#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g18 s GLU -1 N 0.00 2.74 0.33 -0.52 0.41 -1.26 -5.03 118.70 115.38 2g18 s GLU -1 Ca 0.00 -0.65 -0.29 0.00 -0.41 0.00 0.00 54.97 53.62 2g18 s GLU -1 Cb 0.00 -2.51 -0.11 0.00 -1.78 0.00 0.00 34.13 29.74 2g18 s GLU -1 CO 0.00 -0.55 1.47 -0.06 -0.49 0.00 0.00 175.26 175.63 2g18 s PHE 0 N -2.69 2.76 0.66 1.61 0.40 -1.26 -4.88 117.98 114.57 2g18 s PHE 0 Ca 0.54 1.11 0.29 0.00 -0.60 0.00 0.00 56.93 58.27 2g18 s PHE 0 Cb -0.10 -3.95 1.57 0.00 0.51 0.00 0.00 43.02 41.05 2g18 s PHE 0 CO 0.38 -2.89 1.88 0.97 0.70 0.00 0.00 175.22 176.27 2g18 h ILE 1 N 3.14 0.00 0.00 0.64 6.09 -2.05 -1.91 117.51 123.42 2g18 h ILE 1 Ca -0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 2g18 h ILE 1 Cb 1.23 0.64 0.00 0.00 0.47 0.00 0.00 36.82 39.16 2g18 h ILE 1 CO 0.69 0.00 -0.73 -1.54 -3.07 0.00 0.00 178.15 173.51 2g18 n SER 2 N -2.86 0.64 -4.96 2.19 3.41 -1.26 -4.87 113.62 105.90 2g18 n SER 2 Ca -0.02 -0.39 -0.22 0.00 -0.26 0.00 0.00 58.87 57.98 2g18 n SER 2 Cb 0.40 0.52 0.02 0.00 -0.26 0.00 0.00 64.21 64.89 2g18 n SER 2 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2g18 s LEU 3 N -3.25 3.53 -0.09 1.04 1.43 -0.72 -5.11 118.68 115.51 2g18 s LEU 3 Ca 0.09 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 2g18 s LEU 3 Cb 0.16 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 2g18 s LEU 3 CO 0.76 -0.85 -0.20 -0.89 0.23 0.00 0.00 176.35 175.41 2g18 s THR 4 N -2.62 2.50 -0.18 5.49 2.01 -1.26 -4.98 115.64 116.60 2g18 s THR 4 Ca 0.51 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 2g18 s THR 4 Cb -0.10 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 2g18 s THR 4 CO 0.38 0.56 0.30 -0.44 -0.69 0.00 0.00 174.62 174.73 2g18 s SER 5 N 0.04 6.40 0.14 3.53 0.01 -1.26 -5.09 113.70 117.48 2g18 s SER 5 Ca -0.08 0.47 0.04 0.00 1.31 0.00 0.00 55.95 57.69 2g18 s SER 5 Cb -0.15 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2g18 s SER 5 CO 0.05 0.06 -0.10 0.27 0.41 0.00 0.00 173.24 173.93 2g18 s ILE 6 N 0.72 1.14 0.12 1.44 -4.36 -1.26 -5.10 121.20 113.90 2g18 s ILE 6 Ca 0.16 -2.03 -0.35 0.00 -0.26 0.00 0.00 60.65 58.17 2g18 s ILE 6 Cb -0.13 -1.82 -0.17 0.00 1.25 0.00 0.00 42.46 41.59 2g18 s ILE 6 CO 0.05 -0.74 1.20 -2.65 0.24 0.00 0.00 174.94 173.03 2g18 n PRO 7 N -0.15 0.97 -1.54 0.37 -0.02 -1.26 -4.90 135.00 128.48 2g18 n PRO 7 Ca -0.11 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 2g18 n PRO 7 Cb 0.60 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2g18 n PRO 7 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2g18 n SER 8 N 2.15 0.40 0.16 2.55 2.88 -1.26 -4.85 113.62 115.65 2g18 n SER 8 Ca 0.17 1.02 0.19 0.00 -1.33 0.00 0.00 58.87 58.92 2g18 n SER 8 Cb 0.20 -1.24 0.79 0.00 -0.75 0.00 0.00 64.21 63.22 2g18 n SER 8 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2g18 h LEU 9 N 1.32 0.00 -2.23 2.46 5.85 -1.98 -2.54 115.31 118.20 2g18 h LEU 9 Ca -0.41 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2g18 h LEU 9 Cb 1.36 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 2g18 h LEU 9 CO 0.56 0.00 -0.03 0.08 -0.34 0.00 0.00 178.44 178.71 2g18 h ARG 10 N 0.00 0.00 0.00 1.25 0.11 -1.96 -0.89 114.38 112.88 2g18 h ARG 10 Ca 0.13 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.16 2g18 h ARG 10 Cb 0.78 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 2g18 h ARG 10 CO -0.00 0.03 -0.26 0.93 0.10 0.00 0.00 179.97 180.77 2g18 h GLU 11 N 0.00 0.00 -0.04 0.08 4.39 -1.82 -2.75 114.58 114.44 2g18 h GLU 11 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2g18 h GLU 11 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2g18 h GLU 11 CO 0.00 0.26 0.00 1.04 -1.16 0.00 0.00 179.01 179.15 2g18 n GLN 12 N -3.78 1.86 -3.30 2.33 6.02 -0.35 -4.98 117.38 115.18 2g18 n GLN 12 Ca -0.01 -1.26 -0.19 0.00 -0.01 0.00 0.00 57.00 55.53 2g18 n GLN 12 Cb 0.35 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2g18 n GLN 12 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2g18 s GLN 13 N -1.97 3.02 0.16 -1.09 -0.21 -1.04 -5.05 119.66 113.49 2g18 s GLN 13 Ca 0.35 -1.06 -0.33 0.00 0.02 0.00 0.00 55.36 54.34 2g18 s GLN 13 Cb 0.21 -2.79 -0.16 0.00 1.00 0.00 0.00 33.01 31.27 2g18 s GLN 13 CO 0.32 -0.06 1.12 1.58 -2.12 0.00 0.00 175.29 176.13 2g18 n HIS 14 N -1.73 1.14 -0.19 0.91 -0.00 -1.26 -4.71 115.22 109.38 2g18 n HIS 14 Ca 0.02 0.73 0.15 0.00 -0.00 0.00 0.00 57.72 58.62 2g18 n HIS 14 Cb 0.58 -2.25 0.49 0.00 -0.00 0.00 0.00 29.99 28.81 2g18 n HIS 14 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2g18 h PRO 15 N 3.19 0.45 -0.26 1.57 0.11 -1.96 -0.23 132.00 134.87 2g18 h PRO 15 Ca -0.43 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 2g18 h PRO 15 Cb 1.36 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2g18 h PRO 15 CO 0.69 0.29 -0.25 1.25 -0.21 0.00 0.00 178.00 179.77 2g18 h LEU 16 N 0.46 0.51 -0.20 2.35 5.85 -1.99 -0.13 115.31 122.16 2g18 h LEU 16 Ca 0.39 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2g18 h LEU 16 Cb 0.87 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2g18 h LEU 16 CO -0.14 0.76 -0.01 0.40 -0.34 0.00 0.00 178.44 179.11 2g18 h ILE 17 N 0.45 1.26 -0.43 4.05 2.04 -1.41 0.46 117.51 123.93 2g18 h ILE 17 Ca 0.07 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.11 2g18 h ILE 17 Cb 0.68 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 2g18 h ILE 17 CO 0.05 0.27 0.07 -0.09 0.00 0.00 0.00 178.15 178.45 2g18 h ARG 18 N 0.10 0.19 -0.44 2.37 2.43 -1.15 0.98 114.38 118.86 2g18 h ARG 18 Ca 0.06 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2g18 h ARG 18 Cb 0.40 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2g18 h ARG 18 CO 0.01 0.12 -0.01 1.96 -1.51 0.00 0.00 179.97 180.54 2g18 h GLN 19 N 0.19 0.79 -0.49 0.20 4.20 -0.88 -1.64 115.11 117.49 2g18 h GLN 19 Ca 0.21 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2g18 h GLN 19 Cb 0.27 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2g18 h GLN 19 CO -0.29 0.86 -0.12 1.25 -0.67 0.00 0.00 178.83 179.86 2g18 h LEU 20 N 0.63 0.95 0.07 1.46 5.85 -0.49 -0.39 115.31 123.40 2g18 h LEU 20 Ca 0.12 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2g18 h LEU 20 Cb 0.51 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2g18 h LEU 20 CO 0.03 1.09 -0.03 0.00 -0.34 0.00 0.00 178.44 179.19 2g18 h ALA 21 N 0.89 -0.09 -0.94 1.25 0.00 -0.66 0.53 119.26 120.23 2g18 h ALA 21 Ca 0.12 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2g18 h ALA 21 Cb 0.68 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2g18 h ALA 21 CO 0.05 -0.54 0.60 -0.44 0.00 0.00 0.00 179.25 178.92 2g18 h ASP 22 N -0.12 0.97 -0.21 0.00 3.32 -1.19 -2.22 116.42 116.98 2g18 h ASP 22 Ca -0.01 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2g18 h ASP 22 Cb 0.10 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2g18 h ASP 22 CO 0.02 0.63 -0.29 0.00 -1.72 0.00 0.00 179.24 177.88 2g18 h ILE 24 N 0.25 0.99 -0.42 0.00 2.04 -0.73 -1.10 117.51 118.54 2g18 h ILE 24 Ca 0.02 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 2g18 h ILE 24 Cb 0.87 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2g18 h ILE 24 CO 0.07 0.04 -0.08 -0.33 0.00 0.00 0.00 178.15 177.85 2g18 h GLU 25 N 0.24 0.73 -0.27 2.37 5.08 -1.30 -1.70 114.58 119.74 2g18 h GLU 25 Ca 0.10 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2g18 h GLU 25 Cb 0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2g18 h GLU 25 CO -0.07 0.80 0.14 1.49 -1.00 0.00 0.00 179.01 180.37 2g18 h GLU 26 N 0.67 0.37 -0.54 2.33 4.81 -0.52 -1.49 114.58 120.21 2g18 h GLU 26 Ca 0.12 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2g18 h GLU 26 Cb 0.53 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2g18 h GLU 26 CO 0.03 0.33 0.12 0.28 -0.73 0.00 0.00 179.01 179.04 2g18 h VAL 27 N 0.31 1.25 -0.22 0.32 2.07 -1.07 -1.19 116.25 117.72 2g18 h VAL 27 Ca 0.09 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.75 2g18 h VAL 27 Cb 0.07 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2g18 h VAL 27 CO -0.01 0.33 0.01 -0.50 0.02 0.00 0.00 177.57 177.41 2g18 h TRP 28 N 0.77 0.00 -0.45 1.57 6.55 -1.06 -1.38 115.95 121.96 2g18 h TRP 28 Ca 0.17 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.98 2g18 h TRP 28 Cb 0.36 0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.67 2g18 h TRP 28 CO 0.03 -0.02 0.11 0.45 -1.05 0.00 0.00 178.44 177.95 2g18 h HIS 29 N 0.08 0.68 -0.13 0.49 3.86 -1.11 0.50 115.15 119.52 2g18 h HIS 29 Ca 0.10 -0.05 -0.20 0.00 -1.16 0.00 0.00 60.37 59.06 2g18 h HIS 29 Cb 0.13 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2g18 h HIS 29 CO -0.18 0.59 -0.73 1.96 0.86 0.00 0.00 177.93 180.43 2g18 h GLN 30 N 0.65 0.62 0.00 2.45 1.08 -0.66 -3.38 115.11 115.87 2g18 h GLN 30 Ca 0.15 -0.49 -0.15 0.00 -1.45 0.00 0.00 58.65 56.71 2g18 h GLN 30 Cb 0.25 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2g18 h GLN 30 CO -0.00 1.11 -1.97 0.72 -0.95 0.00 0.00 178.83 177.74 2g18 n HIS 31 N -3.90 0.00 -4.37 2.96 8.25 -0.57 -5.02 115.22 112.57 2g18 n HIS 31 Ca -0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.16 2g18 n HIS 31 Cb 0.72 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 2g18 n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2g18 s LEU 32 N -4.73 2.95 -0.64 2.41 1.43 0.16 -5.02 118.68 115.24 2g18 s LEU 32 Ca -0.07 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 2g18 s LEU 32 Cb 0.08 -1.30 0.15 0.00 0.03 0.00 0.00 46.19 45.15 2g18 s LEU 32 CO 0.70 -0.24 0.62 -0.62 0.23 0.00 0.00 176.35 177.05 2g18 s ASP 33 N -3.70 6.35 0.01 2.29 2.15 -1.26 -4.68 116.67 117.83 2g18 s ASP 33 Ca 0.34 -1.97 -0.20 0.00 0.43 0.00 0.00 52.55 51.15 2g18 s ASP 33 Cb 0.00 -2.23 -0.06 0.00 -0.30 0.00 0.00 42.92 40.34 2g18 s ASP 33 CO 0.19 -0.83 0.57 -0.76 -0.17 0.00 0.00 175.17 174.17 2g18 s LEU 34 N 1.44 4.44 0.20 -1.34 1.43 -1.26 -4.42 118.68 119.17 2g18 s LEU 34 Ca 0.09 1.16 0.09 0.00 -1.03 0.00 0.00 54.13 54.44 2g18 s LEU 34 Cb -0.23 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2g18 s LEU 34 CO 0.00 0.15 -0.17 -0.44 0.23 0.00 0.00 176.35 176.13 2g18 s SER 35 N -0.44 2.76 0.57 2.29 0.01 -0.06 -4.97 113.70 113.85 2g18 s SER 35 Ca 0.30 -0.95 -0.19 0.00 1.31 0.00 0.00 55.95 56.42 2g18 s SER 35 Cb -0.18 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 2g18 s SER 35 CO 0.17 -0.08 1.20 -2.16 0.41 0.00 0.00 173.24 172.78 2g18 s PRO 36 N -3.22 3.13 -0.18 12.44 0.04 -1.26 -0.76 135.00 145.19 2g18 s PRO 36 Ca 0.20 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2g18 s PRO 36 Cb -0.04 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2g18 s PRO 36 CO 0.08 -1.07 -0.13 -0.47 0.04 0.00 0.00 177.00 175.45 2g18 s TYR 37 N -1.60 2.84 -0.16 0.56 5.04 -0.82 -4.46 117.35 118.75 2g18 s TYR 37 Ca 0.75 -1.09 -0.14 0.00 -2.44 0.00 0.00 57.07 54.14 2g18 s TYR 37 Cb -0.30 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.01 2g18 s TYR 37 CO 0.33 -0.54 0.31 -1.01 -1.34 0.00 0.00 175.55 173.29 2g18 s HIS 38 N 1.07 3.47 0.32 4.97 3.76 -1.26 -4.68 115.29 122.94 2g18 s HIS 38 Ca -0.00 0.62 0.08 0.00 -0.15 0.00 0.00 55.06 55.60 2g18 s HIS 38 Cb -0.15 -2.35 -0.06 0.00 1.11 0.00 0.00 32.58 31.13 2g18 s HIS 38 CO -0.03 0.24 -0.06 -0.48 -0.85 0.00 0.00 174.74 173.56 2g18 s LEU 39 N 0.46 2.60 0.09 0.89 0.05 -1.26 -5.10 118.68 116.40 2g18 s LEU 39 Ca 0.17 -1.23 -0.31 0.00 0.05 0.00 0.00 54.13 52.81 2g18 s LEU 39 Cb -0.13 -0.79 -0.17 0.00 -2.05 0.00 0.00 46.19 43.05 2g18 s LEU 39 CO 0.04 -0.32 0.74 -2.65 -0.55 0.00 0.00 176.35 173.61 2g18 n PRO 40 N -0.72 0.00 -0.11 1.48 -0.02 -1.26 -4.83 135.00 129.54 2g18 n PRO 40 Ca -0.05 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.36 2g18 n PRO 40 Cb 0.64 -1.15 -0.01 0.00 -0.02 0.00 0.00 33.50 32.97 2g18 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g18 h ALA 41 N 1.87 -0.10 -1.06 3.55 0.00 -2.01 -1.70 119.26 119.81 2g18 h ALA 41 Ca -0.36 0.11 0.34 0.00 0.00 0.00 0.00 54.91 55.00 2g18 h ALA 41 Cb 1.30 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 19.57 2g18 h ALA 41 CO 0.55 -0.67 0.63 0.93 0.00 0.00 0.00 179.25 180.69 2g18 h GLU 42 N -0.22 0.27 -0.00 0.00 5.08 -1.89 -1.19 114.58 116.62 2g18 h GLU 42 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2g18 h GLU 42 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2g18 h GLU 42 CO -0.51 0.18 -0.35 1.28 -1.00 0.00 0.00 179.01 178.60 2g18 n LEU 43 N -4.95 0.53 0.11 1.33 4.77 -0.66 -3.88 117.00 114.25 2g18 n LEU 43 Ca 0.32 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.29 2g18 n LEU 43 Cb 1.07 -0.25 0.18 0.00 -2.33 0.00 0.00 43.42 42.09 2g18 n LEU 43 CO 0.13 0.12 0.55 1.23 -1.33 0.00 0.00 177.39 178.09 2g18 h GLY 44 N 4.98 0.17 -6.74 -0.72 0.00 -0.97 -3.41 103.07 96.38 2g18 h GLY 44 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 47.33 46.86 2g18 h GLY 44 CO 0.00 0.17 -0.60 -0.47 0.00 0.00 0.00 176.54 175.64 2g18 s TYR 45 N -3.87 -0.29 -0.09 5.60 5.04 -1.25 -0.79 117.35 121.70 2g18 s TYR 45 Ca -0.03 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.17 2g18 s TYR 45 Cb 0.13 -0.24 0.01 0.00 0.35 0.00 0.00 41.96 42.20 2g18 s TYR 45 CO 0.77 -0.44 -0.20 0.08 -1.34 0.00 0.00 175.55 174.42 2g18 s VAL 46 N 2.34 1.78 -0.01 3.14 1.01 0.45 -4.88 120.40 124.22 2g18 s VAL 46 Ca 0.04 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.25 2g18 s VAL 46 Cb -0.14 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2g18 s VAL 46 CO -0.09 0.50 -0.26 -1.61 0.00 0.00 0.00 175.10 173.64 2g18 s GLU 47 N 0.50 2.05 0.00 2.72 2.02 -1.26 -0.50 118.70 124.23 2g18 s GLU 47 Ca -0.16 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 53.88 2g18 s GLU 47 Cb -0.17 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2g18 s GLU 47 CO 0.06 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.30 2g18 n GLY 48 N 2.35 2.13 2.94 -1.39 0.00 -0.18 -4.99 105.19 106.05 2g18 n GLY 48 Ca -0.16 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2g18 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g18 s ARG 49 N -1.59 0.18 -0.23 1.61 1.81 -1.26 -0.77 118.95 118.70 2g18 s ARG 49 Ca 0.00 -0.33 -0.04 0.00 -1.72 0.00 0.00 55.73 53.64 2g18 s ARG 49 Cb 0.00 0.07 0.12 0.00 -0.45 0.00 0.00 34.95 34.69 2g18 s ARG 49 CO 0.00 -0.03 0.39 -1.17 -0.68 0.00 0.00 175.30 173.82 2g18 s LEU 50 N -0.81 -0.66 -1.47 2.53 2.96 0.31 -4.69 118.68 116.86 2g18 s LEU 50 Ca -0.09 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.18 2g18 s LEU 50 Cb -0.06 1.21 0.06 0.00 0.50 0.00 0.00 46.19 47.91 2g18 s LEU 50 CO -0.01 -0.28 1.00 -0.62 -1.32 0.00 0.00 176.35 175.12 2g18 n GLU 51 N 5.37 -5.98 0.00 1.98 -0.58 -1.26 -1.26 120.64 118.92 2g18 n GLU 51 Ca -0.05 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 2g18 n GLU 51 Cb 0.50 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.83 2g18 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2g18 n GLY 52 N -1.73 2.98 3.80 0.62 0.00 -1.26 -5.00 105.19 104.59 2g18 n GLY 52 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2g18 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g18 s GLU 53 N -0.07 4.39 0.12 1.61 0.41 -0.39 -5.02 118.70 119.75 2g18 s GLU 53 Ca 0.00 1.19 -0.31 0.00 -0.41 0.00 0.00 54.97 55.45 2g18 s GLU 53 Cb 0.00 -2.50 -0.07 0.00 -1.78 0.00 0.00 34.13 29.78 2g18 s GLU 53 CO 0.00 0.13 1.28 0.21 -0.49 0.00 0.00 175.26 176.40 2g18 s LYS 54 N -2.61 4.40 -0.17 1.61 2.20 -1.26 -0.53 119.74 123.37 2g18 s LYS 54 Ca 0.56 1.93 -0.06 0.00 -0.36 0.00 0.00 55.97 58.04 2g18 s LYS 54 Cb -0.14 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2g18 s LYS 54 CO 0.18 -0.29 0.02 -1.17 -0.36 0.00 0.00 175.35 173.73 2g18 s LEU 55 N 0.71 3.55 -0.03 5.43 0.20 0.05 -0.65 118.68 127.93 2g18 s LEU 55 Ca 0.60 -0.02 0.03 0.00 0.69 0.00 0.00 54.13 55.43 2g18 s LEU 55 Cb -0.34 -1.88 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 2g18 s LEU 55 CO 0.32 0.17 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.54 2g18 s THR 56 N 0.36 1.02 -0.08 3.68 2.01 0.35 -1.01 115.64 121.97 2g18 s THR 56 Ca -0.00 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.54 2g18 s THR 56 Cb -0.13 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2g18 s THR 56 CO 0.01 0.31 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.48 2g18 s ILE 57 N 0.17 1.29 -0.16 1.82 1.01 0.35 -1.00 121.20 124.68 2g18 s ILE 57 Ca -0.04 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2g18 s ILE 57 Cb -0.10 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2g18 s ILE 57 CO 0.01 0.39 -0.19 -0.70 0.00 0.00 0.00 174.94 174.46 2g18 s GLU 58 N 0.74 3.07 -0.07 2.79 2.12 0.28 -0.42 118.70 127.21 2g18 s GLU 58 Ca -0.13 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.43 2g18 s GLU 58 Cb -0.16 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 2g18 s GLU 58 CO 0.03 -0.09 -0.17 -0.80 -0.54 0.00 0.00 175.26 173.69 2g18 s ASN 59 N 1.02 3.73 -0.05 -1.70 0.01 0.03 -1.11 114.94 116.87 2g18 s ASN 59 Ca -0.02 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 2g18 s ASN 59 Cb -0.15 -1.04 0.03 0.00 0.41 0.00 0.00 41.25 40.50 2g18 s ASN 59 CO -0.05 0.27 -0.01 -0.60 -1.51 0.00 0.00 177.10 175.19 2g18 s ARG 60 N -0.27 0.57 0.01 -0.60 3.52 0.68 -4.78 118.95 118.07 2g18 s ARG 60 Ca 0.01 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.67 2g18 s ARG 60 Cb -0.13 -0.76 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 2g18 s ARG 60 CO 0.03 -0.17 -0.09 0.00 -0.81 0.00 0.00 175.30 174.26 2g18 s TYR 62 N -0.43 1.63 0.08 0.00 1.51 0.44 -1.93 117.35 118.64 2g18 s TYR 62 Ca 0.01 -1.35 -0.10 0.00 -1.01 0.00 0.00 57.07 54.62 2g18 s TYR 62 Cb -0.05 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 40.91 2g18 s TYR 62 CO 0.00 -0.49 0.22 1.14 -1.11 0.00 0.00 175.55 175.31 2g18 s GLN 63 N -3.80 0.83 0.25 -0.62 -2.07 0.06 0.50 119.66 114.81 2g18 s GLN 63 Ca 0.35 -0.84 0.02 0.00 -1.82 0.00 0.00 55.36 53.07 2g18 s GLN 63 Cb 0.05 0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 2g18 s GLN 63 CO 0.17 -0.27 0.20 0.95 -1.32 0.00 0.00 175.29 175.03 2g18 s THR 64 N -3.51 0.00 0.50 3.63 -4.23 -0.57 -0.88 115.64 110.58 2g18 s THR 64 Ca 0.02 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 58.79 2g18 s THR 64 Cb 0.03 -2.50 0.41 0.00 1.34 0.00 0.00 72.50 71.78 2g18 s THR 64 CO -0.09 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.27 2g18 h PRO 65 N 2.42 0.13 0.00 3.99 0.11 -2.02 -2.73 132.00 133.90 2g18 h PRO 65 Ca -0.31 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 2g18 h PRO 65 Cb 1.24 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2g18 h PRO 65 CO 0.46 0.09 -1.56 1.04 -0.21 0.00 0.00 178.00 177.82 2g18 n GLN 66 N -4.39 0.63 -4.10 1.05 3.00 -1.26 -4.85 117.38 107.47 2g18 n GLN 66 Ca 0.14 0.08 -0.34 0.00 -0.01 0.00 0.00 57.00 56.87 2g18 n GLN 66 Cb 0.70 -1.72 -0.15 0.00 0.00 0.00 0.00 30.24 29.08 2g18 n GLN 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2g18 s PHE 67 N -3.11 2.87 0.41 1.08 0.40 -1.03 -0.22 117.98 118.37 2g18 s PHE 67 Ca -0.04 -1.19 0.08 0.00 -0.60 0.00 0.00 56.93 55.18 2g18 s PHE 67 Cb 0.10 -2.00 0.85 0.00 0.51 0.00 0.00 43.02 42.48 2g18 s PHE 67 CO 0.83 -0.62 2.02 -0.09 0.70 0.00 0.00 175.22 178.06 2g18 h ARG 68 N 7.89 0.44 -1.70 0.44 2.43 -0.75 -1.51 114.38 121.62 2g18 h ARG 68 Ca -0.41 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.79 2g18 h ARG 68 Cb 1.16 -0.09 -0.24 0.00 -0.42 0.00 0.00 29.97 30.38 2g18 h ARG 68 CO 0.61 0.35 0.19 0.21 -1.51 0.00 0.00 179.97 179.82 2g18 s LYS 69 N -5.26 0.51 -0.23 0.20 2.20 -1.14 -4.68 119.74 111.34 2g18 s LYS 69 Ca -0.07 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 56.49 2g18 s LYS 69 Cb 0.17 0.21 0.06 0.00 -1.51 0.00 0.00 37.83 36.75 2g18 s LYS 69 CO 0.73 -0.12 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.89 2g18 s MET 70 N 1.70 1.76 -0.14 4.03 -1.94 0.18 -0.62 119.30 124.26 2g18 s MET 70 Ca -0.09 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 52.94 2g18 s MET 70 Cb -0.05 -2.56 0.01 0.00 2.01 0.00 0.00 34.83 34.24 2g18 s MET 70 CO -0.17 -0.55 -0.21 -1.58 -0.01 0.00 0.00 175.02 172.49 2g18 s HIS 71 N 1.37 2.66 -0.21 -0.03 5.04 -0.21 -0.42 115.29 123.49 2g18 s HIS 71 Ca -0.05 -1.38 -0.01 0.00 -1.54 0.00 0.00 55.06 52.08 2g18 s HIS 71 Cb -0.18 -1.82 0.01 0.00 0.04 0.00 0.00 32.58 30.63 2g18 s HIS 71 CO -0.07 -0.64 -0.11 -1.17 -2.34 0.00 0.00 174.74 170.41 2g18 s LEU 72 N 0.89 2.67 -0.12 8.88 2.96 0.87 -1.76 118.68 133.07 2g18 s LEU 72 Ca -0.05 -0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2g18 s LEU 72 Cb -0.15 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2g18 s LEU 72 CO -0.04 -0.04 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.14 2g18 s GLU 73 N 1.35 3.34 -0.07 1.98 2.12 0.36 -0.23 118.70 127.56 2g18 s GLU 73 Ca 0.04 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.76 2g18 s GLU 73 Cb -0.14 -2.65 -0.00 0.00 0.26 0.00 0.00 34.13 31.59 2g18 s GLU 73 CO -0.08 0.27 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.19 2g18 s LEU 74 N 0.22 2.01 0.03 2.70 1.43 -0.27 -1.04 118.68 123.75 2g18 s LEU 74 Ca -0.07 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2g18 s LEU 74 Cb -0.15 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 2g18 s LEU 74 CO 0.05 0.18 -0.04 0.00 0.23 0.00 0.00 176.35 176.77 2g18 s ALA 75 N 0.09 0.30 -0.10 4.21 0.00 0.14 -0.56 121.76 125.84 2g18 s ALA 75 Ca -0.09 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2g18 s ALA 75 Cb -0.15 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2g18 s ALA 75 CO 0.05 -0.14 0.25 0.21 0.00 0.00 0.00 175.76 176.13 2g18 s LYS 76 N -1.78 0.23 -0.29 0.00 2.20 -0.17 -0.69 119.74 119.24 2g18 s LYS 76 Ca -0.12 0.49 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2g18 s LYS 76 Cb -0.08 -0.05 0.08 0.00 -1.51 0.00 0.00 37.83 36.27 2g18 s LYS 76 CO -0.01 -0.13 -0.01 0.08 -0.36 0.00 0.00 175.35 174.92 2g18 s VAL 77 N 0.96 1.93 0.00 4.02 1.01 0.10 -0.49 120.40 127.92 2g18 s VAL 77 Ca -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.10 2g18 s VAL 77 Cb -0.08 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2g18 s VAL 77 CO -0.06 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.29 2g18 n GLY 78 N 4.46 2.27 1.00 4.51 0.00 0.17 -0.92 105.19 116.67 2g18 n GLY 78 Ca -0.05 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2g18 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g18 n ASN 79 N 1.15 3.33 0.04 1.61 3.02 -1.26 -4.56 115.26 118.58 2g18 n ASN 79 Ca 0.00 -1.95 -0.11 0.00 -0.03 0.00 0.00 54.58 52.49 2g18 n ASN 79 Cb 0.00 -0.30 -0.13 0.00 -0.61 0.00 0.00 39.78 38.73 2g18 n ASN 79 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2g18 h MET 80 N 3.44 0.09 -2.69 3.52 2.86 -1.42 -2.74 114.93 118.00 2g18 h MET 80 Ca 0.00 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 2g18 h MET 80 Cb 0.86 0.06 -0.27 0.00 0.06 0.00 0.00 31.60 32.31 2g18 h MET 80 CO 0.00 0.90 -0.33 -1.17 1.06 0.00 0.00 176.91 177.37 2g18 s LEU 81 N -6.63 -0.07 -0.04 1.22 2.96 -0.93 -4.37 118.68 110.82 2g18 s LEU 81 Ca -0.04 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 54.77 2g18 s LEU 81 Cb 0.08 1.26 -0.01 0.00 0.50 0.00 0.00 46.19 48.02 2g18 s LEU 81 CO 0.83 -0.19 -0.21 -1.81 -1.32 0.00 0.00 176.35 173.65 2g18 s ASP 82 N 1.49 2.55 -0.02 3.68 1.01 -0.65 -0.72 116.67 124.01 2g18 s ASP 82 Ca -0.09 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.77 2g18 s ASP 82 Cb -0.09 -0.55 0.02 0.00 1.01 0.00 0.00 42.92 43.31 2g18 s ASP 82 CO -0.12 0.22 -0.00 -0.63 0.21 0.00 0.00 175.17 174.85 2g18 s ILE 83 N -0.22 0.13 -0.07 0.77 1.01 0.13 -0.48 121.20 122.47 2g18 s ILE 83 Ca 0.01 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.75 2g18 s ILE 83 Cb -0.11 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 2g18 s ILE 83 CO 0.01 0.10 -0.23 -0.22 0.00 0.00 0.00 174.94 174.60 2g18 s LEU 84 N 0.62 2.16 -0.02 2.97 0.20 0.27 -0.68 118.68 124.19 2g18 s LEU 84 Ca -0.06 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.28 2g18 s LEU 84 Cb -0.09 -1.41 0.01 0.00 -0.43 0.00 0.00 46.19 44.28 2g18 s LEU 84 CO -0.01 0.23 -0.02 -2.28 -0.29 0.00 0.00 176.35 173.98 2g18 s HIS 85 N -0.09 0.32 -0.04 5.38 5.65 -0.21 0.12 115.29 126.42 2g18 s HIS 85 Ca -0.05 -0.03 -0.02 0.00 0.25 0.00 0.00 55.06 55.21 2g18 s HIS 85 Cb -0.14 -0.32 0.03 0.00 -1.18 0.00 0.00 32.58 30.96 2g18 s HIS 85 CO 0.04 -0.08 0.09 0.00 -0.65 0.00 0.00 174.74 174.15 2g18 s VAL 87 N 0.99 0.02 -0.19 0.00 1.01 -0.72 -1.23 120.40 120.29 2g18 s VAL 87 Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2g18 s VAL 87 Cb -0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 2g18 s VAL 87 CO -0.04 -0.11 -0.10 -0.04 0.00 0.00 0.00 175.10 174.81 2g18 s MET 88 N -0.31 3.29 -0.38 2.72 -1.94 -0.20 -1.05 119.30 121.44 2g18 s MET 88 Ca -0.03 -0.69 -0.09 0.00 -1.71 0.00 0.00 55.69 53.16 2g18 s MET 88 Cb -0.02 -2.80 0.05 0.00 2.01 0.00 0.00 34.83 34.06 2g18 s MET 88 CO -0.00 -0.08 0.20 -0.06 -0.01 0.00 0.00 175.02 175.07 2g18 s PHE 89 N 1.12 3.28 0.68 -0.03 0.40 0.21 -3.58 117.98 120.05 2g18 s PHE 89 Ca 0.01 -1.25 -0.15 0.00 -0.60 0.00 0.00 56.93 54.94 2g18 s PHE 89 Cb -0.14 -2.57 0.01 0.00 0.51 0.00 0.00 43.02 40.83 2g18 s PHE 89 CO -0.03 -0.73 1.13 -2.14 0.70 0.00 0.00 175.22 174.15 2g18 s PRO 90 N 1.48 2.63 0.22 0.24 0.02 -1.26 -0.16 135.00 138.17 2g18 s PRO 90 Ca 0.01 1.46 -0.30 0.00 0.02 0.00 0.00 61.00 62.20 2g18 s PRO 90 Cb -0.20 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 2g18 s PRO 90 CO 0.04 -1.40 1.30 1.03 -0.33 0.00 0.00 177.00 177.64 2g18 s ARG 91 N -4.08 4.40 0.00 5.54 0.52 0.69 -4.36 118.95 121.66 2g18 s ARG 91 Ca 0.68 2.06 0.07 0.00 -0.52 0.00 0.00 55.73 58.03 2g18 s ARG 91 Cb -0.22 -3.18 0.32 0.00 0.52 0.00 0.00 34.95 32.39 2g18 s ARG 91 CO 0.43 -0.22 1.20 -0.35 0.02 0.00 0.00 175.30 176.38 2g18 n PRO 92 N 2.28 0.02 0.15 3.54 -0.04 -1.26 -0.71 135.00 138.99 2g18 n PRO 92 Ca 0.05 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 2g18 n PRO 92 Cb 0.43 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.93 2g18 n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2g18 h GLU 93 N 0.00 0.00 -5.71 0.54 3.07 -1.91 -3.43 114.58 107.14 2g18 h GLU 93 Ca 0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.20 2g18 h GLU 93 Cb 0.11 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 27.80 2g18 h GLU 93 CO 0.00 0.00 -0.71 0.71 -1.40 0.00 0.00 179.01 177.61 2g18 s TYR 94 N -3.41 2.90 -1.43 4.33 1.51 0.11 -0.81 117.35 120.55 2g18 s TYR 94 Ca 0.02 -0.26 -0.14 0.00 -1.01 0.00 0.00 57.07 55.68 2g18 s TYR 94 Cb 0.09 -1.80 0.05 0.00 -0.11 0.00 0.00 41.96 40.19 2g18 s TYR 94 CO 0.37 0.07 2.15 -3.47 -1.11 0.00 0.00 175.55 173.55 2g18 n ASP 95 N 2.94 4.09 -4.28 2.29 2.03 -1.26 -4.82 116.55 117.54 2g18 n ASP 95 Ca -0.18 -2.87 -0.28 0.00 0.52 0.00 0.00 54.79 51.98 2g18 n ASP 95 Cb 0.53 -1.65 -0.15 0.00 -0.72 0.00 0.00 41.12 39.12 2g18 n ASP 95 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2g18 s LEU 96 N 2.23 2.11 1.10 -2.67 1.43 -1.26 -4.89 118.68 116.73 2g18 s LEU 96 Ca 0.47 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 2g18 s LEU 96 Cb 0.12 -1.15 0.24 0.00 0.03 0.00 0.00 46.19 45.43 2g18 s LEU 96 CO -0.06 0.24 1.13 -2.16 0.23 0.00 0.00 176.35 175.73 2g18 s PRO 97 N -0.89 -0.43 -0.30 1.29 0.04 -1.26 -4.61 135.00 128.83 2g18 s PRO 97 Ca 0.09 0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 2g18 s PRO 97 Cb -0.09 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 2g18 s PRO 97 CO 0.01 -3.21 0.20 -1.64 0.04 0.00 0.00 177.00 172.39 2g18 s MET 98 N -5.34 3.72 0.05 4.56 -1.94 0.18 -4.73 119.30 115.79 2g18 s MET 98 Ca 0.69 -0.48 -0.29 0.00 -1.71 0.00 0.00 55.69 53.91 2g18 s MET 98 Cb -0.12 -3.69 -0.05 0.00 2.01 0.00 0.00 34.83 32.99 2g18 s MET 98 CO 0.56 -0.30 0.91 0.12 -0.01 0.00 0.00 175.02 176.31 2g18 s PHE 99 N 1.73 3.73 -0.02 -0.03 5.36 -1.23 -0.39 117.98 127.12 2g18 s PHE 99 Ca 0.06 1.67 -0.03 0.00 -0.96 0.00 0.00 56.93 57.68 2g18 s PHE 99 Cb -0.17 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 2g18 s PHE 99 CO 0.10 0.14 0.07 0.20 -1.46 0.00 0.00 175.22 174.27 2g18 s GLY 100 N 0.36 -0.02 0.01 13.12 0.00 -0.55 -1.03 107.32 119.21 2g18 s GLY 100 Ca 0.46 0.11 -0.06 0.00 0.00 0.00 0.00 44.72 45.23 2g18 s GLY 100 CO 0.27 0.07 0.11 0.00 0.00 0.00 0.00 173.10 173.55 2g18 s ASP 102 N -1.55 0.53 -0.04 0.00 1.01 0.07 -0.91 116.67 115.78 2g18 s ASP 102 Ca -0.13 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.84 2g18 s ASP 102 Cb -0.07 0.00 0.03 0.00 1.01 0.00 0.00 42.92 43.89 2g18 s ASP 102 CO 0.00 -0.09 -0.01 -0.22 0.21 0.00 0.00 175.17 175.05 2g18 s LEU 103 N -0.80 1.09 -0.08 1.23 2.96 0.12 -1.24 118.68 121.97 2g18 s LEU 103 Ca -0.05 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 2g18 s LEU 103 Cb -0.06 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.31 2g18 s LEU 103 CO -0.00 -0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.08 2g18 s VAL 104 N 1.18 1.42 0.11 1.68 1.01 -0.29 -0.57 120.40 124.94 2g18 s VAL 104 Ca -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2g18 s VAL 104 Cb -0.14 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 2g18 s VAL 104 CO -0.02 0.42 0.14 0.61 0.00 0.00 0.00 175.10 176.25 2g18 n GLY 105 N 3.76 3.14 3.65 4.51 0.00 0.36 -1.11 105.19 119.50 2g18 n GLY 105 Ca -0.21 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.24 2g18 n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2g18 s GLY 106 N -1.74 0.44 -1.23 -0.02 0.00 -0.25 -1.63 107.32 102.88 2g18 s GLY 106 Ca 0.11 3.61 -0.25 0.00 0.00 0.00 0.00 44.72 48.18 2g18 s GLY 106 CO 0.08 2.53 0.64 -0.96 0.00 0.00 0.00 173.10 175.39 2g18 n ARG 107 N 2.86 -0.81 -0.78 2.90 1.85 -1.04 -0.72 116.66 120.92 2g18 n ARG 107 Ca -0.16 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2g18 n ARG 107 Cb 0.57 -3.24 0.00 0.00 -1.05 0.00 0.00 32.46 28.74 2g18 n ARG 107 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2g18 n GLY 108 N -2.01 1.15 3.42 2.89 0.00 -1.26 -5.02 105.19 104.36 2g18 n GLY 108 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2g18 n GLY 108 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g18 s GLN 109 N -0.11 1.66 -0.29 1.61 -1.52 0.10 -5.07 119.66 116.04 2g18 s GLN 109 Ca 0.00 -1.21 -0.07 0.00 -1.95 0.00 0.00 55.36 52.13 2g18 s GLN 109 Cb 0.00 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.79 2g18 s GLN 109 CO 0.00 0.48 0.08 0.42 -0.25 0.00 0.00 175.29 176.02 2g18 s ILE 110 N -1.02 4.00 -0.01 1.08 1.01 -1.26 -1.09 121.20 123.91 2g18 s ILE 110 Ca 0.15 -0.67 0.11 0.00 0.00 0.00 0.00 60.65 60.24 2g18 s ILE 110 Cb -0.10 -3.06 -0.19 0.00 0.01 0.00 0.00 42.46 39.12 2g18 s ILE 110 CO 0.06 0.08 0.95 0.77 0.00 0.00 0.00 174.94 176.81 2g18 h SER 111 N 8.24 0.00 -3.46 3.58 4.64 -1.47 -3.38 113.55 121.70 2g18 h SER 111 Ca -0.32 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.83 2g18 h SER 111 Cb 1.13 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.94 2g18 h SER 111 CO 0.60 0.91 -0.45 0.00 -0.87 0.00 0.00 176.83 177.03 2g18 s ALA 112 N -2.70 -0.63 -0.05 5.18 0.00 -1.00 -4.44 121.76 118.10 2g18 s ALA 112 Ca -0.02 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 2g18 s ALA 112 Cb 0.09 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.62 2g18 s ALA 112 CO 0.82 -0.19 -0.01 0.00 0.00 0.00 0.00 175.76 176.37 2g18 s ALA 113 N 1.00 0.61 0.01 0.00 0.00 -0.04 -1.14 121.76 122.20 2g18 s ALA 113 Ca -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.87 2g18 s ALA 113 Cb -0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2g18 s ALA 113 CO -0.07 -0.23 -0.09 -1.50 0.00 0.00 0.00 175.76 173.87 2g18 s ILE 114 N 1.43 0.71 -0.10 0.00 2.07 -0.38 -1.09 121.20 123.84 2g18 s ILE 114 Ca -0.03 -0.59 -0.11 0.00 -1.41 0.00 0.00 60.65 58.51 2g18 s ILE 114 Cb -0.13 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 41.85 2g18 s ILE 114 CO -0.03 0.06 0.30 0.00 -1.91 0.00 0.00 174.94 173.36 2g18 s ALA 115 N -0.50 -0.74 0.14 1.50 0.00 -0.24 -0.75 121.76 121.17 2g18 s ALA 115 Ca 0.01 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 2g18 s ALA 115 Cb -0.05 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.71 2g18 s ALA 115 CO 0.00 -0.16 0.50 0.34 0.00 0.00 0.00 175.76 176.44 2g18 s ASP 116 N -0.06 -0.40 -0.51 0.00 2.15 -0.16 -0.95 116.67 116.75 2g18 s ASP 116 Ca -0.02 -0.15 -0.01 0.00 0.43 0.00 0.00 52.55 52.80 2g18 s ASP 116 Cb -0.03 0.53 0.13 0.00 -0.30 0.00 0.00 42.92 43.26 2g18 s ASP 116 CO 0.01 -0.90 0.29 -0.76 -0.17 0.00 0.00 175.17 173.64 2g18 s LEU 117 N -2.75 5.00 0.15 -1.34 1.43 -1.26 -1.48 118.68 118.43 2g18 s LEU 117 Ca 0.02 -2.57 -0.26 0.00 -1.03 0.00 0.00 54.13 50.28 2g18 s LEU 117 Cb 0.00 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 2g18 s LEU 117 CO -0.12 -0.39 0.82 -0.44 0.23 0.00 0.00 176.35 176.44 2g18 s SER 118 N 0.84 7.40 0.46 2.29 0.01 0.47 -4.33 113.70 120.85 2g18 s SER 118 Ca 0.14 1.66 -0.23 0.00 1.31 0.00 0.00 55.95 58.83 2g18 s SER 118 Cb -0.22 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 2g18 s SER 118 CO -0.04 0.13 1.18 -2.16 0.41 0.00 0.00 173.24 172.76 2g18 s PRO 119 N -0.80 3.73 0.00 12.44 0.04 -1.26 -0.65 135.00 148.50 2g18 s PRO 119 Ca 0.38 1.80 0.18 0.00 0.04 0.00 0.00 61.00 63.40 2g18 s PRO 119 Cb -0.23 -2.40 -0.12 0.00 0.04 0.00 0.00 34.50 31.78 2g18 s PRO 119 CO 0.27 -0.59 0.81 1.33 0.04 0.00 0.00 177.00 178.86 2g18 n VAL 120 N -0.51 0.00 -2.44 -0.36 0.24 -1.26 -4.81 118.33 109.19 2g18 n VAL 120 Ca 0.07 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.34 61.81 2g18 n VAL 120 Cb 0.48 1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.89 2g18 n VAL 120 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2g18 s HIS 121 N -2.44 3.47 0.14 6.34 3.76 -1.26 -3.86 115.29 121.44 2g18 s HIS 121 Ca 0.10 1.66 0.09 0.00 -0.15 0.00 0.00 55.06 56.76 2g18 s HIS 121 Cb 0.14 -3.31 -0.00 0.00 1.11 0.00 0.00 32.58 30.52 2g18 s HIS 121 CO 0.62 -0.71 1.40 -0.07 -0.85 0.00 0.00 174.74 175.13 2g18 h LEU 122 N 3.56 0.00 0.00 0.89 3.38 -1.91 -0.64 115.31 120.59 2g18 h LEU 122 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2g18 h LEU 122 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2g18 h LEU 122 CO 0.66 0.84 0.00 -0.90 0.09 0.00 0.00 178.44 179.13 2g18 n ASP 123 N -3.47 0.00 -0.35 -0.43 5.68 -1.26 -4.86 116.55 111.86 2g18 n ASP 123 Ca -0.00 -0.07 -0.05 0.00 -0.50 0.00 0.00 54.79 54.17 2g18 n ASP 123 Cb 0.82 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.75 2g18 n ASP 123 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2g18 n ARG 124 N -1.03 -0.50 -3.62 0.11 1.74 -0.25 -5.00 116.66 108.12 2g18 n ARG 124 Ca 0.02 0.56 -0.24 0.00 -0.77 0.00 0.00 57.85 57.42 2g18 n ARG 124 Cb 0.01 -4.24 -0.02 0.00 -1.02 0.00 0.00 32.46 27.20 2g18 n ARG 124 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2g18 s THR 125 N -2.08 5.17 0.15 0.55 -4.23 -1.26 -4.80 115.64 109.14 2g18 s THR 125 Ca 0.00 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2g18 s THR 125 Cb 0.00 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 2g18 s THR 125 CO 0.00 -0.41 0.29 -0.76 -0.54 0.00 0.00 174.62 173.20 2g18 s LEU 126 N -4.01 4.33 0.74 4.79 1.43 -1.26 -4.20 118.68 120.49 2g18 s LEU 126 Ca 0.38 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2g18 s LEU 126 Cb -0.10 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.21 2g18 s LEU 126 CO 0.32 0.05 1.15 -2.65 0.23 0.00 0.00 176.35 175.45 2g18 n PRO 127 N -0.50 0.54 -0.17 1.29 -0.02 -1.26 -4.70 135.00 130.19 2g18 n PRO 127 Ca -0.07 0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.65 2g18 n PRO 127 Cb 0.54 -2.39 0.06 0.00 -0.02 0.00 0.00 33.50 31.69 2g18 n PRO 127 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2g18 h GLU 128 N -0.30 0.11 -0.97 -0.52 4.39 -1.99 -0.72 114.58 114.57 2g18 h GLU 128 Ca -0.48 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.32 2g18 h GLU 128 Cb 1.32 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.87 2g18 h GLU 128 CO 0.48 0.07 0.62 0.66 -1.16 0.00 0.00 179.01 179.68 2g18 h SER 129 N 0.11 0.89 -0.05 1.42 4.64 -2.00 -0.69 113.55 117.88 2g18 h SER 129 Ca 0.26 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2g18 h SER 129 Cb 0.40 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2g18 h SER 129 CO -0.44 0.50 0.01 1.88 -0.87 0.00 0.00 176.83 177.91 2g18 h TYR 130 N 0.97 0.08 -0.39 4.77 -1.99 -1.50 -2.34 116.97 116.56 2g18 h TYR 130 Ca 0.47 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 61.27 2g18 h TYR 130 Cb 0.45 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 39.08 2g18 h TYR 130 CO -0.00 0.26 -0.12 -0.91 -0.00 0.00 0.00 178.16 177.39 2g18 h ASN 131 N -0.13 -0.42 -0.08 3.88 2.35 -0.70 0.73 115.58 121.21 2g18 h ASN 131 Ca 0.01 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2g18 h ASN 131 Cb 0.22 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2g18 h ASN 131 CO -0.00 -0.15 -0.02 0.28 -1.65 0.00 0.00 177.43 175.89 2g18 h SER 132 N -0.02 -0.08 -0.78 5.81 0.02 -1.17 -1.39 113.55 115.93 2g18 h SER 132 Ca 0.19 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2g18 h SER 132 Cb 0.31 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2g18 h SER 132 CO -0.42 -0.03 0.33 0.00 -1.14 0.00 0.00 176.83 175.58 2g18 h ALA 133 N 1.08 1.02 0.14 3.77 0.00 -0.93 -3.11 119.26 121.23 2g18 h ALA 133 Ca 0.04 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 2g18 h ALA 133 Cb 0.06 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.57 2g18 h ALA 133 CO -0.09 0.63 -0.97 -0.07 0.00 0.00 0.00 179.25 178.75 2g18 h LEU 134 N 1.13 0.60 -2.16 0.00 3.38 -0.73 -3.22 115.31 114.31 2g18 h LEU 134 Ca 0.26 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 57.39 2g18 h LEU 134 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2g18 h LEU 134 CO -0.02 1.46 0.19 0.71 0.09 0.00 0.00 178.44 180.87 2g18 h THR 135 N -0.16 0.61 -0.08 0.22 1.35 -1.28 -0.60 112.91 112.97 2g18 h THR 135 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2g18 h THR 135 Cb 1.74 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2g18 h THR 135 CO 0.18 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.25 2g18 n SER 136 N -4.03 0.84 -4.76 5.36 7.64 -1.18 -4.80 113.62 112.69 2g18 n SER 136 Ca 0.02 -1.53 -0.39 0.00 1.01 0.00 0.00 58.87 57.97 2g18 n SER 136 Cb 0.33 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 2g18 n SER 136 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2g18 s LEU 137 N -1.62 4.46 0.21 -3.43 1.43 -0.23 -4.96 118.68 114.54 2g18 s LEU 137 Ca 0.31 2.20 -0.32 0.00 -1.03 0.00 0.00 54.13 55.29 2g18 s LEU 137 Cb 0.16 -3.76 -0.13 0.00 0.03 0.00 0.00 46.19 42.50 2g18 s LEU 137 CO 0.25 -0.21 1.63 0.59 0.23 0.00 0.00 176.35 178.85 2g18 n ASN 138 N 0.91 3.60 -4.67 2.29 4.13 -1.26 -4.88 115.26 115.38 2g18 n ASN 138 Ca 0.00 1.09 -0.42 0.00 1.68 0.00 0.00 54.58 56.93 2g18 n ASN 138 Cb 0.46 -1.52 -0.03 0.00 -1.54 0.00 0.00 39.78 37.15 2g18 n ASN 138 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2g18 s THR 139 N 0.78 3.18 0.02 3.41 2.01 -1.26 -4.96 115.64 118.83 2g18 s THR 139 Ca 0.74 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.97 2g18 s THR 139 Cb -0.57 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 2g18 s THR 139 CO 0.38 -0.02 0.36 -0.76 -0.69 0.00 0.00 174.62 173.89 2g18 s LEU 140 N 3.87 4.40 -0.49 4.42 1.43 -1.26 -5.03 118.68 126.02 2g18 s LEU 140 Ca 0.80 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 2g18 s LEU 140 Cb -0.39 -2.71 0.13 0.00 0.03 0.00 0.00 46.19 43.25 2g18 s LEU 140 CO 0.35 0.26 0.25 0.20 0.23 0.00 0.00 176.35 177.64 2g18 s ASN 141 N -1.42 4.80 -0.09 2.29 -0.87 -1.26 -5.07 114.94 113.32 2g18 s ASN 141 Ca 0.27 -2.62 -0.16 0.00 -1.57 0.00 0.00 52.86 48.78 2g18 s ASN 141 Cb -0.15 -1.72 -0.05 0.00 -0.02 0.00 0.00 41.25 39.31 2g18 s ASN 141 CO 0.15 -0.35 0.41 -0.36 -2.57 0.00 0.00 177.10 174.38 2g18 s PHE 142 N 0.26 3.57 0.47 2.20 0.40 -1.26 -4.98 117.98 118.65 2g18 s PHE 142 Ca 0.14 0.86 0.17 0.00 -0.60 0.00 0.00 56.93 57.50 2g18 s PHE 142 Cb -0.22 -2.42 1.16 0.00 0.51 0.00 0.00 43.02 42.05 2g18 s PHE 142 CO -0.03 0.34 2.05 0.66 0.70 0.00 0.00 175.22 178.94 2g18 h SER 143 N 6.04 0.00 -2.18 1.36 4.64 -1.98 -3.32 113.55 118.11 2g18 h SER 143 Ca -0.45 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 2g18 h SER 143 Cb 1.19 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.86 2g18 h SER 143 CO 0.71 0.13 -0.65 0.00 -0.87 0.00 0.00 176.83 176.15 2g18 n GLN 144 N -4.26 2.43 -1.41 4.77 6.02 -1.26 -5.09 117.38 118.57 2g18 n GLN 144 Ca -0.03 -4.56 -0.31 0.00 -0.01 0.00 0.00 57.00 52.10 2g18 n GLN 144 Cb 0.20 -2.16 0.08 0.00 1.02 0.00 0.00 30.24 29.38 2g18 n GLN 144 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2g18 s PRO 145 N -2.46 2.46 0.14 -1.09 0.04 -1.25 -1.15 135.00 131.69 2g18 s PRO 145 Ca 0.40 1.01 0.09 0.00 0.04 0.00 0.00 61.00 62.54 2g18 s PRO 145 Cb 0.17 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2g18 s PRO 145 CO -0.03 -1.45 -0.20 1.03 0.04 0.00 0.00 177.00 176.38 2g18 s ARG 146 N -4.99 1.24 -0.07 4.56 0.52 0.14 -4.81 118.95 115.54 2g18 s ARG 146 Ca 0.60 -1.31 -0.22 0.00 -0.52 0.00 0.00 55.73 54.28 2g18 s ARG 146 Cb -0.16 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 2g18 s ARG 146 CO 0.56 0.31 0.62 -2.00 0.02 0.00 0.00 175.30 174.81 2g18 s GLU 147 N -2.37 4.39 0.37 3.54 2.12 -1.26 -4.77 118.70 120.72 2g18 s GLU 147 Ca 0.12 0.74 -0.27 0.00 0.36 0.00 0.00 54.97 55.92 2g18 s GLU 147 Cb -0.08 -3.42 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 2g18 s GLU 147 CO 0.06 0.15 1.25 -0.51 -0.54 0.00 0.00 175.26 175.67 2g18 s LEU 148 N 0.54 4.32 0.82 2.70 1.43 -1.26 -5.05 118.68 122.19 2g18 s LEU 148 Ca 0.33 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.88 2g18 s LEU 148 Cb -0.17 -3.82 0.09 0.00 0.03 0.00 0.00 46.19 42.32 2g18 s LEU 148 CO 0.16 -0.63 1.14 -2.16 0.23 0.00 0.00 176.35 175.09 2g18 s PRO 149 N -2.02 1.87 0.28 1.29 0.04 -1.26 -4.90 135.00 130.28 2g18 s PRO 149 Ca 0.53 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 2g18 s PRO 149 Cb -0.36 -1.92 0.41 0.00 0.04 0.00 0.00 34.50 32.66 2g18 s PRO 149 CO 0.47 -1.70 1.91 0.93 0.04 0.00 0.00 177.00 178.66 2g18 h GLU 150 N -1.14 1.14 0.00 4.56 3.07 -2.05 0.38 114.58 120.55 2g18 h GLU 150 Ca -0.47 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 2g18 h GLU 150 Cb 1.31 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2g18 h GLU 150 CO 0.63 0.76 0.07 -2.67 -1.40 0.00 0.00 179.01 176.40 2g18 n TRP 151 N -4.45 0.15 1.43 4.33 4.27 -1.26 -1.22 117.44 120.68 2g18 n TRP 151 Ca 0.13 0.08 0.08 0.00 -3.89 0.00 0.00 57.50 53.90 2g18 n TRP 151 Cb 0.12 -0.56 0.45 0.00 -1.36 0.00 0.00 31.31 29.96 2g18 n TRP 151 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2g18 n GLY 152 N -1.40 -0.72 0.00 -1.67 0.00 0.13 -3.37 105.19 98.17 2g18 n GLY 152 Ca -0.00 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2g18 n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g18 n ASN 153 N -0.83 0.00 0.02 1.61 6.94 -0.36 -1.10 115.26 121.54 2g18 n ASN 153 Ca 0.11 -0.27 0.13 0.00 -0.02 0.00 0.00 54.58 54.54 2g18 n ASN 153 Cb 0.05 -0.05 0.48 0.00 -2.36 0.00 0.00 39.78 37.90 2g18 n ASN 153 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2g18 n ILE 154 N -1.05 0.09 -3.35 1.53 -5.35 -1.22 -4.86 119.36 105.16 2g18 n ILE 154 Ca 0.08 -0.05 -0.32 0.00 -0.27 0.00 0.00 62.75 62.19 2g18 n ILE 154 Cb 0.05 -0.30 -0.05 0.00 -1.74 0.00 0.00 39.64 37.59 2g18 n ILE 154 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2g18 s PHE 155 N -3.02 3.42 0.89 4.28 0.40 -0.26 -4.02 117.98 119.67 2g18 s PHE 155 Ca 0.12 0.92 -0.13 0.00 -0.60 0.00 0.00 56.93 57.25 2g18 s PHE 155 Cb 0.18 -2.30 0.13 0.00 0.51 0.00 0.00 43.02 41.53 2g18 s PHE 155 CO 0.59 0.22 1.18 -1.54 0.70 0.00 0.00 175.22 176.37 2g18 s SER 156 N -2.42 3.77 0.12 1.36 1.04 -1.26 -4.87 113.70 111.45 2g18 s SER 156 Ca 0.48 0.77 0.14 0.00 0.48 0.00 0.00 55.95 57.82 2g18 s SER 156 Cb -0.11 -1.22 0.63 0.00 0.10 0.00 0.00 66.02 65.42 2g18 s SER 156 CO 0.21 -2.37 1.42 0.47 0.98 0.00 0.00 173.24 173.96 2g18 n ASP 157 N -3.61 0.25 -0.73 7.02 8.00 -1.26 -2.58 116.55 123.64 2g18 n ASP 157 Ca 0.09 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.29 2g18 n ASP 157 Cb 0.60 -0.63 0.11 0.00 -0.02 0.00 0.00 41.12 41.18 2g18 n ASP 157 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2g18 n PHE 158 N -1.81 0.00 -1.65 1.24 3.01 -1.26 -4.98 117.46 112.02 2g18 n PHE 158 Ca 0.01 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.03 2g18 n PHE 158 Cb 0.11 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 2g18 n PHE 158 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2g18 s ILE 160 N -0.56 3.05 -0.22 0.00 1.01 -0.13 -4.99 121.20 119.36 2g18 s ILE 160 Ca 0.64 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 2g18 s ILE 160 Cb -0.67 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 39.55 2g18 s ILE 160 CO 0.55 0.49 0.09 0.12 0.00 0.00 0.00 174.94 176.19 2g18 s PHE 161 N 0.90 0.62 0.15 3.97 5.36 -1.26 -1.07 117.98 126.64 2g18 s PHE 161 Ca -0.03 -0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 55.14 2g18 s PHE 161 Cb -0.15 -0.95 -0.03 0.00 -0.34 0.00 0.00 43.02 41.55 2g18 s PHE 161 CO -0.00 -0.66 0.14 0.14 -1.46 0.00 0.00 175.22 173.38 2g18 s VAL 162 N 2.00 0.08 -0.33 3.12 -7.23 -0.25 -0.69 120.40 117.10 2g18 s VAL 162 Ca 0.04 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2g18 s VAL 162 Cb -0.16 -2.02 0.05 0.00 0.56 0.00 0.00 36.38 34.81 2g18 s VAL 162 CO -0.18 -0.37 0.06 -0.60 -0.31 0.00 0.00 175.10 173.71 2g18 s ARG 163 N -4.03 2.44 -0.03 4.82 3.52 -0.30 -0.86 118.95 124.51 2g18 s ARG 163 Ca 0.23 -1.31 -0.30 0.00 -0.13 0.00 0.00 55.73 54.22 2g18 s ARG 163 Cb 0.06 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 2g18 s ARG 163 CO 0.02 -0.70 1.56 -2.14 -0.81 0.00 0.00 175.30 173.23 2g18 s PRO 164 N 1.29 4.21 -0.07 5.12 0.02 -1.26 -4.32 135.00 139.99 2g18 s PRO 164 Ca -0.02 2.11 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 2g18 s PRO 164 Cb -0.20 -3.81 -0.27 0.00 0.02 0.00 0.00 34.50 30.24 2g18 s PRO 164 CO -0.00 -0.75 0.57 0.66 -0.33 0.00 0.00 177.00 177.15 2g18 h SER 165 N 8.81 0.40 -1.79 2.53 4.64 -1.94 -3.45 113.55 122.75 2g18 h SER 165 Ca -0.38 -0.75 -0.60 0.00 -0.47 0.00 0.00 61.79 59.59 2g18 h SER 165 Cb 1.17 -0.13 -0.12 0.00 -0.31 0.00 0.00 62.40 63.02 2g18 h SER 165 CO 0.94 1.65 -0.60 -0.94 -0.87 0.00 0.00 176.83 177.01 2g18 s SER 166 N -6.96 4.05 0.30 4.97 1.04 -1.26 -5.02 113.70 110.81 2g18 s SER 166 Ca -0.16 -1.15 0.25 0.00 0.48 0.00 0.00 55.95 55.36 2g18 s SER 166 Cb 0.07 -0.45 1.05 0.00 0.10 0.00 0.00 66.02 66.79 2g18 s SER 166 CO 0.81 -0.34 1.74 -0.65 0.98 0.00 0.00 173.24 175.78 2g18 h PRO 167 N 1.78 0.00 -0.48 4.02 0.11 -1.99 -2.21 132.00 133.22 2g18 h PRO 167 Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 2g18 h PRO 167 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2g18 h PRO 167 CO 0.72 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.28 2g18 h GLU 168 N 0.00 0.95 -0.35 1.05 3.07 -1.99 -2.35 114.58 114.96 2g18 h GLU 168 Ca 0.00 -0.39 -0.15 0.00 -0.50 0.00 0.00 59.36 58.32 2g18 h GLU 168 Cb 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2g18 h GLU 168 CO 0.00 1.05 -0.39 0.93 -1.40 0.00 0.00 179.01 179.20 2g18 h GLU 169 N 0.80 0.85 -0.91 2.33 5.08 -1.83 0.33 114.58 121.22 2g18 h GLU 169 Ca 0.12 -0.44 0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2g18 h GLU 169 Cb 0.73 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2g18 h GLU 169 CO 0.06 1.08 0.57 0.93 -1.00 0.00 0.00 179.01 180.65 2g18 h GLU 170 N 0.69 1.03 -0.12 2.33 5.08 -1.40 0.29 114.58 122.47 2g18 h GLU 170 Ca 0.06 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2g18 h GLU 170 Cb 0.96 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2g18 h GLU 170 CO 0.09 0.68 -0.73 0.00 -1.00 0.00 0.00 179.01 178.05 2g18 h ALA 171 N 1.41 0.48 -0.60 3.43 0.00 -0.98 -1.74 119.26 121.27 2g18 h ALA 171 Ca 0.39 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2g18 h ALA 171 Cb 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2g18 h ALA 171 CO -0.16 0.72 0.31 0.52 0.00 0.00 0.00 179.25 180.64 2g18 h MET 172 N 0.41 0.57 -0.12 0.00 2.86 -0.33 0.08 114.93 118.40 2g18 h MET 172 Ca -0.04 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2g18 h MET 172 Cb 1.33 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 2g18 h MET 172 CO 0.14 0.38 -0.05 0.35 1.06 0.00 0.00 176.91 178.79 2g18 h PHE 173 N 0.59 0.27 -0.65 -0.22 3.57 -0.84 -1.37 116.94 118.30 2g18 h PHE 173 Ca 0.27 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2g18 h PHE 173 Cb 0.19 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2g18 h PHE 173 CO -0.10 0.57 0.38 1.25 -2.23 0.00 0.00 178.31 178.19 2g18 h LEU 174 N -0.10 0.59 -0.73 0.59 5.85 -1.19 -1.02 115.31 119.30 2g18 h LEU 174 Ca 0.03 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.81 2g18 h LEU 174 Cb 0.49 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2g18 h LEU 174 CO 0.02 0.40 0.44 1.23 -0.34 0.00 0.00 178.44 180.19 2g18 h GLY 175 N 0.73 1.08 0.89 3.75 0.00 -0.80 -1.57 103.07 107.14 2g18 h GLY 175 Ca 0.28 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2g18 h GLY 175 CO -0.14 0.24 -0.35 -0.09 0.00 0.00 0.00 176.54 176.20 2g18 h ARG 176 N 0.83 0.57 -0.75 4.80 9.65 -0.54 -2.00 114.38 126.94 2g18 h ARG 176 Ca 0.31 -0.36 0.12 0.00 -1.10 0.00 0.00 59.98 58.95 2g18 h ARG 176 Cb 0.11 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.65 2g18 h ARG 176 CO -0.15 0.97 0.35 0.28 2.80 0.00 0.00 179.97 184.22 2g18 h VAL 177 N 0.23 0.76 -0.88 0.20 2.07 -1.12 -0.26 116.25 117.25 2g18 h VAL 177 Ca 0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2g18 h VAL 177 Cb 0.94 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2g18 h VAL 177 CO 0.08 0.10 0.52 -0.09 0.02 0.00 0.00 177.57 178.20 2g18 h ARG 178 N 0.55 1.20 -0.49 1.57 2.43 -1.08 -1.02 114.38 117.54 2g18 h ARG 178 Ca 0.39 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2g18 h ARG 178 Cb 0.51 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2g18 h ARG 178 CO -0.33 0.85 0.21 0.93 -1.51 0.00 0.00 179.97 180.11 2g18 h GLU 179 N 1.21 0.72 -0.41 0.20 5.08 -0.58 -0.76 114.58 120.04 2g18 h GLU 179 Ca 0.31 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2g18 h GLU 179 Cb -0.04 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 2g18 h GLU 179 CO -0.06 0.63 0.13 0.74 -1.00 0.00 0.00 179.01 179.45 2g18 h PHE 180 N 0.64 0.23 -0.91 4.33 -1.00 -0.64 -1.35 116.94 118.25 2g18 h PHE 180 Ca 0.16 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.95 2g18 h PHE 180 Cb 0.17 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 2g18 h PHE 180 CO -0.00 0.08 0.50 -0.07 -1.61 0.00 0.00 178.31 177.21 2g18 h LEU 181 N 0.29 1.13 -0.45 1.54 3.38 -0.83 0.78 115.31 121.15 2g18 h LEU 181 Ca 0.19 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2g18 h LEU 181 Cb 0.19 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2g18 h LEU 181 CO -0.21 0.90 -0.01 1.56 0.09 0.00 0.00 178.44 180.78 2g18 h GLN 182 N 1.27 0.80 -0.45 1.13 4.20 -0.36 0.72 115.11 122.42 2g18 h GLN 182 Ca 0.32 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2g18 h GLN 182 Cb 0.02 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2g18 h GLN 182 CO -0.05 0.87 0.05 0.28 -0.67 0.00 0.00 178.83 179.30 2g18 h VAL 183 N 0.65 1.25 -0.56 -0.54 2.07 -1.09 -1.68 116.25 116.36 2g18 h VAL 183 Ca 0.13 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 2g18 h VAL 183 Cb 0.51 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2g18 h VAL 183 CO 0.02 0.33 0.24 -0.74 0.02 0.00 0.00 177.57 177.44 2g18 h HIS 184 N 0.61 0.83 -0.67 1.57 -0.00 -0.60 -0.53 115.15 116.37 2g18 h HIS 184 Ca 0.13 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 2g18 h HIS 184 Cb 0.42 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 2g18 h HIS 184 CO 0.03 0.66 0.19 0.00 -0.00 0.00 0.00 177.93 178.81 2g18 h GLN 186 N 0.99 0.93 -0.60 0.00 4.20 -1.18 -1.36 115.11 118.10 2g18 h GLN 186 Ca 0.21 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.69 2g18 h GLN 186 Cb 0.34 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2g18 h GLN 186 CO -0.00 0.88 0.40 0.78 -0.67 0.00 0.00 178.83 180.22 2g18 h GLY 187 N 1.01 0.85 1.03 3.46 0.00 -0.53 -2.49 103.07 106.39 2g18 h GLY 187 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2g18 h GLY 187 CO 0.01 0.30 0.21 0.00 0.00 0.00 0.00 176.54 177.07 2g18 h ALA 188 N 1.22 0.87 0.00 3.60 0.00 -0.30 -2.56 119.26 122.09 2g18 h ALA 188 Ca 0.22 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2g18 h ALA 188 Cb -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2g18 h ALA 188 CO -0.05 0.55 -0.61 0.82 0.00 0.00 0.00 179.25 179.96 2g18 h ILE 189 N 0.97 1.29 -0.00 0.00 2.04 -1.20 -2.55 117.51 118.06 2g18 h ILE 189 Ca 0.21 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.88 2g18 h ILE 189 Cb 0.30 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2g18 h ILE 189 CO -0.01 0.60 -0.28 0.00 0.00 0.00 0.00 178.15 178.46 2g18 n ALA 190 N -2.36 3.05 -1.95 1.87 0.00 -0.94 -4.94 120.51 115.23 2g18 n ALA 190 Ca -0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 2g18 n ALA 190 Cb 0.65 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2g18 n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g18 s ALA 191 N -2.92 3.33 0.07 0.00 0.00 -0.96 -5.06 121.76 116.22 2g18 s ALA 191 Ca 0.15 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.83 2g18 s ALA 191 Cb 0.18 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2g18 s ALA 191 CO 0.61 0.02 0.00 -1.12 0.00 0.00 0.00 175.76 175.27 2g18 s SER 192 N -0.63 5.05 0.26 0.00 0.01 -1.26 -5.05 113.70 112.07 2g18 s SER 192 Ca 0.45 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 2g18 s SER 192 Cb -0.27 -1.23 -0.14 0.00 0.21 0.00 0.00 66.02 64.60 2g18 s SER 192 CO 0.33 0.20 1.28 -2.65 0.41 0.00 0.00 173.24 172.81 2g18 n PRO 193 N 0.73 1.82 -2.33 12.44 -0.02 -1.26 -4.66 135.00 141.73 2g18 n PRO 193 Ca -0.11 0.64 -0.26 0.00 -2.02 0.00 0.00 63.50 61.75 2g18 n PRO 193 Cb 0.52 -2.21 0.15 0.00 -0.02 0.00 0.00 33.50 31.94 2g18 n PRO 193 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2g18 s VAL 194 N -0.48 2.03 1.23 -1.45 -7.23 0.01 -5.02 120.40 109.49 2g18 s VAL 194 Ca 0.64 -0.35 -0.20 0.00 -1.81 0.00 0.00 61.98 60.25 2g18 s VAL 194 Cb -0.67 -2.67 0.30 0.00 0.56 0.00 0.00 36.38 33.90 2g18 s VAL 194 CO 0.55 0.00 1.13 -0.94 -0.31 0.00 0.00 175.10 175.52 2g18 s SER 195 N -4.85 0.71 0.23 4.85 1.04 -1.26 -4.87 113.70 109.55 2g18 s SER 195 Ca 0.71 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.70 2g18 s SER 195 Cb -0.04 -0.63 0.21 0.00 0.10 0.00 0.00 66.02 65.66 2g18 s SER 195 CO 0.49 -4.24 1.52 0.00 0.98 0.00 0.00 173.24 171.99 2g18 h ALA 196 N -2.66 0.80 -0.26 5.32 0.00 -2.00 -2.65 119.26 117.81 2g18 h ALA 196 Ca -0.43 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 53.76 2g18 h ALA 196 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2g18 h ALA 196 CO 0.29 0.83 -0.24 1.49 0.00 0.00 0.00 179.25 181.62 2g18 h GLU 197 N 0.07 0.62 -0.85 0.00 4.81 -2.02 -3.01 114.58 114.21 2g18 h GLU 197 Ca -0.01 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2g18 h GLU 197 Cb 1.23 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 2g18 h GLU 197 CO 0.10 0.92 0.53 1.96 -0.73 0.00 0.00 179.01 181.79 2g18 h GLN 198 N 0.34 1.14 -0.89 1.92 4.20 -1.94 -3.06 115.11 116.82 2g18 h GLN 198 Ca 0.04 -0.09 0.13 0.00 0.06 0.00 0.00 58.65 58.79 2g18 h GLN 198 Cb 0.80 -0.25 -0.07 0.00 0.30 0.00 0.00 27.48 28.26 2g18 h GLN 198 CO 0.06 0.79 0.57 -0.22 -0.67 0.00 0.00 178.83 179.36 2g18 h LYS 199 N 1.16 0.73 -0.38 1.46 3.64 -1.34 -0.90 116.57 120.94 2g18 h LYS 199 Ca 0.31 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 2g18 h LYS 199 Cb -0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2g18 h LYS 199 CO -0.06 0.48 -0.27 1.96 -2.27 0.00 0.00 179.45 179.29 2g18 h GLN 200 N 0.75 0.85 -0.26 1.90 1.08 -1.46 0.20 115.11 118.18 2g18 h GLN 200 Ca 0.44 -0.41 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2g18 h GLN 200 Cb 0.63 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 2g18 h GLN 200 CO -0.20 1.05 0.01 1.96 -0.95 0.00 0.00 178.83 180.70 2g18 h GLN 201 N 0.66 0.09 -0.52 1.46 4.20 -1.17 -0.82 115.11 119.00 2g18 h GLN 201 Ca 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2g18 h GLN 201 Cb 0.84 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2g18 h GLN 201 CO 0.07 0.06 0.29 0.82 -0.67 0.00 0.00 178.83 179.40 2g18 h ILE 202 N 0.09 1.17 -0.78 2.54 2.04 -0.97 -1.38 117.51 120.22 2g18 h ILE 202 Ca 0.12 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.62 2g18 h ILE 202 Cb 0.15 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2g18 h ILE 202 CO -0.20 0.18 0.46 0.25 0.00 0.00 0.00 178.15 178.84 2g18 h LEU 203 N 0.69 0.68 -0.44 1.44 5.85 -0.25 -1.47 115.31 121.82 2g18 h LEU 203 Ca 0.18 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 2g18 h LEU 203 Cb 0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2g18 h LEU 203 CO -0.03 0.43 0.08 0.00 -0.34 0.00 0.00 178.44 178.58 2g18 h ALA 204 N 1.40 0.58 -0.28 1.25 0.00 -0.41 -0.81 119.26 120.99 2g18 h ALA 204 Ca 0.35 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2g18 h ALA 204 Cb 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2g18 h ALA 204 CO -0.20 0.29 -0.08 0.78 0.00 0.00 0.00 179.25 180.04 2g18 h GLY 205 N 0.59 0.18 0.98 0.00 0.00 -0.68 0.17 103.07 104.30 2g18 h GLY 205 Ca 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2g18 h GLY 205 CO 0.01 -0.12 0.25 1.46 0.00 0.00 0.00 176.54 178.14 2g18 h GLN 206 N -0.02 0.73 -0.66 4.80 4.20 -1.21 -1.58 115.11 121.37 2g18 h GLN 206 Ca 0.14 -0.11 0.12 0.00 0.06 0.00 0.00 58.65 58.87 2g18 h GLN 206 Cb 0.23 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 27.79 2g18 h GLN 206 CO -0.30 0.61 0.19 1.25 -0.67 0.00 0.00 178.83 179.91 2g18 h HIS 207 N 0.68 0.32 -0.24 2.96 2.76 -0.82 0.89 115.15 121.70 2g18 h HIS 207 Ca 0.18 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 2g18 h HIS 207 Cb 0.11 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 2g18 h HIS 207 CO -0.01 0.00 -0.16 -0.97 -1.30 0.00 0.00 177.93 175.49 2g18 h ASN 208 N 0.33 0.56 -0.40 3.26 -0.73 -0.63 -1.38 115.58 116.59 2g18 h ASN 208 Ca 0.35 -0.44 -0.00 0.00 1.87 0.00 0.00 56.30 58.08 2g18 h ASN 208 Cb 0.53 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 2g18 h ASN 208 CO -0.41 0.88 0.25 0.22 -0.37 0.00 0.00 177.43 178.00 2g18 h TYR 209 N 0.24 0.52 -0.57 0.67 3.20 -0.78 -2.11 116.97 118.14 2g18 h TYR 209 Ca 0.05 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 2g18 h TYR 209 Cb 0.69 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 2g18 h TYR 209 CO 0.07 0.36 0.09 0.00 -1.64 0.00 0.00 178.16 177.04 2g18 h SER 211 N 0.85 0.89 -0.48 0.00 4.64 -1.13 -0.42 113.55 117.90 2g18 h SER 211 Ca 0.17 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2g18 h SER 211 Cb 0.42 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2g18 h SER 211 CO 0.01 0.96 0.26 0.11 -0.87 0.00 0.00 176.83 177.30 2g18 h LYS 212 N 0.80 0.68 -0.58 4.77 1.79 -1.36 -0.37 116.57 122.29 2g18 h LYS 212 Ca 0.16 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2g18 h LYS 212 Cb 0.48 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2g18 h LYS 212 CO 0.02 0.54 0.30 1.96 -1.08 0.00 0.00 179.45 181.19 2g18 h GLN 213 N 0.64 0.82 -0.18 3.15 1.08 -1.22 -2.35 115.11 117.05 2g18 h GLN 213 Ca 0.17 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2g18 h GLN 213 Cb 0.07 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2g18 h GLN 213 CO -0.03 0.65 0.02 1.96 -0.95 0.00 0.00 178.83 180.48 2g18 h GLN 214 N 0.79 0.09 -0.03 1.46 4.20 -0.72 0.19 115.11 121.07 2g18 h GLN 214 Ca 0.20 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.92 2g18 h GLN 214 Cb 0.08 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2g18 h GLN 214 CO -0.03 0.06 0.05 1.96 -0.67 0.00 0.00 178.83 180.20 2g18 h GLN 215 N 0.09 0.00 0.00 1.46 4.20 -0.79 -3.35 115.11 116.71 2g18 h GLN 215 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2g18 h GLN 215 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2g18 h GLN 215 CO -0.12 0.00 -0.42 0.09 -0.67 0.00 0.00 178.83 177.71 2g18 n ASN 216 N -3.61 2.12 -4.73 1.46 3.02 -0.91 -5.05 115.26 107.56 2g18 n ASN 216 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2g18 n ASN 216 Cb 0.14 0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.69 2g18 n ASN 216 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2g18 n ASP 217 N -0.69 3.47 -0.05 6.41 -0.08 0.62 -4.89 116.55 121.33 2g18 n ASP 217 Ca 0.00 1.18 0.13 0.00 -1.51 0.00 0.00 54.79 54.59 2g18 n ASP 217 Cb 0.02 -1.55 0.47 0.00 2.34 0.00 0.00 41.12 42.41 2g18 n ASP 217 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2g18 n LYS 218 N 1.45 0.26 0.25 -0.67 5.02 -1.26 -3.52 118.16 119.70 2g18 n LYS 218 Ca 0.07 -0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.39 2g18 n LYS 218 Cb 0.36 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.49 2g18 n LYS 218 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2g18 h THR 219 N 0.25 0.38 -0.85 -0.18 1.35 -1.99 -2.91 112.91 108.95 2g18 h THR 219 Ca 0.00 -0.78 0.15 0.00 -0.55 0.00 0.00 66.41 65.23 2g18 h THR 219 Cb 0.46 1.57 -0.15 0.00 -1.73 0.00 0.00 68.15 68.30 2g18 h THR 219 CO 0.00 0.13 -0.31 -0.09 -0.25 0.00 0.00 175.52 175.00 2g18 h ARG 220 N 0.00 -0.04 -0.76 4.72 2.43 -1.95 -0.61 114.38 118.16 2g18 h ARG 220 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2g18 h ARG 220 Cb 0.56 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2g18 h ARG 220 CO 0.02 -0.03 0.36 -0.09 -1.51 0.00 0.00 179.97 178.72 2g18 h ARG 221 N -0.04 1.10 -0.69 0.20 2.43 -1.80 0.12 114.38 115.71 2g18 h ARG 221 Ca 0.35 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2g18 h ARG 221 Cb 0.60 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2g18 h ARG 221 CO -0.88 0.86 0.40 0.28 -1.51 0.00 0.00 179.97 179.12 2g18 h VAL 222 N 1.08 1.21 -0.06 0.20 2.07 -1.51 -2.15 116.25 117.08 2g18 h VAL 222 Ca 0.26 -0.49 -0.18 0.00 0.82 0.00 0.00 66.70 67.11 2g18 h VAL 222 Cb 0.13 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2g18 h VAL 222 CO -0.03 0.22 -0.72 -0.07 0.02 0.00 0.00 177.57 176.99 2g18 h LEU 223 N 0.94 0.39 -0.53 2.57 3.38 -0.02 -2.32 115.31 119.72 2g18 h LEU 223 Ca 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2g18 h LEU 223 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2g18 h LEU 223 CO -0.04 0.98 0.28 -0.33 0.09 0.00 0.00 178.44 179.41 2g18 h GLU 224 N 0.22 0.75 0.00 1.13 5.08 -0.67 -0.26 114.58 120.84 2g18 h GLU 224 Ca -0.03 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2g18 h GLU 224 Cb 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2g18 h GLU 224 CO 0.12 0.60 -0.27 0.87 -1.00 0.00 0.00 179.01 179.34 2g18 h LYS 225 N 0.71 0.00 0.14 2.33 1.57 -1.28 0.37 116.57 120.42 2g18 h LYS 225 Ca 0.19 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.63 2g18 h LYS 225 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2g18 h LYS 225 CO -0.03 0.27 -1.69 0.00 -0.57 0.00 0.00 179.45 177.43 2g18 h ALA 226 N 1.73 0.28 0.00 3.86 0.00 -1.00 -3.43 119.26 120.69 2g18 h ALA 226 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2g18 h ALA 226 Cb 0.57 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2g18 h ALA 226 CO 0.03 1.14 0.00 1.19 0.00 0.00 0.00 179.25 181.62 2g18 n PHE 227 N -3.49 0.00 0.00 0.00 3.01 -0.14 -4.69 117.46 112.15 2g18 n PHE 227 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2g18 n PHE 227 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.53 2g18 n PHE 227 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2g18 n GLY 228 N 0.11 1.87 0.24 1.37 0.00 0.13 -4.58 105.19 104.33 2g18 n GLY 228 Ca 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 2g18 n GLY 228 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2g18 h VAL 229 N 0.00 1.23 -0.10 1.61 2.07 -1.90 -2.62 116.25 116.54 2g18 h VAL 229 Ca 0.00 -0.79 -0.16 0.00 0.82 0.00 0.00 66.70 66.57 2g18 h VAL 229 Cb 0.00 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2g18 h VAL 229 CO 0.00 0.29 -0.57 0.44 0.02 0.00 0.00 177.57 177.75 2g18 h ASP 230 N 0.70 0.68 -0.51 0.57 5.19 -1.96 -0.10 116.42 120.99 2g18 h ASP 230 Ca 0.16 -0.65 0.05 0.00 -0.62 0.00 0.00 57.03 55.97 2g18 h ASP 230 Cb 0.28 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 2g18 h ASP 230 CO -0.00 1.22 0.25 -0.25 -3.12 0.00 0.00 179.24 177.34 2g18 h TRP 231 N 0.19 0.46 -0.66 4.55 7.01 -1.80 0.12 115.95 125.82 2g18 h TRP 231 Ca -0.04 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 2g18 h TRP 231 Cb 1.22 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 28.12 2g18 h TRP 231 CO 0.11 0.22 0.21 0.00 -2.79 0.00 0.00 178.44 176.18 2g18 h ALA 232 N 1.28 0.87 -0.43 2.65 0.00 -1.31 -0.85 119.26 121.47 2g18 h ALA 232 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2g18 h ALA 232 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2g18 h ALA 232 CO -0.17 0.54 0.27 1.49 0.00 0.00 0.00 179.25 181.39 2g18 h GLU 233 N 0.96 0.57 -0.44 0.00 4.57 -0.21 -1.09 114.58 118.94 2g18 h GLU 233 Ca 0.21 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2g18 h GLU 233 Cb 0.30 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2g18 h GLU 233 CO -0.01 0.39 0.04 -0.97 -1.18 0.00 0.00 179.01 177.28 2g18 h ASN 234 N 0.57 0.65 -0.21 1.04 -0.73 -0.53 -2.25 115.58 114.12 2g18 h ASN 234 Ca 0.16 -0.13 -0.12 0.00 1.87 0.00 0.00 56.30 58.08 2g18 h ASN 234 Cb -0.04 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.38 2g18 h ASN 234 CO -0.03 0.69 -0.33 0.22 -0.37 0.00 0.00 177.43 177.61 2g18 h TYR 235 N 0.66 0.73 -0.85 0.67 3.20 -0.71 -1.37 116.97 119.30 2g18 h TYR 235 Ca 0.14 -0.25 0.08 0.00 3.14 0.00 0.00 58.73 61.84 2g18 h TYR 235 Cb 0.36 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.41 2g18 h TYR 235 CO 0.02 0.98 0.51 0.52 -1.64 0.00 0.00 178.16 178.55 2g18 h MET 236 N 0.27 0.85 0.00 1.82 2.86 -1.05 0.76 114.93 120.45 2g18 h MET 236 Ca 0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2g18 h MET 236 Cb 0.91 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2g18 h MET 236 CO 0.08 0.56 -1.16 0.25 1.06 0.00 0.00 176.91 177.70 2g18 n THR 237 N -4.69 0.38 -0.00 2.22 -2.24 -0.86 -1.36 114.28 107.72 2g18 n THR 237 Ca 0.14 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.49 2g18 n THR 237 Cb 0.25 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 2g18 n THR 237 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2g18 n THR 238 N -2.38 0.03 -0.11 4.28 -2.24 -0.52 -3.74 114.28 109.61 2g18 n THR 238 Ca 0.00 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.45 2g18 n THR 238 Cb 0.52 0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 2g18 n THR 238 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2g18 n VAL 239 N -1.70 1.29 -0.07 2.28 0.31 0.19 -4.64 118.33 115.98 2g18 n VAL 239 Ca -0.01 -0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 2g18 n VAL 239 Cb 0.17 -1.85 -0.13 0.00 -0.91 0.00 0.00 33.84 31.12 2g18 n VAL 239 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2g18 h LEU 240 N -0.84 0.02 -5.59 7.52 3.38 -1.45 -3.42 115.31 114.94 2g18 h LEU 240 Ca -0.54 -0.87 -0.46 0.00 0.09 0.00 0.00 57.88 56.10 2g18 h LEU 240 Cb 1.46 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.80 2g18 h LEU 240 CO -0.33 1.15 -1.14 0.49 0.09 0.00 0.00 178.44 178.70 2g18 n PHE 241 N -4.54 0.90 -2.20 1.13 3.72 -0.47 -5.01 117.46 111.00 2g18 n PHE 241 Ca -0.16 -3.50 -0.41 0.00 -0.05 0.00 0.00 57.45 53.33 2g18 n PHE 241 Cb 0.55 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2g18 n PHE 241 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2g18 s ASP 242 N -2.76 6.89 0.43 4.37 -4.77 -1.24 -4.72 116.67 114.85 2g18 s ASP 242 Ca 0.37 2.57 -0.25 0.00 -3.30 0.00 0.00 52.55 51.95 2g18 s ASP 242 Cb 0.38 -2.64 -0.08 0.00 -1.09 0.00 0.00 42.92 39.49 2g18 s ASP 242 CO -0.05 -0.45 1.28 -0.76 0.70 0.00 0.00 175.17 175.88 2g18 s LEU 243 N -1.54 4.15 0.53 2.11 1.43 -1.26 -4.92 118.68 119.18 2g18 s LEU 243 Ca 0.49 2.60 0.21 0.00 -1.03 0.00 0.00 54.13 56.40 2g18 s LEU 243 Cb -0.38 -3.99 1.35 0.00 0.03 0.00 0.00 46.19 43.20 2g18 s LEU 243 CO 0.49 -0.92 2.07 1.55 0.23 0.00 0.00 176.35 179.77 2g18 h PRO 244 N 2.48 0.00 0.00 1.29 0.13 -1.92 -3.52 132.00 130.46 2g18 h PRO 244 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2g18 h PRO 244 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2g18 h PRO 244 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78