#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g18 h LEU 9 N 0.00 0.01 -2.59 2.46 5.85 -1.99 -2.75 115.31 116.29 2g18 h LEU 9 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2g18 h LEU 9 Cb 0.00 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2g18 h LEU 9 CO 0.00 0.00 0.04 0.08 -0.34 0.00 0.00 178.44 178.23 2g18 h ARG 10 N 0.01 0.00 0.00 1.25 0.11 -1.97 -0.19 114.38 113.59 2g18 h ARG 10 Ca 0.29 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.32 2g18 h ARG 10 Cb 1.15 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 2g18 h ARG 10 CO -0.01 0.00 -0.23 0.93 0.10 0.00 0.00 179.97 180.76 2g18 h GLU 11 N 0.00 0.00 -0.01 0.08 4.39 -1.91 -2.57 114.58 114.55 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 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2g18 h GLU 11 CO -0.00 0.23 -0.05 1.04 -1.16 0.00 0.00 179.01 179.08 2g18 n GLN 12 N -4.00 1.43 -3.60 2.33 6.02 -0.09 -4.97 117.38 114.50 2g18 n GLN 12 Ca -0.02 -0.77 -0.20 0.00 -0.01 0.00 0.00 57.00 56.00 2g18 n GLN 12 Cb 0.31 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 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 -2.10 2.79 0.19 -1.09 -0.21 -0.97 -5.05 119.66 113.22 2g18 s GLN 13 Ca 0.36 -1.27 -0.32 0.00 0.02 0.00 0.00 55.36 54.15 2g18 s GLN 13 Cb 0.21 -2.57 -0.16 0.00 1.00 0.00 0.00 33.01 31.50 2g18 s GLN 13 CO 0.37 -0.00 1.11 1.58 -2.12 0.00 0.00 175.29 176.23 2g18 n HIS 14 N -1.52 1.20 0.20 0.91 -0.00 -1.26 -4.72 115.22 110.03 2g18 n HIS 14 Ca 0.01 0.70 0.11 0.00 -0.00 0.00 0.00 57.72 58.54 2g18 n HIS 14 Cb 0.60 -2.26 0.66 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 3.03 0.00 -0.12 1.57 0.11 -1.97 0.22 132.00 134.84 2g18 h PRO 15 Ca -0.42 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 2g18 h PRO 15 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 2g18 h PRO 15 CO 0.68 0.00 -0.54 1.25 -0.21 0.00 0.00 178.00 179.17 2g18 h LEU 16 N 0.00 0.40 -0.13 2.35 5.85 -1.99 -0.89 115.31 120.90 2g18 h LEU 16 Ca 0.06 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2g18 h LEU 16 Cb 0.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2g18 h LEU 16 CO -0.00 0.87 0.06 0.40 -0.34 0.00 0.00 178.44 179.43 2g18 h ILE 17 N 0.28 1.13 -0.22 4.05 2.04 -1.31 -0.14 117.51 123.34 2g18 h ILE 17 Ca 0.00 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2g18 h ILE 17 Cb 1.04 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 2g18 h ILE 17 CO 0.09 0.11 -0.13 -0.09 0.00 0.00 0.00 178.15 178.14 2g18 h ARG 18 N 0.08 -0.11 -0.21 2.37 2.43 -1.32 0.17 114.38 117.79 2g18 h ARG 18 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2g18 h ARG 18 Cb 0.13 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2g18 h ARG 18 CO -0.01 -0.07 0.14 1.96 -1.51 0.00 0.00 179.97 180.48 2g18 h GLN 19 N -0.11 0.28 -0.60 0.20 4.20 -1.10 -0.66 115.11 117.32 2g18 h GLN 19 Ca 0.12 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 2g18 h GLN 19 Cb 0.29 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2g18 h GLN 19 CO -0.29 0.18 0.23 1.25 -0.67 0.00 0.00 178.83 179.54 2g18 h LEU 20 N 0.29 0.84 0.12 1.46 5.85 -0.76 -0.51 115.31 122.59 2g18 h LEU 20 Ca 0.08 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2g18 h LEU 20 Cb -0.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.78 2g18 h LEU 20 CO -0.02 0.79 -0.06 0.00 -0.34 0.00 0.00 178.44 178.81 2g18 h ALA 21 N 1.08 -0.16 -0.98 1.25 0.00 -0.39 -0.62 119.26 119.44 2g18 h ALA 21 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2g18 h ALA 21 Cb 0.22 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2g18 h ALA 21 CO -0.01 -0.58 0.64 -0.44 0.00 0.00 0.00 179.25 178.86 2g18 h ASP 22 N -0.19 1.08 -0.40 0.00 3.32 -1.07 -2.37 116.42 116.80 2g18 h ASP 22 Ca -0.02 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 2g18 h ASP 22 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2g18 h ASP 22 CO 0.03 0.75 -0.14 0.00 -1.72 0.00 0.00 179.24 178.16 2g18 h ILE 24 N 0.62 1.20 -0.46 0.00 2.04 -0.97 -1.56 117.51 118.37 2g18 h ILE 24 Ca 0.10 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.27 2g18 h ILE 24 Cb 0.68 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2g18 h ILE 24 CO 0.05 0.23 -0.17 -0.33 0.00 0.00 0.00 178.15 177.93 2g18 h GLU 25 N 0.72 0.90 -0.20 2.37 5.08 -1.29 -1.67 114.58 120.49 2g18 h GLU 25 Ca 0.18 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2g18 h GLU 25 Cb 0.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2g18 h GLU 25 CO -0.02 1.00 0.11 1.49 -1.00 0.00 0.00 179.01 180.58 2g18 h GLU 26 N 0.79 0.28 -0.36 2.33 4.81 -0.84 -0.81 114.58 120.78 2g18 h GLU 26 Ca 0.12 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2g18 h GLU 26 Cb 0.71 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2g18 h GLU 26 CO 0.05 0.27 0.21 0.28 -0.73 0.00 0.00 179.01 179.09 2g18 h VAL 27 N 0.21 1.13 -0.30 0.32 2.07 -1.20 -1.78 116.25 116.69 2g18 h VAL 27 Ca 0.07 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.34 2g18 h VAL 27 Cb 0.08 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2g18 h VAL 27 CO -0.01 0.13 -0.10 -0.50 0.02 0.00 0.00 177.57 177.11 2g18 h TRP 28 N 0.47 -0.23 0.00 1.57 6.55 -1.06 -0.72 115.95 122.53 2g18 h TRP 28 Ca 0.13 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.89 2g18 h TRP 28 Cb 0.03 0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.46 2g18 h TRP 28 CO -0.03 -0.16 -0.53 1.12 -1.05 0.00 0.00 178.44 177.78 2g18 h HIS 29 N -0.04 0.00 -0.04 0.49 2.07 -0.97 -1.37 115.15 115.29 2g18 h HIS 29 Ca 0.15 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.48 2g18 h HIS 29 Cb 0.26 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.26 2g18 h HIS 29 CO -0.31 0.53 -0.74 1.96 -3.07 0.00 0.00 177.93 176.31 2g18 h GLN 30 N 0.00 0.58 0.00 5.12 1.08 -0.97 -3.37 115.11 117.54 2g18 h GLN 30 Ca -0.01 -0.56 -0.17 0.00 -1.45 0.00 0.00 58.65 56.46 2g18 h GLN 30 Cb 0.98 0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 2g18 h GLN 30 CO 0.07 1.18 -1.56 0.72 -0.95 0.00 0.00 178.83 178.29 2g18 n HIS 31 N -4.07 0.79 -4.58 2.96 8.25 -0.31 -4.99 115.22 113.27 2g18 n HIS 31 Ca -0.10 0.26 -0.27 0.00 -0.26 0.00 0.00 57.72 57.36 2g18 n HIS 31 Cb 0.73 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.70 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 -5.63 2.81 -0.68 2.41 1.43 -0.52 -5.00 118.68 113.49 2g18 s LEU 32 Ca -0.04 -1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 51.66 2g18 s LEU 32 Cb 0.09 -0.95 0.18 0.00 0.03 0.00 0.00 46.19 45.54 2g18 s LEU 32 CO 0.82 -0.33 0.58 -0.62 0.23 0.00 0.00 176.35 177.03 2g18 s ASP 33 N -3.66 6.19 0.02 2.29 2.15 -1.26 -4.72 116.67 117.68 2g18 s ASP 33 Ca 0.34 -2.43 -0.24 0.00 0.43 0.00 0.00 52.55 50.65 2g18 s ASP 33 Cb 0.06 -2.11 -0.05 0.00 -0.30 0.00 0.00 42.92 40.53 2g18 s ASP 33 CO 0.17 -0.61 0.74 -0.76 -0.17 0.00 0.00 175.17 174.55 2g18 s LEU 34 N 0.58 4.42 0.25 -1.34 1.43 -1.26 -4.44 118.68 118.32 2g18 s LEU 34 Ca 0.13 1.38 0.11 0.00 -1.03 0.00 0.00 54.13 54.72 2g18 s LEU 34 Cb -0.18 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 2g18 s LEU 34 CO -0.04 -0.01 -0.20 -0.44 0.23 0.00 0.00 176.35 175.89 2g18 s SER 35 N 0.11 3.41 0.63 2.29 0.01 0.03 -4.97 113.70 115.21 2g18 s SER 35 Ca 0.38 -0.99 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 2g18 s SER 35 Cb -0.20 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 2g18 s SER 35 CO 0.22 0.03 1.10 -2.16 0.41 0.00 0.00 173.24 172.83 2g18 s PRO 36 N -3.33 2.99 -0.11 12.44 0.04 -1.26 -0.92 135.00 144.84 2g18 s PRO 36 Ca 0.27 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 2g18 s PRO 36 Cb -0.05 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2g18 s PRO 36 CO 0.13 -1.10 -0.07 -0.47 0.04 0.00 0.00 177.00 175.53 2g18 s TYR 37 N -2.32 1.40 -0.02 0.56 5.04 -1.01 -4.47 117.35 116.53 2g18 s TYR 37 Ca 0.67 -0.69 -0.22 0.00 -2.44 0.00 0.00 57.07 54.39 2g18 s TYR 37 Cb -0.20 -1.19 -0.05 0.00 0.35 0.00 0.00 41.96 40.88 2g18 s TYR 37 CO 0.39 -0.50 0.64 -1.01 -1.34 0.00 0.00 175.55 173.73 2g18 s HIS 38 N 1.74 3.65 0.49 4.97 3.76 -1.26 -4.53 115.29 124.11 2g18 s HIS 38 Ca 0.05 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 2g18 s HIS 38 Cb -0.13 -2.68 0.01 0.00 1.11 0.00 0.00 32.58 30.89 2g18 s HIS 38 CO -0.08 0.26 0.72 -0.51 -0.85 0.00 0.00 174.74 174.28 2g18 s LEU 39 N 0.13 3.51 0.13 0.89 1.43 -1.26 -5.03 118.68 118.48 2g18 s LEU 39 Ca 0.33 0.23 -0.35 0.00 -1.03 0.00 0.00 54.13 53.32 2g18 s LEU 39 Cb -0.18 -3.11 -0.16 0.00 0.03 0.00 0.00 46.19 42.78 2g18 s LEU 39 CO 0.18 -0.86 1.37 -2.65 0.23 0.00 0.00 176.35 174.62 2g18 n PRO 40 N -2.19 1.45 -0.28 1.29 -0.02 -1.26 -4.83 135.00 129.15 2g18 n PRO 40 Ca 0.03 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 62.13 2g18 n PRO 40 Cb 0.58 -2.17 0.24 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.64 1.13 -0.63 3.55 0.00 -2.02 0.41 119.26 126.34 2g18 h ALA 41 Ca -0.46 0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.84 2g18 h ALA 41 Cb 1.31 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2g18 h ALA 41 CO 0.79 -0.42 0.57 0.93 0.00 0.00 0.00 179.25 181.12 2g18 h GLU 42 N 0.22 0.00 0.00 0.00 5.08 -1.91 -2.62 114.58 115.35 2g18 h GLU 42 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2g18 h GLU 42 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2g18 h GLU 42 CO -0.62 0.00 -0.80 1.28 -1.00 0.00 0.00 179.01 177.87 2g18 n LEU 43 N -3.89 0.73 0.09 1.33 4.77 0.14 -4.07 117.00 116.11 2g18 n LEU 43 Ca 0.13 -0.23 0.01 0.00 -0.03 0.00 0.00 56.01 55.88 2g18 n LEU 43 Cb 0.81 -0.12 0.32 0.00 -2.33 0.00 0.00 43.42 42.11 2g18 n LEU 43 CO 0.31 0.17 0.83 1.23 -1.33 0.00 0.00 177.39 178.60 2g18 h GLY 44 N 4.94 0.32 -6.66 -0.72 0.00 -1.45 -3.42 103.07 96.08 2g18 h GLY 44 Ca 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 47.33 46.87 2g18 h GLY 44 CO 0.00 0.20 -0.57 -0.47 0.00 0.00 0.00 176.54 175.71 2g18 s TYR 45 N -4.61 -0.34 -0.07 5.60 5.04 -1.26 -0.62 117.35 121.09 2g18 s TYR 45 Ca -0.06 0.85 0.03 0.00 -2.44 0.00 0.00 57.07 55.45 2g18 s TYR 45 Cb 0.15 -0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.35 2g18 s TYR 45 CO 0.75 -0.32 -0.14 0.08 -1.34 0.00 0.00 175.55 174.57 2g18 s VAL 46 N 2.37 1.30 -0.04 3.14 1.01 0.35 -4.91 120.40 123.61 2g18 s VAL 46 Ca 0.02 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.49 2g18 s VAL 46 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2g18 s VAL 46 CO -0.08 0.39 -0.25 -1.61 0.00 0.00 0.00 175.10 173.56 2g18 s GLU 47 N 0.61 2.34 0.00 2.72 2.02 -1.26 -0.84 118.70 124.30 2g18 s GLU 47 Ca -0.15 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2g18 s GLU 47 Cb -0.16 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 31.98 2g18 s GLU 47 CO 0.05 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.19 2g18 n GLY 48 N 2.74 2.72 3.01 -1.39 0.00 0.06 -4.99 105.19 107.34 2g18 n GLY 48 Ca -0.17 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.32 0.44 -0.23 1.61 1.81 -1.26 -0.39 118.95 119.62 2g18 s ARG 49 Ca 0.00 -0.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.42 2g18 s ARG 49 Cb 0.00 -0.27 0.11 0.00 -0.45 0.00 0.00 34.95 34.34 2g18 s ARG 49 CO 0.00 0.05 0.45 -1.17 -0.68 0.00 0.00 175.30 173.95 2g18 s LEU 50 N -1.05 -0.74 -1.54 2.53 2.96 0.09 -4.64 118.68 116.29 2g18 s LEU 50 Ca -0.07 0.88 -0.14 0.00 -0.22 0.00 0.00 54.13 54.58 2g18 s LEU 50 Cb -0.07 1.45 0.10 0.00 0.50 0.00 0.00 46.19 48.17 2g18 s LEU 50 CO 0.00 -0.25 0.86 -0.62 -1.32 0.00 0.00 176.35 175.02 2g18 n GLU 51 N 5.39 -4.65 0.00 1.98 -0.58 -1.26 -0.34 120.64 121.18 2g18 n GLU 51 Ca -0.07 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 2g18 n GLU 51 Cb 0.50 -5.37 0.00 0.00 -0.57 0.00 0.00 31.44 26.00 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 -1.54 3.03 3.78 0.62 0.00 -1.26 -5.01 105.19 104.82 2g18 n GLY 52 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.11 4.57 0.15 1.61 0.41 0.53 -5.02 118.70 120.84 2g18 s GLU 53 Ca 0.00 1.23 -0.31 0.00 -0.41 0.00 0.00 54.97 55.48 2g18 s GLU 53 Cb 0.00 -3.01 -0.09 0.00 -1.78 0.00 0.00 34.13 29.25 2g18 s GLU 53 CO 0.00 0.41 1.39 0.21 -0.49 0.00 0.00 175.26 176.79 2g18 s LYS 54 N -1.67 4.32 -0.15 1.61 2.20 -1.26 -0.73 119.74 124.06 2g18 s LYS 54 Ca 0.44 2.12 -0.04 0.00 -0.36 0.00 0.00 55.97 58.13 2g18 s LYS 54 Cb -0.21 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2g18 s LYS 54 CO 0.25 -0.41 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.64 2g18 s LEU 55 N 0.68 3.36 -0.02 5.43 0.20 0.48 -0.68 118.68 128.13 2g18 s LEU 55 Ca 0.63 -0.06 0.02 0.00 0.69 0.00 0.00 54.13 55.40 2g18 s LEU 55 Cb -0.38 -1.81 0.01 0.00 -0.43 0.00 0.00 46.19 43.58 2g18 s LEU 55 CO 0.33 0.20 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.64 2g18 s THR 56 N 0.17 0.63 -0.05 3.68 2.01 -0.21 -0.76 115.64 121.09 2g18 s THR 56 Ca -0.01 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.76 2g18 s THR 56 Cb -0.13 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.81 2g18 s THR 56 CO 0.02 0.21 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.41 2g18 s ILE 57 N 0.30 1.10 -0.17 1.82 1.01 -0.02 -0.94 121.20 124.29 2g18 s ILE 57 Ca -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2g18 s ILE 57 Cb -0.09 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.42 2g18 s ILE 57 CO 0.00 0.34 -0.15 -0.70 0.00 0.00 0.00 174.94 174.43 2g18 s GLU 58 N 0.48 2.46 -0.02 2.79 2.12 0.54 -0.50 118.70 126.59 2g18 s GLU 58 Ca -0.11 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.54 2g18 s GLU 58 Cb -0.14 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 2g18 s GLU 58 CO 0.03 -0.28 -0.17 -0.80 -0.54 0.00 0.00 175.26 173.49 2g18 s ASN 59 N 1.39 3.80 -0.08 -1.70 0.01 0.20 -1.39 114.94 117.17 2g18 s ASN 59 Ca 0.03 -0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 51.84 2g18 s ASN 59 Cb -0.14 -0.69 0.04 0.00 0.41 0.00 0.00 41.25 40.87 2g18 s ASN 59 CO -0.11 0.31 0.17 -0.60 -1.51 0.00 0.00 177.10 175.37 2g18 s ARG 60 N -0.93 0.10 0.01 -0.60 3.52 0.01 -4.79 118.95 116.26 2g18 s ARG 60 Ca 0.12 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.20 2g18 s ARG 60 Cb -0.10 -0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.09 2g18 s ARG 60 CO 0.02 -0.21 -0.07 0.00 -0.81 0.00 0.00 175.30 174.24 2g18 s TYR 62 N -0.45 1.62 0.12 0.00 1.51 0.54 -2.40 117.35 118.29 2g18 s TYR 62 Ca -0.01 -1.32 -0.07 0.00 -1.01 0.00 0.00 57.07 54.67 2g18 s TYR 62 Cb -0.04 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 2g18 s TYR 62 CO -0.00 -0.46 0.17 1.14 -1.11 0.00 0.00 175.55 175.30 2g18 s GLN 63 N -3.84 0.94 0.27 -0.62 -2.07 -0.10 0.35 119.66 114.58 2g18 s GLN 63 Ca 0.35 -1.14 -0.04 0.00 -1.82 0.00 0.00 55.36 52.71 2g18 s GLN 63 Cb 0.05 0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 32.28 2g18 s GLN 63 CO 0.17 -0.30 0.33 0.95 -1.32 0.00 0.00 175.29 175.12 2g18 s THR 64 N -3.93 0.00 0.57 3.63 -4.23 -0.65 -0.79 115.64 110.23 2g18 s THR 64 Ca 0.12 -1.74 0.27 0.00 -1.18 0.00 0.00 61.69 59.17 2g18 s THR 64 Cb 0.05 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.80 2g18 s THR 64 CO -0.05 0.00 2.05 -0.65 -0.54 0.00 0.00 174.62 175.43 2g18 h PRO 65 N 2.33 0.00 0.00 3.99 0.11 -2.02 -2.60 132.00 133.81 2g18 h PRO 65 Ca -0.30 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.62 2g18 h PRO 65 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2g18 h PRO 65 CO 0.42 0.00 -1.85 1.04 -0.21 0.00 0.00 178.00 177.41 2g18 n GLN 66 N -3.99 0.65 -4.05 1.05 3.00 -1.26 -4.86 117.38 107.93 2g18 n GLN 66 Ca 0.04 0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.75 2g18 n GLN 66 Cb 0.42 -1.65 -0.15 0.00 0.00 0.00 0.00 30.24 28.85 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 -2.92 2.87 0.36 1.08 0.40 -0.98 -0.00 117.98 118.78 2g18 s PHE 67 Ca -0.06 -1.23 0.04 0.00 -0.60 0.00 0.00 56.93 55.08 2g18 s PHE 67 Cb 0.09 -2.01 0.70 0.00 0.51 0.00 0.00 43.02 42.31 2g18 s PHE 67 CO 0.84 -0.64 1.98 -0.09 0.70 0.00 0.00 175.22 178.01 2g18 h ARG 68 N 7.96 0.77 -1.75 0.44 2.43 -0.88 -1.73 114.38 121.62 2g18 h ARG 68 Ca -0.42 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 58.76 2g18 h ARG 68 Cb 1.15 -0.17 -0.24 0.00 -0.42 0.00 0.00 29.97 30.29 2g18 h ARG 68 CO 0.62 0.51 0.23 0.21 -1.51 0.00 0.00 179.97 180.02 2g18 s LYS 69 N -5.69 0.55 -0.19 0.20 2.20 -1.14 -4.68 119.74 110.99 2g18 s LYS 69 Ca -0.10 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 2g18 s LYS 69 Cb 0.19 0.13 0.04 0.00 -1.51 0.00 0.00 37.83 36.68 2g18 s LYS 69 CO 0.77 -0.11 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.92 2g18 s MET 70 N 1.34 1.82 -0.12 4.03 -1.94 0.15 -0.36 119.30 124.22 2g18 s MET 70 Ca -0.08 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.21 2g18 s MET 70 Cb -0.04 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.54 2g18 s MET 70 CO -0.16 -0.43 -0.23 -1.58 -0.01 0.00 0.00 175.02 172.62 2g18 s HIS 71 N 1.48 2.63 -0.15 -0.03 5.04 -0.27 -0.34 115.29 123.65 2g18 s HIS 71 Ca -0.00 -1.21 0.01 0.00 -1.54 0.00 0.00 55.06 52.32 2g18 s HIS 71 Cb -0.16 -1.77 0.02 0.00 0.04 0.00 0.00 32.58 30.71 2g18 s HIS 71 CO -0.08 -0.52 -0.16 -1.17 -2.34 0.00 0.00 174.74 170.46 2g18 s LEU 72 N 0.60 1.85 -0.09 8.88 2.96 0.59 -1.62 118.68 131.85 2g18 s LEU 72 Ca -0.12 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.29 2g18 s LEU 72 Cb -0.17 -1.28 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 2g18 s LEU 72 CO 0.03 -0.03 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.09 2g18 s GLU 73 N 1.35 2.98 -0.05 1.98 2.12 0.28 -0.81 118.70 126.55 2g18 s GLU 73 Ca 0.03 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 54.53 2g18 s GLU 73 Cb -0.13 -2.29 -0.00 0.00 0.26 0.00 0.00 34.13 31.97 2g18 s GLU 73 CO -0.10 0.21 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.13 2g18 s LEU 74 N 0.27 1.94 0.02 2.70 1.43 -0.49 -0.56 118.68 124.00 2g18 s LEU 74 Ca -0.17 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2g18 s LEU 74 Cb -0.17 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 2g18 s LEU 74 CO 0.08 0.16 -0.04 0.00 0.23 0.00 0.00 176.35 176.79 2g18 s ALA 75 N 0.06 0.19 -0.02 4.21 0.00 0.49 -0.34 121.76 126.36 2g18 s ALA 75 Ca -0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 2g18 s ALA 75 Cb -0.13 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2g18 s ALA 75 CO 0.03 -0.12 0.04 0.21 0.00 0.00 0.00 175.76 175.92 2g18 s LYS 76 N -1.37 0.01 -0.29 0.00 2.20 -0.12 -0.32 119.74 119.84 2g18 s LYS 76 Ca -0.14 0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2g18 s LYS 76 Cb -0.09 -0.11 0.07 0.00 -1.51 0.00 0.00 37.83 36.20 2g18 s LYS 76 CO -0.01 -0.08 -0.05 0.08 -0.36 0.00 0.00 175.35 174.93 2g18 s VAL 77 N 0.53 2.25 0.00 4.02 1.01 0.07 -1.05 120.40 127.23 2g18 s VAL 77 Ca -0.04 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.06 2g18 s VAL 77 Cb -0.06 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2g18 s VAL 77 CO -0.02 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2g18 n GLY 78 N 4.38 2.17 0.99 4.51 0.00 0.14 -0.79 105.19 116.60 2g18 n GLY 78 Ca -0.08 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 1.20 3.46 -0.01 1.61 3.02 -1.26 -4.57 115.26 118.72 2g18 n ASN 79 Ca 0.00 -2.03 -0.09 0.00 -0.03 0.00 0.00 54.58 52.43 2g18 n ASN 79 Cb 0.00 -0.36 -0.14 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 3.10 0.02 -2.81 3.52 2.86 -1.34 -3.21 114.93 117.07 2g18 h MET 80 Ca 0.00 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 2g18 h MET 80 Cb 0.88 0.01 -0.28 0.00 0.06 0.00 0.00 31.60 32.28 2g18 h MET 80 CO 0.01 0.62 -0.37 -1.17 1.06 0.00 0.00 176.91 177.05 2g18 s LEU 81 N -6.25 0.16 -0.04 1.22 2.96 -0.93 -4.47 118.68 111.32 2g18 s LEU 81 Ca -0.05 0.73 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2g18 s LEU 81 Cb 0.08 1.09 -0.00 0.00 0.50 0.00 0.00 46.19 47.87 2g18 s LEU 81 CO 0.82 -0.18 -0.16 -1.81 -1.32 0.00 0.00 176.35 173.71 2g18 s ASP 82 N 1.26 2.03 -0.02 3.68 1.01 -0.51 -0.75 116.67 123.37 2g18 s ASP 82 Ca -0.09 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.85 2g18 s ASP 82 Cb -0.09 -0.61 0.02 0.00 1.01 0.00 0.00 42.92 43.24 2g18 s ASP 82 CO -0.10 0.13 -0.03 -0.63 0.21 0.00 0.00 175.17 174.75 2g18 s ILE 83 N 0.13 0.34 -0.09 0.77 1.01 0.56 -0.77 121.20 123.16 2g18 s ILE 83 Ca -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2g18 s ILE 83 Cb -0.12 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 2g18 s ILE 83 CO 0.02 0.15 -0.22 -0.22 0.00 0.00 0.00 174.94 174.67 2g18 s LEU 84 N 0.59 2.20 -0.04 2.97 0.20 -0.13 -0.38 118.68 124.09 2g18 s LEU 84 Ca -0.07 -0.49 0.02 0.00 0.69 0.00 0.00 54.13 54.28 2g18 s LEU 84 Cb -0.10 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.25 2g18 s LEU 84 CO -0.01 0.20 -0.07 -2.28 -0.29 0.00 0.00 176.35 173.91 2g18 s HIS 85 N 0.10 0.89 -0.03 5.38 5.65 0.28 -0.36 115.29 127.20 2g18 s HIS 85 Ca -0.11 -0.25 -0.01 0.00 0.25 0.00 0.00 55.06 54.94 2g18 s HIS 85 Cb -0.16 -0.70 0.03 0.00 -1.18 0.00 0.00 32.58 30.57 2g18 s HIS 85 CO 0.06 -0.17 0.03 0.00 -0.65 0.00 0.00 174.74 174.02 2g18 s VAL 87 N 1.41 0.68 -0.17 0.00 1.01 -0.64 -1.08 120.40 121.60 2g18 s VAL 87 Ca -0.05 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2g18 s VAL 87 Cb -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2g18 s VAL 87 CO -0.03 -0.00 -0.15 -0.04 0.00 0.00 0.00 175.10 174.88 2g18 s MET 88 N -0.72 3.17 -0.34 2.72 -1.94 -0.21 -1.12 119.30 120.87 2g18 s MET 88 Ca -0.01 -0.75 -0.08 0.00 -1.71 0.00 0.00 55.69 53.14 2g18 s MET 88 Cb -0.06 -2.68 0.03 0.00 2.01 0.00 0.00 34.83 34.13 2g18 s MET 88 CO 0.00 -0.09 0.13 -0.06 -0.01 0.00 0.00 175.02 175.00 2g18 s PHE 89 N 1.08 3.22 0.59 -0.03 0.40 0.51 -3.58 117.98 120.17 2g18 s PHE 89 Ca -0.00 -1.11 -0.18 0.00 -0.60 0.00 0.00 56.93 55.04 2g18 s PHE 89 Cb -0.14 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.02 2g18 s PHE 89 CO -0.04 -0.65 1.12 -2.14 0.70 0.00 0.00 175.22 174.21 2g18 s PRO 90 N 1.49 3.13 0.29 0.24 0.02 -1.26 -0.32 135.00 138.59 2g18 s PRO 90 Ca 0.01 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 2g18 s PRO 90 Cb -0.19 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 2g18 s PRO 90 CO 0.04 -1.01 1.52 1.03 -0.33 0.00 0.00 177.00 178.25 2g18 s ARG 91 N -3.64 4.18 0.00 5.54 0.52 0.99 -4.40 118.95 122.14 2g18 s ARG 91 Ca 0.70 2.47 0.09 0.00 -0.52 0.00 0.00 55.73 58.47 2g18 s ARG 91 Cb -0.22 -3.05 0.41 0.00 0.52 0.00 0.00 34.95 32.61 2g18 s ARG 91 CO 0.33 -0.53 1.25 -0.35 0.02 0.00 0.00 175.30 176.02 2g18 n PRO 92 N 2.02 0.04 0.12 3.54 -0.04 -1.26 -1.03 135.00 138.39 2g18 n PRO 92 Ca 0.07 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 2g18 n PRO 92 Cb 0.39 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.43 0.17 -4.90 0.54 4.71 -1.26 -4.70 120.64 113.78 2g18 n GLU 93 Ca 0.03 0.44 -0.33 0.00 -0.01 0.00 0.00 57.16 57.29 2g18 n GLU 93 Cb 0.10 -1.86 -0.14 0.00 -1.01 0.00 0.00 31.44 28.53 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 -3.32 2.70 -1.37 -0.32 1.51 -0.20 -1.71 117.35 114.64 2g18 s TYR 94 Ca 0.04 -0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 55.69 2g18 s TYR 94 Cb 0.09 -1.67 0.09 0.00 -0.11 0.00 0.00 41.96 40.36 2g18 s TYR 94 CO 0.36 0.09 2.02 -3.47 -1.11 0.00 0.00 175.55 173.44 2g18 n ASP 95 N 2.57 4.44 -4.20 2.29 2.03 -1.26 -4.83 116.55 117.59 2g18 n ASP 95 Ca -0.17 -2.94 -0.26 0.00 0.52 0.00 0.00 54.79 51.93 2g18 n ASP 95 Cb 0.52 -1.61 -0.16 0.00 -0.72 0.00 0.00 41.12 39.16 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 1.61 2.03 1.11 -2.67 1.43 -1.26 -4.88 118.68 116.06 2g18 s LEU 96 Ca 0.45 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 2g18 s LEU 96 Cb 0.11 -1.02 0.25 0.00 0.03 0.00 0.00 46.19 45.55 2g18 s LEU 96 CO -0.04 0.24 1.12 -2.16 0.23 0.00 0.00 176.35 175.74 2g18 s PRO 97 N -0.45 -0.51 -0.30 1.29 0.04 -1.26 -4.64 135.00 129.16 2g18 s PRO 97 Ca 0.07 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.08 2g18 s PRO 97 Cb -0.08 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 2g18 s PRO 97 CO -0.01 -3.28 0.34 -1.64 0.04 0.00 0.00 177.00 172.46 2g18 s MET 98 N -5.28 3.83 0.07 4.56 -1.94 0.16 -4.71 119.30 115.99 2g18 s MET 98 Ca 0.69 -0.20 -0.27 0.00 -1.71 0.00 0.00 55.69 54.21 2g18 s MET 98 Cb -0.13 -3.72 -0.06 0.00 2.01 0.00 0.00 34.83 32.94 2g18 s MET 98 CO 0.56 -0.36 0.83 0.12 -0.01 0.00 0.00 175.02 176.16 2g18 s PHE 99 N 2.00 3.77 -0.09 -0.03 5.36 -1.24 -0.47 117.98 127.28 2g18 s PHE 99 Ca 0.12 1.59 -0.11 0.00 -0.96 0.00 0.00 56.93 57.58 2g18 s PHE 99 Cb -0.16 -2.89 0.03 0.00 -0.34 0.00 0.00 43.02 39.65 2g18 s PHE 99 CO 0.11 0.27 0.29 0.20 -1.46 0.00 0.00 175.22 174.63 2g18 s GLY 100 N -0.12 -0.20 -0.02 13.12 0.00 -0.61 -1.04 107.32 118.45 2g18 s GLY 100 Ca 0.41 0.73 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 2g18 s GLY 100 CO 0.25 0.60 0.26 0.00 0.00 0.00 0.00 173.10 174.21 2g18 s ASP 102 N -1.25 0.21 -0.04 0.00 1.01 -0.18 -0.53 116.67 115.89 2g18 s ASP 102 Ca -0.13 -0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.03 2g18 s ASP 102 Cb -0.06 -0.00 0.02 0.00 1.01 0.00 0.00 42.92 43.90 2g18 s ASP 102 CO 0.03 -0.03 -0.04 -0.22 0.21 0.00 0.00 175.17 175.12 2g18 s LEU 103 N -0.29 1.27 -0.06 1.23 2.96 0.51 -1.01 118.68 123.30 2g18 s LEU 103 Ca -0.02 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2g18 s LEU 103 Cb -0.02 -0.43 0.00 0.00 0.50 0.00 0.00 46.19 46.24 2g18 s LEU 103 CO -0.00 -0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.11 2g18 s VAL 104 N 0.99 1.39 0.00 1.68 1.01 -0.27 -0.96 120.40 124.25 2g18 s VAL 104 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2g18 s VAL 104 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2g18 s VAL 104 CO -0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2g18 n GLY 105 N 3.49 3.61 0.00 4.51 0.00 0.05 -1.48 105.19 115.37 2g18 n GLY 105 Ca -0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 4.19 3.71 -0.02 0.00 -0.76 -1.42 105.19 110.89 2g18 n GLY 106 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 2g18 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g18 n ARG 107 N -1.39 -6.66 -1.76 1.61 1.74 -1.21 -1.99 116.66 107.01 2g18 n ARG 107 Ca 0.00 0.73 -0.12 0.00 -0.77 0.00 0.00 57.85 57.69 2g18 n ARG 107 Cb 0.00 -5.67 -0.03 0.00 -1.02 0.00 0.00 32.46 25.74 2g18 n ARG 107 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g18 n GLY 108 N -1.76 0.64 3.10 -0.13 0.00 -1.26 -5.02 105.19 100.76 2g18 n GLY 108 Ca -0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.75 0.63 -0.22 1.61 -1.52 -0.84 -5.12 119.66 110.45 2g18 s GLN 109 Ca 0.00 -1.03 -0.01 0.00 -1.95 0.00 0.00 55.36 52.37 2g18 s GLN 109 Cb 0.00 -0.12 0.02 0.00 -0.22 0.00 0.00 33.01 32.69 2g18 s GLN 109 CO 0.00 -0.02 -0.11 0.42 -0.25 0.00 0.00 175.29 175.33 2g18 s ILE 110 N -2.67 2.63 -0.06 1.08 1.01 -1.26 -1.82 121.20 120.11 2g18 s ILE 110 Ca 0.00 -0.93 0.13 0.00 0.00 0.00 0.00 60.65 59.86 2g18 s ILE 110 Cb -0.01 -2.24 -0.11 0.00 0.01 0.00 0.00 42.46 40.10 2g18 s ILE 110 CO -0.03 0.35 1.09 0.77 0.00 0.00 0.00 174.94 177.12 2g18 h SER 111 N 7.99 0.00 -3.23 3.58 4.64 -1.61 -3.38 113.55 121.54 2g18 h SER 111 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 2g18 h SER 111 Cb 1.13 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.95 2g18 h SER 111 CO 0.60 0.73 -0.31 0.00 -0.87 0.00 0.00 176.83 176.97 2g18 s ALA 112 N -2.83 -1.02 -0.07 5.18 0.00 -1.05 -4.45 121.76 117.52 2g18 s ALA 112 Ca -0.00 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 2g18 s ALA 112 Cb 0.09 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2g18 s ALA 112 CO 0.80 -0.26 -0.01 0.00 0.00 0.00 0.00 175.76 176.28 2g18 s ALA 113 N 1.40 0.75 0.02 0.00 0.00 0.05 -1.11 121.76 122.87 2g18 s ALA 113 Ca -0.10 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.77 2g18 s ALA 113 Cb -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2g18 s ALA 113 CO -0.13 -0.37 -0.16 -1.50 0.00 0.00 0.00 175.76 173.60 2g18 s ILE 114 N 1.75 1.29 -0.09 0.00 2.07 -0.18 -1.47 121.20 124.57 2g18 s ILE 114 Ca 0.02 -0.94 -0.09 0.00 -1.41 0.00 0.00 60.65 58.23 2g18 s ILE 114 Cb -0.13 -1.13 0.02 0.00 0.13 0.00 0.00 42.46 41.36 2g18 s ILE 114 CO -0.05 0.17 0.25 0.00 -1.91 0.00 0.00 174.94 173.40 2g18 s ALA 115 N -0.68 -0.61 0.10 1.50 0.00 -0.17 -1.01 121.76 120.89 2g18 s ALA 115 Ca 0.05 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 2g18 s ALA 115 Cb -0.07 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.70 2g18 s ALA 115 CO 0.01 -0.12 0.49 0.34 0.00 0.00 0.00 175.76 176.48 2g18 s ASP 116 N 0.10 -0.38 -0.57 0.00 2.15 -0.28 -0.78 116.67 116.92 2g18 s ASP 116 Ca -0.00 -0.05 -0.04 0.00 0.43 0.00 0.00 52.55 52.89 2g18 s ASP 116 Cb -0.02 0.50 0.15 0.00 -0.30 0.00 0.00 42.92 43.25 2g18 s ASP 116 CO 0.00 -0.82 0.38 -0.76 -0.17 0.00 0.00 175.17 173.81 2g18 s LEU 117 N -2.44 5.32 0.09 -1.34 1.43 -1.26 -1.57 118.68 118.91 2g18 s LEU 117 Ca -0.01 -2.58 -0.25 0.00 -1.03 0.00 0.00 54.13 50.26 2g18 s LEU 117 Cb 0.00 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 2g18 s LEU 117 CO -0.08 -0.44 0.78 -0.44 0.23 0.00 0.00 176.35 176.40 2g18 s SER 118 N 1.16 7.29 0.51 2.29 0.01 0.38 -4.35 113.70 120.99 2g18 s SER 118 Ca 0.14 1.54 -0.21 0.00 1.31 0.00 0.00 55.95 58.73 2g18 s SER 118 Cb -0.21 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 2g18 s SER 118 CO -0.04 0.07 1.15 -2.16 0.41 0.00 0.00 173.24 172.68 2g18 s PRO 119 N -0.41 3.50 0.00 12.44 0.04 -1.26 -0.67 135.00 148.65 2g18 s PRO 119 Ca 0.38 1.69 0.20 0.00 0.04 0.00 0.00 61.00 63.31 2g18 s PRO 119 Cb -0.22 -2.17 0.06 0.00 0.04 0.00 0.00 34.50 32.21 2g18 s PRO 119 CO 0.25 -0.75 1.04 1.33 0.04 0.00 0.00 177.00 178.91 2g18 n VAL 120 N -0.98 0.00 -2.77 -0.36 0.24 -1.26 -4.77 118.33 108.42 2g18 n VAL 120 Ca 0.10 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.34 61.62 2g18 n VAL 120 Cb 0.50 1.30 -0.06 0.00 -1.47 0.00 0.00 33.84 34.11 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 -2.01 3.96 0.12 6.34 3.76 -1.26 -3.90 115.29 122.31 2g18 s HIS 121 Ca 0.19 1.87 0.12 0.00 -0.15 0.00 0.00 55.06 57.09 2g18 s HIS 121 Cb 0.16 -2.96 0.21 0.00 1.11 0.00 0.00 32.58 31.09 2g18 s HIS 121 CO 0.40 0.44 1.51 -0.07 -0.85 0.00 0.00 174.74 176.17 2g18 h LEU 122 N 4.34 0.00 0.00 0.89 3.38 -1.91 -1.66 115.31 120.35 2g18 h LEU 122 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2g18 h LEU 122 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2g18 h LEU 122 CO 0.68 0.65 0.00 -0.90 0.09 0.00 0.00 178.44 178.97 2g18 n ASP 123 N -3.49 0.00 -0.45 -0.43 5.68 -1.26 -4.84 116.55 111.76 2g18 n ASP 123 Ca 0.00 0.07 -0.05 0.00 -0.50 0.00 0.00 54.79 54.31 2g18 n ASP 123 Cb 0.71 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.56 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 -1.12 -0.35 -4.05 0.11 1.74 -0.62 -5.05 116.66 107.32 2g18 n ARG 124 Ca 0.01 0.42 -0.23 0.00 -0.77 0.00 0.00 57.85 57.29 2g18 n ARG 124 Cb 0.01 -4.15 -0.04 0.00 -1.02 0.00 0.00 32.46 27.26 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 -2.20 4.77 0.14 0.55 -4.23 -1.26 -4.76 115.64 108.65 2g18 s THR 125 Ca 0.00 -1.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.38 2g18 s THR 125 Cb 0.00 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 2g18 s THR 125 CO 0.00 -0.28 0.14 -0.76 -0.54 0.00 0.00 174.62 173.17 2g18 s LEU 126 N -3.72 3.85 0.89 4.79 1.43 -1.26 -4.13 118.68 120.54 2g18 s LEU 126 Ca 0.33 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 2g18 s LEU 126 Cb -0.09 -2.47 0.12 0.00 0.03 0.00 0.00 46.19 43.78 2g18 s LEU 126 CO 0.26 0.09 1.06 -2.65 0.23 0.00 0.00 176.35 175.34 2g18 n PRO 127 N -0.17 -0.29 -0.11 1.29 -0.02 -1.26 -4.68 135.00 129.75 2g18 n PRO 127 Ca -0.08 -0.02 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 2g18 n PRO 127 Cb 0.54 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.61 0.02 -0.50 -0.52 4.39 -1.99 -1.75 114.58 112.61 2g18 h GLU 128 Ca -0.44 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.32 2g18 h GLU 128 Cb 1.28 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 2g18 h GLU 128 CO 0.41 0.01 0.34 0.66 -1.16 0.00 0.00 179.01 179.27 2g18 h SER 129 N 0.02 0.40 -0.17 1.42 4.64 -2.00 -1.06 113.55 116.79 2g18 h SER 129 Ca 0.19 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2g18 h SER 129 Cb 0.28 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2g18 h SER 129 CO -0.38 0.26 -0.18 1.88 -0.87 0.00 0.00 176.83 177.54 2g18 h TYR 130 N 0.46 0.52 -0.49 4.77 -1.99 -1.68 -2.59 116.97 115.96 2g18 h TYR 130 Ca 0.22 -0.16 0.07 0.00 2.00 0.00 0.00 58.73 60.85 2g18 h TYR 130 Cb 0.27 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 38.84 2g18 h TYR 130 CO -0.00 0.81 0.18 -0.91 -0.00 0.00 0.00 178.16 178.24 2g18 h ASN 131 N 0.08 0.18 -0.39 3.88 2.35 -0.82 0.84 115.58 121.71 2g18 h ASN 131 Ca 0.03 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2g18 h ASN 131 Cb 0.72 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 2g18 h ASN 131 CO 0.04 0.13 0.18 0.28 -1.65 0.00 0.00 177.43 176.42 2g18 h SER 132 N 0.36 0.51 -0.43 5.81 0.02 -1.24 -1.70 113.55 116.89 2g18 h SER 132 Ca 0.24 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 2g18 h SER 132 Cb 0.24 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2g18 h SER 132 CO -0.24 0.51 -0.26 0.00 -1.14 0.00 0.00 176.83 175.70 2g18 h ALA 133 N 1.03 0.61 0.00 3.77 0.00 -1.08 -2.97 119.26 120.62 2g18 h ALA 133 Ca 0.13 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2g18 h ALA 133 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2g18 h ALA 133 CO -0.02 0.63 -0.26 -0.07 0.00 0.00 0.00 179.25 179.53 2g18 h LEU 134 N 0.77 0.00 -0.02 0.00 3.38 -0.75 -3.04 115.31 115.65 2g18 h LEU 134 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2g18 h LEU 134 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2g18 h LEU 134 CO 0.07 0.26 -0.07 0.35 0.09 0.00 0.00 178.44 179.15 2g18 n THR 135 N -3.27 0.00 1.44 0.22 -2.24 -0.65 -3.27 114.28 106.51 2g18 n THR 135 Ca 0.01 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 2g18 n THR 135 Cb 0.54 -0.38 0.49 0.00 -2.10 0.00 0.00 70.33 68.88 2g18 n THR 135 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2g18 n SER 136 N -1.42 1.46 -4.51 3.42 7.64 -1.15 -4.87 113.62 114.20 2g18 n SER 136 Ca 0.09 -1.55 -0.38 0.00 1.01 0.00 0.00 58.87 58.04 2g18 n SER 136 Cb 0.32 -0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.84 3.85 0.53 -3.43 1.43 -1.20 -5.07 118.68 112.94 2g18 s LEU 137 Ca 0.36 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 2g18 s LEU 137 Cb 0.20 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 2g18 s LEU 137 CO 0.31 -0.08 1.16 0.59 0.23 0.00 0.00 176.35 178.56 2g18 n ASN 138 N 5.00 1.80 -4.75 2.29 3.02 -1.26 -4.92 115.26 116.43 2g18 n ASN 138 Ca -0.15 0.94 -0.41 0.00 -0.03 0.00 0.00 54.58 54.94 2g18 n ASN 138 Cb 0.51 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.19 2g18 n ASN 138 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2g18 s THR 139 N -1.35 2.76 0.35 3.41 2.01 -1.26 -5.01 115.64 116.55 2g18 s THR 139 Ca 0.71 0.68 -0.04 0.00 0.31 0.00 0.00 61.69 63.34 2g18 s THR 139 Cb -0.45 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2g18 s THR 139 CO 0.51 0.13 0.62 -0.76 -0.69 0.00 0.00 174.62 174.43 2g18 s LEU 140 N -0.87 3.94 -1.34 4.42 1.43 -1.26 -5.01 118.68 119.98 2g18 s LEU 140 Ca 0.55 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 54.25 2g18 s LEU 140 Cb -0.40 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.30 2g18 s LEU 140 CO 0.46 -0.32 1.89 -3.20 0.23 0.00 0.00 176.35 175.41 2g18 n ASN 141 N -1.44 4.63 -4.48 2.29 4.05 -1.26 -4.95 115.26 114.10 2g18 n ASN 141 Ca -0.01 -2.93 -0.43 0.00 0.45 0.00 0.00 54.58 51.66 2g18 n ASN 141 Cb 0.55 -1.66 -0.08 0.00 1.23 0.00 0.00 39.78 39.82 2g18 n ASN 141 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2g18 s PHE 142 N 2.96 3.15 -1.37 1.20 0.40 -1.26 -4.87 117.98 118.18 2g18 s PHE 142 Ca 0.48 -0.39 0.16 0.00 -0.60 0.00 0.00 56.93 56.58 2g18 s PHE 142 Cb 0.07 -3.04 0.80 0.00 0.51 0.00 0.00 43.02 41.36 2g18 s PHE 142 CO -0.00 -0.77 1.47 -1.13 0.70 0.00 0.00 175.22 175.49 2g18 n SER 143 N 5.72 0.00 -3.08 1.36 3.41 -1.26 -4.04 113.62 115.74 2g18 n SER 143 Ca -0.07 0.12 -0.19 0.00 -0.26 0.00 0.00 58.87 58.47 2g18 n SER 143 Cb 0.47 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 2g18 n SER 143 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2g18 n GLN 144 N -1.32 0.77 -1.31 4.33 -0.06 -1.26 -5.09 117.38 113.44 2g18 n GLN 144 Ca 0.07 -2.88 -0.30 0.00 -2.00 0.00 0.00 57.00 51.89 2g18 n GLN 144 Cb 0.14 -1.31 0.11 0.00 -4.06 0.00 0.00 30.24 25.11 2g18 n GLN 144 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2g18 s PRO 145 N -0.87 1.90 0.12 3.69 0.04 -1.26 -1.40 135.00 137.21 2g18 s PRO 145 Ca 0.34 0.93 0.08 0.00 0.04 0.00 0.00 61.00 62.39 2g18 s PRO 145 Cb 0.21 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 2g18 s PRO 145 CO -0.13 -1.83 -0.18 1.03 0.04 0.00 0.00 177.00 175.93 2g18 s ARG 146 N -4.97 1.10 -0.00 4.56 0.52 0.41 -4.77 118.95 115.80 2g18 s ARG 146 Ca 0.62 -1.21 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 2g18 s ARG 146 Cb -0.17 -1.22 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 2g18 s ARG 146 CO 0.56 0.27 0.63 -2.00 0.02 0.00 0.00 175.30 174.78 2g18 s GLU 147 N -2.22 4.36 0.23 3.54 2.12 -1.26 -4.76 118.70 120.70 2g18 s GLU 147 Ca 0.08 0.80 -0.30 0.00 0.36 0.00 0.00 54.97 55.91 2g18 s GLU 147 Cb -0.08 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.85 2g18 s GLU 147 CO 0.04 0.32 1.42 -0.51 -0.54 0.00 0.00 175.26 176.00 2g18 s LEU 148 N -0.07 4.39 1.11 2.70 1.43 -1.26 -5.02 118.68 121.96 2g18 s LEU 148 Ca 0.33 2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 55.90 2g18 s LEU 148 Cb -0.18 -3.62 0.25 0.00 0.03 0.00 0.00 46.19 42.67 2g18 s LEU 148 CO 0.18 -0.67 1.05 -2.16 0.23 0.00 0.00 176.35 174.98 2g18 s PRO 149 N -0.18 -0.50 0.34 1.29 0.04 -1.26 -4.87 135.00 129.87 2g18 s PRO 149 Ca 0.60 0.91 0.11 0.00 0.04 0.00 0.00 61.00 62.66 2g18 s PRO 149 Cb -0.41 -1.60 0.62 0.00 0.04 0.00 0.00 34.50 33.16 2g18 s PRO 149 CO 0.41 -3.46 1.78 0.93 0.04 0.00 0.00 177.00 176.70 2g18 h GLU 150 N -2.44 0.05 0.00 4.56 5.08 -2.06 0.15 114.58 119.91 2g18 h GLU 150 Ca -0.58 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2g18 h GLU 150 Cb 1.32 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2g18 h GLU 150 CO 0.50 0.45 0.00 -2.67 -1.00 0.00 0.00 179.01 176.29 2g18 n TRP 151 N -4.05 0.00 1.42 4.33 4.27 -1.26 -3.52 117.44 118.64 2g18 n TRP 151 Ca -0.02 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.65 2g18 n TRP 151 Cb 0.44 -0.10 0.32 0.00 -1.36 0.00 0.00 31.31 30.61 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 -0.17 -0.71 0.00 -1.67 0.00 0.51 -3.93 105.19 99.22 2g18 n GLY 152 Ca 0.09 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.73 0.00 -0.06 1.61 6.94 -1.23 -2.37 115.26 119.41 2g18 n ASN 153 Ca 0.08 -0.61 0.14 0.00 -0.02 0.00 0.00 54.58 54.17 2g18 n ASN 153 Cb 0.04 0.00 0.55 0.00 -2.36 0.00 0.00 39.78 38.00 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 -0.99 0.00 -3.56 1.53 -5.35 -1.25 -4.86 119.36 104.88 2g18 n ILE 154 Ca 0.14 -0.03 -0.31 0.00 -0.27 0.00 0.00 62.75 62.27 2g18 n ILE 154 Cb 0.06 -0.14 -0.05 0.00 -1.74 0.00 0.00 39.64 37.78 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 -2.71 3.45 0.84 4.28 0.40 -1.00 -3.99 117.98 119.26 2g18 s PHE 155 Ca 0.22 0.68 -0.12 0.00 -0.60 0.00 0.00 56.93 57.10 2g18 s PHE 155 Cb 0.19 -2.10 0.10 0.00 0.51 0.00 0.00 43.02 41.72 2g18 s PHE 155 CO 0.53 0.35 1.17 -1.54 0.70 0.00 0.00 175.22 176.44 2g18 s SER 156 N -2.47 4.17 0.12 1.36 1.04 -1.26 -4.87 113.70 111.81 2g18 s SER 156 Ca 0.44 0.81 0.14 0.00 0.48 0.00 0.00 55.95 57.81 2g18 s SER 156 Cb -0.12 -1.30 0.64 0.00 0.10 0.00 0.00 66.02 65.34 2g18 s SER 156 CO 0.24 -2.12 1.43 0.47 0.98 0.00 0.00 173.24 174.24 2g18 n ASP 157 N -3.46 0.26 -0.44 7.02 8.00 -1.26 -2.38 116.55 124.29 2g18 n ASP 157 Ca 0.08 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.29 2g18 n ASP 157 Cb 0.60 -0.64 0.15 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.82 0.00 -1.69 1.24 3.01 -1.26 -4.99 117.46 111.95 2g18 n PHE 158 Ca 0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 2g18 n PHE 158 Cb 0.11 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 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 2.78 -0.26 0.00 1.01 0.04 -4.99 121.20 119.22 2g18 s ILE 160 Ca 0.62 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 2g18 s ILE 160 Cb -0.60 -2.15 0.10 0.00 0.01 0.00 0.00 42.46 39.82 2g18 s ILE 160 CO 0.56 0.53 0.19 0.12 0.00 0.00 0.00 174.94 176.34 2g18 s PHE 161 N 0.45 -0.04 0.10 3.97 5.36 -1.26 -1.00 117.98 125.56 2g18 s PHE 161 Ca -0.11 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 55.44 2g18 s PHE 161 Cb -0.16 -0.64 -0.04 0.00 -0.34 0.00 0.00 43.02 41.84 2g18 s PHE 161 CO 0.05 -0.78 0.05 0.14 -1.46 0.00 0.00 175.22 173.22 2g18 s VAL 162 N 2.23 0.14 -0.41 3.12 -7.23 -0.54 -0.45 120.40 117.25 2g18 s VAL 162 Ca 0.08 -1.82 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 2g18 s VAL 162 Cb -0.15 -1.83 0.08 0.00 0.56 0.00 0.00 36.38 35.03 2g18 s VAL 162 CO -0.28 -0.64 0.25 -0.60 -0.31 0.00 0.00 175.10 173.52 2g18 s ARG 163 N -3.99 2.59 -0.00 4.82 3.52 -0.50 -0.77 118.95 124.62 2g18 s ARG 163 Ca 0.17 -1.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.03 2g18 s ARG 163 Cb 0.07 -3.75 -0.07 0.00 -1.56 0.00 0.00 34.95 29.64 2g18 s ARG 163 CO -0.03 -0.93 1.66 -2.14 -0.81 0.00 0.00 175.30 173.05 2g18 s PRO 164 N 1.42 4.19 -0.07 5.12 0.02 -1.26 -4.47 135.00 139.95 2g18 s PRO 164 Ca 0.03 2.25 0.07 0.00 0.02 0.00 0.00 61.00 63.37 2g18 s PRO 164 Cb -0.23 -3.84 -0.24 0.00 0.02 0.00 0.00 34.50 30.22 2g18 s PRO 164 CO 0.02 -0.80 0.54 -1.13 -0.33 0.00 0.00 177.00 175.30 2g18 n SER 165 N 6.51 1.20 -4.51 2.53 3.41 -1.26 -4.74 113.62 116.75 2g18 n SER 165 Ca 0.17 0.33 -0.24 0.00 -0.26 0.00 0.00 58.87 58.86 2g18 n SER 165 Cb 0.42 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 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 -6.34 3.23 0.29 4.04 1.04 -1.26 -5.03 113.70 109.68 2g18 s SER 166 Ca -0.10 -1.28 0.24 0.00 0.48 0.00 0.00 55.95 55.30 2g18 s SER 166 Cb 0.08 -0.26 1.05 0.00 0.10 0.00 0.00 66.02 66.98 2g18 s SER 166 CO 0.81 -0.39 1.73 -0.65 0.98 0.00 0.00 173.24 175.72 2g18 h PRO 167 N 2.05 0.00 -0.19 4.02 0.11 -1.99 -2.22 132.00 133.78 2g18 h PRO 167 Ca -0.42 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.48 2g18 h PRO 167 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 2g18 h PRO 167 CO 0.72 0.00 -0.72 0.93 -0.21 0.00 0.00 178.00 178.72 2g18 h GLU 168 N 0.00 0.82 -0.61 1.05 5.08 -1.99 -2.53 114.58 116.41 2g18 h GLU 168 Ca 0.00 -0.63 -0.06 0.00 -1.00 0.00 0.00 59.36 57.67 2g18 h GLU 168 Cb 0.33 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2g18 h GLU 168 CO 0.00 1.24 0.14 0.93 -1.00 0.00 0.00 179.01 180.33 2g18 h GLU 169 N 0.58 0.97 -0.95 2.33 5.08 -1.80 0.21 114.58 121.01 2g18 h GLU 169 Ca -0.04 -0.24 0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2g18 h GLU 169 Cb 1.34 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2g18 h GLU 169 CO 0.15 0.89 0.59 0.93 -1.00 0.00 0.00 179.01 180.58 2g18 h GLU 170 N 0.88 1.00 -0.01 2.33 5.08 -1.43 0.14 114.58 122.57 2g18 h GLU 170 Ca 0.19 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 2g18 h GLU 170 Cb 0.36 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2g18 h GLU 170 CO 0.00 0.66 -0.81 0.00 -1.00 0.00 0.00 179.01 177.87 2g18 h ALA 171 N 1.47 0.62 -0.36 3.43 0.00 -1.14 -1.42 119.26 121.85 2g18 h ALA 171 Ca 0.43 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g18 h ALA 171 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2g18 h ALA 171 CO -0.21 0.89 0.17 0.52 0.00 0.00 0.00 179.25 180.62 2g18 h MET 172 N 0.10 0.52 -0.11 0.00 2.86 0.13 -1.08 114.93 117.35 2g18 h MET 172 Ca -0.03 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2g18 h MET 172 Cb 1.41 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 2g18 h MET 172 CO 0.12 0.47 0.02 0.35 1.06 0.00 0.00 176.91 178.94 2g18 h PHE 173 N 0.44 0.19 -0.72 -0.22 3.57 -0.56 -1.43 116.94 118.21 2g18 h PHE 173 Ca 0.12 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2g18 h PHE 173 Cb 0.13 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2g18 h PHE 173 CO -0.01 0.37 0.37 1.25 -2.23 0.00 0.00 178.31 178.05 2g18 h LEU 174 N -0.04 0.91 -0.80 0.59 5.85 -1.23 -0.51 115.31 120.10 2g18 h LEU 174 Ca 0.03 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2g18 h LEU 174 Cb 0.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2g18 h LEU 174 CO 0.00 0.76 0.47 1.23 -0.34 0.00 0.00 178.44 180.56 2g18 h GLY 175 N 1.07 1.17 1.12 3.75 0.00 -0.83 -2.12 103.07 107.22 2g18 h GLY 175 Ca 0.25 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 2g18 h GLY 175 CO -0.04 0.48 -0.54 -0.09 0.00 0.00 0.00 176.54 176.35 2g18 h ARG 176 N 1.09 0.84 -0.56 4.80 9.65 -0.47 -1.73 114.38 128.01 2g18 h ARG 176 Ca 0.28 -0.55 0.03 0.00 -1.10 0.00 0.00 59.98 58.64 2g18 h ARG 176 Cb -0.02 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 2g18 h ARG 176 CO -0.05 1.18 0.34 0.28 2.80 0.00 0.00 179.97 184.52 2g18 h VAL 177 N 0.62 1.06 -0.60 0.20 2.07 -1.09 -0.02 116.25 118.48 2g18 h VAL 177 Ca 0.01 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2g18 h VAL 177 Cb 1.15 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2g18 h VAL 177 CO 0.12 0.12 0.37 -0.09 0.02 0.00 0.00 177.57 178.11 2g18 h ARG 178 N 0.67 0.70 -0.37 1.57 2.43 -1.18 -0.20 114.38 117.99 2g18 h ARG 178 Ca 0.23 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2g18 h ARG 178 Cb 0.03 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 2g18 h ARG 178 CO -0.10 0.46 0.15 0.93 -1.51 0.00 0.00 179.97 179.90 2g18 h GLU 179 N 0.72 0.31 -0.50 0.20 5.08 -0.71 -0.71 114.58 118.97 2g18 h GLU 179 Ca 0.24 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2g18 h GLU 179 Cb 0.03 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2g18 h GLU 179 CO -0.10 0.20 0.21 0.74 -1.00 0.00 0.00 179.01 179.06 2g18 h PHE 180 N 0.31 0.38 -0.66 4.33 -1.00 -0.24 -0.78 116.94 119.29 2g18 h PHE 180 Ca 0.17 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.93 2g18 h PHE 180 Cb 0.12 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 2g18 h PHE 180 CO -0.13 0.16 0.26 -0.07 -1.61 0.00 0.00 178.31 176.91 2g18 h LEU 181 N 0.41 0.91 -0.59 1.54 3.38 -0.60 -0.77 115.31 119.60 2g18 h LEU 181 Ca 0.23 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2g18 h LEU 181 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2g18 h LEU 181 CO -0.20 0.84 0.18 1.56 0.09 0.00 0.00 178.44 180.91 2g18 h GLN 182 N 0.93 0.93 -0.61 1.13 4.20 -0.50 0.19 115.11 121.38 2g18 h GLN 182 Ca 0.22 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2g18 h GLN 182 Cb 0.22 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2g18 h GLN 182 CO -0.02 0.84 0.17 0.28 -0.67 0.00 0.00 178.83 179.43 2g18 h VAL 183 N 0.85 1.25 -0.30 -0.54 2.07 -0.85 -1.42 116.25 117.30 2g18 h VAL 183 Ca 0.19 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 2g18 h VAL 183 Cb 0.30 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2g18 h VAL 183 CO -0.00 0.33 -0.09 -0.74 0.02 0.00 0.00 177.57 177.09 2g18 h HIS 184 N 0.89 0.67 -0.92 1.57 -0.00 -0.77 0.49 115.15 117.08 2g18 h HIS 184 Ca 0.19 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2g18 h HIS 184 Cb 0.33 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 2g18 h HIS 184 CO 0.02 0.79 0.61 0.00 -0.00 0.00 0.00 177.93 179.35 2g18 h GLN 186 N 1.23 0.88 -0.42 0.00 4.20 -0.97 -1.65 115.11 118.37 2g18 h GLN 186 Ca 0.34 -0.20 0.07 0.00 0.06 0.00 0.00 58.65 58.93 2g18 h GLN 186 Cb -0.11 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.48 2g18 h GLN 186 CO -0.08 0.81 0.03 0.78 -0.67 0.00 0.00 178.83 179.69 2g18 h GLY 187 N 0.79 0.46 0.94 3.46 0.00 -0.48 -1.84 103.07 106.40 2g18 h GLY 187 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 2g18 h GLY 187 CO -0.00 -0.09 0.14 0.00 0.00 0.00 0.00 176.54 176.60 2g18 h ALA 188 N 1.35 0.55 -0.32 3.60 0.00 -0.62 -2.21 119.26 121.61 2g18 h ALA 188 Ca 0.21 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2g18 h ALA 188 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2g18 h ALA 188 CO -0.32 0.18 -0.10 0.82 0.00 0.00 0.00 179.25 179.83 2g18 h ILE 189 N 0.53 1.23 0.00 0.00 2.04 -0.97 -2.47 117.51 117.87 2g18 h ILE 189 Ca 0.14 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2g18 h ILE 189 Cb 0.23 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2g18 h ILE 189 CO -0.01 0.33 -0.03 0.00 0.00 0.00 0.00 178.15 178.44 2g18 n ALA 190 N -2.48 2.40 -1.77 1.87 0.00 -0.72 -4.94 120.51 114.87 2g18 n ALA 190 Ca 0.01 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 2g18 n ALA 190 Cb 0.31 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.00 3.26 0.28 0.00 0.00 -0.86 -5.07 121.76 116.37 2g18 s ALA 191 Ca 0.14 0.62 0.11 0.00 0.00 0.00 0.00 51.96 52.82 2g18 s ALA 191 Cb 0.19 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2g18 s ALA 191 CO 0.54 0.11 -0.09 -1.12 0.00 0.00 0.00 175.76 175.20 2g18 s SER 192 N -1.38 4.10 0.54 0.00 0.01 -1.26 -5.05 113.70 110.65 2g18 s SER 192 Ca 0.47 -0.83 -0.22 0.00 1.31 0.00 0.00 55.95 56.68 2g18 s SER 192 Cb -0.23 -0.59 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 2g18 s SER 192 CO 0.29 0.01 1.32 -2.84 0.41 0.00 0.00 173.24 172.43 2g18 s PRO 193 N -3.60 3.21 0.43 12.44 0.02 -1.26 -4.63 135.00 141.62 2g18 s PRO 193 Ca 0.31 2.15 0.06 0.00 0.02 0.00 0.00 61.00 63.54 2g18 s PRO 193 Cb -0.06 -2.26 0.01 0.00 0.02 0.00 0.00 34.50 32.22 2g18 s PRO 193 CO 0.18 -1.10 0.60 0.14 -0.33 0.00 0.00 177.00 176.48 2g18 s VAL 194 N -1.35 3.16 0.96 3.83 -7.23 -0.69 -5.04 120.40 114.04 2g18 s VAL 194 Ca 0.71 -0.91 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 2g18 s VAL 194 Cb -0.38 -3.09 0.17 0.00 0.56 0.00 0.00 36.38 33.63 2g18 s VAL 194 CO 0.45 -0.04 1.09 -0.94 -0.31 0.00 0.00 175.10 175.35 2g18 s SER 195 N -4.33 2.89 0.23 4.85 1.04 -1.26 -4.77 113.70 112.35 2g18 s SER 195 Ca 0.53 1.43 -0.06 0.00 0.48 0.00 0.00 55.95 58.34 2g18 s SER 195 Cb -0.10 -2.11 0.40 0.00 0.10 0.00 0.00 66.02 64.31 2g18 s SER 195 CO 0.34 -3.00 1.74 0.00 0.98 0.00 0.00 173.24 173.30 2g18 h ALA 196 N -1.80 0.98 -0.40 5.32 0.00 -1.99 -1.31 119.26 120.06 2g18 h ALA 196 Ca -0.52 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2g18 h ALA 196 Cb 1.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2g18 h ALA 196 CO 0.54 -0.19 0.15 1.49 0.00 0.00 0.00 179.25 181.24 2g18 h GLU 197 N 0.45 0.60 -0.29 0.00 4.81 -2.00 -1.63 114.58 116.52 2g18 h GLU 197 Ca 0.38 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2g18 h GLU 197 Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2g18 h GLU 197 CO -0.37 0.58 0.18 1.96 -0.73 0.00 0.00 179.01 180.63 2g18 h GLN 198 N 0.50 0.40 -0.75 1.92 4.20 -1.87 -2.96 115.11 116.54 2g18 h GLN 198 Ca 0.13 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.92 2g18 h GLN 198 Cb 0.21 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 2g18 h GLN 198 CO -0.01 0.31 0.36 -0.22 -0.67 0.00 0.00 178.83 178.60 2g18 h LYS 199 N 0.38 0.56 0.18 1.46 3.64 -0.81 0.71 116.57 122.69 2g18 h LYS 199 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2g18 h LYS 199 Cb 0.01 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2g18 h LYS 199 CO -0.02 0.37 -0.16 0.37 -2.27 0.00 0.00 179.45 177.74 2g18 h GLN 200 N 0.57 -0.35 -0.65 1.90 4.15 -1.24 0.27 115.11 119.76 2g18 h GLN 200 Ca 0.39 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.96 2g18 h GLN 200 Cb 0.49 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.17 2g18 h GLN 200 CO -0.32 -0.23 0.18 1.96 -1.93 0.00 0.00 178.83 178.49 2g18 h GLN 201 N -0.36 0.31 -0.39 1.69 4.20 -1.24 -0.25 115.11 119.07 2g18 h GLN 201 Ca -0.00 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2g18 h GLN 201 Cb 0.33 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2g18 h GLN 201 CO -0.03 0.20 -0.03 0.82 -0.67 0.00 0.00 178.83 179.13 2g18 h ILE 202 N 0.32 1.27 -0.33 2.54 2.04 -0.12 -1.01 117.51 122.21 2g18 h ILE 202 Ca 0.35 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2g18 h ILE 202 Cb 0.52 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2g18 h ILE 202 CO -0.41 0.36 0.08 0.25 0.00 0.00 0.00 178.15 178.43 2g18 h LEU 203 N 0.53 0.50 -0.77 1.44 5.85 -0.20 -0.83 115.31 121.84 2g18 h LEU 203 Ca 0.11 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2g18 h LEU 203 Cb 0.52 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2g18 h LEU 203 CO 0.03 0.60 0.51 0.00 -0.34 0.00 0.00 178.44 179.23 2g18 h ALA 204 N 0.92 0.98 -0.43 1.25 0.00 -0.90 0.11 119.26 121.19 2g18 h ALA 204 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2g18 h ALA 204 Cb 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2g18 h ALA 204 CO 0.00 0.37 0.27 0.78 0.00 0.00 0.00 179.25 180.67 2g18 h GLY 205 N 1.03 0.60 0.98 0.00 0.00 -0.64 0.72 103.07 105.77 2g18 h GLY 205 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2g18 h GLY 205 CO -0.07 0.19 0.10 1.46 0.00 0.00 0.00 176.54 178.23 2g18 h GLN 206 N 0.55 0.22 -0.49 4.80 4.20 -0.78 -1.90 115.11 121.71 2g18 h GLN 206 Ca 0.16 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.95 2g18 h GLN 206 Cb -0.03 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.63 2g18 h GLN 206 CO -0.06 0.17 0.02 1.25 -0.67 0.00 0.00 178.83 179.55 2g18 h HIS 207 N 0.21 0.02 -0.47 2.96 2.76 -0.47 0.26 115.15 120.41 2g18 h HIS 207 Ca 0.06 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2g18 h HIS 207 Cb -0.00 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 2g18 h HIS 207 CO -0.06 -0.08 0.30 -0.97 -1.30 0.00 0.00 177.93 175.81 2g18 h ASN 208 N 0.14 0.50 -0.37 3.26 -0.73 -0.75 -0.88 115.58 116.75 2g18 h ASN 208 Ca 0.25 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.41 2g18 h ASN 208 Cb 0.36 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 2g18 h ASN 208 CO -0.39 0.36 0.23 0.22 -0.37 0.00 0.00 177.43 177.48 2g18 h TYR 209 N 0.60 0.48 -0.42 0.67 3.20 -0.74 -1.87 116.97 118.89 2g18 h TYR 209 Ca 0.18 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 2g18 h TYR 209 Cb -0.03 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2g18 h TYR 209 CO -0.05 0.33 -0.32 0.00 -1.64 0.00 0.00 178.16 176.47 2g18 h SER 211 N 0.79 0.98 -0.84 0.00 4.64 -1.06 0.05 113.55 118.11 2g18 h SER 211 Ca 0.08 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2g18 h SER 211 Cb 0.91 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 2g18 h SER 211 CO 0.08 1.15 0.49 0.11 -0.87 0.00 0.00 176.83 177.80 2g18 h LYS 212 N 0.81 1.16 -0.31 4.77 1.79 -1.29 -1.13 116.57 122.36 2g18 h LYS 212 Ca 0.11 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 2g18 h LYS 212 Cb 0.76 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2g18 h LYS 212 CO 0.06 0.83 0.01 1.96 -1.08 0.00 0.00 179.45 181.23 2g18 h GLN 213 N 1.17 0.55 -0.33 3.15 1.08 -1.16 -2.20 115.11 117.36 2g18 h GLN 213 Ca 0.30 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 2g18 h GLN 213 Cb -0.01 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 2g18 h GLN 213 CO -0.05 0.68 0.08 1.96 -0.95 0.00 0.00 178.83 180.55 2g18 h GLN 214 N 0.35 0.20 0.00 1.46 4.20 -0.78 0.22 115.11 120.76 2g18 h GLN 214 Ca 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2g18 h GLN 214 Cb 0.43 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2g18 h GLN 214 CO 0.01 0.13 -0.04 1.96 -0.67 0.00 0.00 178.83 180.22 2g18 h GLN 215 N 0.20 0.00 0.00 1.46 4.20 -1.03 -3.36 115.11 116.58 2g18 h GLN 215 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2g18 h GLN 215 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2g18 h GLN 215 CO -0.19 0.04 -0.62 0.09 -0.67 0.00 0.00 178.83 177.48 2g18 n ASN 216 N -3.99 3.11 -4.68 1.46 3.02 -0.84 -5.04 115.26 108.30 2g18 n ASN 216 Ca -0.03 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.08 2g18 n ASN 216 Cb 0.13 0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 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 -1.05 2.72 0.07 6.41 -0.08 0.74 -4.89 116.55 120.47 2g18 n ASP 217 Ca 0.00 1.16 0.13 0.00 -1.51 0.00 0.00 54.79 54.57 2g18 n ASP 217 Cb 0.07 -1.44 0.34 0.00 2.34 0.00 0.00 41.12 42.43 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 1.52 0.22 0.27 -0.67 5.02 -1.26 -3.52 118.16 119.73 2g18 n LYS 218 Ca 0.09 0.12 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 2g18 n LYS 218 Cb 0.33 -1.70 0.74 0.00 -0.02 0.00 0.00 35.03 34.38 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 0.00 0.47 -0.94 -0.18 1.35 -1.99 -2.64 112.91 108.99 2g18 h THR 219 Ca 0.00 -0.53 0.18 0.00 -0.55 0.00 0.00 66.41 65.50 2g18 h THR 219 Cb 0.69 1.36 -0.17 0.00 -1.73 0.00 0.00 68.15 68.30 2g18 h THR 219 CO 0.00 0.11 -0.27 -0.09 -0.25 0.00 0.00 175.52 175.01 2g18 h ARG 220 N 0.00 -0.01 -0.42 4.72 2.43 -1.95 -0.78 114.38 118.37 2g18 h ARG 220 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2g18 h ARG 220 Cb 0.35 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2g18 h ARG 220 CO 0.01 -0.01 0.10 -0.09 -1.51 0.00 0.00 179.97 178.48 2g18 h ARG 221 N -0.01 0.67 -0.49 0.20 2.43 -1.75 0.10 114.38 115.54 2g18 h ARG 221 Ca 0.42 -0.16 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 2g18 h ARG 221 Cb 0.66 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 2g18 h ARG 221 CO -0.96 0.68 0.17 0.28 -1.51 0.00 0.00 179.97 178.63 2g18 h VAL 222 N 0.54 0.83 -0.37 0.20 2.07 -1.56 -1.80 116.25 116.15 2g18 h VAL 222 Ca 0.13 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 2g18 h VAL 222 Cb 0.31 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2g18 h VAL 222 CO 0.00 0.06 -0.24 -0.07 0.02 0.00 0.00 177.57 177.35 2g18 h LEU 223 N 0.34 0.75 -0.22 2.57 3.38 -0.35 -2.15 115.31 119.64 2g18 h LEU 223 Ca 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2g18 h LEU 223 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2g18 h LEU 223 CO -0.24 0.97 0.14 -0.33 0.09 0.00 0.00 178.44 179.07 2g18 h GLU 224 N 0.64 0.29 -0.12 1.13 5.08 -0.52 0.22 114.58 121.30 2g18 h GLU 224 Ca 0.09 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2g18 h GLU 224 Cb 0.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2g18 h GLU 224 CO 0.06 0.20 -0.11 0.87 -1.00 0.00 0.00 179.01 179.03 2g18 h LYS 225 N 0.29 0.18 0.10 2.33 1.57 -1.20 0.75 116.57 120.60 2g18 h LYS 225 Ca 0.08 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.61 2g18 h LYS 225 Cb -0.03 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.28 2g18 h LYS 225 CO -0.02 0.30 -0.91 0.00 -0.57 0.00 0.00 179.45 178.26 2g18 h ALA 226 N 1.72 -0.03 0.00 3.86 0.00 -1.12 -3.43 119.26 120.26 2g18 h ALA 226 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2g18 h ALA 226 Cb 0.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2g18 h ALA 226 CO 0.02 0.47 0.00 1.19 0.00 0.00 0.00 179.25 180.93 2g18 n PHE 227 N -4.04 0.00 0.00 0.00 3.01 0.04 -4.73 117.46 111.74 2g18 n PHE 227 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2g18 n PHE 227 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 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 0.04 1.66 0.24 1.37 0.00 0.26 -4.55 105.19 104.21 2g18 n GLY 228 Ca 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.06 1.61 2.07 -1.90 -2.33 116.25 116.87 2g18 h VAL 229 Ca 0.00 -0.74 -0.21 0.00 0.82 0.00 0.00 66.70 66.57 2g18 h VAL 229 Cb 0.00 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2g18 h VAL 229 CO 0.00 0.27 -0.83 0.44 0.02 0.00 0.00 177.57 177.48 2g18 h ASP 230 N 0.70 0.60 -0.29 0.57 5.19 -1.96 -0.65 116.42 120.57 2g18 h ASP 230 Ca 0.17 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2g18 h ASP 230 Cb 0.25 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2g18 h ASP 230 CO -0.01 1.20 0.19 -0.25 -3.12 0.00 0.00 179.24 177.25 2g18 h TRP 231 N 0.31 0.37 -0.78 4.55 7.01 -1.79 -0.23 115.95 125.39 2g18 h TRP 231 Ca -0.06 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 2g18 h TRP 231 Cb 1.43 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 28.33 2g18 h TRP 231 CO 0.06 0.24 0.40 0.00 -2.79 0.00 0.00 178.44 176.35 2g18 h ALA 232 N 1.10 1.23 -0.19 2.65 0.00 -1.28 -0.53 119.26 122.25 2g18 h ALA 232 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2g18 h ALA 232 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2g18 h ALA 232 CO -0.02 0.60 -0.01 1.49 0.00 0.00 0.00 179.25 181.31 2g18 h GLU 233 N 1.10 0.34 -0.60 0.00 4.57 -0.69 -0.28 114.58 119.02 2g18 h GLU 233 Ca 0.27 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2g18 h GLU 233 Cb 0.07 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2g18 h GLU 233 CO -0.04 0.56 0.40 -0.97 -1.18 0.00 0.00 179.01 177.77 2g18 h ASN 234 N 0.08 0.68 -0.17 1.04 -0.73 -0.89 -1.75 115.58 113.84 2g18 h ASN 234 Ca 0.05 -0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.05 2g18 h ASN 234 Cb 0.41 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2g18 h ASN 234 CO 0.01 0.49 -0.51 0.22 -0.37 0.00 0.00 177.43 177.28 2g18 h TYR 235 N 0.81 0.84 -0.94 0.67 3.20 -0.59 -0.92 116.97 120.03 2g18 h TYR 235 Ca 0.22 -0.33 0.02 0.00 3.14 0.00 0.00 58.73 61.77 2g18 h TYR 235 Cb -0.09 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 37.99 2g18 h TYR 235 CO -0.00 1.12 0.62 0.52 -1.64 0.00 0.00 178.16 178.78 2g18 h MET 236 N 0.32 1.21 0.00 1.82 2.86 -0.73 -0.23 114.93 120.17 2g18 h MET 236 Ca -0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2g18 h MET 236 Cb 1.13 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2g18 h MET 236 CO 0.11 0.80 -1.25 0.25 1.06 0.00 0.00 176.91 177.88 2g18 n THR 237 N -4.45 0.32 0.08 2.22 -2.24 -0.69 -1.24 114.28 108.29 2g18 n THR 237 Ca 0.11 -0.44 0.02 0.00 -2.27 0.00 0.00 64.05 61.48 2g18 n THR 237 Cb 0.04 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.34 0.00 -0.05 4.28 -2.24 -0.36 -3.73 114.28 109.84 2g18 n THR 238 Ca -0.00 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2g18 n THR 238 Cb 0.52 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.40 0.88 -0.06 2.28 0.31 -0.15 -4.68 118.33 115.51 2g18 n VAL 239 Ca -0.00 -0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2g18 n VAL 239 Cb 0.09 -1.75 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 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 -0.47 0.00 -5.36 7.52 3.38 -1.50 -3.42 115.31 115.46 2g18 h LEU 240 Ca -0.25 -0.66 -0.50 0.00 0.09 0.00 0.00 57.88 56.56 2g18 h LEU 240 Cb 1.09 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.43 2g18 h LEU 240 CO -0.15 0.85 -0.98 0.49 0.09 0.00 0.00 178.44 178.74 2g18 n PHE 241 N -4.66 1.91 -2.20 1.13 3.72 -0.37 -5.01 117.46 111.98 2g18 n PHE 241 Ca -0.07 -3.52 -0.41 0.00 -0.05 0.00 0.00 57.45 53.39 2g18 n PHE 241 Cb 0.33 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 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 -3.03 6.88 0.67 4.37 -4.77 -1.24 -4.73 116.67 114.82 2g18 s ASP 242 Ca 0.41 2.52 -0.16 0.00 -3.30 0.00 0.00 52.55 52.01 2g18 s ASP 242 Cb 0.36 -2.63 0.01 0.00 -1.09 0.00 0.00 42.92 39.57 2g18 s ASP 242 CO -0.09 -0.49 1.17 -0.76 0.70 0.00 0.00 175.17 175.70 2g18 s LEU 243 N -0.99 3.42 0.47 2.11 1.43 -1.26 -4.95 118.68 118.91 2g18 s LEU 243 Ca 0.52 2.22 0.25 0.00 -1.03 0.00 0.00 54.13 56.09 2g18 s LEU 243 Cb -0.38 -4.58 1.07 0.00 0.03 0.00 0.00 46.19 42.34 2g18 s LEU 243 CO 0.45 -1.88 1.89 1.55 0.23 0.00 0.00 176.35 178.59 2g18 h PRO 244 N 0.08 0.00 -0.01 1.29 0.13 -1.93 -3.52 132.00 128.04 2g18 h PRO 244 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2g18 h PRO 244 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2g18 h PRO 244 CO 0.52 0.19 0.00 0.39 -0.23 0.00 0.00 178.00 178.88