#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mln s VAL 1 N 0.00 -0.42 0.44 3.17 1.01 -1.26 -5.06 120.40 118.27 1mln s VAL 1 Ca 0.00 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 1mln s VAL 1 Cb 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 1mln s VAL 1 CO 0.00 0.10 0.92 -0.76 0.00 0.00 0.00 175.10 175.36 1mln s LEU 2 N 2.35 3.87 0.73 3.92 1.02 -1.26 -5.07 118.68 124.24 1mln s LEU 2 Ca -0.00 1.58 -0.09 0.00 0.02 0.00 0.00 54.13 55.63 1mln s LEU 2 Cb -0.12 -4.44 0.06 0.00 0.02 0.00 0.00 46.19 41.71 1mln s LEU 2 CO -0.09 -0.40 1.07 -0.94 0.02 0.00 0.00 176.35 176.01 1mln s SER 3 N -2.47 4.81 0.34 2.29 1.04 -1.26 -4.91 113.70 113.54 1mln s SER 3 Ca 0.60 0.64 0.05 0.00 0.48 0.00 0.00 55.95 57.71 1mln s SER 3 Cb -0.09 -1.27 0.60 0.00 0.10 0.00 0.00 66.02 65.36 1mln s SER 3 CO 0.19 -1.65 1.87 -0.08 0.98 0.00 0.00 173.24 174.55 1mln h GLU 4 N -0.73 0.50 -0.72 4.02 4.57 -1.99 -1.91 114.58 118.32 1mln h GLU 4 Ca -0.45 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 57.57 1mln h GLU 4 Cb 1.31 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 1mln h GLU 4 CO 0.63 0.55 0.25 0.78 -1.18 0.00 0.00 179.01 180.03 1mln h GLY 5 N 0.84 1.18 0.83 1.92 0.00 -1.99 -0.34 103.07 105.50 1mln h GLY 5 Ca 0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1mln h GLY 5 CO 0.01 0.62 0.01 0.83 0.00 0.00 0.00 176.54 178.02 1mln h GLU 6 N 1.06 0.35 -0.91 4.80 5.08 -1.78 -2.20 114.58 120.98 1mln h GLU 6 Ca 0.24 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1mln h GLU 6 Cb 0.26 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1mln h GLU 6 CO -0.01 0.53 0.58 -1.49 -1.00 0.00 0.00 179.01 177.62 1mln h TRP 7 N 0.12 0.99 -0.76 4.33 4.06 -1.22 -1.65 115.95 121.82 1mln h TRP 7 Ca 0.06 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.99 1mln h TRP 7 Cb 0.37 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1mln h TRP 7 CO 0.03 0.47 0.29 1.96 -3.56 0.00 0.00 178.44 177.63 1mln h GLN 8 N 0.93 1.15 -0.20 0.49 1.08 -0.74 0.19 115.11 118.02 1mln h GLN 8 Ca 0.42 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1mln h GLN 8 Cb 0.37 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1mln h GLN 8 CO -0.18 0.94 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.50 1mln h LEU 9 N 1.11 0.29 -0.03 1.46 3.38 -0.82 0.41 115.31 121.10 1mln h LEU 9 Ca 0.25 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.94 1mln h LEU 9 Cb 0.23 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1mln h LEU 9 CO -0.02 0.40 -0.88 0.58 0.09 0.00 0.00 178.44 178.62 1mln h VAL 10 N 0.30 1.31 0.00 1.22 2.07 -0.63 -2.71 116.25 117.81 1mln h VAL 10 Ca 0.06 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1mln h VAL 10 Cb 0.32 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1mln h VAL 10 CO 0.02 0.66 -0.03 -0.07 0.02 0.00 0.00 177.57 178.16 1mln h LEU 11 N 0.30 0.00 -0.01 2.57 3.38 -0.56 -0.69 115.31 120.29 1mln h LEU 11 Ca -0.10 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 1mln h LEU 11 Cb 1.54 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.31 1mln h LEU 11 CO 0.17 0.00 -1.02 -0.74 0.09 0.00 0.00 178.44 176.95 1mln h HIS 12 N 0.00 1.05 0.00 1.13 2.76 -0.83 -0.92 115.15 118.34 1mln h HIS 12 Ca 0.00 -0.56 -0.15 0.00 -2.20 0.00 0.00 60.37 57.45 1mln h HIS 12 Cb 0.93 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 1mln h HIS 12 CO 0.00 1.40 -0.74 -0.24 -1.30 0.00 0.00 177.93 177.05 1mln h VAL 13 N 0.40 1.35 -0.41 5.26 3.04 -1.20 -2.98 116.25 121.72 1mln h VAL 13 Ca -0.12 -2.69 -0.05 0.00 -1.01 0.00 0.00 66.70 62.83 1mln h VAL 13 Cb 1.67 2.53 -0.02 0.00 -2.01 0.00 0.00 31.29 33.46 1mln h VAL 13 CO 0.20 0.72 0.06 -0.25 -1.01 0.00 0.00 177.57 177.29 1mln h TRP 14 N 0.00 0.64 0.00 3.17 2.91 -0.95 -0.96 115.95 120.76 1mln h TRP 14 Ca -0.01 -0.06 -0.02 0.00 1.13 0.00 0.00 58.89 59.93 1mln h TRP 14 Cb 1.47 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1mln h TRP 14 CO 0.00 0.58 -0.11 0.00 -1.03 0.00 0.00 178.44 177.89 1mln h ALA 15 N 1.46 1.35 0.01 2.65 0.00 -1.00 -1.14 119.26 122.59 1mln h ALA 15 Ca 0.13 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1mln h ALA 15 Cb 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1mln h ALA 15 CO 0.00 0.13 -0.40 0.87 0.00 0.00 0.00 179.25 179.86 1mln h LYS 16 N 0.00 0.26 -0.69 0.00 1.79 -1.26 -3.18 116.57 113.49 1mln h LYS 16 Ca -0.00 -0.29 0.13 0.00 -2.18 0.00 0.00 60.65 58.31 1mln h LYS 16 Cb 0.29 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.93 1mln h LYS 16 CO 0.01 1.00 0.22 0.28 -1.08 0.00 0.00 179.45 179.88 1mln h VAL 17 N -0.37 0.64 0.00 0.50 2.07 -0.68 -2.01 116.25 116.41 1mln h VAL 17 Ca -0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1mln h VAL 17 Cb 1.15 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1mln h VAL 17 CO 0.08 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.11 1mln n GLU 18 N -5.07 0.04 0.24 1.57 1.02 -0.49 -1.13 120.64 116.81 1mln n GLU 18 Ca 0.12 0.30 0.14 0.00 -0.02 0.00 0.00 57.16 57.69 1mln n GLU 18 Cb 0.38 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.68 1mln n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mln h ALA 19 N 2.17 0.99 -1.59 0.62 0.00 -1.37 -3.37 119.26 116.72 1mln h ALA 19 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.50 1mln h ALA 19 Cb 0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.55 1mln h ALA 19 CO 0.00 0.04 -0.76 -3.47 0.00 0.00 0.00 179.25 175.05 1mln n ASP 20 N -3.11 -1.78 -0.13 0.00 2.03 -0.29 -5.01 116.55 108.26 1mln n ASP 20 Ca 0.02 -2.70 -0.11 0.00 0.52 0.00 0.00 54.79 52.53 1mln n ASP 20 Cb 0.45 0.54 -0.02 0.00 -0.72 0.00 0.00 41.12 41.37 1mln n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mln h VAL 21 N 4.34 1.27 -0.61 5.18 2.07 -1.71 -1.89 116.25 124.89 1mln h VAL 21 Ca 0.13 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 1mln h VAL 21 Cb 0.99 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1mln h VAL 21 CO 0.24 0.35 0.04 0.00 0.02 0.00 0.00 177.57 178.22 1mln h ALA 22 N 0.86 0.91 -0.21 1.67 0.00 -1.91 -0.02 119.26 120.55 1mln h ALA 22 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1mln h ALA 22 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mln h ALA 22 CO 0.03 0.66 0.07 0.78 0.00 0.00 0.00 179.25 180.78 1mln h GLY 23 N 1.02 0.36 0.99 0.00 0.00 -1.92 -1.72 103.07 101.80 1mln h GLY 23 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1mln h GLY 23 CO 0.02 0.20 0.31 0.45 0.00 0.00 0.00 176.54 177.52 1mln h HIS 24 N 0.17 0.67 -0.66 5.60 3.86 -1.18 -2.25 115.15 121.37 1mln h HIS 24 Ca 0.07 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.36 1mln h HIS 24 Cb 0.23 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.42 1mln h HIS 24 CO 0.00 0.46 0.32 0.78 0.86 0.00 0.00 177.93 180.35 1mln h GLY 25 N 0.69 0.97 1.00 2.45 0.00 -0.82 -1.13 103.07 106.22 1mln h GLY 25 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1mln h GLY 25 CO -0.04 0.07 -0.12 -1.61 0.00 0.00 0.00 176.54 174.85 1mln h GLN 26 N 0.57 -0.31 -0.16 4.80 4.15 -1.22 -1.83 115.11 121.11 1mln h GLN 26 Ca 0.32 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.81 1mln h GLN 26 Cb 0.31 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 1mln h GLN 26 CO -0.25 -0.21 -0.29 -0.44 -1.93 0.00 0.00 178.83 175.72 1mln h ASP 27 N -0.33 -0.89 -0.40 -0.69 5.19 -1.24 0.18 116.42 118.24 1mln h ASP 27 Ca -0.03 0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1mln h ASP 27 Cb 0.25 0.39 -0.03 0.00 0.18 0.00 0.00 39.33 40.12 1mln h ASP 27 CO 0.05 -0.33 0.23 0.40 -3.12 0.00 0.00 179.24 176.47 1mln h ILE 28 N -0.34 1.02 -0.37 0.35 2.04 -1.17 -1.49 117.51 117.54 1mln h ILE 28 Ca 0.11 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1mln h ILE 28 Cb 0.51 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1mln h ILE 28 CO -0.35 0.08 -0.06 -0.07 0.00 0.00 0.00 178.15 177.75 1mln h LEU 29 N 0.46 0.70 -0.71 1.44 3.38 -1.07 -0.54 115.31 118.96 1mln h LEU 29 Ca 0.16 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1mln h LEU 29 Cb 0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1mln h LEU 29 CO -0.09 0.89 0.45 0.40 0.09 0.00 0.00 178.44 180.18 1mln h ILE 30 N 0.51 1.11 -0.94 1.22 2.04 -0.98 -0.74 117.51 119.72 1mln h ILE 30 Ca 0.10 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1mln h ILE 30 Cb 0.56 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1mln h ILE 30 CO 0.03 0.16 0.57 -0.09 0.00 0.00 0.00 178.15 178.83 1mln h ARG 31 N 0.89 1.27 -0.28 2.37 9.65 -0.97 0.10 114.38 127.41 1mln h ARG 31 Ca 0.28 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1mln h ARG 31 Cb -0.00 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.30 1mln h ARG 31 CO -0.10 0.89 0.07 1.25 2.80 0.00 0.00 179.97 184.88 1mln h LEU 32 N 1.30 0.43 -1.00 3.80 5.85 -0.88 0.56 115.31 125.37 1mln h LEU 32 Ca 0.34 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1mln h LEU 32 Cb -0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1mln h LEU 32 CO -0.06 0.55 -0.45 -0.26 -0.34 0.00 0.00 178.44 177.87 1mln h PHE 33 N 0.29 0.00 0.01 1.25 0.04 -0.85 0.17 116.94 117.85 1mln h PHE 33 Ca 0.09 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1mln h PHE 33 Cb 0.29 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.44 1mln h PHE 33 CO 0.01 0.45 -0.24 0.87 -0.60 0.00 0.00 178.31 178.80 1mln h LYS 34 N 0.00 0.15 -0.25 1.51 1.57 -0.20 -2.74 116.57 116.61 1mln h LYS 34 Ca -0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1mln h LYS 34 Cb 0.89 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1mln h LYS 34 CO 0.06 0.94 0.12 0.77 -0.57 0.00 0.00 179.45 180.77 1mln h SER 35 N -0.57 0.32 -2.94 0.86 0.02 -0.80 -3.38 113.55 107.06 1mln h SER 35 Ca -0.03 -0.12 -0.61 0.00 -0.84 0.00 0.00 61.79 60.19 1mln h SER 35 Cb 1.03 -0.08 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 1mln h SER 35 CO 0.05 0.35 -0.71 -1.00 -1.14 0.00 0.00 176.83 174.38 1mln s HIS 36 N -5.73 2.69 0.59 3.45 3.76 0.58 -4.99 115.29 115.64 1mln s HIS 36 Ca -0.13 -2.96 0.30 0.00 -0.15 0.00 0.00 55.06 52.11 1mln s HIS 36 Cb 0.08 -2.10 1.71 0.00 1.11 0.00 0.00 32.58 33.38 1mln s HIS 36 CO 0.71 -0.65 2.13 -1.35 -0.85 0.00 0.00 174.74 174.73 1mln h PRO 37 N 5.59 0.00 -0.77 8.40 0.11 -1.66 -0.38 132.00 143.29 1mln h PRO 37 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1mln h PRO 37 Cb 0.82 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 1mln h PRO 37 CO 0.59 0.00 0.51 1.05 -0.21 0.00 0.00 178.00 179.94 1mln h GLU 38 N 0.00 1.02 -0.45 1.05 9.09 -1.92 -2.06 114.58 121.30 1mln h GLU 38 Ca 0.07 -0.06 0.13 0.00 0.05 0.00 0.00 59.36 59.54 1mln h GLU 38 Cb 0.40 -0.23 -0.02 0.00 -1.65 0.00 0.00 28.75 27.25 1mln h GLU 38 CO -0.00 0.68 0.33 1.79 0.05 0.00 0.00 179.01 181.85 1mln h THR 39 N 1.05 0.78 0.00 -1.06 1.35 -1.40 -1.68 112.91 111.95 1mln h THR 39 Ca 0.28 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 66.13 1mln h THR 39 Cb -0.12 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1mln h THR 39 CO -0.06 0.00 -0.04 0.25 -0.25 0.00 0.00 175.52 175.42 1mln h LEU 40 N 0.02 0.00 -2.42 3.87 5.85 -1.55 -1.68 115.31 119.40 1mln h LEU 40 Ca 0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1mln h LEU 40 Cb 0.84 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1mln h LEU 40 CO -0.01 0.04 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.78 1mln h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.43 -1.43 114.58 118.04 1mln h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mln h GLU 41 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1mln h GLU 41 CO 0.01 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 1mln n LYS 42 N -3.70 0.14 -3.39 2.33 4.76 -0.63 -4.42 118.16 113.25 1mln n LYS 42 Ca -0.03 0.29 -0.44 0.00 -2.87 0.00 0.00 58.31 55.26 1mln n LYS 42 Cb 0.11 -1.73 -0.08 0.00 -1.84 0.00 0.00 35.03 31.50 1mln n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mln s PHE 43 N -3.16 3.24 -0.52 2.13 0.40 -0.54 -4.90 117.98 114.64 1mln s PHE 43 Ca 0.07 -0.93 0.24 0.00 -0.60 0.00 0.00 56.93 55.72 1mln s PHE 43 Cb 0.11 -3.18 0.95 0.00 0.51 0.00 0.00 43.02 41.42 1mln s PHE 43 CO 0.42 -0.80 1.73 -0.25 0.70 0.00 0.00 175.22 177.03 1mln n ASP 44 N 5.20 0.73 0.03 1.36 9.92 -1.26 -0.45 116.55 132.09 1mln n ASP 44 Ca -0.12 0.65 -0.06 0.00 -0.53 0.00 0.00 54.79 54.73 1mln n ASP 44 Cb 0.44 -0.82 -0.11 0.00 -0.64 0.00 0.00 41.12 39.99 1mln n ASP 44 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1mln h ARG 45 N 0.00 0.00 0.00 -1.24 2.43 -1.94 -3.36 114.38 110.27 1mln h ARG 45 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1mln h ARG 45 Cb 0.45 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1mln h ARG 45 CO 0.00 0.66 -1.32 1.19 -1.51 0.00 0.00 179.97 178.99 1mln n PHE 46 N -3.16 0.00 -0.01 2.20 3.72 0.40 -4.76 117.46 115.85 1mln n PHE 46 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.33 1mln n PHE 46 Cb 0.95 -0.17 0.02 0.00 -0.94 0.00 0.00 39.48 39.34 1mln n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mln n LYS 47 N -1.78 -0.00 0.19 -1.08 4.81 -0.32 -1.62 118.16 118.36 1mln n LYS 47 Ca -0.02 0.05 0.14 0.00 -0.87 0.00 0.00 58.31 57.61 1mln n LYS 47 Cb 0.23 -0.08 0.53 0.00 0.02 0.00 0.00 35.03 35.72 1mln n LYS 47 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1mln h HIS 48 N 0.00 0.00 -2.31 5.64 2.07 -1.86 -3.47 115.15 115.22 1mln h HIS 48 Ca 0.03 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.97 1mln h HIS 48 Cb 0.06 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.09 1mln h HIS 48 CO -0.01 0.00 0.93 1.28 -3.07 0.00 0.00 177.93 177.06 1mln n LEU 49 N -2.61 3.43 -0.09 6.12 4.77 -0.64 -4.92 117.00 123.06 1mln n LEU 49 Ca 0.02 1.04 -0.14 0.00 -0.03 0.00 0.00 56.01 56.90 1mln n LEU 49 Cb 0.30 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 39.80 1mln n LEU 49 CO 0.25 -0.11 -1.13 0.29 -1.33 0.00 0.00 177.39 175.36 1mln n LYS 50 N 4.47 0.68 -4.60 3.23 5.02 -1.26 -5.00 118.16 120.69 1mln n LYS 50 Ca 0.18 0.11 -0.27 0.00 -2.02 0.00 0.00 58.31 56.31 1mln n LYS 50 Cb 0.31 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1mln n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mln s THR 51 N -2.52 1.44 0.13 -0.18 -4.23 -1.26 -5.03 115.64 104.00 1mln s THR 51 Ca -0.20 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.51 1mln s THR 51 Cb 0.07 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.40 1mln s THR 51 CO 0.74 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.48 1mln h GLU 52 N 1.75 0.00 -0.23 3.99 4.81 -1.99 -0.93 114.58 121.98 1mln h GLU 52 Ca -0.42 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.61 1mln h GLU 52 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1mln h GLU 52 CO 0.74 0.34 -0.63 0.00 -0.73 0.00 0.00 179.01 178.72 1mln h ALA 53 N 1.66 0.44 -0.76 2.92 0.00 -1.99 -0.53 119.26 121.00 1mln h ALA 53 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1mln h ALA 53 Cb 0.88 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1mln h ALA 53 CO 0.04 0.69 0.41 0.93 0.00 0.00 0.00 179.25 181.31 1mln h GLU 54 N 0.60 1.06 -0.58 0.00 5.08 -1.73 -2.00 114.58 117.02 1mln h GLU 54 Ca -0.01 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1mln h GLU 54 Cb 1.24 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1mln h GLU 54 CO 0.13 0.79 0.25 0.52 -1.00 0.00 0.00 179.01 179.71 1mln h MET 55 N 1.05 0.85 0.00 2.33 2.86 -0.83 -2.35 114.93 118.85 1mln h MET 55 Ca 0.26 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1mln h MET 55 Cb 0.05 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1mln h MET 55 CO -0.04 0.72 -0.04 0.87 1.06 0.00 0.00 176.91 179.47 1mln h LYS 56 N 0.79 0.00 -0.01 1.72 1.57 -0.82 -1.73 116.57 118.09 1mln h LYS 56 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1mln h LYS 56 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1mln h LYS 56 CO -0.02 0.04 -0.49 0.00 -0.57 0.00 0.00 179.45 178.42 1mln n ALA 57 N -2.16 3.59 -2.62 3.86 0.00 -0.78 -4.83 120.51 117.58 1mln n ALA 57 Ca -0.01 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 1mln n ALA 57 Cb 0.21 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1mln n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mln s SER 58 N -2.55 6.80 0.29 0.00 0.15 -0.65 -4.89 113.70 112.85 1mln s SER 58 Ca 0.18 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 1mln s SER 58 Cb 0.18 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.39 1mln s SER 58 CO 0.60 -0.99 1.85 -0.08 1.20 0.00 0.00 173.24 175.82 1mln h GLU 59 N 8.51 0.82 -0.29 5.44 4.57 -1.88 -2.83 114.58 128.92 1mln h GLU 59 Ca -0.22 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 57.83 1mln h GLU 59 Cb 1.06 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 1mln h GLU 59 CO 1.05 0.71 0.15 -0.44 -1.18 0.00 0.00 179.01 179.31 1mln h ASP 60 N 0.80 0.23 -0.92 1.04 5.19 -1.97 -1.33 116.42 119.47 1mln h ASP 60 Ca 0.18 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 1mln h ASP 60 Cb 0.24 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 1mln h ASP 60 CO -0.01 0.17 0.60 0.25 -3.12 0.00 0.00 179.24 177.13 1mln h LEU 61 N 0.31 0.97 -0.47 1.55 6.46 -1.88 -1.81 115.31 120.44 1mln h LEU 61 Ca 0.12 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.72 1mln h LEU 61 Cb 0.02 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 1mln h LEU 61 CO -0.07 0.65 -0.36 0.50 -0.62 0.00 0.00 178.44 178.54 1mln h LYS 62 N 1.11 0.87 -0.44 1.25 3.64 -1.31 -1.04 116.57 120.65 1mln h LYS 62 Ca 0.37 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1mln h LYS 62 Cb 0.08 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1mln h LYS 62 CO -0.12 1.09 0.14 0.87 -2.27 0.00 0.00 179.45 179.16 1mln h LYS 63 N 0.72 0.68 -0.77 1.90 1.79 -1.01 -2.30 116.57 117.58 1mln h LYS 63 Ca 0.07 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 1mln h LYS 63 Cb 0.93 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 1mln h LYS 63 CO 0.09 0.65 0.34 1.25 -1.08 0.00 0.00 179.45 180.70 1mln h HIS 64 N 0.57 1.12 -0.92 -1.35 2.76 -0.98 -1.86 115.15 114.50 1mln h HIS 64 Ca 0.14 -0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1mln h HIS 64 Cb 0.25 -0.34 -0.07 0.00 1.55 0.00 0.00 27.41 28.79 1mln h HIS 64 CO 0.01 0.83 0.56 0.78 -1.30 0.00 0.00 177.93 178.81 1mln h GLY 65 N 1.14 1.44 0.97 5.26 0.00 -0.71 -0.62 103.07 110.55 1mln h GLY 65 Ca 0.26 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1mln h GLY 65 CO -0.03 0.19 0.23 -2.08 0.00 0.00 0.00 176.54 174.86 1mln h VAL 66 N 0.94 1.19 0.16 4.60 2.07 -1.08 -1.34 116.25 122.79 1mln h VAL 66 Ca 0.43 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1mln h VAL 66 Cb 0.35 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1mln h VAL 66 CO -0.23 0.22 -0.28 0.74 0.02 0.00 0.00 177.57 178.04 1mln h THR 67 N 0.65 0.40 -0.30 2.57 2.02 -0.79 0.21 112.91 117.67 1mln h THR 67 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 1mln h THR 67 Cb 0.12 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1mln h THR 67 CO -0.02 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.41 1mln h ILE 68 N -0.51 0.97 -0.14 3.11 2.04 -1.07 -2.32 117.51 119.59 1mln h ILE 68 Ca 0.02 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 1mln h ILE 68 Cb 0.52 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1mln h ILE 68 CO -0.14 0.05 -0.51 -0.07 0.00 0.00 0.00 178.15 177.49 1mln h LEU 69 N 0.29 0.41 -0.28 1.44 3.38 -1.11 -0.71 115.31 118.73 1mln h LEU 69 Ca 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1mln h LEU 69 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1mln h LEU 69 CO -0.10 0.85 0.05 0.74 0.09 0.00 0.00 178.44 180.07 1mln h THR 70 N 0.30 1.23 -0.41 0.22 2.02 -0.93 0.05 112.91 115.38 1mln h THR 70 Ca 0.01 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 1mln h THR 70 Cb 1.00 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1mln h THR 70 CO 0.09 0.25 0.14 0.00 0.37 0.00 0.00 175.52 176.37 1mln h ALA 71 N 0.88 1.48 -0.18 6.16 0.00 -1.08 -2.00 119.26 124.52 1mln h ALA 71 Ca 0.09 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1mln h ALA 71 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1mln h ALA 71 CO 0.00 0.39 -0.65 1.25 0.00 0.00 0.00 179.25 180.24 1mln h LEU 72 N 0.58 0.77 -1.10 0.00 5.85 -1.03 -2.45 115.31 117.93 1mln h LEU 72 Ca 0.14 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 1mln h LEU 72 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1mln h LEU 72 CO -0.01 1.22 -0.04 1.23 -0.34 0.00 0.00 178.44 180.50 1mln h GLY 73 N 0.88 0.64 2.00 3.75 0.00 -0.84 -0.16 103.07 109.34 1mln h GLY 73 Ca -0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1mln h GLY 73 CO 0.13 0.38 -0.54 0.00 0.00 0.00 0.00 176.54 176.51 1mln h ALA 74 N 1.41 0.94 -0.12 3.60 0.00 -0.92 -1.53 119.26 122.64 1mln h ALA 74 Ca 0.11 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1mln h ALA 74 Cb 0.41 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1mln h ALA 74 CO 0.02 0.67 -0.76 0.82 0.00 0.00 0.00 179.25 180.00 1mln h ILE 75 N 0.00 1.30 -0.22 0.00 2.04 -0.75 -2.98 117.51 116.89 1mln h ILE 75 Ca -0.01 -1.98 -0.10 0.00 1.00 0.00 0.00 64.86 63.77 1mln h ILE 75 Cb 1.06 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1mln h ILE 75 CO 0.07 0.62 -0.28 -0.07 0.00 0.00 0.00 178.15 178.49 1mln h LEU 76 N 0.41 0.44 -1.72 1.44 3.38 -0.71 -1.22 115.31 117.34 1mln h LEU 76 Ca -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1mln h LEU 76 Cb 1.40 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1mln h LEU 76 CO 0.15 0.72 -0.12 0.11 0.09 0.00 0.00 178.44 179.39 1mln h LYS 77 N 0.39 0.00 0.00 1.13 1.57 -1.16 -1.11 116.57 117.39 1mln h LYS 77 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1mln h LYS 77 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1mln h LYS 77 CO 0.05 0.12 -0.17 0.87 -0.57 0.00 0.00 179.45 179.75 1mln h LYS 78 N 0.00 0.00 -5.02 3.15 1.79 -1.07 -3.48 116.57 111.93 1mln h LYS 78 Ca -0.00 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 1mln h LYS 78 Cb 0.45 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.23 1mln h LYS 78 CO 0.02 0.17 -0.62 1.63 -1.08 0.00 0.00 179.45 179.57 1mln n LYS 79 N -3.71 -5.84 0.00 3.15 5.02 -0.42 -2.06 118.16 114.31 1mln n LYS 79 Ca -0.02 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1mln n LYS 79 Cb 0.28 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1mln n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mln n GLY 80 N -1.30 3.06 2.71 0.72 0.00 -1.26 -4.95 105.19 104.16 1mln n GLY 80 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1mln n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mln n HIS 81 N -0.31 3.01 0.00 1.61 8.25 -0.87 -4.58 115.22 122.33 1mln n HIS 81 Ca 0.00 -2.88 0.01 0.00 -0.26 0.00 0.00 57.72 54.59 1mln n HIS 81 Cb 0.00 -2.17 0.03 0.00 1.12 0.00 0.00 29.99 28.96 1mln n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mln n HIS 82 N 4.22 0.07 -0.31 4.41 1.44 -1.26 -4.74 115.22 119.04 1mln n HIS 82 Ca 0.51 -0.36 0.03 0.00 -2.01 0.00 0.00 57.72 55.88 1mln n HIS 82 Cb 0.34 -0.03 0.08 0.00 0.12 0.00 0.00 29.99 30.50 1mln n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1mln n GLU 83 N -0.17 -0.13 -0.04 -1.40 4.71 -1.26 -1.70 120.64 120.65 1mln n GLU 83 Ca 0.02 1.31 -0.03 0.00 -0.01 0.00 0.00 57.16 58.45 1mln n GLU 83 Cb 0.22 -1.95 0.21 0.00 -1.01 0.00 0.00 31.44 28.91 1mln n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1mln h ALA 84 N 1.47 1.19 -0.19 0.62 0.00 -2.00 -2.68 119.26 117.66 1mln h ALA 84 Ca 0.36 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1mln h ALA 84 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1mln h ALA 84 CO -0.86 0.52 -0.32 0.93 0.00 0.00 0.00 179.25 179.53 1mln h GLU 85 N 0.58 0.38 0.00 0.00 3.07 -1.78 -3.17 114.58 113.66 1mln h GLU 85 Ca 0.11 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 58.73 1mln h GLU 85 Cb 0.47 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1mln h GLU 85 CO 0.02 0.66 -0.38 -0.07 -1.40 0.00 0.00 179.01 177.85 1mln h LEU 86 N 0.33 0.00 0.34 1.33 4.07 -0.99 -3.35 115.31 117.04 1mln h LEU 86 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1mln h LEU 86 Cb 0.73 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1mln h LEU 86 CO 0.06 0.38 -0.26 0.11 -1.08 0.00 0.00 178.44 177.64 1mln h LYS 87 N 0.00 -0.56 0.00 1.13 1.57 -1.48 0.72 116.57 117.95 1mln h LYS 87 Ca -0.00 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1mln h LYS 87 Cb 1.02 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1mln h LYS 87 CO 0.05 -0.37 -0.02 -1.00 -0.57 0.00 0.00 179.45 177.54 1mln h PRO 88 N -0.58 0.00 -0.26 3.15 0.13 -1.77 -1.66 132.00 131.01 1mln h PRO 88 Ca -0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.93 1mln h PRO 88 Cb 0.48 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1mln h PRO 88 CO 0.01 0.02 -0.44 1.25 -0.23 0.00 0.00 178.00 178.61 1mln h LEU 89 N 0.00 0.84 -0.88 1.56 5.85 -1.62 -2.18 115.31 118.89 1mln h LEU 89 Ca -0.00 -0.53 -0.11 0.00 0.84 0.00 0.00 57.88 58.09 1mln h LEU 89 Cb 0.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1mln h LEU 89 CO 0.00 1.20 -0.33 0.00 -0.34 0.00 0.00 178.44 178.97 1mln h ALA 90 N 0.66 1.04 -0.14 1.25 0.00 -0.61 -1.46 119.26 120.01 1mln h ALA 90 Ca 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1mln h ALA 90 Cb 1.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1mln h ALA 90 CO 0.10 0.59 -0.07 0.37 0.00 0.00 0.00 179.25 180.24 1mln h GLN 91 N 0.37 0.29 -0.02 0.00 4.15 -1.22 0.16 115.11 118.83 1mln h GLN 91 Ca 0.04 -0.13 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 1mln h GLN 91 Cb 0.77 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1mln h GLN 91 CO 0.06 0.63 -0.59 0.66 -1.93 0.00 0.00 178.83 177.66 1mln h SER 92 N -0.06 0.08 1.02 -0.69 4.64 -1.34 -1.42 113.55 115.78 1mln h SER 92 Ca 0.03 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1mln h SER 92 Cb 0.54 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1mln h SER 92 CO 0.02 0.65 -0.80 0.45 -0.87 0.00 0.00 176.83 176.27 1mln h HIS 93 N 0.05 0.00 0.00 4.77 3.86 -1.09 -0.71 115.15 122.03 1mln h HIS 93 Ca -0.01 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1mln h HIS 93 Cb 1.05 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.50 1mln h HIS 93 CO 0.01 0.80 -0.87 0.00 0.86 0.00 0.00 177.93 178.74 1mln h ALA 94 N 1.20 0.65 0.00 2.45 0.00 -0.56 -0.24 119.26 122.75 1mln h ALA 94 Ca -0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 1mln h ALA 94 Cb 1.53 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1mln h ALA 94 CO 0.10 0.75 -1.57 2.41 0.00 0.00 0.00 179.25 180.94 1mln n THR 95 N -3.10 0.57 -0.12 0.00 -1.04 -0.55 -4.11 114.28 105.93 1mln n THR 95 Ca -0.02 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.05 61.49 1mln n THR 95 Cb 0.78 -0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 68.35 1mln n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1mln n LYS 96 N -2.62 0.56 0.08 -2.82 4.81 -0.43 -4.65 118.16 113.10 1mln n LYS 96 Ca -0.16 0.20 -0.23 0.00 -0.87 0.00 0.00 58.31 57.25 1mln n LYS 96 Cb 0.72 -1.43 -0.15 0.00 0.02 0.00 0.00 35.03 34.18 1mln n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mln h HIS 97 N -0.55 0.74 -4.26 5.64 3.86 -1.36 -3.49 115.15 115.74 1mln h HIS 97 Ca -0.60 -0.54 -0.09 0.00 -1.16 0.00 0.00 60.37 57.98 1mln h HIS 97 Cb 1.67 -0.03 0.07 0.00 1.06 0.00 0.00 27.41 30.18 1mln h HIS 97 CO -0.04 1.64 -0.30 1.63 0.86 0.00 0.00 177.93 181.71 1mln n LYS 98 N -3.60 -1.01 -3.54 2.45 4.01 -0.25 -4.99 118.16 111.22 1mln n LYS 98 Ca -0.23 0.64 -0.40 0.00 -0.51 0.00 0.00 58.31 57.81 1mln n LYS 98 Cb 1.08 -3.74 -0.11 0.00 -0.51 0.00 0.00 35.03 31.75 1mln n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mln s ILE 99 N -3.14 5.27 0.46 -0.18 -1.09 -0.33 -5.03 121.20 117.17 1mln s ILE 99 Ca 0.16 -0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 58.17 1mln s ILE 99 Cb -0.02 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 37.10 1mln s ILE 99 CO 0.39 0.02 1.15 -2.16 -1.23 0.00 0.00 174.94 173.11 1mln s PRO 100 N 1.72 3.75 0.32 2.79 0.04 -1.26 -4.83 135.00 137.53 1mln s PRO 100 Ca 0.06 1.74 0.10 0.00 0.04 0.00 0.00 61.00 62.94 1mln s PRO 100 Cb -0.17 -2.38 0.88 0.00 0.04 0.00 0.00 34.50 32.87 1mln s PRO 100 CO 0.10 -0.55 1.74 0.82 0.04 0.00 0.00 177.00 179.15 1mln h ILE 101 N 1.84 0.55 -0.95 0.56 1.08 -1.99 0.53 117.51 119.14 1mln h ILE 101 Ca -0.49 -0.20 0.24 0.00 -0.39 0.00 0.00 64.86 64.02 1mln h ILE 101 Cb 1.25 -0.09 -0.13 0.00 -3.07 0.00 0.00 36.82 34.77 1mln h ILE 101 CO 0.60 0.11 0.48 0.50 -0.69 0.00 0.00 178.15 179.14 1mln h LYS 102 N 0.59 0.42 -0.27 2.37 1.63 -2.00 -0.85 116.57 118.46 1mln h LYS 102 Ca 0.64 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 60.26 1mln h LYS 102 Cb 1.20 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1mln h LYS 102 CO -0.46 0.28 -0.44 1.88 -3.45 0.00 0.00 179.45 177.26 1mln h TYR 103 N 0.44 0.82 -0.24 1.91 -1.99 -1.23 -1.52 116.97 115.16 1mln h TYR 103 Ca 0.61 -0.26 -0.04 0.00 2.00 0.00 0.00 58.73 61.05 1mln h TYR 103 Cb 1.21 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 1mln h TYR 103 CO -0.08 1.00 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.97 1mln h LEU 104 N 0.55 0.33 -0.44 3.88 3.38 -1.24 -1.50 115.31 120.27 1mln h LEU 104 Ca 0.04 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1mln h LEU 104 Cb 0.98 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1mln h LEU 104 CO 0.09 0.43 0.02 -0.33 0.09 0.00 0.00 178.44 178.73 1mln h GLU 105 N 0.35 0.77 -0.86 1.13 5.08 -0.53 -2.21 114.58 118.31 1mln h GLU 105 Ca 0.08 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1mln h GLU 105 Cb 0.30 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1mln h GLU 105 CO 0.01 0.83 0.56 0.74 -1.00 0.00 0.00 179.01 180.15 1mln h PHE 106 N 0.62 1.05 0.00 4.33 0.04 -1.09 -1.41 116.94 120.48 1mln h PHE 106 Ca 0.13 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 1mln h PHE 106 Cb 0.47 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1mln h PHE 106 CO 0.04 0.62 -0.57 0.97 -0.60 0.00 0.00 178.31 178.77 1mln h ILE 107 N 1.10 1.25 -0.67 -0.55 2.10 -1.24 -2.26 117.51 117.25 1mln h ILE 107 Ca 0.33 -2.07 0.00 0.00 1.08 0.00 0.00 64.86 64.21 1mln h ILE 107 Cb -0.04 2.17 -0.03 0.00 -1.09 0.00 0.00 36.82 37.82 1mln h ILE 107 CO -0.10 0.56 0.42 0.28 -1.08 0.00 0.00 178.15 178.24 1mln h SER 108 N 0.00 0.78 -0.82 2.19 0.02 -0.73 0.14 113.55 115.13 1mln h SER 108 Ca -0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1mln h SER 108 Cb 1.12 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1mln h SER 108 CO 0.07 0.59 0.36 -0.08 -1.14 0.00 0.00 176.83 176.63 1mln h GLU 109 N 0.90 1.21 -0.37 3.45 4.81 -1.10 -1.67 114.58 121.81 1mln h GLU 109 Ca 0.24 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1mln h GLU 109 Cb -0.07 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1mln h GLU 109 CO -0.05 0.96 -0.19 0.00 -0.73 0.00 0.00 179.01 178.99 1mln h ALA 110 N 1.20 0.96 0.08 2.92 0.00 -0.75 -1.01 119.26 122.66 1mln h ALA 110 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1mln h ALA 110 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mln h ALA 110 CO -0.03 0.60 -0.04 0.82 0.00 0.00 0.00 179.25 180.61 1mln h ILE 111 N 0.63 1.06 -0.41 0.00 2.04 -0.40 -1.53 117.51 118.89 1mln h ILE 111 Ca 0.10 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1mln h ILE 111 Cb 0.67 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1mln h ILE 111 CO 0.05 0.12 0.27 0.40 0.00 0.00 0.00 178.15 178.99 1mln h ILE 112 N -0.32 1.06 0.18 -0.67 2.04 -1.19 -1.00 117.51 117.61 1mln h ILE 112 Ca -0.01 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1mln h ILE 112 Cb 0.27 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1mln h ILE 112 CO 0.02 0.09 -0.08 -0.74 0.00 0.00 0.00 178.15 177.43 1mln h HIS 113 N 0.49 -0.22 -0.26 1.37 2.76 -0.86 -0.91 115.15 117.52 1mln h HIS 113 Ca 0.16 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1mln h HIS 113 Cb 0.04 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1mln h HIS 113 CO -0.00 0.03 0.11 0.28 -1.30 0.00 0.00 177.93 177.05 1mln h VAL 114 N -0.45 1.16 -0.59 5.26 2.07 -1.03 -0.58 116.25 122.09 1mln h VAL 114 Ca -0.02 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1mln h VAL 114 Cb 0.35 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1mln h VAL 114 CO 0.04 0.17 0.30 -0.07 0.02 0.00 0.00 177.57 178.03 1mln h LEU 115 N 0.28 0.43 -0.31 2.57 4.07 -1.15 -0.03 115.31 121.17 1mln h LEU 115 Ca 0.09 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.12 1mln h LEU 115 Cb 0.16 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 1mln h LEU 115 CO -0.01 0.29 0.09 -0.74 -1.08 0.00 0.00 178.44 176.99 1mln h HIS 116 N 0.57 0.16 -0.28 1.13 2.76 -0.99 -0.16 115.15 118.34 1mln h HIS 116 Ca 0.26 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1mln h HIS 116 Cb 0.18 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1mln h HIS 116 CO -0.10 0.06 0.09 0.77 -1.30 0.00 0.00 177.93 177.45 1mln h SER 117 N 0.22 0.40 1.06 3.26 0.02 -0.63 -3.31 113.55 114.57 1mln h SER 117 Ca 0.14 -0.20 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 1mln h SER 117 Cb 0.13 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1mln h SER 117 CO -0.16 0.50 -0.95 0.03 -1.14 0.00 0.00 176.83 175.10 1mln h ARG 118 N 0.28 0.00 -1.74 3.45 3.08 -0.99 -3.40 114.38 115.06 1mln h ARG 118 Ca 0.09 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.58 1mln h ARG 118 Cb 0.24 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.87 1mln h ARG 118 CO -0.00 0.84 -0.78 0.72 -1.07 0.00 0.00 179.97 179.68 1mln n HIS 119 N -3.29 3.19 0.01 3.04 8.25 -0.08 -4.94 115.22 121.41 1mln n HIS 119 Ca -0.01 -3.41 0.06 0.00 -0.26 0.00 0.00 57.72 54.10 1mln n HIS 119 Cb 0.90 -0.26 0.45 0.00 1.12 0.00 0.00 29.99 32.20 1mln n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mln h PRO 120 N 2.78 0.48 0.00 -0.41 0.13 -1.73 -0.44 132.00 132.80 1mln h PRO 120 Ca 0.19 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1mln h PRO 120 Cb 0.82 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1mln h PRO 120 CO 0.78 0.31 -0.09 0.78 -0.23 0.00 0.00 178.00 179.56 1mln h GLY 121 N 0.49 0.00 -1.83 1.56 0.00 -1.92 -2.95 103.07 98.42 1mln h GLY 121 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1mln h GLY 121 CO -0.04 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.20 1mln n ASN 122 N -3.13 3.74 -2.70 0.19 3.02 -0.52 -4.64 115.26 111.22 1mln n ASN 122 Ca 0.03 -2.49 -0.07 0.00 -0.03 0.00 0.00 54.58 52.02 1mln n ASN 122 Cb 0.54 -0.43 0.04 0.00 -0.61 0.00 0.00 39.78 39.31 1mln n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mln n PHE 123 N 0.27 1.36 -0.12 3.10 7.35 -0.29 -4.64 117.46 124.50 1mln n PHE 123 Ca 0.19 -2.55 -0.01 0.00 -0.76 0.00 0.00 57.45 54.32 1mln n PHE 123 Cb 0.71 -0.31 0.01 0.00 0.35 0.00 0.00 39.48 40.24 1mln n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mln n GLY 124 N -0.30 -3.45 0.19 7.13 0.00 -1.25 -4.64 105.19 102.87 1mln n GLY 124 Ca 0.11 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1mln n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mln h ALA 125 N -2.03 0.42 -0.52 4.61 0.00 -1.98 0.33 119.26 120.09 1mln h ALA 125 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1mln h ALA 125 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1mln h ALA 125 CO 0.01 0.25 -0.07 -0.44 0.00 0.00 0.00 179.25 179.00 1mln h ASP 126 N 0.36 0.91 -0.29 0.00 3.32 -1.99 -1.27 116.42 117.46 1mln h ASP 126 Ca 0.08 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 1mln h ASP 126 Cb 0.58 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1mln h ASP 126 CO 0.03 1.01 -0.21 0.00 -1.72 0.00 0.00 179.24 178.36 1mln h ALA 127 N 1.08 0.91 -0.33 3.45 0.00 -1.79 -0.97 119.26 121.60 1mln h ALA 127 Ca 0.14 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1mln h ALA 127 Cb 0.59 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1mln h ALA 127 CO 0.04 0.62 -0.20 0.37 0.00 0.00 0.00 179.25 180.08 1mln h GLN 128 N 0.67 0.62 -0.36 0.00 4.15 -0.74 -0.07 115.11 119.38 1mln h GLN 128 Ca 0.10 -0.22 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 1mln h GLN 128 Cb 0.71 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1mln h GLN 128 CO 0.05 0.78 0.02 0.78 -1.93 0.00 0.00 178.83 178.53 1mln h GLY 129 N 0.99 0.67 1.00 2.39 0.00 -0.98 0.49 103.07 107.63 1mln h GLY 129 Ca 0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1mln h GLY 129 CO 0.05 0.44 0.31 0.00 0.00 0.00 0.00 176.54 177.34 1mln h ALA 130 N 0.88 0.83 -0.65 3.60 0.00 -0.90 -1.38 119.26 121.63 1mln h ALA 130 Ca 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1mln h ALA 130 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1mln h ALA 130 CO 0.01 0.39 0.25 1.98 0.00 0.00 0.00 179.25 181.88 1mln h MET 131 N 0.89 0.96 -0.51 0.00 -1.53 -0.77 -0.90 114.93 113.06 1mln h MET 131 Ca 0.22 -0.16 -0.06 0.00 -3.44 0.00 0.00 59.70 56.26 1mln h MET 131 Cb 0.12 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.99 1mln h MET 131 CO -0.03 0.79 0.08 -0.97 0.14 0.00 0.00 176.91 176.92 1mln h ASN 132 N 0.94 0.81 -0.56 1.39 -1.24 -0.82 -0.28 115.58 115.83 1mln h ASN 132 Ca 0.22 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 1mln h ASN 132 Cb 0.20 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1mln h ASN 132 CO -0.02 0.87 0.30 0.50 -1.29 0.00 0.00 177.43 177.79 1mln h LYS 133 N 0.72 0.82 -0.00 6.67 3.64 -1.00 0.14 116.57 127.56 1mln h LYS 133 Ca 0.15 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1mln h LYS 133 Cb 0.41 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1mln h LYS 133 CO 0.01 0.62 -0.68 0.00 -2.27 0.00 0.00 179.45 177.13 1mln h ALA 134 N 1.51 0.88 0.08 5.00 0.00 -0.49 -0.61 119.26 125.62 1mln h ALA 134 Ca 0.21 -0.62 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 1mln h ALA 134 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mln h ALA 134 CO -0.03 0.85 -1.31 -0.07 0.00 0.00 0.00 179.25 178.68 1mln h LEU 135 N 0.00 0.25 -0.74 0.00 3.38 -0.77 -1.63 115.31 115.80 1mln h LEU 135 Ca -0.01 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1mln h LEU 135 Cb 1.20 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1mln h LEU 135 CO 0.09 1.25 0.46 -0.33 0.09 0.00 0.00 178.44 180.00 1mln h GLU 136 N 0.04 1.00 -0.04 1.13 5.08 -0.55 -0.27 114.58 120.97 1mln h GLU 136 Ca -0.15 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1mln h GLU 136 Cb 1.93 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1mln h GLU 136 CO 0.16 0.69 -0.07 1.25 -1.00 0.00 0.00 179.01 180.04 1mln h LEU 137 N 1.01 -0.21 -0.38 1.33 5.85 -0.87 0.30 115.31 122.34 1mln h LEU 137 Ca 0.27 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.09 1mln h LEU 137 Cb -0.06 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1mln h LEU 137 CO -0.05 -0.10 0.01 0.15 -0.34 0.00 0.00 178.44 178.11 1mln h PHE 138 N -0.11 0.00 -0.68 1.25 3.57 -1.13 -1.25 116.94 118.60 1mln h PHE 138 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1mln h PHE 138 Cb 0.16 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1mln h PHE 138 CO -0.16 -0.06 0.18 0.00 -2.23 0.00 0.00 178.31 176.05 1mln h ARG 139 N 0.12 1.05 -0.37 1.11 3.08 -0.77 0.11 114.38 118.71 1mln h ARG 139 Ca 0.19 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1mln h ARG 139 Cb 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1mln h ARG 139 CO -0.30 0.92 0.09 -0.22 -1.07 0.00 0.00 179.97 179.38 1mln h LYS 140 N 1.01 0.59 -0.41 0.04 3.64 -0.70 0.50 116.57 121.23 1mln h LYS 140 Ca 0.22 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1mln h LYS 140 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1mln h LYS 140 CO -0.00 0.64 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.35 1mln h ASP 141 N 0.45 0.74 -0.37 4.20 5.19 -0.96 -2.26 116.42 123.41 1mln h ASP 141 Ca 0.11 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1mln h ASP 141 Cb 0.31 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1mln h ASP 141 CO 0.00 0.89 0.18 0.40 -3.12 0.00 0.00 179.24 177.59 1mln h ILE 142 N 0.58 1.16 -0.30 0.35 1.08 -0.95 -2.03 117.51 117.40 1mln h ILE 142 Ca 0.11 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1mln h ILE 142 Cb 0.52 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1mln h ILE 142 CO 0.03 0.17 0.20 0.00 -0.69 0.00 0.00 178.15 177.86 1mln h ALA 143 N 1.04 1.89 -0.12 1.87 0.00 -0.73 0.06 119.26 123.27 1mln h ALA 143 Ca 0.13 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1mln h ALA 143 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mln h ALA 143 CO -0.02 0.07 -0.61 0.00 0.00 0.00 0.00 179.25 178.69 1mln h ALA 144 N 1.83 0.73 -0.14 0.00 0.00 -1.23 -1.89 119.26 118.56 1mln h ALA 144 Ca 0.12 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1mln h ALA 144 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mln h ALA 144 CO -0.03 0.72 -0.65 0.87 0.00 0.00 0.00 179.25 180.16 1mln h LYS 145 N 0.30 0.53 -0.32 0.00 6.56 -0.80 -2.47 116.57 120.38 1mln h LYS 145 Ca -0.01 -0.39 0.04 0.00 -1.06 0.00 0.00 60.65 59.24 1mln h LYS 145 Cb 1.14 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.83 1mln h LYS 145 CO 0.10 1.01 0.08 1.88 -2.06 0.00 0.00 179.45 180.47 1mln h TYR 146 N 0.39 0.15 -0.27 -1.35 -1.99 -0.67 -0.43 116.97 112.79 1mln h TYR 146 Ca -0.02 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.75 1mln h TYR 146 Cb 1.22 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.91 1mln h TYR 146 CO 0.05 0.05 0.12 0.87 -0.00 0.00 0.00 178.16 179.25 1mln h LYS 147 N 0.21 0.25 -0.66 4.88 1.79 -1.11 -0.83 116.57 121.09 1mln h LYS 147 Ca 0.15 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1mln h LYS 147 Cb 0.14 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1mln h LYS 147 CO -0.17 0.16 0.44 0.93 -1.08 0.00 0.00 179.45 179.73 1mln h GLU 148 N 0.25 0.75 0.00 3.15 5.08 -1.08 -1.84 114.58 120.90 1mln h GLU 148 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1mln h GLU 148 Cb 0.05 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1mln h GLU 148 CO -0.09 0.50 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 1mln n LEU 149 N -4.46 0.00 0.00 1.33 4.77 -0.20 -4.94 117.00 113.49 1mln n LEU 149 Ca 0.08 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1mln n LEU 149 Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1mln n LEU 149 CO 0.35 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1mln n GLY 150 N 1.30 0.47 3.88 -0.72 0.00 -0.62 -5.05 105.19 104.45 1mln n GLY 150 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1mln n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mln s TYR 151 N -2.00 3.52 0.00 1.61 5.04 -0.41 -5.00 117.35 120.11 1mln s TYR 151 Ca 0.00 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.31 1mln s TYR 151 Cb 0.00 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.22 1mln s TYR 151 CO 0.00 0.46 0.00 0.94 -1.34 0.00 0.00 175.55 175.61 1mln n GLN 152 N 0.47 0.00 0.00 4.97 7.27 -1.26 -3.60 117.38 125.23 1mln n GLN 152 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1mln n GLN 152 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 1mln n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54