 1.28 -1.00 0.00 0.00 179.01 179.31 1abs n LEU 149 N -4.00 0.29 0.00 1.33 4.77 -0.12 -4.91 117.00 114.35 1abs n LEU 149 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1abs n LEU 149 Cb 0.36 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1abs n LEU 149 CO 0.37 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1abs n GLY 150 N 1.46 1.07 1.12 -0.72 0.00 -0.58 -4.98 105.19 102.56 1abs n GLY 150 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1abs n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1abs n TYR 151 N -2.04 -0.08 -2.63 1.61 9.36 -0.22 -4.98 117.16 118.18 1abs n TYR 151 Ca 0.00 0.01 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 1abs n TYR 151 Cb 0.02 0.05 -0.02 0.00 -0.63 0.00 0.00 39.34 38.77 1abs n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1abs n GLN 152 N -3.12 -1.93 0.00 2.98 0.00 -1.04 -4.84 117.38 109.43 1abs n GLN 152 Ca 0.00 0.04 0.15 0.00 -0.00 0.00 0.00 57.00 57.19 1abs n GLN 152 Cb 0.31 -3.47 0.75 0.00 0.00 0.00 0.00 30.24 27.83 1abs n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47