#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 0.64 0.08 0.54 4.04 -1.26 -5.14 118.70 117.61 2g18 s GLU -1 Ca 0.00 1.03 -0.31 0.00 0.04 0.00 0.00 54.97 55.74 2g18 s GLU -1 Cb 0.00 0.16 -0.08 0.00 0.02 0.00 0.00 34.13 34.24 2g18 s GLU -1 CO 0.00 -0.12 1.46 0.12 -1.84 0.00 0.00 175.26 174.88 2g18 s PHE 0 N 1.34 2.98 -0.09 4.83 5.36 -1.26 -5.01 117.98 126.14 2g18 s PHE 0 Ca -0.08 0.77 0.03 0.00 -0.96 0.00 0.00 56.93 56.69 2g18 s PHE 0 Cb -0.05 -3.75 0.01 0.00 -0.34 0.00 0.00 43.02 38.89 2g18 s PHE 0 CO -0.16 -2.77 -0.17 0.42 -1.46 0.00 0.00 175.22 171.08 2g18 s ILE 1 N 1.69 1.55 -0.32 3.12 -1.09 -1.26 -5.10 121.20 119.79 2g18 s ILE 1 Ca 0.67 -0.71 -0.02 0.00 -2.23 0.00 0.00 60.65 58.36 2g18 s ILE 1 Cb -0.37 -1.38 0.12 0.00 -1.58 0.00 0.00 42.46 39.25 2g18 s ILE 1 CO 0.30 0.45 0.17 -0.94 -1.23 0.00 0.00 174.94 173.68 2g18 s SER 2 N 0.62 3.28 0.02 3.58 1.04 -1.26 -5.13 113.70 115.85 2g18 s SER 2 Ca -0.14 -1.74 -0.01 0.00 0.48 0.00 0.00 55.95 54.54 2g18 s SER 2 Cb -0.16 -0.39 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 2g18 s SER 2 CO 0.04 -0.38 0.18 -0.76 0.98 0.00 0.00 173.24 173.31 2g18 s LEU 3 N 1.58 4.31 -0.09 2.42 1.43 -1.26 -5.07 118.68 122.00 2g18 s LEU 3 Ca 0.13 0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 2g18 s LEU 3 Cb -0.19 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2g18 s LEU 3 CO -0.18 0.22 0.51 -0.89 0.23 0.00 0.00 176.35 176.24 2g18 s THR 4 N -1.39 5.13 -0.15 5.49 2.01 -1.26 -5.05 115.64 120.43 2g18 s THR 4 Ca 0.30 1.02 -0.03 0.00 0.31 0.00 0.00 61.69 63.29 2g18 s THR 4 Cb -0.13 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2g18 s THR 4 CO 0.22 0.35 -0.06 -0.94 -0.69 0.00 0.00 174.62 173.50 2g18 s SER 5 N 0.43 4.59 0.22 3.53 1.04 -1.26 -5.10 113.70 117.16 2g18 s SER 5 Ca 0.27 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.60 2g18 s SER 5 Cb -0.16 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.19 2g18 s SER 5 CO 0.12 0.18 -0.12 0.27 0.98 0.00 0.00 173.24 174.66 2g18 s ILE 6 N 0.31 1.71 0.61 -1.02 -4.36 -1.26 -5.13 121.20 112.06 2g18 s ILE 6 Ca -0.05 -2.19 -0.18 0.00 -0.26 0.00 0.00 60.65 57.96 2g18 s ILE 6 Cb -0.15 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 2g18 s ILE 6 CO 0.04 -0.52 1.23 -2.84 0.24 0.00 0.00 174.94 173.09 2g18 s PRO 7 N -3.67 2.84 0.41 0.37 0.02 -1.26 -4.96 135.00 128.75 2g18 s PRO 7 Ca 0.24 1.89 -0.26 0.00 0.02 0.00 0.00 61.00 62.89 2g18 s PRO 7 Cb 0.00 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 2g18 s PRO 7 CO 0.08 -1.33 1.31 0.45 -0.33 0.00 0.00 177.00 177.19 2g18 s SER 8 N -1.55 6.29 0.53 2.53 0.15 -1.26 -4.89 113.70 115.50 2g18 s SER 8 Ca 0.79 2.67 0.31 0.00 0.70 0.00 0.00 55.95 60.41 2g18 s SER 8 Cb -0.32 -2.64 1.45 0.00 -1.71 0.00 0.00 66.02 62.80 2g18 s SER 8 CO 0.35 -0.86 1.88 0.25 1.20 0.00 0.00 173.24 176.06 2g18 h LEU 9 N 2.67 0.04 -2.73 3.45 5.85 -1.98 -2.48 115.31 120.13 2g18 h LEU 9 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2g18 h LEU 9 Cb 1.25 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2g18 h LEU 9 CO 0.62 0.01 0.07 0.08 -0.34 0.00 0.00 178.44 178.89 2g18 h ARG 10 N 0.04 0.00 0.00 1.25 0.11 -1.96 0.32 114.38 114.13 2g18 h ARG 10 Ca 0.44 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.49 2g18 h ARG 10 Cb 1.69 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.77 2g18 h ARG 10 CO -0.02 0.00 -0.13 0.93 0.10 0.00 0.00 179.97 180.85 2g18 h GLU 11 N 0.00 0.00 -0.29 0.08 4.39 -1.83 -2.86 114.58 114.07 2g18 h GLU 11 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2g18 h GLU 11 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2g18 h GLU 11 CO -0.00 0.13 0.00 1.04 -1.16 0.00 0.00 179.01 179.02 2g18 n GLN 12 N -3.30 2.20 -3.89 2.33 6.02 0.10 -4.99 117.38 115.85 2g18 n GLN 12 Ca 0.00 -1.80 -0.22 0.00 -0.01 0.00 0.00 57.00 54.97 2g18 n GLN 12 Cb 0.36 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.63 2.56 0.21 -1.09 -0.21 -1.08 -5.06 119.66 113.36 2g18 s GLN 13 Ca 0.36 -1.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.01 2g18 s GLN 13 Cb 0.20 -2.34 -0.16 0.00 1.00 0.00 0.00 33.01 31.72 2g18 s GLN 13 CO 0.29 0.06 0.81 1.58 -2.12 0.00 0.00 175.29 175.91 2g18 n HIS 14 N -1.31 0.42 -0.02 0.91 -0.00 -1.26 -4.69 115.22 109.28 2g18 n HIS 14 Ca -0.02 0.85 0.09 0.00 -0.00 0.00 0.00 57.72 58.65 2g18 n HIS 14 Cb 0.61 -2.11 0.50 0.00 -0.00 0.00 0.00 29.99 28.99 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 1.78 0.38 -0.23 1.57 0.11 -1.97 -1.42 132.00 132.22 2g18 h PRO 15 Ca -0.35 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 2g18 h PRO 15 Cb 1.39 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2g18 h PRO 15 CO 0.60 0.25 -0.41 1.25 -0.21 0.00 0.00 178.00 179.49 2g18 h LEU 16 N 0.39 0.58 -0.08 2.35 5.85 -1.99 -0.77 115.31 121.64 2g18 h LEU 16 Ca 0.21 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2g18 h LEU 16 Cb 0.32 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2g18 h LEU 16 CO -0.05 0.92 0.05 0.40 -0.34 0.00 0.00 178.44 179.41 2g18 h ILE 17 N 0.45 1.05 -0.51 4.05 2.04 -1.62 0.63 117.51 123.60 2g18 h ILE 17 Ca 0.04 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2g18 h ILE 17 Cb 0.90 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 2g18 h ILE 17 CO 0.08 0.05 0.19 -0.09 0.00 0.00 0.00 178.15 178.37 2g18 h ARG 18 N 0.07 0.36 -0.37 2.37 1.12 -1.27 0.14 114.38 116.80 2g18 h ARG 18 Ca 0.03 -0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.76 2g18 h ARG 18 Cb 0.03 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 2g18 h ARG 18 CO -0.01 0.24 -0.22 1.96 -3.11 0.00 0.00 179.97 178.83 2g18 h GLN 19 N 0.37 0.80 -0.46 0.20 4.20 -0.94 -1.86 115.11 117.41 2g18 h GLN 19 Ca 0.24 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 2g18 h GLN 19 Cb 0.26 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2g18 h GLN 19 CO -0.24 0.99 0.18 1.25 -0.67 0.00 0.00 178.83 180.34 2g18 h LEU 20 N 0.59 0.64 -0.07 1.46 5.85 -0.60 -1.11 115.31 122.08 2g18 h LEU 20 Ca 0.08 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2g18 h LEU 20 Cb 0.78 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2g18 h LEU 20 CO 0.06 0.64 -0.01 0.00 -0.34 0.00 0.00 178.44 178.79 2g18 h ALA 21 N 1.03 0.05 -0.73 1.25 0.00 -0.62 0.14 119.26 120.37 2g18 h ALA 21 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2g18 h ALA 21 Cb 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2g18 h ALA 21 CO -0.01 -0.48 0.38 -0.44 0.00 0.00 0.00 179.25 178.70 2g18 h ASP 22 N 0.01 0.91 -0.12 0.00 3.32 -1.27 -1.79 116.42 117.49 2g18 h ASP 22 Ca 0.03 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 2g18 h ASP 22 Cb 0.05 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2g18 h ASP 22 CO -0.06 0.75 -0.14 0.00 -1.72 0.00 0.00 179.24 178.07 2g18 h ILE 24 N -0.10 0.74 -0.25 0.00 2.04 -0.78 -1.74 117.51 117.41 2g18 h ILE 24 Ca 0.02 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 2g18 h ILE 24 Cb 0.67 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2g18 h ILE 24 CO 0.03 0.05 -0.42 -0.33 0.00 0.00 0.00 178.15 177.48 2g18 h GLU 25 N 0.26 0.61 -0.51 2.37 5.08 -1.28 -1.34 114.58 119.77 2g18 h GLU 25 Ca 0.25 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2g18 h GLU 25 Cb 0.32 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2g18 h GLU 25 CO -0.31 0.92 0.12 1.49 -1.00 0.00 0.00 179.01 180.24 2g18 h GLU 26 N 0.50 0.82 -0.48 2.33 4.81 -0.74 -1.44 114.58 120.39 2g18 h GLU 26 Ca 0.04 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 2g18 h GLU 26 Cb 0.94 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2g18 h GLU 26 CO 0.08 0.79 -0.13 0.28 -0.73 0.00 0.00 179.01 179.30 2g18 h VAL 27 N 0.71 1.27 -0.52 0.32 2.07 -1.10 -1.07 116.25 117.94 2g18 h VAL 27 Ca 0.16 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.48 2g18 h VAL 27 Cb 0.34 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2g18 h VAL 27 CO 0.00 0.44 0.19 -0.50 0.02 0.00 0.00 177.57 177.72 2g18 h TRP 28 N 0.78 0.33 -0.01 1.57 6.55 -1.05 -1.88 115.95 122.24 2g18 h TRP 28 Ca 0.12 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.85 2g18 h TRP 28 Cb 0.69 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.90 2g18 h TRP 28 CO 0.05 0.10 -0.62 0.45 -1.05 0.00 0.00 178.44 177.38 2g18 h HIS 29 N 0.37 0.07 -0.13 0.49 3.86 -0.97 -0.59 115.15 118.24 2g18 h HIS 29 Ca 0.25 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.24 2g18 h HIS 29 Cb 0.27 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2g18 h HIS 29 CO -0.16 0.65 -0.72 0.37 0.86 0.00 0.00 177.93 178.93 2g18 h GLN 30 N 0.04 0.58 0.00 2.45 4.15 -0.68 -3.38 115.11 118.26 2g18 h GLN 30 Ca -0.01 -0.46 -0.05 0.00 0.77 0.00 0.00 58.65 58.91 2g18 h GLN 30 Cb 1.10 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2g18 h GLN 30 CO 0.08 1.08 -1.55 0.72 -1.93 0.00 0.00 178.83 177.23 2g18 n HIS 31 N -3.89 0.00 -4.27 3.99 8.25 -0.75 -5.04 115.22 113.51 2g18 n HIS 31 Ca -0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 2g18 n HIS 31 Cb 0.71 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 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 -4.03 3.20 -0.81 2.41 1.43 -0.24 -5.02 118.68 115.63 2g18 s LEU 32 Ca -0.04 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 2g18 s LEU 32 Cb 0.06 -1.71 0.18 0.00 0.03 0.00 0.00 46.19 44.75 2g18 s LEU 32 CO 0.44 -0.04 0.82 -0.62 0.23 0.00 0.00 176.35 177.18 2g18 s ASP 33 N -3.70 6.63 -0.03 2.29 2.15 -1.26 -4.69 116.67 118.07 2g18 s ASP 33 Ca 0.32 -2.36 -0.26 0.00 0.43 0.00 0.00 52.55 50.69 2g18 s ASP 33 Cb -0.06 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 2g18 s ASP 33 CO 0.20 -0.76 0.80 -0.76 -0.17 0.00 0.00 175.17 174.49 2g18 s LEU 34 N 1.09 4.36 0.18 -1.34 1.43 -1.26 -4.44 118.68 118.69 2g18 s LEU 34 Ca 0.20 1.39 0.09 0.00 -1.03 0.00 0.00 54.13 54.77 2g18 s LEU 34 Cb -0.12 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2g18 s LEU 34 CO -0.07 -0.14 -0.19 -0.44 0.23 0.00 0.00 176.35 175.74 2g18 s SER 35 N 0.74 2.84 0.59 2.29 0.01 -0.11 -4.97 113.70 115.08 2g18 s SER 35 Ca 0.43 -0.89 -0.19 0.00 1.31 0.00 0.00 55.95 56.60 2g18 s SER 35 Cb -0.19 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2g18 s SER 35 CO 0.22 -0.02 1.20 -2.16 0.41 0.00 0.00 173.24 172.88 2g18 s PRO 36 N -2.94 3.00 -0.12 12.44 0.04 -1.26 -0.54 135.00 145.62 2g18 s PRO 36 Ca 0.18 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.03 2g18 s PRO 36 Cb -0.05 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2g18 s PRO 36 CO 0.08 -1.18 -0.17 -0.47 0.04 0.00 0.00 177.00 175.30 2g18 s TYR 37 N -1.63 2.21 -0.18 0.56 5.04 -0.87 -4.44 117.35 118.03 2g18 s TYR 37 Ca 0.77 -1.09 -0.08 0.00 -2.44 0.00 0.00 57.07 54.23 2g18 s TYR 37 Cb -0.29 -1.56 -0.04 0.00 0.35 0.00 0.00 41.96 40.41 2g18 s TYR 37 CO 0.33 -0.54 0.07 -1.01 -1.34 0.00 0.00 175.55 173.06 2g18 s HIS 38 N 0.99 3.28 0.29 4.97 3.76 -1.26 -4.44 115.29 122.87 2g18 s HIS 38 Ca -0.05 0.13 0.04 0.00 -0.15 0.00 0.00 55.06 55.02 2g18 s HIS 38 Cb -0.15 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2g18 s HIS 38 CO -0.03 0.20 0.43 -0.51 -0.85 0.00 0.00 174.74 173.99 2g18 s LEU 39 N 0.29 4.17 0.05 0.89 1.43 -1.26 -5.06 118.68 119.19 2g18 s LEU 39 Ca 0.04 0.13 -0.38 0.00 -1.03 0.00 0.00 54.13 52.89 2g18 s LEU 39 Cb -0.12 -2.96 -0.18 0.00 0.03 0.00 0.00 46.19 42.95 2g18 s LEU 39 CO -0.00 -0.20 1.18 -2.65 0.23 0.00 0.00 176.35 174.91 2g18 n PRO 40 N -1.56 0.54 0.04 1.29 -0.02 -1.26 -4.81 135.00 129.22 2g18 n PRO 40 Ca -0.06 0.19 0.20 0.00 -2.02 0.00 0.00 63.50 61.81 2g18 n PRO 40 Cb 0.57 -1.75 0.72 0.00 -0.02 0.00 0.00 33.50 33.02 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 3.66 2.35 0.00 3.55 0.00 -2.01 0.86 119.26 127.68 2g18 h ALA 41 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2g18 h ALA 41 Cb 1.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2g18 h ALA 41 CO 0.71 -0.63 0.00 -1.91 0.00 0.00 0.00 179.25 177.42 2g18 n GLU 42 N -4.17 0.13 0.00 0.00 2.13 -1.26 -2.98 120.64 114.48 2g18 n GLU 42 Ca 0.09 0.60 0.02 0.00 0.66 0.00 0.00 57.16 58.52 2g18 n GLU 42 Cb 0.59 -1.90 -0.02 0.00 0.27 0.00 0.00 31.44 30.38 2g18 n GLU 42 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2g18 n LEU 43 N -2.17 0.25 0.08 4.31 4.77 0.30 -4.56 117.00 119.98 2g18 n LEU 43 Ca -0.01 -0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 55.42 2g18 n LEU 43 Cb 0.05 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.39 2g18 n LEU 43 CO 0.10 0.06 0.70 1.23 -1.33 0.00 0.00 177.39 178.15 2g18 h GLY 44 N 0.89 0.32 -6.80 -0.72 0.00 -1.49 -3.42 103.07 91.84 2g18 h GLY 44 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 47.33 46.76 2g18 h GLY 44 CO 0.00 0.25 -0.62 -0.47 0.00 0.00 0.00 176.54 175.70 2g18 s TYR 45 N -4.31 -0.24 -0.08 5.60 5.04 -1.26 -0.94 117.35 121.16 2g18 s TYR 45 Ca -0.05 0.52 0.05 0.00 -2.44 0.00 0.00 57.07 55.15 2g18 s TYR 45 Cb 0.14 -0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.18 2g18 s TYR 45 CO 0.77 -0.40 -0.23 0.08 -1.34 0.00 0.00 175.55 174.43 2g18 s VAL 46 N 2.32 1.96 -0.05 3.14 1.01 0.66 -4.92 120.40 124.51 2g18 s VAL 46 Ca 0.04 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2g18 s VAL 46 Cb -0.13 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 2g18 s VAL 46 CO -0.08 0.54 -0.20 -1.61 0.00 0.00 0.00 175.10 173.75 2g18 s GLU 47 N 0.13 2.15 0.00 2.72 2.02 -1.26 -0.89 118.70 123.56 2g18 s GLU 47 Ca -0.11 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2g18 s GLU 47 Cb -0.16 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.26 2g18 s GLU 47 CO 0.06 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.02 2g18 n GLY 48 N 3.14 3.48 2.91 -1.39 0.00 -0.04 -4.99 105.19 108.31 2g18 n GLY 48 Ca -0.18 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 0.13 0.06 -0.17 1.61 1.81 -1.26 -0.44 118.95 120.69 2g18 s ARG 49 Ca 0.00 -0.01 -0.04 0.00 -1.72 0.00 0.00 55.73 53.95 2g18 s ARG 49 Cb 0.00 0.02 0.09 0.00 -0.45 0.00 0.00 34.95 34.61 2g18 s ARG 49 CO 0.00 -0.01 0.29 -1.17 -0.68 0.00 0.00 175.30 173.73 2g18 s LEU 50 N -0.11 -0.34 -1.45 2.53 2.96 0.06 -4.73 118.68 117.60 2g18 s LEU 50 Ca -0.01 0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 54.15 2g18 s LEU 50 Cb -0.01 0.75 0.05 0.00 0.50 0.00 0.00 46.19 47.48 2g18 s LEU 50 CO -0.00 -0.27 1.07 -0.62 -1.32 0.00 0.00 176.35 175.21 2g18 n GLU 51 N 5.35 -6.67 0.00 1.98 -0.58 -1.26 -0.24 120.64 119.22 2g18 n GLU 51 Ca -0.06 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 2g18 n GLU 51 Cb 0.50 -5.69 0.00 0.00 -0.57 0.00 0.00 31.44 25.68 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 -1.84 2.80 3.81 0.62 0.00 -1.26 -5.00 105.19 104.32 2g18 n GLY 52 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 4.32 0.11 1.61 0.41 0.67 -5.02 118.70 120.81 2g18 s GLU 53 Ca 0.00 1.07 -0.31 0.00 -0.41 0.00 0.00 54.97 55.32 2g18 s GLU 53 Cb 0.00 -2.59 -0.07 0.00 -1.78 0.00 0.00 34.13 29.69 2g18 s GLU 53 CO 0.00 0.20 1.30 0.21 -0.49 0.00 0.00 175.26 176.48 2g18 s LYS 54 N -2.49 4.38 -0.15 1.61 2.20 -1.26 -0.76 119.74 123.27 2g18 s LYS 54 Ca 0.52 1.96 -0.03 0.00 -0.36 0.00 0.00 55.97 58.06 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 0.19 -0.33 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.64 2g18 s LEU 55 N 0.83 3.22 -0.03 5.43 0.20 0.41 -0.98 118.68 127.77 2g18 s LEU 55 Ca 0.61 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 55.31 2g18 s LEU 55 Cb -0.34 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.66 2g18 s LEU 55 CO 0.31 0.18 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.62 2g18 s THR 56 N 0.27 0.52 -0.07 3.68 2.01 0.04 -0.86 115.64 121.23 2g18 s THR 56 Ca -0.03 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.80 2g18 s THR 56 Cb -0.14 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.89 2g18 s THR 56 CO 0.03 0.19 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.42 2g18 s ILE 57 N 0.46 1.02 -0.15 1.82 1.01 -0.07 -1.06 121.20 124.22 2g18 s ILE 57 Ca -0.06 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2g18 s ILE 57 Cb -0.10 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.43 2g18 s ILE 57 CO -0.00 0.33 -0.20 -0.70 0.00 0.00 0.00 174.94 174.37 2g18 s GLU 58 N 0.86 3.05 -0.11 2.79 2.12 -0.00 -0.25 118.70 127.15 2g18 s GLU 58 Ca -0.11 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.41 2g18 s GLU 58 Cb -0.15 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 2g18 s GLU 58 CO 0.01 -0.06 -0.19 -0.80 -0.54 0.00 0.00 175.26 173.68 2g18 s ASN 59 N 0.94 3.49 -0.08 -1.70 0.01 -0.12 -0.76 114.94 116.73 2g18 s ASN 59 Ca -0.04 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 2g18 s ASN 59 Cb -0.15 -1.50 0.02 0.00 0.41 0.00 0.00 41.25 40.04 2g18 s ASN 59 CO -0.04 0.16 -0.06 -0.60 -1.51 0.00 0.00 177.10 175.04 2g18 s ARG 60 N 0.35 1.22 0.03 -0.60 3.52 0.51 -4.79 118.95 119.19 2g18 s ARG 60 Ca -0.15 -0.18 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 2g18 s ARG 60 Cb -0.17 -1.25 -0.02 0.00 -1.56 0.00 0.00 34.95 31.95 2g18 s ARG 60 CO 0.07 -0.17 -0.14 0.00 -0.81 0.00 0.00 175.30 174.26 2g18 s TYR 62 N -0.77 1.58 0.09 0.00 1.51 -0.32 -2.05 117.35 117.39 2g18 s TYR 62 Ca 0.02 -1.19 -0.04 0.00 -1.01 0.00 0.00 57.07 54.85 2g18 s TYR 62 Cb -0.07 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 2g18 s TYR 62 CO 0.01 -0.33 0.09 1.14 -1.11 0.00 0.00 175.55 175.35 2g18 s GLN 63 N -3.99 0.81 0.29 -0.62 -2.07 0.30 -0.22 119.66 114.15 2g18 s GLN 63 Ca 0.37 -1.19 0.02 0.00 -1.82 0.00 0.00 55.36 52.74 2g18 s GLN 63 Cb 0.08 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.24 2g18 s GLN 63 CO 0.14 -0.22 0.29 0.95 -1.32 0.00 0.00 175.29 175.13 2g18 s THR 64 N -3.94 0.00 0.55 3.63 -4.23 -0.73 -0.94 115.64 109.98 2g18 s THR 64 Ca 0.11 -1.89 0.23 0.00 -1.18 0.00 0.00 61.69 58.97 2g18 s THR 64 Cb 0.06 -2.51 0.34 0.00 1.34 0.00 0.00 72.50 71.73 2g18 s THR 64 CO -0.06 0.00 2.11 -0.65 -0.54 0.00 0.00 174.62 175.47 2g18 h PRO 65 N 2.27 0.00 0.00 3.99 0.11 -2.02 -3.03 132.00 133.32 2g18 h PRO 65 Ca -0.29 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.64 2g18 h PRO 65 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2g18 h PRO 65 CO 0.41 0.00 -1.99 1.04 -0.21 0.00 0.00 178.00 177.25 2g18 n GLN 66 N -4.22 0.66 -4.04 1.05 3.00 -1.26 -4.86 117.38 107.71 2g18 n GLN 66 Ca 0.02 -0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.64 2g18 n GLN 66 Cb 0.29 -1.59 -0.14 0.00 0.00 0.00 0.00 30.24 28.80 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 -2.98 2.91 0.34 1.08 0.40 -1.14 0.12 117.98 118.71 2g18 s PHE 67 Ca -0.07 -1.02 0.04 0.00 -0.60 0.00 0.00 56.93 55.27 2g18 s PHE 67 Cb 0.10 -2.05 0.61 0.00 0.51 0.00 0.00 43.02 42.19 2g18 s PHE 67 CO 0.85 -0.55 1.90 -0.09 0.70 0.00 0.00 175.22 178.03 2g18 h ARG 68 N 7.92 0.59 -1.73 0.44 2.43 -0.95 -1.95 114.38 121.14 2g18 h ARG 68 Ca -0.41 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 58.74 2g18 h ARG 68 Cb 1.16 -0.10 -0.23 0.00 -0.42 0.00 0.00 29.97 30.38 2g18 h ARG 68 CO 0.61 0.55 0.16 0.21 -1.51 0.00 0.00 179.97 179.99 2g18 s LYS 69 N -5.12 0.53 -0.24 0.20 2.20 -1.11 -4.65 119.74 111.54 2g18 s LYS 69 Ca -0.08 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.54 2g18 s LYS 69 Cb 0.16 0.24 0.06 0.00 -1.51 0.00 0.00 37.83 36.77 2g18 s LYS 69 CO 0.77 -0.13 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.91 2g18 s MET 70 N 1.77 1.91 -0.19 4.03 -1.94 0.69 -0.43 119.30 125.14 2g18 s MET 70 Ca -0.08 -1.11 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 2g18 s MET 70 Cb -0.05 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.12 2g18 s MET 70 CO -0.18 -0.57 -0.19 -1.58 -0.01 0.00 0.00 175.02 172.50 2g18 s HIS 71 N 1.28 2.81 -0.24 -0.03 5.04 -0.05 -1.17 115.29 122.93 2g18 s HIS 71 Ca -0.07 -1.64 -0.04 0.00 -1.54 0.00 0.00 55.06 51.77 2g18 s HIS 71 Cb -0.19 -1.93 -0.00 0.00 0.04 0.00 0.00 32.58 30.50 2g18 s HIS 71 CO -0.06 -0.80 -0.02 -1.17 -2.34 0.00 0.00 174.74 170.35 2g18 s LEU 72 N 1.29 3.13 -0.13 8.88 2.96 0.81 -1.44 118.68 134.19 2g18 s LEU 72 Ca 0.04 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 2g18 s LEU 72 Cb -0.13 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2g18 s LEU 72 CO -0.12 -0.06 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.01 2g18 s GLU 73 N 1.47 3.35 -0.09 1.98 2.12 0.71 -0.37 118.70 127.87 2g18 s GLU 73 Ca 0.04 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.73 2g18 s GLU 73 Cb -0.15 -2.62 -0.00 0.00 0.26 0.00 0.00 34.13 31.62 2g18 s GLU 73 CO -0.02 0.23 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.19 2g18 s LEU 74 N 0.30 2.06 0.02 2.70 1.43 0.06 -0.72 118.68 124.54 2g18 s LEU 74 Ca -0.10 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2g18 s LEU 74 Cb -0.16 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 2g18 s LEU 74 CO 0.06 0.17 -0.04 0.00 0.23 0.00 0.00 176.35 176.77 2g18 s ALA 75 N 0.25 0.25 -0.01 4.21 0.00 0.21 -0.82 121.76 125.85 2g18 s ALA 75 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2g18 s ALA 75 Cb -0.17 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2g18 s ALA 75 CO 0.08 -0.06 -0.01 0.21 0.00 0.00 0.00 175.76 175.98 2g18 s LYS 76 N -1.01 0.13 -0.24 0.00 2.20 -0.23 -0.05 119.74 120.54 2g18 s LYS 76 Ca -0.09 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 2g18 s LYS 76 Cb -0.07 -0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.14 2g18 s LYS 76 CO -0.00 0.00 -0.05 0.08 -0.36 0.00 0.00 175.35 175.02 2g18 s VAL 77 N 0.16 1.55 0.00 4.02 1.01 -0.05 -0.78 120.40 126.30 2g18 s VAL 77 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.70 2g18 s VAL 77 Cb -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2g18 s VAL 77 CO -0.00 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.58 2g18 n GLY 78 N 4.66 1.94 1.07 4.51 0.00 -0.15 -1.06 105.19 116.16 2g18 n GLY 78 Ca -0.11 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 0.79 3.80 0.04 1.61 3.02 -1.26 -4.54 115.26 118.71 2g18 n ASN 79 Ca 0.00 -2.32 -0.00 0.00 -0.03 0.00 0.00 54.58 52.23 2g18 n ASN 79 Cb 0.00 -0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 38.67 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 2.91 0.00 -2.41 3.52 2.86 -1.48 -2.83 114.93 117.51 2g18 h MET 80 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2g18 h MET 80 Cb 1.11 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.52 2g18 h MET 80 CO 0.11 0.33 -0.28 -1.17 1.06 0.00 0.00 176.91 176.96 2g18 s LEU 81 N -5.88 -0.66 -0.07 1.22 2.96 -0.97 -4.33 118.68 110.95 2g18 s LEU 81 Ca -0.02 1.12 0.05 0.00 -0.22 0.00 0.00 54.13 55.06 2g18 s LEU 81 Cb 0.09 1.60 -0.01 0.00 0.50 0.00 0.00 46.19 48.37 2g18 s LEU 81 CO 0.81 -0.22 -0.24 -1.81 -1.32 0.00 0.00 176.35 173.56 2g18 s ASP 82 N 2.37 3.01 -0.03 3.68 1.01 -0.42 -0.87 116.67 125.42 2g18 s ASP 82 Ca -0.05 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.72 2g18 s ASP 82 Cb -0.11 -1.05 0.01 0.00 1.01 0.00 0.00 42.92 42.78 2g18 s ASP 82 CO -0.14 0.20 -0.08 -0.63 0.21 0.00 0.00 175.17 174.73 2g18 s ILE 83 N 0.06 0.75 -0.12 0.77 1.01 0.93 -0.83 121.20 123.76 2g18 s ILE 83 Ca -0.10 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2g18 s ILE 83 Cb -0.15 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2g18 s ILE 83 CO 0.06 0.24 -0.21 -0.22 0.00 0.00 0.00 174.94 174.81 2g18 s LEU 84 N 0.29 2.24 -0.04 2.97 0.20 0.53 -0.62 118.68 124.25 2g18 s LEU 84 Ca -0.05 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.27 2g18 s LEU 84 Cb -0.09 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.21 2g18 s LEU 84 CO 0.01 0.13 -0.10 -2.28 -0.29 0.00 0.00 176.35 173.82 2g18 s HIS 85 N 0.53 1.14 -0.03 5.38 5.65 0.11 -0.72 115.29 127.35 2g18 s HIS 85 Ca -0.13 -0.34 0.00 0.00 0.25 0.00 0.00 55.06 54.84 2g18 s HIS 85 Cb -0.17 -0.84 0.02 0.00 -1.18 0.00 0.00 32.58 30.42 2g18 s HIS 85 CO 0.04 -0.18 -0.00 0.00 -0.65 0.00 0.00 174.74 173.96 2g18 s VAL 87 N 0.91 0.20 -0.17 0.00 1.01 -0.52 -1.23 120.40 120.60 2g18 s VAL 87 Ca -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2g18 s VAL 87 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 2g18 s VAL 87 CO -0.02 -0.00 -0.09 -0.04 0.00 0.00 0.00 175.10 174.96 2g18 s MET 88 N -0.22 3.39 -0.31 2.72 -1.94 -0.18 -0.87 119.30 121.90 2g18 s MET 88 Ca -0.01 -0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 53.24 2g18 s MET 88 Cb -0.02 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 34.00 2g18 s MET 88 CO -0.00 0.02 0.13 -0.06 -0.01 0.00 0.00 175.02 175.09 2g18 s PHE 89 N 0.89 3.17 0.61 -0.03 0.40 0.42 -3.46 117.98 119.98 2g18 s PHE 89 Ca -0.02 -0.75 -0.16 0.00 -0.60 0.00 0.00 56.93 55.40 2g18 s PHE 89 Cb -0.15 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 2g18 s PHE 89 CO 0.00 -0.51 1.09 -2.14 0.70 0.00 0.00 175.22 174.36 2g18 s PRO 90 N 1.57 3.11 0.29 0.24 0.02 -1.26 -0.42 135.00 138.54 2g18 s PRO 90 Ca 0.04 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.12 2g18 s PRO 90 Cb -0.17 -1.99 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 2g18 s PRO 90 CO 0.05 -1.00 1.41 1.03 -0.33 0.00 0.00 177.00 178.16 2g18 s ARG 91 N -3.93 4.27 0.00 5.54 0.52 0.12 -4.39 118.95 121.08 2g18 s ARG 91 Ca 0.67 2.31 0.08 0.00 -0.52 0.00 0.00 55.73 58.27 2g18 s ARG 91 Cb -0.19 -3.08 0.36 0.00 0.52 0.00 0.00 34.95 32.56 2g18 s ARG 91 CO 0.37 -0.37 1.20 -0.35 0.02 0.00 0.00 175.30 176.17 2g18 n PRO 92 N 1.68 0.04 0.13 3.54 -0.04 -1.26 -0.97 135.00 138.13 2g18 n PRO 92 Ca 0.04 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 2g18 n PRO 92 Cb 0.40 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.86 2g18 n PRO 92 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2g18 n GLU 93 N -1.42 0.20 -4.65 0.54 4.71 -1.26 -4.68 120.64 114.08 2g18 n GLU 93 Ca 0.03 0.43 -0.33 0.00 -0.01 0.00 0.00 57.16 57.28 2g18 n GLU 93 Cb 0.08 -1.88 -0.13 0.00 -1.01 0.00 0.00 31.44 28.50 2g18 n GLU 93 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2g18 s TYR 94 N -3.33 2.89 -1.41 -0.32 1.51 -0.14 -0.87 117.35 115.68 2g18 s TYR 94 Ca 0.04 -0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 55.69 2g18 s TYR 94 Cb 0.09 -1.80 0.04 0.00 -0.11 0.00 0.00 41.96 40.19 2g18 s TYR 94 CO 0.39 0.08 2.10 -3.47 -1.11 0.00 0.00 175.55 173.54 2g18 n ASP 95 N 2.91 4.10 -4.07 2.29 2.03 -1.26 -4.84 116.55 117.70 2g18 n ASP 95 Ca -0.18 -2.86 -0.23 0.00 0.52 0.00 0.00 54.79 52.05 2g18 n ASP 95 Cb 0.53 -1.67 -0.16 0.00 -0.72 0.00 0.00 41.12 39.10 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 2.73 1.86 1.03 -2.67 1.43 -1.26 -4.88 118.68 116.92 2g18 s LEU 96 Ca 0.49 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 2g18 s LEU 96 Cb 0.11 -0.74 0.21 0.00 0.03 0.00 0.00 46.19 45.80 2g18 s LEU 96 CO -0.04 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 2g18 s PRO 97 N 0.07 0.15 -0.28 1.29 0.04 -1.26 -4.65 135.00 130.37 2g18 s PRO 97 Ca -0.02 0.42 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 2g18 s PRO 97 Cb -0.09 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2g18 s PRO 97 CO 0.01 -2.90 0.53 -1.64 0.04 0.00 0.00 177.00 173.04 2g18 s MET 98 N -5.01 4.00 0.14 4.56 -1.94 0.21 -4.71 119.30 116.55 2g18 s MET 98 Ca 0.66 0.26 -0.30 0.00 -1.71 0.00 0.00 55.69 54.60 2g18 s MET 98 Cb -0.18 -3.68 -0.07 0.00 2.01 0.00 0.00 34.83 32.92 2g18 s MET 98 CO 0.57 -0.41 0.95 0.12 -0.01 0.00 0.00 175.02 176.24 2g18 s PHE 99 N 2.36 3.86 -0.05 -0.03 5.36 -1.22 -0.74 117.98 127.51 2g18 s PHE 99 Ca 0.21 1.82 -0.07 0.00 -0.96 0.00 0.00 56.93 57.94 2g18 s PHE 99 Cb -0.16 -3.03 0.01 0.00 -0.34 0.00 0.00 43.02 39.51 2g18 s PHE 99 CO 0.10 0.27 0.18 0.20 -1.46 0.00 0.00 175.22 174.51 2g18 s GLY 100 N -0.30 -0.09 0.02 13.12 0.00 -0.42 -1.01 107.32 118.63 2g18 s GLY 100 Ca 0.45 0.36 -0.13 0.00 0.00 0.00 0.00 44.72 45.40 2g18 s GLY 100 CO 0.30 0.26 0.26 0.00 0.00 0.00 0.00 173.10 173.93 2g18 s ASP 102 N -1.73 -0.01 -0.05 0.00 1.01 -0.15 -0.15 116.67 115.61 2g18 s ASP 102 Ca -0.09 -0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.16 2g18 s ASP 102 Cb -0.03 0.12 0.03 0.00 1.01 0.00 0.00 42.92 44.04 2g18 s ASP 102 CO -0.00 -0.09 -0.01 -0.22 0.21 0.00 0.00 175.17 175.07 2g18 s LEU 103 N -0.30 0.97 -0.06 1.23 2.96 0.10 -1.27 118.68 122.32 2g18 s LEU 103 Ca -0.04 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 2g18 s LEU 103 Cb -0.02 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.34 2g18 s LEU 103 CO 0.00 -0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.05 2g18 s VAL 104 N 1.34 1.43 0.11 1.68 1.01 -0.33 -0.35 120.40 125.30 2g18 s VAL 104 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2g18 s VAL 104 Cb -0.13 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2g18 s VAL 104 CO -0.02 0.42 0.17 0.61 0.00 0.00 0.00 175.10 176.27 2g18 n GLY 105 N 3.38 2.61 0.00 4.51 0.00 -0.01 -1.31 105.19 114.38 2g18 n GLY 105 Ca -0.20 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2g18 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g18 n GLY 106 N -0.18 1.63 3.04 -0.02 0.00 -0.52 -1.30 105.19 107.83 2g18 n GLY 106 Ca -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 2g18 n GLY 106 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2g18 n ARG 107 N 0.00 -1.49 -0.23 1.61 0.00 -1.07 -2.15 116.66 113.34 2g18 n ARG 107 Ca 0.00 1.45 0.00 0.00 -0.00 0.00 0.00 57.85 59.30 2g18 n ARG 107 Cb 0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 32.46 30.77 2g18 n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2g18 n GLY 108 N 1.89 0.00 3.33 2.89 0.00 -1.26 -4.78 105.19 107.27 2g18 n GLY 108 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.66 -0.34 1.61 -1.52 -0.91 -5.08 119.66 116.08 2g18 s GLN 109 Ca 0.00 -0.83 -0.13 0.00 -1.95 0.00 0.00 55.36 52.45 2g18 s GLN 109 Cb 0.00 -2.28 -0.02 0.00 -0.22 0.00 0.00 33.01 30.49 2g18 s GLN 109 CO 0.00 0.41 0.24 0.42 -0.25 0.00 0.00 175.29 176.12 2g18 s ILE 110 N -0.22 5.28 -0.11 1.08 1.01 -1.26 -1.44 121.20 125.55 2g18 s ILE 110 Ca -0.01 -0.19 0.16 0.00 0.00 0.00 0.00 60.65 60.61 2g18 s ILE 110 Cb -0.13 -3.71 -0.14 0.00 0.01 0.00 0.00 42.46 38.49 2g18 s ILE 110 CO 0.03 -0.00 0.85 0.77 0.00 0.00 0.00 174.94 176.59 2g18 h SER 111 N 8.48 0.00 -3.71 3.58 4.64 -1.55 -3.39 113.55 121.60 2g18 h SER 111 Ca -0.31 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.87 2g18 h SER 111 Cb 1.16 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.00 2g18 h SER 111 CO 0.63 0.64 -0.30 0.00 -0.87 0.00 0.00 176.83 176.92 2g18 s ALA 112 N -2.88 -0.91 -0.04 5.18 0.00 -1.04 -4.48 121.76 117.59 2g18 s ALA 112 Ca -0.03 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 2g18 s ALA 112 Cb 0.09 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.57 2g18 s ALA 112 CO 0.81 -0.19 0.06 0.00 0.00 0.00 0.00 175.76 176.44 2g18 s ALA 113 N 0.50 0.14 0.03 0.00 0.00 -0.19 -1.19 121.76 121.05 2g18 s ALA 113 Ca -0.02 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.24 2g18 s ALA 113 Cb -0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2g18 s ALA 113 CO -0.03 -0.36 -0.11 -1.50 0.00 0.00 0.00 175.76 173.77 2g18 s ILE 114 N 1.78 0.84 -0.18 0.00 2.07 -0.40 -1.35 121.20 123.96 2g18 s ILE 114 Ca -0.00 -0.84 -0.15 0.00 -1.41 0.00 0.00 60.65 58.25 2g18 s ILE 114 Cb -0.12 -0.78 0.05 0.00 0.13 0.00 0.00 42.46 41.74 2g18 s ILE 114 CO -0.03 -0.04 0.46 0.00 -1.91 0.00 0.00 174.94 173.41 2g18 s ALA 115 N -0.80 -1.15 0.13 1.50 0.00 -0.47 -0.97 121.76 120.00 2g18 s ALA 115 Ca -0.01 1.38 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 2g18 s ALA 115 Cb -0.07 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.28 2g18 s ALA 115 CO 0.01 -0.23 0.44 0.34 0.00 0.00 0.00 175.76 176.32 2g18 s ASP 116 N 0.49 -0.31 -0.53 0.00 2.15 -0.00 -1.15 116.67 117.31 2g18 s ASP 116 Ca -0.02 -0.23 -0.04 0.00 0.43 0.00 0.00 52.55 52.68 2g18 s ASP 116 Cb -0.04 0.50 0.14 0.00 -0.30 0.00 0.00 42.92 43.21 2g18 s ASP 116 CO -0.02 -0.87 0.35 -0.76 -0.17 0.00 0.00 175.17 173.70 2g18 s LEU 117 N -2.75 5.38 0.10 -1.34 1.43 -1.26 -1.31 118.68 118.94 2g18 s LEU 117 Ca 0.02 -2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 50.47 2g18 s LEU 117 Cb 0.01 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 2g18 s LEU 117 CO -0.12 -0.49 0.74 -0.44 0.23 0.00 0.00 176.35 176.27 2g18 s SER 118 N 1.47 7.27 0.50 2.29 0.01 0.08 -4.35 113.70 120.97 2g18 s SER 118 Ca 0.12 1.51 -0.22 0.00 1.31 0.00 0.00 55.95 58.67 2g18 s SER 118 Cb -0.22 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 2g18 s SER 118 CO -0.04 0.14 1.18 -2.16 0.41 0.00 0.00 173.24 172.78 2g18 s PRO 119 N -0.68 3.55 0.00 12.44 0.04 -1.25 -0.62 135.00 148.47 2g18 s PRO 119 Ca 0.36 1.80 0.21 0.00 0.04 0.00 0.00 61.00 63.41 2g18 s PRO 119 Cb -0.21 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 2g18 s PRO 119 CO 0.24 -0.73 1.04 1.33 0.04 0.00 0.00 177.00 178.91 2g18 n VAL 120 N -0.79 0.00 -2.74 -0.36 0.24 -1.26 -4.78 118.33 108.63 2g18 n VAL 120 Ca 0.09 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.72 2g18 n VAL 120 Cb 0.48 1.24 -0.06 0.00 -1.47 0.00 0.00 33.84 34.04 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 -2.38 3.97 0.23 6.34 3.76 -1.26 -3.83 115.29 122.11 2g18 s HIS 121 Ca 0.17 1.91 0.07 0.00 -0.15 0.00 0.00 55.06 57.06 2g18 s HIS 121 Cb 0.17 -2.99 0.20 0.00 1.11 0.00 0.00 32.58 31.07 2g18 s HIS 121 CO 0.55 0.42 1.52 -0.07 -0.85 0.00 0.00 174.74 176.31 2g18 h LEU 122 N 4.10 0.13 0.00 0.89 4.07 -1.91 -0.27 115.31 122.32 2g18 h LEU 122 Ca -0.45 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.42 2g18 h LEU 122 Cb 1.20 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2g18 h LEU 122 CO 0.68 0.79 0.00 -0.90 -1.08 0.00 0.00 178.44 177.93 2g18 n ASP 123 N -3.75 0.00 -0.40 -0.43 5.68 -1.26 -4.89 116.55 111.49 2g18 n ASP 123 Ca -0.02 -0.77 -0.05 0.00 -0.50 0.00 0.00 54.79 53.45 2g18 n ASP 123 Cb 0.69 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.64 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 -0.74 -0.46 -3.72 0.11 1.74 -0.11 -5.00 116.66 108.48 2g18 n ARG 124 Ca 0.06 0.63 -0.26 0.00 -0.77 0.00 0.00 57.85 57.50 2g18 n ARG 124 Cb 0.03 -4.34 -0.03 0.00 -1.02 0.00 0.00 32.46 27.10 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 -2.15 5.21 0.22 0.55 -4.23 -1.26 -4.83 115.64 109.16 2g18 s THR 125 Ca 0.00 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 2g18 s THR 125 Cb 0.00 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 2g18 s THR 125 CO 0.00 -0.22 0.38 -0.76 -0.54 0.00 0.00 174.62 173.48 2g18 s LEU 126 N -3.48 4.25 0.80 4.79 1.43 -1.26 -4.10 118.68 121.11 2g18 s LEU 126 Ca 0.38 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 2g18 s LEU 126 Cb -0.11 -3.04 0.08 0.00 0.03 0.00 0.00 46.19 43.15 2g18 s LEU 126 CO 0.30 -0.06 1.21 -2.84 0.23 0.00 0.00 176.35 175.19 2g18 s PRO 127 N -3.62 1.65 0.20 1.29 0.02 -1.26 -4.69 135.00 128.59 2g18 s PRO 127 Ca 0.36 1.79 -0.18 0.00 0.02 0.00 0.00 61.00 63.00 2g18 s PRO 127 Cb -0.10 -1.77 0.18 0.00 0.02 0.00 0.00 34.50 32.83 2g18 s PRO 127 CO 0.30 -2.22 1.60 0.93 -0.33 0.00 0.00 177.00 177.28 2g18 h GLU 128 N -0.85 -0.10 -0.03 5.54 5.08 -1.99 -1.56 114.58 120.67 2g18 h GLU 128 Ca -0.46 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2g18 h GLU 128 Cb 1.30 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2g18 h GLU 128 CO 0.46 -0.06 -0.03 0.66 -1.00 0.00 0.00 179.01 179.04 2g18 h SER 129 N -0.10 0.04 -0.03 1.42 4.64 -2.00 0.15 113.55 117.67 2g18 h SER 129 Ca 0.27 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2g18 h SER 129 Cb 0.54 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2g18 h SER 129 CO -0.70 0.07 -0.03 1.88 -0.87 0.00 0.00 176.83 177.17 2g18 h TYR 130 N 0.04 0.10 -0.49 4.77 -1.99 -1.66 -2.66 116.97 115.07 2g18 h TYR 130 Ca 0.01 -0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.79 2g18 h TYR 130 Cb 0.08 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 38.72 2g18 h TYR 130 CO 0.00 0.55 0.11 -0.91 -0.00 0.00 0.00 178.16 177.91 2g18 h ASN 131 N -0.38 0.03 -0.21 3.88 2.35 -0.42 0.09 115.58 120.92 2g18 h ASN 131 Ca 0.01 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2g18 h ASN 131 Cb 0.53 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 2g18 h ASN 131 CO 0.01 0.05 0.13 0.28 -1.65 0.00 0.00 177.43 176.24 2g18 h SER 132 N 0.25 0.26 -0.55 5.81 0.02 -1.08 -0.58 113.55 117.68 2g18 h SER 132 Ca 0.24 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2g18 h SER 132 Cb 0.31 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2g18 h SER 132 CO -0.30 0.24 0.01 0.00 -1.14 0.00 0.00 176.83 175.64 2g18 h ALA 133 N 1.03 0.74 0.10 3.77 0.00 -1.06 -2.37 119.26 121.48 2g18 h ALA 133 Ca 0.08 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.42 2g18 h ALA 133 Cb 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.63 2g18 h ALA 133 CO -0.01 0.56 -1.18 -0.07 0.00 0.00 0.00 179.25 178.55 2g18 h LEU 134 N 0.85 0.66 -1.52 0.00 3.38 -0.87 -2.73 115.31 115.07 2g18 h LEU 134 Ca 0.16 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2g18 h LEU 134 Cb 0.52 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2g18 h LEU 134 CO 0.03 1.44 0.00 0.71 0.09 0.00 0.00 178.44 180.71 2g18 h THR 135 N 0.20 0.00 0.00 0.22 1.35 -1.12 -2.11 112.91 111.46 2g18 h THR 135 Ca -0.15 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 2g18 h THR 135 Cb 1.85 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2g18 h THR 135 CO 0.21 0.00 -0.04 0.28 -0.25 0.00 0.00 175.52 175.72 2g18 h SER 136 N 0.00 0.00 -3.94 5.36 0.02 -1.10 -3.46 113.55 110.43 2g18 h SER 136 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2g18 h SER 136 Cb 0.38 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.03 2g18 h SER 136 CO 0.00 0.04 0.76 -0.76 -1.14 0.00 0.00 176.83 175.73 2g18 s LEU 137 N -6.26 4.32 0.23 5.07 1.43 -0.79 -4.92 118.68 117.75 2g18 s LEU 137 Ca 0.04 3.00 -0.29 0.00 -1.03 0.00 0.00 54.13 55.85 2g18 s LEU 137 Cb 0.07 -3.68 -0.16 0.00 0.03 0.00 0.00 46.19 42.45 2g18 s LEU 137 CO 0.62 -0.85 0.78 0.59 0.23 0.00 0.00 176.35 177.72 2g18 n ASN 138 N 0.46 -0.01 -4.74 2.29 3.02 -1.26 -4.92 115.26 110.10 2g18 n ASN 138 Ca 0.01 1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 55.30 2g18 n ASN 138 Cb 0.40 -1.10 -0.02 0.00 -0.61 0.00 0.00 39.78 38.44 2g18 n ASN 138 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2g18 s THR 139 N -0.94 2.42 -0.12 3.41 -4.23 -1.26 -5.02 115.64 109.90 2g18 s THR 139 Ca 0.63 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.50 2g18 s THR 139 Cb -0.84 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 2g18 s THR 139 CO 0.57 0.05 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.79 2g18 s LEU 140 N -0.17 2.56 -0.51 4.79 1.43 -1.26 -5.08 118.68 120.44 2g18 s LEU 140 Ca 0.63 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.26 2g18 s LEU 140 Cb -0.44 -1.56 0.13 0.00 0.03 0.00 0.00 46.19 44.35 2g18 s LEU 140 CO 0.43 0.16 0.38 0.20 0.23 0.00 0.00 176.35 177.75 2g18 s ASN 141 N 0.35 5.70 -0.06 2.29 0.01 -1.26 -5.06 114.94 116.91 2g18 s ASN 141 Ca -0.13 -2.08 -0.16 0.00 -0.71 0.00 0.00 52.86 49.78 2g18 s ASN 141 Cb -0.16 -2.00 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 2g18 s ASN 141 CO 0.07 -0.64 0.41 -0.36 -1.51 0.00 0.00 177.10 175.06 2g18 s PHE 142 N 1.10 3.62 0.34 2.20 0.40 -1.26 -4.99 117.98 119.40 2g18 s PHE 142 Ca 0.08 0.90 0.18 0.00 -0.60 0.00 0.00 56.93 57.49 2g18 s PHE 142 Cb -0.24 -2.38 0.91 0.00 0.51 0.00 0.00 43.02 41.83 2g18 s PHE 142 CO -0.02 0.44 1.88 0.66 0.70 0.00 0.00 175.22 178.87 2g18 h SER 143 N 5.63 0.00 -2.12 1.36 4.64 -1.97 -3.36 113.55 117.73 2g18 h SER 143 Ca -0.47 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 2g18 h SER 143 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.88 2g18 h SER 143 CO 0.68 0.30 -0.82 0.00 -0.87 0.00 0.00 176.83 176.12 2g18 n GLN 144 N -3.87 1.87 -1.31 4.77 1.13 -1.26 -5.10 117.38 113.61 2g18 n GLN 144 Ca -0.02 -4.11 -0.31 0.00 -1.94 0.00 0.00 57.00 50.63 2g18 n GLN 144 Cb 0.38 -1.86 0.09 0.00 0.11 0.00 0.00 30.24 28.95 2g18 n GLN 144 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2g18 s PRO 145 N -2.13 2.35 0.19 -1.09 0.04 -1.26 -1.61 135.00 131.48 2g18 s PRO 145 Ca 0.39 1.12 0.10 0.00 0.04 0.00 0.00 61.00 62.65 2g18 s PRO 145 Cb 0.18 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2g18 s PRO 145 CO -0.06 -1.56 -0.20 1.03 0.04 0.00 0.00 177.00 176.24 2g18 s ARG 146 N -4.93 1.41 -0.05 4.56 0.52 0.32 -4.82 118.95 115.96 2g18 s ARG 146 Ca 0.61 -1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.12 2g18 s ARG 146 Cb -0.17 -1.53 -0.05 0.00 0.52 0.00 0.00 34.95 33.73 2g18 s ARG 146 CO 0.56 0.31 0.55 -2.00 0.02 0.00 0.00 175.30 174.74 2g18 s GLU 147 N -2.91 4.30 0.36 3.54 2.12 -1.26 -4.77 118.70 120.08 2g18 s GLU 147 Ca 0.20 0.62 -0.27 0.00 0.36 0.00 0.00 54.97 55.88 2g18 s GLU 147 Cb -0.06 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.87 2g18 s GLU 147 CO 0.09 0.29 1.18 -0.51 -0.54 0.00 0.00 175.26 175.78 2g18 s LEU 148 N 0.11 4.31 0.89 2.70 1.43 -1.26 -5.04 118.68 121.82 2g18 s LEU 148 Ca 0.29 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 2g18 s LEU 148 Cb -0.17 -3.87 0.12 0.00 0.03 0.00 0.00 46.19 42.30 2g18 s LEU 148 CO 0.14 -0.55 1.10 -2.16 0.23 0.00 0.00 176.35 175.12 2g18 s PRO 149 N -2.04 1.31 0.15 1.29 0.04 -1.26 -4.91 135.00 129.59 2g18 s PRO 149 Ca 0.53 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 2g18 s PRO 149 Cb -0.33 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2g18 s PRO 149 CO 0.42 -2.15 1.81 0.93 0.04 0.00 0.00 177.00 178.05 2g18 h GLU 150 N -1.48 0.56 0.00 4.56 3.07 -2.05 0.27 114.58 119.51 2g18 h GLU 150 Ca -0.50 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 2g18 h GLU 150 Cb 1.30 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2g18 h GLU 150 CO 0.58 0.38 0.21 0.11 -1.40 0.00 0.00 179.01 178.89 2g18 h TRP 151 N 0.57 0.00 0.00 4.33 5.08 -1.99 -1.03 115.95 122.91 2g18 h TRP 151 Ca 0.15 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.12 2g18 h TRP 151 Cb -0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.11 2g18 h TRP 151 CO -0.04 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.53 2g18 n GLY 152 N -1.27 -0.22 0.02 11.11 0.00 0.96 -2.76 105.19 113.02 2g18 n GLY 152 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.96 0.06 0.07 1.61 6.94 -0.39 -1.25 115.26 121.34 2g18 n ASN 153 Ca 0.05 0.52 0.09 0.00 -0.02 0.00 0.00 54.58 55.23 2g18 n ASN 153 Cb 0.02 -0.53 0.40 0.00 -2.36 0.00 0.00 39.78 37.31 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 -1.58 0.95 -3.49 1.53 -5.35 -1.11 -4.79 119.36 105.53 2g18 n ILE 154 Ca 0.01 0.26 -0.31 0.00 -0.27 0.00 0.00 62.75 62.45 2g18 n ILE 154 Cb 0.07 -1.12 -0.05 0.00 -1.74 0.00 0.00 39.64 36.80 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 -3.18 3.45 0.93 4.28 0.40 -0.38 -3.97 117.98 119.51 2g18 s PHE 155 Ca 0.05 0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 56.95 2g18 s PHE 155 Cb 0.09 -2.14 0.18 0.00 0.51 0.00 0.00 43.02 41.65 2g18 s PHE 155 CO 0.32 0.30 1.30 -1.54 0.70 0.00 0.00 175.22 176.30 2g18 s SER 156 N -2.54 3.36 0.25 1.36 1.04 -1.26 -4.87 113.70 111.04 2g18 s SER 156 Ca 0.45 0.36 0.24 0.00 0.48 0.00 0.00 55.95 57.47 2g18 s SER 156 Cb -0.11 -0.49 0.96 0.00 0.10 0.00 0.00 66.02 66.48 2g18 s SER 156 CO 0.24 -2.59 1.71 0.47 0.98 0.00 0.00 173.24 174.06 2g18 n ASP 157 N -3.69 0.67 -0.70 7.02 8.00 -1.26 -2.65 116.55 123.94 2g18 n ASP 157 Ca 0.14 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.42 2g18 n ASP 157 Cb 0.60 -0.80 0.30 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.23 0.00 -1.63 1.24 3.01 -1.26 -4.97 117.46 111.62 2g18 n PHE 158 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 2g18 n PHE 158 Cb 0.25 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.20 2.21 -0.24 0.00 1.01 -0.30 -5.00 121.20 117.67 2g18 s ILE 160 Ca 0.61 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 2g18 s ILE 160 Cb -0.58 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.01 2g18 s ILE 160 CO 0.58 0.50 0.01 0.12 0.00 0.00 0.00 174.94 176.16 2g18 s PHE 161 N 1.30 1.79 0.13 3.97 5.36 -1.26 -1.36 117.98 127.91 2g18 s PHE 161 Ca 0.05 -1.46 -0.02 0.00 -0.96 0.00 0.00 56.93 54.54 2g18 s PHE 161 Cb -0.13 -1.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 2g18 s PHE 161 CO -0.12 -0.74 0.07 0.14 -1.46 0.00 0.00 175.22 173.11 2g18 s VAL 162 N 1.60 0.11 -0.34 3.12 -7.23 -0.46 -0.52 120.40 116.68 2g18 s VAL 162 Ca -0.00 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2g18 s VAL 162 Cb -0.18 -2.00 0.06 0.00 0.56 0.00 0.00 36.38 34.82 2g18 s VAL 162 CO -0.11 -0.48 0.08 -0.60 -0.31 0.00 0.00 175.10 173.68 2g18 s ARG 163 N -4.04 2.45 0.01 4.82 3.52 -0.63 -1.02 118.95 124.05 2g18 s ARG 163 Ca 0.23 -1.32 -0.30 0.00 -0.13 0.00 0.00 55.73 54.20 2g18 s ARG 163 Cb 0.07 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 2g18 s ARG 163 CO 0.01 -0.72 1.63 -2.14 -0.81 0.00 0.00 175.30 173.27 2g18 s PRO 164 N 1.30 4.20 -0.07 5.12 0.02 -1.26 -4.43 135.00 139.88 2g18 s PRO 164 Ca -0.02 2.24 0.07 0.00 0.02 0.00 0.00 61.00 63.31 2g18 s PRO 164 Cb -0.20 -3.76 -0.24 0.00 0.02 0.00 0.00 34.50 30.32 2g18 s PRO 164 CO 0.00 -0.76 0.57 -1.13 -0.33 0.00 0.00 177.00 175.35 2g18 n SER 165 N 6.21 1.23 -4.44 2.53 3.41 -1.26 -4.79 113.62 116.52 2g18 n SER 165 Ca 0.16 0.35 -0.22 0.00 -0.26 0.00 0.00 58.87 58.91 2g18 n SER 165 Cb 0.42 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2g18 n SER 165 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2g18 s SER 166 N -6.36 3.07 0.55 4.04 1.04 -1.26 -5.02 113.70 109.75 2g18 s SER 166 Ca -0.10 -1.12 0.36 0.00 0.48 0.00 0.00 55.95 55.57 2g18 s SER 166 Cb 0.08 -0.22 1.74 0.00 0.10 0.00 0.00 66.02 67.71 2g18 s SER 166 CO 0.81 -0.20 2.08 -0.65 0.98 0.00 0.00 173.24 176.26 2g18 h PRO 167 N 2.30 0.00 -0.38 4.02 0.11 -1.99 -1.88 132.00 134.18 2g18 h PRO 167 Ca -0.40 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 2g18 h PRO 167 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2g18 h PRO 167 CO 0.65 0.00 -0.30 0.93 -0.21 0.00 0.00 178.00 179.07 2g18 h GLU 168 N 0.00 0.81 -0.29 1.05 3.07 -1.99 -2.16 114.58 115.07 2g18 h GLU 168 Ca 0.00 -0.37 -0.15 0.00 -0.50 0.00 0.00 59.36 58.33 2g18 h GLU 168 Cb 0.24 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2g18 h GLU 168 CO 0.00 1.00 -0.44 0.93 -1.40 0.00 0.00 179.01 179.11 2g18 h GLU 169 N 0.69 0.74 -0.81 2.33 5.08 -1.80 -0.88 114.58 119.93 2g18 h GLU 169 Ca 0.08 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2g18 h GLU 169 Cb 0.84 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2g18 h GLU 169 CO 0.07 1.03 0.52 0.93 -1.00 0.00 0.00 179.01 180.56 2g18 h GLU 170 N 0.60 0.96 -0.09 2.33 5.08 -1.32 0.90 114.58 123.04 2g18 h GLU 170 Ca 0.04 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2g18 h GLU 170 Cb 0.99 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2g18 h GLU 170 CO 0.09 0.64 -0.66 0.00 -1.00 0.00 0.00 179.01 178.08 2g18 h ALA 171 N 1.35 0.70 -0.66 3.43 0.00 -1.14 -0.92 119.26 122.02 2g18 h ALA 171 Ca 0.33 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2g18 h ALA 171 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2g18 h ALA 171 CO -0.12 0.74 0.41 0.52 0.00 0.00 0.00 179.25 180.80 2g18 h MET 172 N 0.26 0.88 -0.04 0.00 2.86 -0.54 -0.50 114.93 117.86 2g18 h MET 172 Ca -0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2g18 h MET 172 Cb 1.21 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 2g18 h MET 172 CO 0.11 0.61 -0.00 0.35 1.06 0.00 0.00 176.91 179.04 2g18 h PHE 173 N 0.89 0.08 -0.95 -0.22 3.57 -0.61 -0.92 116.94 118.79 2g18 h PHE 173 Ca 0.24 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.78 2g18 h PHE 173 Cb -0.06 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 2g18 h PHE 173 CO -0.02 0.37 0.62 1.25 -2.23 0.00 0.00 178.31 178.30 2g18 h LEU 174 N -0.24 0.98 -0.81 0.59 5.85 -1.11 -1.14 115.31 119.43 2g18 h LEU 174 Ca 0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2g18 h LEU 174 Cb 0.34 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2g18 h LEU 174 CO 0.00 0.64 -0.20 1.23 -0.34 0.00 0.00 178.44 179.77 2g18 h GLY 175 N 1.12 0.73 0.83 3.75 0.00 -0.77 -2.19 103.07 106.54 2g18 h GLY 175 Ca 0.40 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 2g18 h GLY 175 CO -0.15 0.54 -0.23 -0.09 0.00 0.00 0.00 176.54 176.62 2g18 h ARG 176 N 0.60 0.49 -0.68 4.80 9.65 -0.70 -1.87 114.38 126.66 2g18 h ARG 176 Ca 0.09 -0.27 0.09 0.00 -1.10 0.00 0.00 59.98 58.79 2g18 h ARG 176 Cb 0.67 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.20 2g18 h ARG 176 CO 0.05 0.86 0.33 0.28 2.80 0.00 0.00 179.97 184.28 2g18 h VAL 177 N 0.15 0.84 -0.81 0.20 2.07 -1.14 0.47 116.25 118.03 2g18 h VAL 177 Ca 0.03 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2g18 h VAL 177 Cb 0.78 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2g18 h VAL 177 CO 0.05 0.10 0.41 -0.09 0.02 0.00 0.00 177.57 178.07 2g18 h ARG 178 N 0.56 1.15 -0.53 1.57 2.43 -1.30 0.00 114.38 118.26 2g18 h ARG 178 Ca 0.34 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2g18 h ARG 178 Cb 0.36 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2g18 h ARG 178 CO -0.27 0.87 0.09 0.93 -1.51 0.00 0.00 179.97 180.08 2g18 h GLU 179 N 1.13 0.84 -0.34 0.20 5.08 -0.28 -0.85 114.58 120.36 2g18 h GLU 179 Ca 0.28 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2g18 h GLU 179 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2g18 h GLU 179 CO -0.04 0.78 0.22 0.74 -1.00 0.00 0.00 179.01 179.71 2g18 h PHE 180 N 0.80 0.42 -0.60 4.33 -1.00 -0.43 -2.01 116.94 118.45 2g18 h PHE 180 Ca 0.17 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.90 2g18 h PHE 180 Cb 0.35 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 2g18 h PHE 180 CO 0.02 0.27 0.13 -0.07 -1.61 0.00 0.00 178.31 177.04 2g18 h LEU 181 N 0.46 0.89 -0.42 1.54 3.38 -0.48 -0.81 115.31 119.86 2g18 h LEU 181 Ca 0.13 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2g18 h LEU 181 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2g18 h LEU 181 CO -0.03 0.87 -0.24 1.56 0.09 0.00 0.00 178.44 180.69 2g18 h GLN 182 N 0.90 0.91 -0.58 1.13 4.20 -0.90 0.23 115.11 121.00 2g18 h GLN 182 Ca 0.19 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 2g18 h GLN 182 Cb 0.35 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2g18 h GLN 182 CO 0.00 1.07 0.17 0.28 -0.67 0.00 0.00 178.83 179.68 2g18 h VAL 183 N 0.73 1.24 -0.40 -0.54 2.07 -1.22 -1.54 116.25 116.59 2g18 h VAL 183 Ca 0.09 -0.84 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 2g18 h VAL 183 Cb 0.82 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2g18 h VAL 183 CO 0.07 0.31 -0.31 -0.74 0.02 0.00 0.00 177.57 176.92 2g18 h HIS 184 N 0.82 1.05 -0.57 1.57 -0.00 -0.80 -0.83 115.15 116.39 2g18 h HIS 184 Ca 0.18 -0.28 -0.08 0.00 -0.00 0.00 0.00 60.37 60.19 2g18 h HIS 184 Cb 0.31 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 2g18 h HIS 184 CO 0.02 1.09 0.04 0.00 -0.00 0.00 0.00 177.93 179.08 2g18 h GLN 186 N 0.89 1.21 -0.60 0.00 4.20 -1.03 -1.60 115.11 118.17 2g18 h GLN 186 Ca 0.17 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 2g18 h GLN 186 Cb 0.46 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2g18 h GLN 186 CO 0.02 0.93 -0.02 0.78 -0.67 0.00 0.00 178.83 179.87 2g18 h GLY 187 N 1.20 1.16 1.05 3.46 0.00 -0.72 -1.59 103.07 107.64 2g18 h GLY 187 Ca 0.29 -0.87 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 2g18 h GLY 187 CO -0.03 0.80 0.02 0.00 0.00 0.00 0.00 176.54 177.33 2g18 h ALA 188 N 0.98 0.77 -0.09 3.60 0.00 -0.52 -2.39 119.26 121.60 2g18 h ALA 188 Ca 0.17 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2g18 h ALA 188 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2g18 h ALA 188 CO 0.03 0.59 -0.56 0.82 0.00 0.00 0.00 179.25 180.13 2g18 h ILE 189 N 0.89 1.36 0.00 0.00 2.04 -1.15 -2.96 117.51 117.70 2g18 h ILE 189 Ca 0.16 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2g18 h ILE 189 Cb 0.52 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2g18 h ILE 189 CO 0.03 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.74 2g18 n ALA 190 N -2.48 2.14 -1.77 1.87 0.00 -0.61 -4.95 120.51 114.71 2g18 n ALA 190 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 2g18 n ALA 190 Cb 0.59 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.15 3.25 0.23 0.00 0.00 -0.91 -5.05 121.76 116.13 2g18 s ALA 191 Ca 0.09 0.81 0.09 0.00 0.00 0.00 0.00 51.96 52.96 2g18 s ALA 191 Cb 0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2g18 s ALA 191 CO 0.55 -0.20 -0.03 -1.12 0.00 0.00 0.00 175.76 174.96 2g18 s SER 192 N -1.19 4.49 0.44 0.00 0.01 -1.26 -5.06 113.70 111.13 2g18 s SER 192 Ca 0.51 -0.60 -0.22 0.00 1.31 0.00 0.00 55.95 56.95 2g18 s SER 192 Cb -0.28 -0.83 -0.09 0.00 0.21 0.00 0.00 66.02 65.04 2g18 s SER 192 CO 0.35 0.04 1.04 -2.16 0.41 0.00 0.00 173.24 172.92 2g18 s PRO 193 N -3.38 3.97 0.65 12.44 0.05 -1.26 -4.66 135.00 142.81 2g18 s PRO 193 Ca 0.29 1.44 0.04 0.00 0.05 0.00 0.00 61.00 62.82 2g18 s PRO 193 Cb -0.07 -2.31 0.10 0.00 0.05 0.00 0.00 34.50 32.28 2g18 s PRO 193 CO 0.19 -0.30 0.89 0.14 0.05 0.00 0.00 177.00 177.97 2g18 s VAL 194 N -1.83 2.18 0.90 -0.36 -7.23 -0.05 -5.02 120.40 109.01 2g18 s VAL 194 Ca 0.63 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.91 2g18 s VAL 194 Cb -0.19 -2.41 0.13 0.00 0.56 0.00 0.00 36.38 34.47 2g18 s VAL 194 CO 0.24 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 175.18 2g18 s SER 195 N -4.69 3.40 0.21 4.85 1.04 -1.26 -4.80 113.70 112.46 2g18 s SER 195 Ca 0.64 1.46 -0.11 0.00 0.48 0.00 0.00 55.95 58.42 2g18 s SER 195 Cb -0.06 -2.14 0.28 0.00 0.10 0.00 0.00 66.02 64.21 2g18 s SER 195 CO 0.42 -2.68 1.67 0.00 0.98 0.00 0.00 173.24 173.63 2g18 h ALA 196 N -1.58 0.61 0.31 5.32 0.00 -1.99 0.94 119.26 122.88 2g18 h ALA 196 Ca -0.50 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2g18 h ALA 196 Cb 1.29 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2g18 h ALA 196 CO 0.55 -0.38 -0.15 1.49 0.00 0.00 0.00 179.25 180.76 2g18 h GLU 197 N 0.14 -0.40 -0.87 0.00 4.57 -2.01 -2.92 114.58 113.08 2g18 h GLU 197 Ca 0.31 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.66 2g18 h GLU 197 Cb 0.50 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.09 2g18 h GLU 197 CO -0.49 -0.13 0.47 1.96 -1.18 0.00 0.00 179.01 179.65 2g18 h GLN 198 N -0.65 0.67 -0.87 1.92 4.20 -1.90 -2.24 115.11 116.24 2g18 h GLN 198 Ca -0.04 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.64 2g18 h GLN 198 Cb 0.46 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2g18 h GLN 198 CO 0.07 0.44 0.58 -0.22 -0.67 0.00 0.00 178.83 179.03 2g18 h LYS 199 N 0.69 1.12 -0.58 1.46 3.64 -0.70 -1.06 116.57 121.14 2g18 h LYS 199 Ca 0.47 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2g18 h LYS 199 Cb 0.62 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2g18 h LYS 199 CO -0.34 0.74 0.30 1.96 -2.27 0.00 0.00 179.45 179.85 2g18 h GLN 200 N 1.15 0.80 -0.26 1.90 1.08 -1.22 0.50 115.11 119.07 2g18 h GLN 200 Ca 0.33 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 57.31 2g18 h GLN 200 Cb -0.09 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.18 2g18 h GLN 200 CO -0.08 0.59 -0.36 1.96 -0.95 0.00 0.00 178.83 179.99 2g18 h GLN 201 N 0.80 0.70 -0.40 1.46 4.20 -1.21 0.20 115.11 120.85 2g18 h GLN 201 Ca 0.20 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2g18 h GLN 201 Cb 0.04 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2g18 h GLN 201 CO -0.03 1.03 0.24 0.82 -0.67 0.00 0.00 178.83 180.22 2g18 h ILE 202 N 0.43 1.14 -0.30 2.54 2.04 -1.01 -0.37 117.51 121.98 2g18 h ILE 202 Ca 0.03 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2g18 h ILE 202 Cb 0.95 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2g18 h ILE 202 CO 0.08 0.14 0.14 0.25 0.00 0.00 0.00 178.15 178.76 2g18 h LEU 203 N 0.53 0.20 -1.01 1.44 7.12 0.31 -1.03 115.31 122.86 2g18 h LEU 203 Ca 0.14 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.20 2g18 h LEU 203 Cb 0.01 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.07 2g18 h LEU 203 CO -0.03 0.15 0.66 0.00 -0.13 0.00 0.00 178.44 179.10 2g18 h ALA 204 N 1.16 1.32 -0.48 1.25 0.00 -0.36 0.40 119.26 122.55 2g18 h ALA 204 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2g18 h ALA 204 Cb 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2g18 h ALA 204 CO -0.10 0.59 -0.01 0.78 0.00 0.00 0.00 179.25 180.51 2g18 h GLY 205 N 1.30 0.92 1.00 0.00 0.00 -0.43 -0.83 103.07 105.03 2g18 h GLY 205 Ca 0.39 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2g18 h GLY 205 CO -0.11 0.63 0.36 1.46 0.00 0.00 0.00 176.54 178.89 2g18 h GLN 206 N 0.71 0.75 -0.19 4.80 4.20 -0.81 -1.99 115.11 122.59 2g18 h GLN 206 Ca 0.13 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.82 2g18 h GLN 206 Cb 0.53 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2g18 h GLN 206 CO 0.03 0.52 0.01 1.25 -0.67 0.00 0.00 178.83 179.97 2g18 h HIS 207 N 0.77 0.02 -0.53 2.96 2.76 -0.57 0.86 115.15 121.41 2g18 h HIS 207 Ca 0.21 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2g18 h HIS 207 Cb -0.06 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2g18 h HIS 207 CO -0.03 -0.01 0.33 -0.97 -1.30 0.00 0.00 177.93 175.95 2g18 h ASN 208 N 0.08 0.62 -0.53 3.26 -0.73 -1.14 -0.04 115.58 117.11 2g18 h ASN 208 Ca 0.09 -0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.22 2g18 h ASN 208 Cb 0.10 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 2g18 h ASN 208 CO -0.13 0.48 0.34 0.22 -0.37 0.00 0.00 177.43 177.97 2g18 h TYR 209 N 0.71 0.64 -0.23 0.67 3.20 -0.60 -1.76 116.97 119.60 2g18 h TYR 209 Ca 0.19 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.91 2g18 h TYR 209 Cb -0.03 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 2g18 h TYR 209 CO -0.03 0.39 -0.53 0.00 -1.64 0.00 0.00 178.16 176.35 2g18 h SER 211 N 0.51 0.90 -0.75 0.00 4.64 -0.89 0.55 113.55 118.51 2g18 h SER 211 Ca 0.02 -0.48 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2g18 h SER 211 Cb 1.08 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.88 2g18 h SER 211 CO 0.11 1.20 0.41 0.11 -0.87 0.00 0.00 176.83 177.79 2g18 h LYS 212 N 0.63 1.04 -0.51 4.77 1.79 -1.33 -0.10 116.57 122.87 2g18 h LYS 212 Ca 0.05 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.34 2g18 h LYS 212 Cb 0.96 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 2g18 h LYS 212 CO 0.09 0.77 0.10 1.96 -1.08 0.00 0.00 179.45 181.30 2g18 h GLN 213 N 1.03 0.83 -0.37 3.15 1.08 -1.27 -2.17 115.11 117.39 2g18 h GLN 213 Ca 0.26 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2g18 h GLN 213 Cb 0.03 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2g18 h GLN 213 CO -0.04 0.81 0.24 1.96 -0.95 0.00 0.00 178.83 180.84 2g18 h GLN 214 N 0.71 0.50 0.00 1.46 4.20 -0.59 0.69 115.11 122.07 2g18 h GLN 214 Ca 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2g18 h GLN 214 Cb 0.37 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2g18 h GLN 214 CO 0.01 0.34 -0.03 1.96 -0.67 0.00 0.00 178.83 180.44 2g18 h GLN 215 N 0.50 0.00 0.00 1.46 4.20 -0.83 -3.36 115.11 117.07 2g18 h GLN 215 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2g18 h GLN 215 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2g18 h GLN 215 CO -0.03 0.03 -0.54 0.09 -0.67 0.00 0.00 178.83 177.72 2g18 n ASN 216 N -3.70 2.68 -4.71 1.46 3.02 -0.83 -5.04 115.26 108.15 2g18 n ASN 216 Ca -0.03 -0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 2g18 n ASN 216 Cb 0.13 0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.81 3.29 0.04 6.41 -0.08 0.21 -4.89 116.55 120.71 2g18 n ASP 217 Ca 0.00 1.14 0.13 0.00 -1.51 0.00 0.00 54.79 54.55 2g18 n ASP 217 Cb 0.00 -1.51 0.45 0.00 2.34 0.00 0.00 41.12 42.40 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 2.16 0.11 0.26 -0.67 5.02 -1.26 -3.50 118.16 120.27 2g18 n LYS 218 Ca 0.10 0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 2g18 n LYS 218 Cb 0.34 -1.61 0.68 0.00 -0.02 0.00 0.00 35.03 34.42 2g18 n LYS 218 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2g18 h THR 219 N 0.00 0.77 -0.72 -0.18 2.02 -1.99 -2.82 112.91 110.00 2g18 h THR 219 Ca 0.00 -0.44 0.14 0.00 0.77 0.00 0.00 66.41 66.87 2g18 h THR 219 Cb 0.60 1.26 -0.13 0.00 -1.74 0.00 0.00 68.15 68.14 2g18 h THR 219 CO 0.00 0.11 -0.26 -0.09 0.37 0.00 0.00 175.52 175.65 2g18 h ARG 220 N 0.00 -0.06 -0.57 6.66 2.43 -1.95 -0.88 114.38 120.01 2g18 h ARG 220 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2g18 h ARG 220 Cb 0.25 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2g18 h ARG 220 CO 0.01 -0.04 0.08 -0.09 -1.51 0.00 0.00 179.97 178.42 2g18 h ARG 221 N -0.06 0.93 -0.22 0.20 2.43 -1.78 0.27 114.38 116.16 2g18 h ARG 221 Ca 0.32 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2g18 h ARG 221 Cb 0.56 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2g18 h ARG 221 CO -0.76 0.88 -0.07 0.28 -1.51 0.00 0.00 179.97 178.79 2g18 h VAL 222 N 0.88 0.75 -0.38 0.20 2.07 -1.51 -2.08 116.25 116.18 2g18 h VAL 222 Ca 0.18 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.57 2g18 h VAL 222 Cb 0.41 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2g18 h VAL 222 CO 0.01 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.26 2g18 h LEU 223 N -0.02 0.82 -0.20 2.57 3.38 0.05 -1.83 115.31 120.08 2g18 h LEU 223 Ca 0.11 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2g18 h LEU 223 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2g18 h LEU 223 CO -0.24 1.05 0.05 -0.33 0.09 0.00 0.00 178.44 179.06 2g18 h GLU 224 N 0.69 0.13 0.00 1.13 5.08 -0.35 0.95 114.58 122.20 2g18 h GLU 224 Ca 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2g18 h GLU 224 Cb 0.80 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2g18 h GLU 224 CO 0.07 0.08 -0.08 0.87 -1.00 0.00 0.00 179.01 178.95 2g18 h LYS 225 N 0.13 0.00 0.12 2.33 1.57 -1.08 0.42 116.57 120.06 2g18 h LYS 225 Ca 0.09 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.61 2g18 h LYS 225 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2g18 h LYS 225 CO -0.11 0.08 -1.27 0.00 -0.57 0.00 0.00 179.45 177.58 2g18 h ALA 226 N 1.92 0.11 0.00 3.86 0.00 -0.66 -3.43 119.26 121.06 2g18 h ALA 226 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2g18 h ALA 226 Cb 0.18 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2g18 h ALA 226 CO 0.01 0.72 0.00 1.19 0.00 0.00 0.00 179.25 181.17 2g18 n PHE 227 N -3.98 0.00 0.00 0.00 3.01 0.27 -4.74 117.46 112.02 2g18 n PHE 227 Ca -0.22 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2g18 n PHE 227 Cb 0.88 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.35 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 -0.01 0.63 0.16 1.37 0.00 0.15 -4.55 105.19 102.93 2g18 n GLY 228 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 1.15 -0.35 1.61 2.07 -1.90 -2.74 116.25 116.10 2g18 h VAL 229 Ca 0.00 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 2g18 h VAL 229 Cb 0.00 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2g18 h VAL 229 CO 0.00 0.16 -0.36 0.44 0.02 0.00 0.00 177.57 177.83 2g18 h ASP 230 N 0.39 0.86 -0.47 0.57 5.19 -1.97 -0.39 116.42 120.60 2g18 h ASP 230 Ca 0.11 -0.37 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2g18 h ASP 230 Cb 0.11 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 2g18 h ASP 230 CO -0.01 1.12 0.29 -0.25 -3.12 0.00 0.00 179.24 177.27 2g18 h TRP 231 N 0.67 0.62 -0.70 4.55 7.01 -1.79 -0.97 115.95 125.34 2g18 h TRP 231 Ca 0.06 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 2g18 h TRP 231 Cb 0.91 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 2g18 h TRP 231 CO 0.05 0.42 0.31 0.00 -2.79 0.00 0.00 178.44 176.44 2g18 h ALA 232 N 1.14 0.90 -0.38 2.65 0.00 -1.26 -0.60 119.26 121.72 2g18 h ALA 232 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2g18 h ALA 232 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2g18 h ALA 232 CO -0.03 0.49 0.06 1.49 0.00 0.00 0.00 179.25 181.26 2g18 h GLU 233 N 0.98 0.64 -0.80 0.00 4.57 -0.81 -1.20 114.58 117.98 2g18 h GLU 233 Ca 0.24 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2g18 h GLU 233 Cb 0.16 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 2g18 h GLU 233 CO -0.03 0.70 0.50 -0.97 -1.18 0.00 0.00 179.01 178.03 2g18 h ASN 234 N 0.48 0.94 -0.07 1.04 -0.73 -0.96 -2.15 115.58 114.13 2g18 h ASN 234 Ca 0.12 -0.04 -0.23 0.00 1.87 0.00 0.00 56.30 58.01 2g18 h ASN 234 Cb 0.37 -0.24 0.01 0.00 0.27 0.00 0.00 38.32 38.74 2g18 h ASN 234 CO 0.01 0.70 -0.85 0.22 -0.37 0.00 0.00 177.43 177.14 2g18 h TYR 235 N 1.09 1.02 -0.92 0.67 3.20 -0.62 -0.64 116.97 120.76 2g18 h TYR 235 Ca 0.29 -0.48 0.00 0.00 3.14 0.00 0.00 58.73 61.68 2g18 h TYR 235 Cb -0.08 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.00 2g18 h TYR 235 CO 0.00 1.31 0.59 0.52 -1.64 0.00 0.00 178.16 178.94 2g18 h MET 236 N 0.48 1.22 0.00 1.82 2.86 -1.11 -0.46 114.93 119.75 2g18 h MET 236 Ca -0.07 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2g18 h MET 236 Cb 1.48 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2g18 h MET 236 CO 0.17 0.83 -1.13 0.25 1.06 0.00 0.00 176.91 178.08 2g18 n THR 237 N -4.42 0.40 0.11 2.22 -2.24 -0.82 -1.68 114.28 107.86 2g18 n THR 237 Ca 0.10 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.46 2g18 n THR 237 Cb 0.03 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.41 0.00 -0.03 4.28 -2.24 -0.26 -3.56 114.28 110.06 2g18 n THR 238 Ca 0.00 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 2g18 n THR 238 Cb 0.52 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.52 0.32 -0.03 2.28 0.31 -0.24 -4.67 118.33 114.78 2g18 n VAL 239 Ca -0.00 -0.09 -0.19 0.00 -0.01 0.00 0.00 64.34 64.05 2g18 n VAL 239 Cb 0.15 -1.49 -0.13 0.00 -0.91 0.00 0.00 33.84 31.46 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 -0.19 0.21 -5.00 7.52 3.38 -1.51 -3.42 115.31 116.30 2g18 h LEU 240 Ca -0.15 -0.84 -0.39 0.00 0.09 0.00 0.00 57.88 56.59 2g18 h LEU 240 Cb 1.14 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 41.42 2g18 h LEU 240 CO -0.08 1.37 -1.14 0.49 0.09 0.00 0.00 178.44 179.17 2g18 n PHE 241 N -4.26 1.37 -2.06 1.13 3.72 -0.68 -5.02 117.46 111.67 2g18 n PHE 241 Ca -0.20 -2.88 -0.41 0.00 -0.05 0.00 0.00 57.45 53.91 2g18 n PHE 241 Cb 0.72 -0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 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 -3.14 6.70 0.47 4.37 -4.77 -1.23 -4.74 116.67 114.33 2g18 s ASP 242 Ca 0.30 2.75 -0.23 0.00 -3.30 0.00 0.00 52.55 52.07 2g18 s ASP 242 Cb 0.45 -2.65 -0.07 0.00 -1.09 0.00 0.00 42.92 39.56 2g18 s ASP 242 CO 0.01 -0.59 1.23 -0.76 0.70 0.00 0.00 175.17 175.76 2g18 s LEU 243 N -1.82 4.01 0.14 2.11 1.43 -1.26 -4.93 118.68 118.36 2g18 s LEU 243 Ca 0.50 2.47 -0.22 0.00 -1.03 0.00 0.00 54.13 55.84 2g18 s LEU 243 Cb -0.41 -4.19 0.01 0.00 0.03 0.00 0.00 46.19 41.63 2g18 s LEU 243 CO 0.54 -1.05 1.64 -0.65 0.23 0.00 0.00 176.35 177.07 2g18 h PRO 244 N 2.03 -0.23 -0.03 1.29 0.11 -1.92 -3.52 132.00 129.73 2g18 h PRO 244 Ca -0.50 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2g18 h PRO 244 Cb 1.26 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2g18 h PRO 244 CO 0.60 -0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.63