#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cik s VAL 1 N 0.00 0.30 0.29 3.17 1.01 -1.26 -5.07 120.40 118.84 1cik s VAL 1 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1cik s VAL 1 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 36.38 35.93 1cik s VAL 1 CO 0.00 0.18 0.65 -0.76 0.00 0.00 0.00 175.10 175.17 1cik s LEU 2 N 1.05 4.08 0.76 3.92 1.02 -1.26 -5.07 118.68 123.18 1cik s LEU 2 Ca -0.09 1.09 -0.11 0.00 0.02 0.00 0.00 54.13 55.03 1cik s LEU 2 Cb -0.14 -3.89 0.05 0.00 0.02 0.00 0.00 46.19 42.23 1cik s LEU 2 CO -0.01 -0.17 1.10 -0.94 0.02 0.00 0.00 176.35 176.34 1cik s SER 3 N -2.44 4.87 0.31 2.29 1.04 -1.26 -4.89 113.70 113.61 1cik s SER 3 Ca 0.51 1.24 -0.00 0.00 0.48 0.00 0.00 55.95 58.17 1cik s SER 3 Cb -0.11 -2.00 0.50 0.00 0.10 0.00 0.00 66.02 64.52 1cik s SER 3 CO 0.21 -1.72 1.94 -0.08 0.98 0.00 0.00 173.24 174.57 1cik h GLU 4 N -0.92 1.02 -0.17 4.02 4.57 -1.99 -1.19 114.58 119.93 1cik h GLU 4 Ca -0.46 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 57.54 1cik h GLU 4 Cb 1.26 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1cik h GLU 4 CO 0.61 0.68 -0.42 0.78 -1.18 0.00 0.00 179.01 179.47 1cik h GLY 5 N 1.05 0.42 0.89 1.92 0.00 -1.99 -0.14 103.07 105.22 1cik h GLY 5 Ca 0.34 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1cik h GLY 5 CO -0.10 0.38 0.08 0.83 0.00 0.00 0.00 176.54 177.73 1cik h GLU 6 N 0.32 0.40 -0.61 4.80 5.08 -1.83 -2.39 114.58 120.36 1cik h GLU 6 Ca 0.03 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1cik h GLU 6 Cb 0.88 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1cik h GLU 6 CO 0.07 0.48 0.32 -1.49 -1.00 0.00 0.00 179.01 177.39 1cik h TRP 7 N 0.26 0.82 -0.52 4.33 4.06 -0.77 -2.02 115.95 122.12 1cik h TRP 7 Ca 0.08 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 1cik h TRP 7 Cb 0.24 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 1cik h TRP 7 CO 0.00 0.58 0.14 1.96 -3.56 0.00 0.00 178.44 177.56 1cik h GLN 8 N 0.84 0.78 -0.62 0.49 1.08 -0.85 0.07 115.11 116.91 1cik h GLN 8 Ca 0.21 -0.15 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1cik h GLN 8 Cb 0.04 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1cik h GLN 8 CO -0.03 0.69 0.02 -0.07 -0.95 0.00 0.00 178.83 178.49 1cik h LEU 9 N 0.75 1.05 0.18 1.46 3.38 -0.88 -0.70 115.31 120.55 1cik h LEU 9 Ca 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1cik h LEU 9 Cb 0.26 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1cik h LEU 9 CO -0.00 1.08 -0.08 0.58 0.09 0.00 0.00 178.44 180.10 1cik h VAL 10 N 0.99 0.92 0.00 1.22 2.07 -1.06 -3.02 116.25 117.36 1cik h VAL 10 Ca 0.18 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1cik h VAL 10 Cb 0.53 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1cik h VAL 10 CO 0.03 0.10 -0.20 -0.07 0.02 0.00 0.00 177.57 177.45 1cik h LEU 11 N -0.46 0.00 -0.25 2.57 3.38 -0.92 -1.23 115.31 118.40 1cik h LEU 11 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1cik h LEU 11 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cik h LEU 11 CO 0.04 0.20 -0.00 -0.74 0.09 0.00 0.00 178.44 178.03 1cik h HIS 12 N 0.00 0.48 -0.13 1.13 2.76 -1.13 -1.25 115.15 117.00 1cik h HIS 12 Ca -0.00 -0.08 -0.15 0.00 -2.20 0.00 0.00 60.37 57.94 1cik h HIS 12 Cb 0.80 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1cik h HIS 12 CO 0.00 0.61 -0.55 -0.24 -1.30 0.00 0.00 177.93 176.45 1cik h VAL 13 N 0.22 1.34 -0.15 5.26 3.04 -1.39 -3.01 116.25 121.55 1cik h VAL 13 Ca 0.07 -1.83 -0.05 0.00 -1.01 0.00 0.00 66.70 63.88 1cik h VAL 13 Cb 0.42 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 1cik h VAL 13 CO 0.01 0.55 -0.14 -0.25 -1.01 0.00 0.00 177.57 176.74 1cik h TRP 14 N 0.31 0.25 -0.47 3.17 2.91 -1.08 -1.15 115.95 119.89 1cik h TRP 14 Ca 0.00 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 1cik h TRP 14 Cb 1.06 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.62 1cik h TRP 14 CO 0.03 0.38 0.29 0.00 -1.03 0.00 0.00 178.44 178.11 1cik h ALA 15 N 1.64 1.63 -0.25 2.65 0.00 -1.09 -1.01 119.26 122.83 1cik h ALA 15 Ca 0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1cik h ALA 15 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1cik h ALA 15 CO 0.02 0.33 -0.44 0.87 0.00 0.00 0.00 179.25 180.03 1cik h LYS 16 N 0.64 0.74 -0.72 0.00 1.79 -1.25 -3.11 116.57 114.66 1cik h LYS 16 Ca 0.17 -0.46 0.12 0.00 -2.18 0.00 0.00 60.65 58.29 1cik h LYS 16 Cb -0.04 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.58 1cik h LYS 16 CO -0.03 1.09 0.31 0.28 -1.08 0.00 0.00 179.45 180.01 1cik h VAL 17 N 0.48 0.74 0.00 0.50 2.07 -0.82 -2.00 116.25 117.21 1cik h VAL 17 Ca 0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1cik h VAL 17 Cb 1.04 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1cik h VAL 17 CO 0.10 0.09 0.00 -0.62 0.02 0.00 0.00 177.57 177.16 1cik n GLU 18 N -4.95 0.01 0.26 1.57 1.02 -0.44 -1.45 120.64 116.66 1cik n GLU 18 Ca 0.12 0.36 0.15 0.00 -0.02 0.00 0.00 57.16 57.78 1cik n GLU 18 Cb 0.35 -1.52 0.61 0.00 -0.02 0.00 0.00 31.44 30.85 1cik n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cik h ALA 19 N 2.28 1.01 -1.16 0.62 0.00 -1.36 -3.37 119.26 117.29 1cik h ALA 19 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.46 1cik h ALA 19 Cb 0.15 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.66 1cik h ALA 19 CO 0.00 0.07 -0.80 -3.47 0.00 0.00 0.00 179.25 175.05 1cik n ASP 20 N -3.18 -1.41 -0.25 0.00 2.03 -0.53 -5.01 116.55 108.20 1cik n ASP 20 Ca 0.01 -2.92 -0.07 0.00 0.52 0.00 0.00 54.79 52.32 1cik n ASP 20 Cb 0.34 0.55 0.05 0.00 -0.72 0.00 0.00 41.12 41.34 1cik n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1cik h VAL 21 N 2.89 1.24 -0.30 5.18 2.07 -1.72 -2.21 116.25 123.40 1cik h VAL 21 Ca 0.00 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1cik h VAL 21 Cb 0.96 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1cik h VAL 21 CO 0.36 0.30 -0.04 0.00 0.02 0.00 0.00 177.57 178.22 1cik h ALA 22 N 1.13 0.41 -0.70 1.67 0.00 -1.91 0.16 119.26 120.02 1cik h ALA 22 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cik h ALA 22 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cik h ALA 22 CO -0.02 0.21 0.38 0.78 0.00 0.00 0.00 179.25 180.60 1cik h GLY 23 N 0.34 1.05 1.08 0.00 0.00 -1.92 -1.66 103.07 101.96 1cik h GLY 23 Ca 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1cik h GLY 23 CO 0.02 0.46 -0.01 0.45 0.00 0.00 0.00 176.54 177.46 1cik h HIS 24 N 0.97 1.16 -0.81 5.60 3.86 -1.27 -2.15 115.15 122.49 1cik h HIS 24 Ca 0.25 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1cik h HIS 24 Cb 0.04 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.17 1cik h HIS 24 CO -0.00 1.02 0.44 0.78 0.86 0.00 0.00 177.93 181.04 1cik h GLY 25 N 0.95 1.21 0.79 2.45 0.00 -0.73 -0.89 103.07 106.85 1cik h GLY 25 Ca 0.17 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1cik h GLY 25 CO 0.03 0.53 0.01 -1.61 0.00 0.00 0.00 176.54 175.50 1cik h GLN 26 N 1.13 0.14 -0.73 4.80 4.15 -1.19 -2.23 115.11 121.19 1cik h GLN 26 Ca 0.29 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.70 1cik h GLN 26 Cb 0.03 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 1cik h GLN 26 CO -0.05 0.35 0.45 -0.44 -1.93 0.00 0.00 178.83 177.22 1cik h ASP 27 N -0.09 0.74 -0.26 -0.69 5.19 -1.10 -1.30 116.42 118.91 1cik h ASP 27 Ca 0.03 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 1cik h ASP 27 Cb 0.28 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1cik h ASP 27 CO 0.00 0.50 -0.08 0.40 -3.12 0.00 0.00 179.24 176.95 1cik h ILE 28 N 0.88 1.29 -0.38 0.35 2.04 -1.08 -1.17 117.51 119.44 1cik h ILE 28 Ca 0.30 -1.11 -0.14 0.00 1.00 0.00 0.00 64.86 64.90 1cik h ILE 28 Cb 0.05 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1cik h ILE 28 CO -0.12 0.35 -0.33 -0.07 0.00 0.00 0.00 178.15 177.97 1cik h LEU 29 N 0.26 0.91 -0.60 1.44 3.38 -1.24 -1.14 115.31 118.31 1cik h LEU 29 Ca 0.06 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1cik h LEU 29 Cb 0.56 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1cik h LEU 29 CO 0.03 1.15 0.18 0.40 0.09 0.00 0.00 178.44 180.29 1cik h ILE 30 N 0.72 1.25 -0.65 1.22 2.04 -1.23 0.19 117.51 121.04 1cik h ILE 30 Ca 0.07 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1cik h ILE 30 Cb 0.90 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1cik h ILE 30 CO 0.08 0.32 0.39 -0.09 0.00 0.00 0.00 178.15 178.85 1cik h ARG 31 N 0.86 0.73 0.13 2.37 9.65 -0.99 0.26 114.38 127.40 1cik h ARG 31 Ca 0.19 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1cik h ARG 31 Cb 0.31 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1cik h ARG 31 CO -0.00 0.48 -0.06 1.25 2.80 0.00 0.00 179.97 184.44 1cik h LEU 32 N 0.75 -0.14 -1.07 3.80 5.85 -0.78 -1.25 115.31 122.47 1cik h LEU 32 Ca 0.27 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 1cik h LEU 32 Cb 0.07 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1cik h LEU 32 CO -0.13 -0.10 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.21 1cik h PHE 33 N -0.17 0.15 0.07 1.25 0.04 -0.67 0.65 116.94 118.26 1cik h PHE 33 Ca -0.02 -0.04 -0.25 0.00 2.80 0.00 0.00 57.97 60.46 1cik h PHE 33 Cb 0.13 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.25 1cik h PHE 33 CO -0.07 0.51 -1.09 0.87 -0.60 0.00 0.00 178.31 177.93 1cik h LYS 34 N 0.11 0.38 -0.06 1.51 1.57 -0.86 -3.11 116.57 116.11 1cik h LYS 34 Ca 0.01 -0.50 -0.21 0.00 -1.87 0.00 0.00 60.65 58.09 1cik h LYS 34 Cb 0.76 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1cik h LYS 34 CO 0.06 1.18 -0.82 0.77 -0.57 0.00 0.00 179.45 180.06 1cik h SER 35 N 0.17 0.59 -2.09 0.86 0.02 -1.09 -3.39 113.55 108.62 1cik h SER 35 Ca -0.11 -0.42 -0.56 0.00 -0.84 0.00 0.00 61.79 59.86 1cik h SER 35 Cb 1.77 -0.18 -0.38 0.00 0.14 0.00 0.00 62.40 63.76 1cik h SER 35 CO 0.19 1.19 -1.03 1.41 -1.14 0.00 0.00 176.83 177.45 1cik n HIS 36 N -3.82 -0.76 0.19 3.45 8.25 0.21 -4.99 115.22 117.75 1cik n HIS 36 Ca -0.06 -3.36 0.18 0.00 -0.26 0.00 0.00 57.72 54.22 1cik n HIS 36 Cb 0.76 0.00 0.82 0.00 1.12 0.00 0.00 29.99 32.70 1cik n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1cik h PRO 37 N 4.74 0.00 0.00 -0.41 0.11 -1.73 0.09 132.00 134.79 1cik h PRO 37 Ca 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1cik h PRO 37 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1cik h PRO 37 CO 0.41 0.00 -0.02 1.05 -0.21 0.00 0.00 178.00 179.23 1cik h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.82 114.58 120.98 1cik h GLU 38 Ca 0.10 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.44 1cik h GLU 38 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 1cik h GLU 38 CO -0.00 0.02 -0.31 1.79 0.05 0.00 0.00 179.01 180.55 1cik h THR 39 N 0.00 0.87 -0.58 -1.06 1.35 -1.31 -2.48 112.91 109.70 1cik h THR 39 Ca -0.00 -1.25 0.03 0.00 -0.55 0.00 0.00 66.41 64.65 1cik h THR 39 Cb 0.03 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1cik h THR 39 CO 0.00 0.31 0.38 0.25 -0.25 0.00 0.00 175.52 176.21 1cik h LEU 40 N 0.00 0.57 -2.67 3.87 5.85 -1.48 -1.41 115.31 120.04 1cik h LEU 40 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1cik h LEU 40 Cb 0.73 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1cik h LEU 40 CO 0.04 0.40 0.10 -0.33 -0.34 0.00 0.00 178.44 178.31 1cik h GLU 41 N 0.67 0.00 0.00 1.25 5.08 -1.55 -0.23 114.58 119.79 1cik h GLU 41 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1cik h GLU 41 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1cik h GLU 41 CO -0.06 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.58 1cik n LYS 42 N -3.01 0.05 -3.73 2.33 4.76 -0.53 -4.53 118.16 113.50 1cik n LYS 42 Ca -0.03 0.11 -0.37 0.00 -2.87 0.00 0.00 58.31 55.15 1cik n LYS 42 Cb 0.16 -1.57 -0.11 0.00 -1.84 0.00 0.00 35.03 31.68 1cik n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1cik s PHE 43 N -3.03 3.53 0.35 2.13 0.40 -0.10 -4.91 117.98 116.35 1cik s PHE 43 Ca 0.12 -2.44 0.08 0.00 -0.60 0.00 0.00 56.93 54.09 1cik s PHE 43 Cb 0.16 -3.26 0.79 0.00 0.51 0.00 0.00 43.02 41.22 1cik s PHE 43 CO 0.48 -0.94 1.88 -0.44 0.70 0.00 0.00 175.22 176.90 1cik h ASP 44 N 7.82 0.67 -0.31 1.36 3.32 -1.82 -1.14 116.42 126.31 1cik h ASP 44 Ca -0.11 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.05 1cik h ASP 44 Cb 1.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1cik h ASP 44 CO 0.72 0.36 0.21 -0.09 -1.72 0.00 0.00 179.24 178.72 1cik h ARG 45 N 0.72 0.10 0.00 3.56 2.43 -1.94 -3.29 114.38 115.96 1cik h ARG 45 Ca 0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1cik h ARG 45 Cb 0.63 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1cik h ARG 45 CO -0.19 0.07 0.00 1.19 -1.51 0.00 0.00 179.97 179.53 1cik n PHE 46 N -4.47 0.00 0.29 2.20 3.72 -0.52 -4.78 117.46 113.90 1cik n PHE 46 Ca 0.04 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.63 1cik n PHE 46 Cb 0.31 0.00 1.01 0.00 -0.94 0.00 0.00 39.48 39.86 1cik n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1cik h LYS 47 N 0.00 0.00 0.00 -1.08 3.64 -1.39 -1.58 116.57 116.16 1cik h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cik h LYS 47 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1cik h LYS 47 CO 0.00 0.00 -0.14 1.12 -2.27 0.00 0.00 179.45 178.16 1cik h HIS 48 N 0.00 0.00 -2.84 1.91 2.07 -1.86 -3.46 115.15 110.97 1cik h HIS 48 Ca 0.00 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 1cik h HIS 48 Cb 0.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 1cik h HIS 48 CO 0.00 0.00 0.91 -0.51 -3.07 0.00 0.00 177.93 175.26 1cik s LEU 49 N -4.96 4.29 -0.20 6.12 1.43 -0.60 -4.91 118.68 119.85 1cik s LEU 49 Ca 0.08 2.04 0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1cik s LEU 49 Cb 0.10 -3.55 -0.22 0.00 0.03 0.00 0.00 46.19 42.55 1cik s LEU 49 CO 0.64 -0.78 0.05 0.29 0.23 0.00 0.00 176.35 176.79 1cik n LYS 50 N 6.09 0.68 -4.26 1.70 5.02 -1.26 -5.00 118.16 121.12 1cik n LYS 50 Ca 0.14 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 1cik n LYS 50 Cb 0.44 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 1cik n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1cik s THR 51 N -2.51 0.90 0.31 -0.18 -4.23 -1.26 -5.03 115.64 103.63 1cik s THR 51 Ca -0.18 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.31 1cik s THR 51 Cb 0.07 -2.08 0.22 0.00 1.34 0.00 0.00 72.50 72.05 1cik s THR 51 CO 0.75 -0.53 1.93 -0.08 -0.54 0.00 0.00 174.62 176.15 1cik h GLU 52 N 2.68 0.92 -0.72 3.99 4.81 -1.99 -0.98 114.58 123.28 1cik h GLU 52 Ca -0.37 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1cik h GLU 52 Cb 1.20 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1cik h GLU 52 CO 0.64 0.68 0.44 0.00 -0.73 0.00 0.00 179.01 180.04 1cik h ALA 53 N 1.47 0.92 -0.61 2.92 0.00 -1.99 0.21 119.26 122.18 1cik h ALA 53 Ca 0.24 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1cik h ALA 53 Cb 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1cik h ALA 53 CO -0.04 0.38 0.17 0.93 0.00 0.00 0.00 179.25 180.69 1cik h GLU 54 N 0.98 0.93 -0.42 0.00 5.08 -1.72 -2.28 114.58 117.15 1cik h GLU 54 Ca 0.26 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1cik h GLU 54 Cb -0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1cik h GLU 54 CO -0.05 0.81 0.07 0.52 -1.00 0.00 0.00 179.01 179.36 1cik h MET 55 N 0.90 0.70 0.00 2.33 2.86 -0.48 -2.66 114.93 118.57 1cik h MET 55 Ca 0.20 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1cik h MET 55 Cb 0.29 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1cik h MET 55 CO -0.01 0.73 -0.10 0.87 1.06 0.00 0.00 176.91 179.47 1cik h LYS 56 N 0.55 0.00 -0.01 1.72 1.57 -0.41 -2.22 116.57 117.77 1cik h LYS 56 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1cik h LYS 56 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1cik h LYS 56 CO 0.01 0.10 -0.24 0.00 -0.57 0.00 0.00 179.45 178.75 1cik n ALA 57 N -2.36 3.05 -2.64 3.86 0.00 -0.88 -4.82 120.51 116.73 1cik n ALA 57 Ca -0.02 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 1cik n ALA 57 Cb 0.20 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1cik n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cik s SER 58 N -2.40 6.92 0.26 0.00 0.15 -0.84 -4.87 113.70 112.93 1cik s SER 58 Ca 0.26 1.05 0.01 0.00 0.70 0.00 0.00 55.95 57.96 1cik s SER 58 Cb 0.19 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.33 1cik s SER 58 CO 0.49 -0.82 1.70 -0.08 1.20 0.00 0.00 173.24 175.73 1cik h GLU 59 N 8.01 0.55 -0.49 5.44 4.57 -1.88 -2.64 114.58 128.14 1cik h GLU 59 Ca -0.21 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 1cik h GLU 59 Cb 1.06 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 1cik h GLU 59 CO 1.01 0.76 0.18 0.22 -1.18 0.00 0.00 179.01 179.99 1cik h ASP 60 N 0.48 0.70 -0.58 1.04 3.58 -1.96 -0.75 116.42 118.93 1cik h ASP 60 Ca 0.07 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 1cik h ASP 60 Cb 0.69 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1cik h ASP 60 CO 0.05 0.70 0.08 0.25 -2.88 0.00 0.00 179.24 177.44 1cik h LEU 61 N 0.66 0.93 -0.72 2.28 5.85 -1.87 -1.69 115.31 120.75 1cik h LEU 61 Ca 0.16 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1cik h LEU 61 Cb 0.23 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1cik h LEU 61 CO -0.01 0.96 0.34 0.50 -0.34 0.00 0.00 178.44 179.89 1cik h LYS 62 N 0.86 1.05 -0.66 1.25 3.64 -1.20 -0.68 116.57 120.82 1cik h LYS 62 Ca 0.17 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1cik h LYS 62 Cb 0.44 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1cik h LYS 62 CO 0.01 0.83 0.43 0.87 -2.27 0.00 0.00 179.45 179.32 1cik h LYS 63 N 1.01 0.88 -0.57 1.90 1.57 -0.92 -2.34 116.57 118.10 1cik h LYS 63 Ca 0.25 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1cik h LYS 63 Cb 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1cik h LYS 63 CO -0.03 0.60 0.02 1.25 -0.57 0.00 0.00 179.45 180.71 1cik h HIS 64 N 0.90 1.04 -0.98 -1.35 2.76 -0.85 -2.01 115.15 114.66 1cik h HIS 64 Ca 0.24 -0.16 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 1cik h HIS 64 Cb -0.08 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 28.53 1cik h HIS 64 CO -0.02 0.93 0.62 0.78 -1.30 0.00 0.00 177.93 178.94 1cik h GLY 65 N 1.00 1.53 1.03 5.26 0.00 -0.77 -0.26 103.07 110.85 1cik h GLY 65 Ca 0.17 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1cik h GLY 65 CO 0.02 0.27 0.06 -2.08 0.00 0.00 0.00 176.54 174.81 1cik h VAL 66 N 1.09 1.26 -0.30 4.60 2.07 -0.90 -1.57 116.25 122.49 1cik h VAL 66 Ca 0.44 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1cik h VAL 66 Cb 0.26 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1cik h VAL 66 CO -0.20 0.38 0.15 0.74 0.02 0.00 0.00 177.57 178.66 1cik h THR 67 N 0.86 1.15 0.31 2.57 2.02 -0.62 -0.96 112.91 118.23 1cik h THR 67 Ca 0.17 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1cik h THR 67 Cb 0.46 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1cik h THR 67 CO 0.02 0.15 -0.22 0.58 0.37 0.00 0.00 175.52 176.42 1cik h VAL 68 N 0.36 0.54 -0.09 3.16 2.07 -0.94 -2.06 116.25 119.28 1cik h VAL 68 Ca 0.11 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 1cik h VAL 68 Cb 0.10 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1cik h VAL 68 CO -0.01 0.00 -0.47 -0.07 0.02 0.00 0.00 177.57 177.03 1cik h LEU 69 N -0.52 0.25 -0.50 2.57 3.38 -1.21 -1.91 115.31 117.36 1cik h LEU 69 Ca -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1cik h LEU 69 Cb 0.45 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1cik h LEU 69 CO 0.01 0.68 0.17 0.74 0.09 0.00 0.00 178.44 180.13 1cik h THR 70 N 0.19 1.22 -0.57 0.22 2.02 -1.12 0.23 112.91 115.10 1cik h THR 70 Ca 0.01 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1cik h THR 70 Cb 0.90 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1cik h THR 70 CO 0.07 0.27 0.17 0.00 0.37 0.00 0.00 175.52 176.40 1cik h ALA 71 N 1.03 0.75 -0.28 6.16 0.00 -1.08 -2.17 119.26 123.67 1cik h ALA 71 Ca 0.16 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1cik h ALA 71 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1cik h ALA 71 CO -0.01 0.42 -0.20 1.25 0.00 0.00 0.00 179.25 180.71 1cik h LEU 72 N 0.80 0.67 -1.02 0.00 5.85 -1.20 -2.75 115.31 117.67 1cik h LEU 72 Ca 0.18 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1cik h LEU 72 Cb 0.30 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1cik h LEU 72 CO -0.00 0.97 0.65 1.23 -0.34 0.00 0.00 178.44 180.94 1cik h GLY 73 N 0.38 1.53 1.42 3.75 0.00 -0.49 0.11 103.07 109.77 1cik h GLY 73 Ca 0.06 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1cik h GLY 73 CO 0.05 0.33 -0.11 0.00 0.00 0.00 0.00 176.54 176.82 1cik h ALA 74 N 1.46 1.08 -0.08 3.60 0.00 -1.20 -1.84 119.26 122.28 1cik h ALA 74 Ca 0.44 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1cik h ALA 74 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cik h ALA 74 CO -0.18 0.57 -0.13 0.82 0.00 0.00 0.00 179.25 180.33 1cik h ILE 75 N 0.63 1.39 -0.37 0.00 2.04 -1.10 -3.16 117.51 116.94 1cik h ILE 75 Ca 0.11 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 1cik h ILE 75 Cb 0.55 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1cik h ILE 75 CO 0.03 0.39 0.05 -0.07 0.00 0.00 0.00 178.15 178.55 1cik h LEU 76 N -0.22 0.52 -0.71 1.44 3.38 -0.58 -2.38 115.31 116.77 1cik h LEU 76 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1cik h LEU 76 Cb 0.69 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1cik h LEU 76 CO 0.03 0.56 0.00 0.29 0.09 0.00 0.00 178.44 179.41 1cik n LYS 77 N -4.30 0.19 0.05 1.13 5.02 -0.71 -1.37 118.16 118.18 1cik n LYS 77 Ca 0.02 0.42 0.12 0.00 -2.02 0.00 0.00 58.31 56.85 1cik n LYS 77 Cb 0.22 -1.87 0.47 0.00 -0.02 0.00 0.00 35.03 33.82 1cik n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cik n LYS 78 N -2.24 0.10 -3.88 1.97 4.76 -0.89 -4.94 118.16 113.04 1cik n LYS 78 Ca 0.02 0.20 -0.26 0.00 -2.87 0.00 0.00 58.31 55.40 1cik n LYS 78 Cb 0.23 -1.65 0.01 0.00 -1.84 0.00 0.00 35.03 31.78 1cik n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cik n LYS 79 N -1.83 -4.42 0.00 1.97 5.02 -0.47 -1.88 118.16 116.56 1cik n LYS 79 Ca 0.05 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1cik n LYS 79 Cb 0.30 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 1cik n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cik n GLY 80 N -1.71 3.10 2.61 0.72 0.00 -1.26 -4.98 105.19 103.68 1cik n GLY 80 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1cik n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cik n HIS 81 N -2.00 2.65 -0.48 1.61 8.25 -0.79 -4.70 115.22 119.77 1cik n HIS 81 Ca 0.00 -2.72 0.05 0.00 -0.26 0.00 0.00 57.72 54.79 1cik n HIS 81 Cb 0.00 -1.60 0.09 0.00 1.12 0.00 0.00 29.99 29.59 1cik n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1cik n HIS 82 N 1.37 0.12 -0.19 4.41 1.44 -1.26 -4.78 115.22 116.33 1cik n HIS 82 Ca 0.52 -0.71 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 1cik n HIS 82 Cb 0.27 -0.11 0.09 0.00 0.12 0.00 0.00 29.99 30.36 1cik n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1cik h GLU 83 N 0.35 0.10 -0.55 -1.40 3.07 -1.99 -1.06 114.58 113.09 1cik h GLU 83 Ca 0.00 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 1cik h GLU 83 Cb 0.78 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 1cik h GLU 83 CO 0.02 0.07 -0.02 0.00 -1.40 0.00 0.00 179.01 177.67 1cik h ALA 84 N 1.54 0.92 -0.07 3.43 0.00 -2.01 -2.77 119.26 120.30 1cik h ALA 84 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1cik h ALA 84 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1cik h ALA 84 CO -0.51 0.64 -0.29 0.93 0.00 0.00 0.00 179.25 180.01 1cik h GLU 85 N 0.88 0.12 0.00 0.00 3.07 -1.76 -3.18 114.58 113.71 1cik h GLU 85 Ca 0.16 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 1cik h GLU 85 Cb 0.55 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1cik h GLU 85 CO 0.03 0.41 -0.57 1.25 -1.40 0.00 0.00 179.01 178.73 1cik h LEU 86 N 0.11 0.00 -0.01 1.33 5.85 -0.95 -3.35 115.31 118.29 1cik h LEU 86 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1cik h LEU 86 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1cik h LEU 86 CO 0.04 0.57 0.01 0.11 -0.34 0.00 0.00 178.44 178.82 1cik h LYS 87 N 0.00 0.02 -0.04 1.25 1.57 -1.48 0.06 116.57 117.95 1cik h LYS 87 Ca -0.01 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1cik h LYS 87 Cb 1.34 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1cik h LYS 87 CO 0.07 0.18 -0.47 -1.00 -0.57 0.00 0.00 179.45 177.66 1cik h PRO 88 N -0.14 0.09 -0.39 3.15 0.13 -1.77 -1.72 132.00 131.35 1cik h PRO 88 Ca 0.00 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 1cik h PRO 88 Cb 0.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1cik h PRO 88 CO -0.00 0.55 -0.06 1.25 -0.23 0.00 0.00 178.00 179.51 1cik h LEU 89 N 0.08 0.73 -0.70 1.56 5.85 -1.63 -1.36 115.31 119.83 1cik h LEU 89 Ca 0.00 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1cik h LEU 89 Cb 0.86 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1cik h LEU 89 CO 0.07 0.90 0.27 0.00 -0.34 0.00 0.00 178.44 179.33 1cik h ALA 90 N 0.85 0.92 -0.26 1.25 0.00 -0.88 -2.14 119.26 119.00 1cik h ALA 90 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1cik h ALA 90 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cik h ALA 90 CO 0.03 0.55 0.07 0.37 0.00 0.00 0.00 179.25 180.27 1cik h GLN 91 N 1.01 0.42 -0.44 0.00 4.15 -1.10 -0.30 115.11 118.85 1cik h GLN 91 Ca 0.23 -0.10 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 1cik h GLN 91 Cb 0.23 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1cik h GLN 91 CO -0.02 0.51 -0.20 0.66 -1.93 0.00 0.00 178.83 177.86 1cik h SER 92 N 0.26 0.89 1.15 -0.69 4.64 -1.17 -1.57 113.55 117.05 1cik h SER 92 Ca 0.08 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1cik h SER 92 Cb 0.28 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1cik h SER 92 CO 0.00 1.06 -0.44 0.45 -0.87 0.00 0.00 176.83 177.03 1cik h HIS 93 N 0.76 0.00 0.24 4.77 3.86 -1.28 -0.01 115.15 123.49 1cik h HIS 93 Ca 0.11 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.97 1cik h HIS 93 Cb 0.73 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.23 1cik h HIS 93 CO 0.04 0.44 -1.57 0.00 0.86 0.00 0.00 177.93 177.71 1cik h ALA 94 N 1.56 -0.07 0.00 2.45 0.00 -0.96 -0.83 119.26 121.40 1cik h ALA 94 Ca -0.00 -0.94 -0.38 0.00 0.00 0.00 0.00 54.91 53.59 1cik h ALA 94 Cb 1.14 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1cik h ALA 94 CO 0.06 0.79 -2.42 2.41 0.00 0.00 0.00 179.25 180.09 1cik n THR 95 N -3.68 1.43 -0.11 0.00 -1.04 -0.60 -4.21 114.28 106.07 1cik n THR 95 Ca -0.19 -0.66 -0.18 0.00 -2.04 0.00 0.00 64.05 60.97 1cik n THR 95 Cb 1.10 -1.06 -0.06 0.00 -1.82 0.00 0.00 70.33 68.49 1cik n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1cik n LYS 96 N -3.06 0.56 0.15 -2.82 4.81 -0.28 -4.69 118.16 112.83 1cik n LYS 96 Ca -0.40 0.23 0.07 0.00 -0.87 0.00 0.00 58.31 57.34 1cik n LYS 96 Cb 1.04 -1.46 0.06 0.00 0.02 0.00 0.00 35.03 34.69 1cik n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1cik h HIS 97 N -1.00 0.00 -5.98 5.64 3.86 -1.23 -3.49 115.15 112.96 1cik h HIS 97 Ca -0.30 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.56 1cik h HIS 97 Cb 1.26 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.84 1cik h HIS 97 CO -0.29 0.26 -0.86 1.63 0.86 0.00 0.00 177.93 179.53 1cik n LYS 98 N -3.05 -1.51 -3.22 2.45 4.01 -0.45 -4.96 118.16 111.44 1cik n LYS 98 Ca 0.01 0.65 -0.44 0.00 -0.51 0.00 0.00 58.31 58.02 1cik n LYS 98 Cb 0.65 -4.62 -0.07 0.00 -0.51 0.00 0.00 35.03 30.48 1cik n LYS 98 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cik s ALA 99 N -3.39 3.42 0.65 7.82 0.00 -0.45 -5.03 121.76 124.77 1cik s ALA 99 Ca 0.42 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 1cik s ALA 99 Cb -0.12 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1cik s ALA 99 CO 0.82 -1.89 1.08 -1.25 0.00 0.00 0.00 175.76 174.52 1cik s PRO 100 N 2.39 2.96 0.29 0.00 0.04 -1.26 -4.84 135.00 134.58 1cik s PRO 100 Ca 0.13 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.46 1cik s PRO 100 Cb -0.20 -1.98 0.66 0.00 0.04 0.00 0.00 34.50 33.02 1cik s PRO 100 CO 0.11 -1.10 1.78 0.82 0.04 0.00 0.00 177.00 178.65 1cik h ILE 101 N 0.02 0.74 -0.84 0.56 1.08 -1.99 -0.47 117.51 116.60 1cik h ILE 101 Ca -0.46 -0.26 0.12 0.00 -0.39 0.00 0.00 64.86 63.87 1cik h ILE 101 Cb 1.23 -0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 1cik h ILE 101 CO 0.55 0.14 0.55 0.50 -0.69 0.00 0.00 178.15 179.20 1cik h LYS 102 N 0.76 0.69 0.00 2.37 1.63 -2.00 -0.46 116.57 119.56 1cik h LYS 102 Ca 0.54 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.21 1cik h LYS 102 Cb 0.78 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1cik h LYS 102 CO -0.36 0.45 -0.42 1.88 -3.45 0.00 0.00 179.45 177.55 1cik h TYR 103 N 0.71 0.00 0.00 1.91 -1.99 -1.44 -1.66 116.97 114.49 1cik h TYR 103 Ca 0.41 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.02 1cik h TYR 103 Cb 0.59 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 1cik h TYR 103 CO -0.00 0.42 -0.54 -0.07 -0.00 0.00 0.00 178.16 177.96 1cik h LEU 104 N 0.00 0.00 -0.17 3.88 3.38 -0.88 -1.46 115.31 120.06 1cik h LEU 104 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1cik h LEU 104 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1cik h LEU 104 CO 0.05 0.54 0.05 -0.33 0.09 0.00 0.00 178.44 178.84 1cik h GLU 105 N 0.00 0.27 -0.99 1.13 5.08 -0.80 -1.89 114.58 117.39 1cik h GLU 105 Ca -0.01 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1cik h GLU 105 Cb 1.00 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 1cik h GLU 105 CO 0.07 0.40 0.65 0.74 -1.00 0.00 0.00 179.01 179.87 1cik h PHE 106 N 0.09 1.23 0.00 4.33 0.04 -1.04 -1.30 116.94 120.29 1cik h PHE 106 Ca 0.05 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 1cik h PHE 106 Cb 0.25 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 1cik h PHE 106 CO 0.01 0.75 -0.58 0.97 -0.60 0.00 0.00 178.31 178.86 1cik h ILE 107 N 1.31 1.33 -0.30 -0.55 2.10 -1.18 -2.20 117.51 118.02 1cik h ILE 107 Ca 0.37 -2.05 0.02 0.00 1.08 0.00 0.00 64.86 64.28 1cik h ILE 107 Cb -0.10 2.13 -0.02 0.00 -1.09 0.00 0.00 36.82 37.74 1cik h ILE 107 CO -0.09 0.57 0.16 0.28 -1.08 0.00 0.00 178.15 177.98 1cik h SER 108 N 0.00 0.24 -0.94 2.19 0.02 -0.66 -0.30 113.55 114.10 1cik h SER 108 Ca -0.01 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1cik h SER 108 Cb 1.08 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 1cik h SER 108 CO 0.08 0.18 0.62 -0.08 -1.14 0.00 0.00 176.83 176.48 1cik h GLU 109 N 0.33 1.18 -0.62 3.45 4.81 -1.02 -1.97 114.58 120.74 1cik h GLU 109 Ca 0.12 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1cik h GLU 109 Cb 0.02 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 1cik h GLU 109 CO -0.07 0.78 0.10 0.00 -0.73 0.00 0.00 179.01 179.08 1cik h ALA 110 N 1.37 1.00 -0.36 2.92 0.00 -0.82 -0.81 119.26 122.57 1cik h ALA 110 Ca 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1cik h ALA 110 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1cik h ALA 110 CO -0.11 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.66 1cik h ILE 111 N 0.95 1.23 -0.54 0.00 2.04 -0.69 -2.21 117.51 118.29 1cik h ILE 111 Ca 0.19 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1cik h ILE 111 Cb 0.42 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1cik h ILE 111 CO 0.01 0.28 0.27 0.40 0.00 0.00 0.00 178.15 179.11 1cik h ILE 112 N 0.43 1.20 -0.37 -0.67 2.04 -1.19 -1.22 117.51 117.72 1cik h ILE 112 Ca 0.11 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1cik h ILE 112 Cb 0.34 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1cik h ILE 112 CO 0.01 0.22 0.13 -0.74 0.00 0.00 0.00 178.15 177.76 1cik h HIS 113 N 0.72 0.23 -0.42 1.37 2.76 -1.03 -1.08 115.15 117.71 1cik h HIS 113 Ca 0.19 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.26 1cik h HIS 113 Cb 0.10 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1cik h HIS 113 CO -0.01 0.09 -0.21 0.28 -1.30 0.00 0.00 177.93 176.79 1cik h VAL 114 N 0.28 1.28 -0.62 5.26 2.07 -1.26 -0.73 116.25 122.53 1cik h VAL 114 Ca 0.17 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1cik h VAL 114 Cb 0.14 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1cik h VAL 114 CO -0.17 0.46 0.11 -0.07 0.02 0.00 0.00 177.57 177.91 1cik h LEU 115 N 0.70 0.96 -0.62 2.57 -0.00 -1.04 -0.67 115.31 117.20 1cik h LEU 115 Ca 0.09 -0.21 -0.03 0.00 -0.00 0.00 0.00 57.88 57.73 1cik h LEU 115 Cb 0.77 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 1cik h LEU 115 CO 0.06 0.95 0.26 -0.74 -0.00 0.00 0.00 178.44 178.97 1cik h HIS 116 N 0.95 0.94 -0.54 1.13 2.76 -1.06 0.20 115.15 119.53 1cik h HIS 116 Ca 0.19 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 1cik h HIS 116 Cb 0.40 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1cik h HIS 116 CO 0.03 0.74 -0.01 0.77 -1.30 0.00 0.00 177.93 178.15 1cik h SER 117 N 0.86 0.94 0.62 3.26 0.02 -0.65 -3.30 113.55 115.30 1cik h SER 117 Ca 0.21 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 1cik h SER 117 Cb 0.19 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1cik h SER 117 CO -0.02 1.02 -1.49 0.54 -1.14 0.00 0.00 176.83 175.75 1cik n ARG 118 N -4.26 0.63 -2.66 3.45 1.74 -0.30 -4.59 116.66 110.67 1cik n ARG 118 Ca 0.02 0.13 -0.18 0.00 -0.77 0.00 0.00 57.85 57.05 1cik n ARG 118 Cb 0.34 -1.75 0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1cik n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1cik n HIS 119 N -2.76 2.12 -0.09 -1.55 8.25 0.05 -4.94 115.22 116.30 1cik n HIS 119 Ca -0.09 -3.08 0.11 0.00 -0.26 0.00 0.00 57.72 54.39 1cik n HIS 119 Cb 0.78 -0.28 0.48 0.00 1.12 0.00 0.00 29.99 32.09 1cik n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cik h PRO 120 N 2.84 0.45 0.00 -0.41 0.13 -1.74 -0.04 132.00 133.23 1cik h PRO 120 Ca 0.08 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 1cik h PRO 120 Cb 1.02 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1cik h PRO 120 CO 0.65 0.30 -0.34 0.78 -0.23 0.00 0.00 178.00 179.16 1cik h GLY 121 N 0.46 0.00 -0.64 1.56 0.00 -1.92 -3.06 103.07 99.48 1cik h GLY 121 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1cik h GLY 121 CO -0.08 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.16 1cik n ASN 122 N -3.52 2.56 -2.87 0.19 3.02 -0.53 -4.67 115.26 109.44 1cik n ASN 122 Ca -0.00 -2.19 -0.15 0.00 -0.03 0.00 0.00 54.58 52.22 1cik n ASN 122 Cb 0.49 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1cik n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1cik n PHE 123 N -0.19 1.11 -0.84 3.10 7.35 -0.14 -4.69 117.46 123.16 1cik n PHE 123 Ca 0.08 -3.28 -0.17 0.00 -0.76 0.00 0.00 57.45 53.32 1cik n PHE 123 Cb 0.41 -0.38 0.14 0.00 0.35 0.00 0.00 39.48 40.00 1cik n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cik n GLY 124 N 0.03 -2.58 0.21 7.13 0.00 -1.25 -4.64 105.19 104.09 1cik n GLY 124 Ca 0.19 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 1cik n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cik h ALA 125 N -2.40 0.64 -0.53 4.61 0.00 -1.98 0.16 119.26 119.77 1cik h ALA 125 Ca -0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1cik h ALA 125 Cb 0.71 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1cik h ALA 125 CO 0.15 0.02 -0.02 -0.44 0.00 0.00 0.00 179.25 178.96 1cik h ASP 126 N 0.61 0.89 -0.11 0.00 3.32 -1.99 -1.05 116.42 118.09 1cik h ASP 126 Ca 0.20 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 1cik h ASP 126 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1cik h ASP 126 CO -0.08 0.96 -0.37 0.00 -1.72 0.00 0.00 179.24 178.03 1cik h ALA 127 N 1.13 0.84 -0.50 3.45 0.00 -1.80 -1.87 119.26 120.52 1cik h ALA 127 Ca 0.15 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1cik h ALA 127 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1cik h ALA 127 CO 0.03 0.64 -0.08 0.37 0.00 0.00 0.00 179.25 180.21 1cik h GLN 128 N 0.52 0.90 -0.73 0.00 4.15 -0.80 -0.78 115.11 118.37 1cik h GLN 128 Ca 0.05 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1cik h GLN 128 Cb 0.88 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 1cik h GLN 128 CO 0.08 0.95 0.28 0.78 -1.93 0.00 0.00 178.83 178.99 1cik h GLY 129 N 0.97 1.17 0.95 2.39 0.00 -1.04 0.04 103.07 107.55 1cik h GLY 129 Ca 0.14 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 1cik h GLY 129 CO 0.04 0.61 -0.05 0.00 0.00 0.00 0.00 176.54 177.13 1cik h ALA 130 N 1.14 0.51 -0.74 3.60 0.00 -1.07 -1.56 119.26 121.13 1cik h ALA 130 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1cik h ALA 130 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1cik h ALA 130 CO -0.02 0.34 0.42 1.98 0.00 0.00 0.00 179.25 181.97 1cik h MET 131 N 0.50 1.02 -0.64 0.00 -1.53 -0.98 -0.98 114.93 112.32 1cik h MET 131 Ca 0.10 -0.11 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1cik h MET 131 Cb 0.55 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 31.36 1cik h MET 131 CO 0.03 0.75 0.42 -0.97 0.14 0.00 0.00 176.91 177.28 1cik h ASN 132 N 1.02 0.71 -0.62 1.39 -1.24 -0.85 -1.14 115.58 114.85 1cik h ASN 132 Ca 0.26 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 1cik h ASN 132 Cb 0.01 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 1cik h ASN 132 CO -0.04 0.51 0.29 0.50 -1.29 0.00 0.00 177.43 177.39 1cik h LYS 133 N 0.85 0.90 -0.81 6.67 3.64 -1.02 0.24 116.57 127.03 1cik h LYS 133 Ca 0.24 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1cik h LYS 133 Cb -0.07 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 1cik h LYS 133 CO -0.06 0.73 0.53 0.00 -2.27 0.00 0.00 179.45 178.38 1cik h ALA 134 N 1.12 1.03 -0.08 5.00 0.00 -0.82 0.55 119.26 126.06 1cik h ALA 134 Ca 0.21 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1cik h ALA 134 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1cik h ALA 134 CO -0.02 0.45 -0.70 -0.07 0.00 0.00 0.00 179.25 178.90 1cik h LEU 135 N 1.10 0.45 -0.73 0.00 3.38 -0.92 -1.69 115.31 116.91 1cik h LEU 135 Ca 0.30 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1cik h LEU 135 Cb -0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1cik h LEU 135 CO -0.06 1.01 0.19 -0.33 0.09 0.00 0.00 178.44 179.34 1cik h GLU 136 N 0.26 1.15 -0.04 1.13 5.08 -0.13 -0.62 114.58 121.42 1cik h GLU 136 Ca -0.02 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1cik h GLU 136 Cb 1.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1cik h GLU 136 CO 0.12 1.00 -0.01 1.25 -1.00 0.00 0.00 179.01 180.37 1cik h LEU 137 N 1.10 -0.04 -0.30 1.33 5.85 -0.74 -0.05 115.31 122.45 1cik h LEU 137 Ca 0.23 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.03 1cik h LEU 137 Cb 0.36 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1cik h LEU 137 CO -0.00 -0.02 -0.32 0.15 -0.34 0.00 0.00 178.44 177.91 1cik h PHE 138 N -0.01 -0.90 -0.77 1.25 3.57 -1.17 -1.27 116.94 117.65 1cik h PHE 138 Ca 0.02 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1cik h PHE 138 Cb 0.03 0.44 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1cik h PHE 138 CO -0.11 -0.39 0.38 0.00 -2.23 0.00 0.00 178.31 175.96 1cik h ARG 139 N -0.30 1.10 -0.45 1.11 3.08 -0.89 -0.42 114.38 117.60 1cik h ARG 139 Ca 0.14 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1cik h ARG 139 Cb 0.54 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1cik h ARG 139 CO -0.47 0.84 0.16 -0.22 -1.07 0.00 0.00 179.97 179.21 1cik h LYS 140 N 1.09 0.70 -0.18 0.04 3.64 -0.67 0.36 116.57 121.55 1cik h LYS 140 Ca 0.27 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 59.33 1cik h LYS 140 Cb 0.09 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1cik h LYS 140 CO -0.04 0.65 -0.61 -0.44 -2.27 0.00 0.00 179.45 176.74 1cik h ASP 141 N 0.59 0.70 -0.23 4.20 3.32 -1.05 -2.15 116.42 121.81 1cik h ASP 141 Ca 0.15 -0.40 -0.14 0.00 0.02 0.00 0.00 57.03 56.66 1cik h ASP 141 Cb 0.23 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1cik h ASP 141 CO -0.01 1.14 -0.35 0.40 -1.72 0.00 0.00 179.24 178.70 1cik h ILE 142 N 0.46 1.28 -0.92 0.35 1.08 -0.95 -2.34 117.51 116.47 1cik h ILE 142 Ca -0.01 -1.51 -0.00 0.00 -0.39 0.00 0.00 64.86 62.95 1cik h ILE 142 Cb 1.19 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 1cik h ILE 142 CO 0.12 0.49 0.57 0.00 -0.69 0.00 0.00 178.15 178.64 1cik h ALA 143 N 0.97 1.27 -0.61 1.87 0.00 -0.71 -0.48 119.26 121.58 1cik h ALA 143 Ca 0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1cik h ALA 143 Cb 0.89 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cik h ALA 143 CO 0.08 0.64 0.05 0.00 0.00 0.00 0.00 179.25 180.02 1cik h ALA 144 N 1.36 0.94 -0.27 0.00 0.00 -1.26 -2.10 119.26 117.93 1cik h ALA 144 Ca 0.33 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1cik h ALA 144 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1cik h ALA 144 CO -0.06 0.65 -0.47 0.87 0.00 0.00 0.00 179.25 180.24 1cik h LYS 145 N 0.95 0.72 -0.61 0.00 1.79 -0.88 -2.37 116.57 116.16 1cik h LYS 145 Ca 0.18 -0.41 0.12 0.00 -2.18 0.00 0.00 60.65 58.36 1cik h LYS 145 Cb 0.48 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.07 1cik h LYS 145 CO 0.02 1.03 0.14 1.88 -1.08 0.00 0.00 179.45 181.43 1cik h TYR 146 N 0.57 0.21 -0.48 -1.35 -1.99 -0.83 -0.34 116.97 112.76 1cik h TYR 146 Ca 0.03 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1cik h TYR 146 Cb 1.02 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 1cik h TYR 146 CO 0.05 -0.03 0.27 -0.22 -0.00 0.00 0.00 178.16 178.23 1cik h LYS 147 N 0.27 0.67 0.00 4.88 3.64 -1.21 -1.09 116.57 123.72 1cik h LYS 147 Ca 0.32 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1cik h LYS 147 Cb 0.48 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1cik h LYS 147 CO -0.41 0.52 -0.29 0.93 -2.27 0.00 0.00 179.45 177.94 1cik h GLU 148 N 0.64 0.00 -0.00 1.90 5.08 -0.78 -2.73 114.58 118.68 1cik h GLU 148 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1cik h GLU 148 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1cik h GLU 148 CO -0.03 0.29 -0.37 1.28 -1.00 0.00 0.00 179.01 179.18 1cik n LEU 149 N -4.02 0.49 0.00 1.33 4.77 -0.23 -4.95 117.00 114.39 1cik n LEU 149 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1cik n LEU 149 Cb 0.35 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1cik n LEU 149 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1cik n GLY 150 N 1.47 0.94 3.43 -0.72 0.00 -0.53 -5.05 105.19 104.73 1cik n GLY 150 Ca 0.07 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1cik n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cik s TYR 151 N -2.00 2.91 0.00 1.61 5.04 -0.55 -5.02 117.35 119.34 1cik s TYR 151 Ca 0.00 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.13 1cik s TYR 151 Cb 0.00 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1cik s TYR 151 CO 0.00 -0.15 0.00 0.00 -1.34 0.00 0.00 175.55 174.06 1cik n GLN 152 N 3.58 0.00 0.00 4.97 10.64 -1.26 -3.59 117.38 131.72 1cik n GLN 152 Ca -0.18 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.05 1cik n GLN 152 Cb 0.53 0.00 0.37 0.00 -0.86 0.00 0.00 30.24 30.28 1cik n GLN 152 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64