#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 0.00 -2.58 2.46 5.85 -1.99 -2.46 115.31 116.58 2g18 h LEU 9 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 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 0.03 0.08 -0.34 0.00 0.00 178.44 178.21 2g18 h ARG 10 N 0.00 0.00 0.00 1.25 0.11 -1.97 -0.75 114.38 113.01 2g18 h ARG 10 Ca 0.33 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.36 2g18 h ARG 10 Cb 1.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.49 2g18 h ARG 10 CO -0.00 0.00 -0.25 0.93 0.10 0.00 0.00 179.97 180.75 2g18 h GLU 11 N 0.00 0.00 -0.04 0.08 4.39 -1.86 -2.76 114.58 114.39 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 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2g18 h GLU 11 CO -0.00 0.25 0.00 1.04 -1.16 0.00 0.00 179.01 179.14 2g18 n GLN 12 N -3.70 1.91 -3.22 2.33 6.02 -0.29 -4.98 117.38 115.44 2g18 n GLN 12 Ca -0.01 -1.32 -0.19 0.00 -0.01 0.00 0.00 57.00 55.47 2g18 n GLN 12 Cb 0.36 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2g18 n GLN 12 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2g18 s GLN 13 N -1.97 2.67 0.25 -1.09 -0.21 -1.04 -5.05 119.66 113.21 2g18 s GLN 13 Ca 0.35 -1.40 -0.30 0.00 0.02 0.00 0.00 55.36 54.03 2g18 s GLN 13 Cb 0.20 -2.60 -0.14 0.00 1.00 0.00 0.00 33.01 31.47 2g18 s GLN 13 CO 0.32 -0.31 1.13 1.58 -2.12 0.00 0.00 175.29 175.89 2g18 n HIS 14 N -1.78 1.44 -0.09 0.91 -0.00 -1.26 -4.75 115.22 109.68 2g18 n HIS 14 Ca 0.07 0.65 0.10 0.00 -0.00 0.00 0.00 57.72 58.54 2g18 n HIS 14 Cb 0.60 -2.29 0.46 0.00 -0.00 0.00 0.00 29.99 28.76 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 2.77 0.48 -0.14 1.57 0.11 -1.97 -0.96 132.00 133.87 2g18 h PRO 15 Ca -0.42 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 2g18 h PRO 15 Cb 1.33 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2g18 h PRO 15 CO 0.66 0.32 -0.38 1.25 -0.21 0.00 0.00 178.00 179.64 2g18 h LEU 16 N 0.49 0.31 -0.33 2.35 5.85 -1.99 -0.15 115.31 121.84 2g18 h LEU 16 Ca 0.27 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2g18 h LEU 16 Cb 0.42 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2g18 h LEU 16 CO -0.08 0.67 -0.02 0.40 -0.34 0.00 0.00 178.44 179.07 2g18 h ILE 17 N 0.25 1.26 -0.74 4.05 2.04 -1.54 -0.35 117.51 122.48 2g18 h ILE 17 Ca 0.03 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 2g18 h ILE 17 Cb 0.79 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 2g18 h ILE 17 CO 0.06 0.33 0.38 -0.09 0.00 0.00 0.00 178.15 178.83 2g18 h ARG 18 N 0.40 1.05 -0.45 2.37 2.43 -1.19 -0.22 114.38 118.77 2g18 h ARG 18 Ca 0.09 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2g18 h ARG 18 Cb 0.48 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2g18 h ARG 18 CO 0.02 0.81 0.13 1.96 -1.51 0.00 0.00 179.97 181.38 2g18 h GLN 19 N 1.03 0.71 -0.45 0.20 4.20 -0.89 -1.28 115.11 118.64 2g18 h GLN 19 Ca 0.26 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2g18 h GLN 19 Cb 0.08 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2g18 h GLN 19 CO -0.04 0.69 -0.06 1.25 -0.67 0.00 0.00 178.83 180.01 2g18 h LEU 20 N 0.60 0.83 0.16 1.46 5.85 -0.84 -0.09 115.31 123.28 2g18 h LEU 20 Ca 0.15 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2g18 h LEU 20 Cb 0.28 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2g18 h LEU 20 CO -0.00 0.97 -0.12 0.00 -0.34 0.00 0.00 178.44 178.95 2g18 h ALA 21 N 0.89 -0.27 -0.88 1.25 0.00 -0.89 0.34 119.26 119.70 2g18 h ALA 21 Ca 0.12 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2g18 h ALA 21 Cb 0.58 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2g18 h ALA 21 CO 0.04 -0.66 0.58 -0.44 0.00 0.00 0.00 179.25 178.76 2g18 h ASP 22 N -0.29 0.99 -0.41 0.00 3.32 -1.13 -1.83 116.42 117.07 2g18 h ASP 22 Ca -0.01 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 2g18 h ASP 22 Cb 0.26 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2g18 h ASP 22 CO -0.01 0.71 -0.13 0.00 -1.72 0.00 0.00 179.24 178.09 2g18 h ILE 24 N 0.64 0.88 -0.63 0.00 2.04 -0.69 -2.04 117.51 117.70 2g18 h ILE 24 Ca 0.10 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.95 2g18 h ILE 24 Cb 0.66 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2g18 h ILE 24 CO 0.05 0.01 0.41 -0.33 0.00 0.00 0.00 178.15 178.28 2g18 h GLU 25 N -0.19 0.79 -0.43 2.37 5.08 -1.25 -1.56 114.58 119.39 2g18 h GLU 25 Ca -0.02 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2g18 h GLU 25 Cb 0.14 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2g18 h GLU 25 CO 0.03 0.52 0.17 1.49 -1.00 0.00 0.00 179.01 180.22 2g18 h GLU 26 N 0.81 0.35 -0.21 2.33 4.81 -0.62 -1.03 114.58 121.02 2g18 h GLU 26 Ca 0.24 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2g18 h GLU 26 Cb -0.04 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2g18 h GLU 26 CO -0.08 0.23 0.00 0.28 -0.73 0.00 0.00 179.01 178.71 2g18 h VAL 27 N 0.36 1.25 -0.47 0.32 2.07 -1.08 -1.67 116.25 117.03 2g18 h VAL 27 Ca 0.20 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.94 2g18 h VAL 27 Cb 0.16 1.42 -0.10 0.00 -1.52 0.00 0.00 31.29 31.25 2g18 h VAL 27 CO -0.18 0.27 -0.19 -0.50 0.02 0.00 0.00 177.57 176.98 2g18 h TRP 28 N 0.13 -0.48 -0.24 1.57 6.55 -0.98 -1.29 115.95 121.21 2g18 h TRP 28 Ca 0.06 0.05 -0.07 0.00 0.95 0.00 0.00 58.89 59.88 2g18 h TRP 28 Cb 0.39 0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.96 2g18 h TRP 28 CO 0.03 -0.28 -0.14 0.45 -1.05 0.00 0.00 178.44 177.45 2g18 h HIS 29 N -0.09 0.44 -0.06 0.49 3.86 -1.04 -0.25 115.15 118.51 2g18 h HIS 29 Ca 0.22 -0.07 -0.22 0.00 -1.16 0.00 0.00 60.37 59.15 2g18 h HIS 29 Cb 0.44 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.80 2g18 h HIS 29 CO -0.47 0.54 -0.81 0.37 0.86 0.00 0.00 177.93 178.43 2g18 h GLN 30 N 0.38 0.65 0.00 2.45 4.15 -0.73 -3.38 115.11 118.64 2g18 h GLN 30 Ca 0.07 -0.62 -0.07 0.00 0.77 0.00 0.00 58.65 58.80 2g18 h GLN 30 Cb 0.48 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 2g18 h GLN 30 CO 0.03 1.23 -1.89 0.72 -1.93 0.00 0.00 178.83 176.99 2g18 n HIS 31 N -4.00 0.00 -4.09 3.99 8.25 -0.54 -5.04 115.22 113.79 2g18 n HIS 31 Ca -0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.13 2g18 n HIS 31 Cb 0.76 -0.50 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 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 -4.47 3.26 -0.66 2.41 1.43 -0.11 -5.03 118.68 115.50 2g18 s LEU 32 Ca -0.07 -0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 52.09 2g18 s LEU 32 Cb 0.10 -1.73 0.16 0.00 0.03 0.00 0.00 46.19 44.75 2g18 s LEU 32 CO 0.72 -0.31 0.63 -0.62 0.23 0.00 0.00 176.35 176.99 2g18 s ASP 33 N -3.85 6.42 0.11 2.29 2.15 -1.26 -4.71 116.67 117.81 2g18 s ASP 33 Ca 0.38 -2.12 -0.23 0.00 0.43 0.00 0.00 52.55 51.01 2g18 s ASP 33 Cb -0.02 -2.22 -0.07 0.00 -0.30 0.00 0.00 42.92 40.31 2g18 s ASP 33 CO 0.23 -0.77 0.68 -0.76 -0.17 0.00 0.00 175.17 174.38 2g18 s LEU 34 N 1.14 4.55 0.12 -1.34 1.43 -1.26 -4.38 118.68 118.94 2g18 s LEU 34 Ca 0.10 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 2g18 s LEU 34 Cb -0.21 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2g18 s LEU 34 CO -0.02 0.21 -0.12 -0.44 0.23 0.00 0.00 176.35 176.21 2g18 s SER 35 N -0.97 1.80 0.46 2.29 0.01 -0.18 -4.97 113.70 112.14 2g18 s SER 35 Ca 0.33 -0.83 -0.23 0.00 1.31 0.00 0.00 55.95 56.53 2g18 s SER 35 Cb -0.21 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 2g18 s SER 35 CO 0.23 -0.20 1.22 -2.16 0.41 0.00 0.00 173.24 172.74 2g18 s PRO 36 N -2.81 3.72 -0.12 12.44 0.04 -1.26 -0.88 135.00 146.13 2g18 s PRO 36 Ca 0.08 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.08 2g18 s PRO 36 Cb -0.04 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 32.04 2g18 s PRO 36 CO 0.02 -0.63 -0.22 -0.47 0.04 0.00 0.00 177.00 175.74 2g18 s TYR 37 N -1.44 2.56 -0.21 0.56 5.04 -0.82 -4.52 117.35 118.51 2g18 s TYR 37 Ca 0.63 -1.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.04 2g18 s TYR 37 Cb -0.32 -1.73 -0.01 0.00 0.35 0.00 0.00 41.96 40.24 2g18 s TYR 37 CO 0.40 -0.52 -0.05 -1.01 -1.34 0.00 0.00 175.55 173.03 2g18 s HIS 38 N 0.64 2.95 0.93 4.97 3.76 -1.26 -4.23 115.29 123.04 2g18 s HIS 38 Ca -0.12 -0.90 -0.14 0.00 -0.15 0.00 0.00 55.06 53.75 2g18 s HIS 38 Cb -0.16 -2.09 0.15 0.00 1.11 0.00 0.00 32.58 31.59 2g18 s HIS 38 CO 0.02 -0.52 1.19 -0.51 -0.85 0.00 0.00 174.74 174.08 2g18 s LEU 39 N 1.40 2.17 0.26 0.89 1.43 -1.26 -5.02 118.68 118.55 2g18 s LEU 39 Ca 0.05 0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 53.56 2g18 s LEU 39 Cb -0.14 -2.96 -0.12 0.00 0.03 0.00 0.00 46.19 43.00 2g18 s LEU 39 CO -0.03 -2.59 1.62 -0.81 0.23 0.00 0.00 176.35 174.77 2g18 n PRO 40 N -3.75 2.65 -0.30 1.29 -0.04 -1.26 -4.86 135.00 128.73 2g18 n PRO 40 Ca 0.10 0.95 0.27 0.00 -0.04 0.00 0.00 63.50 64.78 2g18 n PRO 40 Cb 0.60 -2.74 0.62 0.00 -0.04 0.00 0.00 33.50 31.94 2g18 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g18 h ALA 41 N 5.30 2.60 0.00 0.55 0.00 -2.02 0.50 119.26 126.19 2g18 h ALA 41 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2g18 h ALA 41 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2g18 h ALA 41 CO 0.84 -0.96 0.02 0.93 0.00 0.00 0.00 179.25 180.08 2g18 h GLU 42 N 0.21 0.00 -0.00 0.00 5.08 -1.91 -2.96 114.58 115.00 2g18 h GLU 42 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2g18 h GLU 42 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2g18 h GLU 42 CO -0.16 0.00 -0.46 1.28 -1.00 0.00 0.00 179.01 178.67 2g18 n LEU 43 N -2.39 0.84 0.00 1.33 4.77 0.18 -4.45 117.00 117.28 2g18 n LEU 43 Ca -0.02 -0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 55.33 2g18 n LEU 43 Cb 0.06 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.32 2g18 n LEU 43 CO 0.11 0.18 0.70 1.23 -1.33 0.00 0.00 177.39 178.28 2g18 h GLY 44 N 2.79 0.57 -7.06 -0.72 0.00 -1.61 -3.42 103.07 93.62 2g18 h GLY 44 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 47.33 46.52 2g18 h GLY 44 CO 0.00 0.44 -0.68 -0.47 0.00 0.00 0.00 176.54 175.84 2g18 s TYR 45 N -4.44 -0.08 -0.06 5.60 5.04 -1.26 -0.73 117.35 121.42 2g18 s TYR 45 Ca -0.07 0.44 0.04 0.00 -2.44 0.00 0.00 57.07 55.04 2g18 s TYR 45 Cb 0.13 -0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.09 2g18 s TYR 45 CO 0.80 -0.26 -0.17 0.08 -1.34 0.00 0.00 175.55 174.67 2g18 s VAL 46 N 2.24 1.43 -0.02 3.14 1.01 -0.05 -4.92 120.40 123.23 2g18 s VAL 46 Ca 0.04 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.40 2g18 s VAL 46 Cb -0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2g18 s VAL 46 CO -0.05 0.42 -0.23 -1.61 0.00 0.00 0.00 175.10 173.63 2g18 s GLU 47 N 0.25 1.89 0.00 2.72 2.02 -1.26 -0.67 118.70 123.65 2g18 s GLU 47 Ca -0.09 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.09 2g18 s GLU 47 Cb -0.13 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2g18 s GLU 47 CO 0.03 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.20 2g18 n GLY 48 N 2.56 2.92 2.90 -1.39 0.00 -0.15 -4.99 105.19 107.04 2g18 n GLY 48 Ca -0.16 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.79 0.08 -0.20 1.61 1.81 -1.26 -0.59 118.95 119.61 2g18 s ARG 49 Ca 0.00 -0.13 -0.05 0.00 -1.72 0.00 0.00 55.73 53.84 2g18 s ARG 49 Cb 0.00 0.01 0.10 0.00 -0.45 0.00 0.00 34.95 34.61 2g18 s ARG 49 CO 0.00 -0.01 0.35 -1.17 -0.68 0.00 0.00 175.30 173.80 2g18 s LEU 50 N -0.30 -0.53 -1.50 2.53 2.96 -0.14 -4.69 118.68 117.02 2g18 s LEU 50 Ca -0.03 0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 54.28 2g18 s LEU 50 Cb -0.02 1.05 0.07 0.00 0.50 0.00 0.00 46.19 47.79 2g18 s LEU 50 CO -0.00 -0.27 0.95 -0.62 -1.32 0.00 0.00 176.35 175.09 2g18 n GLU 51 N 5.37 -5.59 0.00 1.98 -0.58 -1.26 -0.54 120.64 120.02 2g18 n GLU 51 Ca -0.06 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 2g18 n GLU 51 Cb 0.50 -5.53 0.00 0.00 -0.57 0.00 0.00 31.44 25.84 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 -1.68 2.97 3.80 0.62 0.00 -1.26 -5.01 105.19 104.63 2g18 n GLY 52 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 4.19 0.13 1.61 0.41 0.30 -5.02 118.70 120.32 2g18 s GLU 53 Ca 0.00 1.26 -0.30 0.00 -0.41 0.00 0.00 54.97 55.52 2g18 s GLU 53 Cb 0.00 -2.32 -0.07 0.00 -1.78 0.00 0.00 34.13 29.96 2g18 s GLU 53 CO 0.00 -0.07 1.17 0.21 -0.49 0.00 0.00 175.26 176.07 2g18 s LYS 54 N -2.89 4.49 -0.15 1.61 2.20 -1.26 -0.97 119.74 122.77 2g18 s LYS 54 Ca 0.60 1.78 -0.04 0.00 -0.36 0.00 0.00 55.97 57.96 2g18 s LYS 54 Cb -0.14 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 2g18 s LYS 54 CO 0.18 -0.12 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.86 2g18 s LEU 55 N 0.31 3.30 -0.02 5.43 0.20 0.24 -0.89 118.68 127.25 2g18 s LEU 55 Ca 0.54 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 55.28 2g18 s LEU 55 Cb -0.30 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.67 2g18 s LEU 55 CO 0.33 0.19 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.63 2g18 s THR 56 N 0.25 0.49 -0.07 3.68 2.01 0.21 -0.97 115.64 121.24 2g18 s THR 56 Ca -0.02 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.80 2g18 s THR 56 Cb -0.14 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.93 2g18 s THR 56 CO 0.03 0.17 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.38 2g18 s ILE 57 N 0.26 1.06 -0.14 1.82 1.01 0.15 -1.02 121.20 124.35 2g18 s ILE 57 Ca -0.03 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2g18 s ILE 57 Cb -0.07 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.43 2g18 s ILE 57 CO -0.00 0.34 -0.17 -0.70 0.00 0.00 0.00 174.94 174.41 2g18 s GLU 58 N 0.77 2.57 -0.08 2.79 2.12 0.46 -0.87 118.70 126.46 2g18 s GLU 58 Ca -0.13 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 54.55 2g18 s GLU 58 Cb -0.15 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.01 2g18 s GLU 58 CO 0.02 -0.13 -0.14 -0.80 -0.54 0.00 0.00 175.26 173.67 2g18 s ASN 59 N 1.16 4.02 -0.04 -1.70 0.01 0.09 -0.67 114.94 117.82 2g18 s ASN 59 Ca -0.01 -0.24 -0.00 0.00 -0.71 0.00 0.00 52.86 51.90 2g18 s ASN 59 Cb -0.14 -1.10 0.03 0.00 0.41 0.00 0.00 41.25 40.45 2g18 s ASN 59 CO -0.07 0.29 0.00 -0.60 -1.51 0.00 0.00 177.10 175.21 2g18 s ARG 60 N -0.38 0.36 0.03 -0.60 3.52 0.16 -4.81 118.95 117.24 2g18 s ARG 60 Ca 0.04 0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.78 2g18 s ARG 60 Cb -0.12 -0.59 -0.02 0.00 -1.56 0.00 0.00 34.95 32.65 2g18 s ARG 60 CO 0.02 -0.17 -0.13 0.00 -0.81 0.00 0.00 175.30 174.21 2g18 s TYR 62 N -0.75 1.40 0.07 0.00 1.51 -0.04 -1.95 117.35 117.59 2g18 s TYR 62 Ca 0.02 -1.38 -0.06 0.00 -1.01 0.00 0.00 57.07 54.63 2g18 s TYR 62 Cb -0.07 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 2g18 s TYR 62 CO 0.01 -0.59 0.11 1.14 -1.11 0.00 0.00 175.55 175.11 2g18 s GLN 63 N -3.96 0.74 0.29 -0.62 -2.07 -0.06 0.74 119.66 114.72 2g18 s GLN 63 Ca 0.38 -1.01 -0.01 0.00 -1.82 0.00 0.00 55.36 52.91 2g18 s GLN 63 Cb 0.06 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2g18 s GLN 63 CO 0.16 -0.20 0.33 0.95 -1.32 0.00 0.00 175.29 175.20 2g18 s THR 64 N -3.70 0.00 0.53 3.63 -4.23 -0.61 -1.01 115.64 110.24 2g18 s THR 64 Ca 0.04 -1.80 0.19 0.00 -1.18 0.00 0.00 61.69 58.95 2g18 s THR 64 Cb 0.05 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.69 2g18 s THR 64 CO -0.10 0.00 2.11 -0.65 -0.54 0.00 0.00 174.62 175.44 2g18 h PRO 65 N 2.27 0.00 0.00 3.99 0.11 -2.02 -2.68 132.00 133.67 2g18 h PRO 65 Ca -0.29 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 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 -1.66 1.04 -0.21 0.00 0.00 178.00 177.59 2g18 n GLN 66 N -4.47 0.64 -4.10 1.05 3.00 -1.26 -4.85 117.38 107.39 2g18 n GLN 66 Ca 0.01 0.10 -0.34 0.00 -0.01 0.00 0.00 57.00 56.76 2g18 n GLN 66 Cb 0.25 -1.71 -0.14 0.00 0.00 0.00 0.00 30.24 28.64 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 2.93 0.31 1.08 0.40 -1.01 -0.47 117.98 118.23 2g18 s PHE 67 Ca -0.05 -0.87 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 2g18 s PHE 67 Cb 0.09 -2.04 0.50 0.00 0.51 0.00 0.00 43.02 42.08 2g18 s PHE 67 CO 0.83 -0.46 1.81 -0.09 0.70 0.00 0.00 175.22 178.01 2g18 h ARG 68 N 7.76 0.56 -1.70 0.44 2.43 -0.88 -1.63 114.38 121.35 2g18 h ARG 68 Ca -0.38 -0.15 0.08 0.00 -0.81 0.00 0.00 59.98 58.72 2g18 h ARG 68 Cb 1.17 -0.07 -0.23 0.00 -0.42 0.00 0.00 29.97 30.42 2g18 h ARG 68 CO 0.60 0.64 0.15 0.21 -1.51 0.00 0.00 179.97 180.06 2g18 s LYS 69 N -4.84 0.52 -0.24 0.20 2.20 -1.15 -4.65 119.74 111.78 2g18 s LYS 69 Ca -0.08 1.00 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 2g18 s LYS 69 Cb 0.15 0.27 0.06 0.00 -1.51 0.00 0.00 37.83 36.80 2g18 s LYS 69 CO 0.78 -0.13 -0.06 -1.64 -0.36 0.00 0.00 175.35 173.94 2g18 s MET 70 N 1.83 1.75 -0.15 4.03 -1.94 0.23 -0.35 119.30 124.69 2g18 s MET 70 Ca -0.08 -1.10 0.02 0.00 -1.71 0.00 0.00 55.69 52.82 2g18 s MET 70 Cb -0.06 -2.67 0.02 0.00 2.01 0.00 0.00 34.83 34.13 2g18 s MET 70 CO -0.18 -0.61 -0.19 -1.58 -0.01 0.00 0.00 175.02 172.45 2g18 s HIS 71 N 1.32 2.54 -0.23 -0.03 5.04 -0.33 -0.86 115.29 122.73 2g18 s HIS 71 Ca -0.06 -1.37 -0.03 0.00 -1.54 0.00 0.00 55.06 52.06 2g18 s HIS 71 Cb -0.19 -1.76 0.01 0.00 0.04 0.00 0.00 32.58 30.67 2g18 s HIS 71 CO -0.06 -0.67 -0.05 -1.17 -2.34 0.00 0.00 174.74 170.45 2g18 s LEU 72 N 1.09 3.02 -0.14 8.88 2.96 0.56 -1.60 118.68 133.45 2g18 s LEU 72 Ca -0.01 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 2g18 s LEU 72 Cb -0.14 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 2g18 s LEU 72 CO -0.07 -0.07 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.05 2g18 s GLU 73 N 1.41 3.32 -0.09 1.98 2.12 0.19 -0.66 118.70 126.95 2g18 s GLU 73 Ca 0.03 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.68 2g18 s GLU 73 Cb -0.15 -2.61 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 2g18 s GLU 73 CO -0.04 0.15 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.12 2g18 s LEU 74 N 0.49 2.31 0.03 2.70 1.43 0.16 -0.47 118.68 125.34 2g18 s LEU 74 Ca -0.10 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2g18 s LEU 74 Cb -0.16 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2g18 s LEU 74 CO 0.04 0.20 -0.07 0.00 0.23 0.00 0.00 176.35 176.75 2g18 s ALA 75 N 0.14 0.49 -0.04 4.21 0.00 0.22 -0.40 121.76 126.37 2g18 s ALA 75 Ca -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2g18 s ALA 75 Cb -0.16 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2g18 s ALA 75 CO 0.06 -0.03 0.10 0.21 0.00 0.00 0.00 175.76 176.10 2g18 s LYS 76 N -1.44 0.10 -0.25 0.00 2.20 -0.18 -0.48 119.74 119.69 2g18 s LYS 76 Ca -0.10 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2g18 s LYS 76 Cb -0.09 0.02 0.07 0.00 -1.51 0.00 0.00 37.83 36.31 2g18 s LYS 76 CO 0.00 -0.04 -0.04 0.08 -0.36 0.00 0.00 175.35 174.99 2g18 s VAL 77 N 0.22 1.63 0.00 4.02 1.01 -0.13 -0.62 120.40 126.53 2g18 s VAL 77 Ca -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2g18 s VAL 77 Cb -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2g18 s VAL 77 CO -0.01 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2g18 n GLY 78 N 4.62 1.79 0.91 4.51 0.00 -0.07 -1.10 105.19 115.85 2g18 n GLY 78 Ca -0.10 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.97 3.53 0.07 1.61 3.02 -1.26 -4.57 115.26 118.63 2g18 n ASN 79 Ca 0.00 -2.31 -0.15 0.00 -0.03 0.00 0.00 54.58 52.09 2g18 n ASN 79 Cb 0.00 -0.38 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 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 2.48 0.22 -2.85 3.52 2.86 -1.50 -2.58 114.93 117.07 2g18 h MET 80 Ca 0.00 -0.37 -0.16 0.00 -2.06 0.00 0.00 59.70 57.11 2g18 h MET 80 Cb 1.04 0.14 -0.28 0.00 0.06 0.00 0.00 31.60 32.55 2g18 h MET 80 CO 0.09 1.10 -0.40 -1.17 1.06 0.00 0.00 176.91 177.60 2g18 s LEU 81 N -6.96 0.18 -0.03 1.22 2.96 -0.91 -4.33 118.68 110.82 2g18 s LEU 81 Ca -0.06 0.69 0.06 0.00 -0.22 0.00 0.00 54.13 54.60 2g18 s LEU 81 Cb 0.07 1.02 -0.01 0.00 0.50 0.00 0.00 46.19 47.77 2g18 s LEU 81 CO 0.86 -0.18 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.70 2g18 s ASP 82 N 1.32 2.41 -0.02 3.68 1.01 -0.64 -0.95 116.67 123.48 2g18 s ASP 82 Ca -0.09 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.79 2g18 s ASP 82 Cb -0.09 -0.43 0.02 0.00 1.01 0.00 0.00 42.92 43.43 2g18 s ASP 82 CO -0.10 0.22 0.01 -0.63 0.21 0.00 0.00 175.17 174.88 2g18 s ILE 83 N -0.29 0.01 -0.08 0.77 1.01 0.37 -0.92 121.20 122.07 2g18 s ILE 83 Ca 0.03 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.85 2g18 s ILE 83 Cb -0.10 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.26 2g18 s ILE 83 CO 0.01 0.08 -0.23 -0.22 0.00 0.00 0.00 174.94 174.58 2g18 s LEU 84 N 0.75 2.19 -0.04 2.97 0.20 0.20 -0.61 118.68 124.33 2g18 s LEU 84 Ca -0.06 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.28 2g18 s LEU 84 Cb -0.09 -1.42 0.02 0.00 -0.43 0.00 0.00 46.19 44.26 2g18 s LEU 84 CO -0.02 0.22 -0.04 -2.28 -0.29 0.00 0.00 176.35 173.94 2g18 s HIS 85 N 0.00 0.67 -0.03 5.38 5.65 0.38 -0.82 115.29 126.52 2g18 s HIS 85 Ca -0.08 -0.17 0.00 0.00 0.25 0.00 0.00 55.06 55.07 2g18 s HIS 85 Cb -0.15 -0.60 0.03 0.00 -1.18 0.00 0.00 32.58 30.67 2g18 s HIS 85 CO 0.05 -0.17 -0.01 0.00 -0.65 0.00 0.00 174.74 173.97 2g18 s VAL 87 N 1.07 0.21 -0.25 0.00 1.01 -0.63 -1.05 120.40 120.75 2g18 s VAL 87 Ca -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2g18 s VAL 87 Cb -0.14 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.04 2g18 s VAL 87 CO -0.02 0.08 -0.01 -0.04 0.00 0.00 0.00 175.10 175.11 2g18 s MET 88 N 0.17 3.16 -0.39 2.72 -1.94 -0.19 -1.18 119.30 121.65 2g18 s MET 88 Ca -0.01 -0.78 -0.14 0.00 -1.71 0.00 0.00 55.69 53.05 2g18 s MET 88 Cb -0.04 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.71 2g18 s MET 88 CO -0.00 -0.32 0.27 -0.06 -0.01 0.00 0.00 175.02 174.89 2g18 s PHE 89 N 1.45 3.24 0.60 -0.03 0.40 0.52 -3.69 117.98 120.46 2g18 s PHE 89 Ca 0.03 -0.59 -0.18 0.00 -0.60 0.00 0.00 56.93 55.60 2g18 s PHE 89 Cb -0.16 -2.53 -0.03 0.00 0.51 0.00 0.00 43.02 40.81 2g18 s PHE 89 CO -0.02 -0.55 1.16 -2.14 0.70 0.00 0.00 175.22 174.37 2g18 s PRO 90 N 1.66 3.00 0.38 0.24 0.02 -1.26 -0.34 135.00 138.70 2g18 s PRO 90 Ca 0.05 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.46 2g18 s PRO 90 Cb -0.19 -1.95 -0.11 0.00 0.02 0.00 0.00 34.50 32.27 2g18 s PRO 90 CO 0.09 -1.15 1.49 0.54 -0.33 0.00 0.00 177.00 177.65 2g18 n ARG 91 N -1.73 2.69 0.00 5.54 1.74 0.38 -4.37 116.66 120.91 2g18 n ARG 91 Ca 0.12 0.94 0.05 0.00 -0.77 0.00 0.00 57.85 58.20 2g18 n ARG 91 Cb 0.50 -2.68 0.29 0.00 -1.02 0.00 0.00 32.46 29.55 2g18 n ARG 91 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2g18 n PRO 92 N 0.42 0.20 0.15 5.56 -0.04 -1.26 -1.10 135.00 138.93 2g18 n PRO 92 Ca 0.01 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2g18 n PRO 92 Cb 0.39 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.82 2g18 n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2g18 h GLU 93 N 0.00 0.00 -4.98 0.54 3.07 -1.91 -3.42 114.58 107.88 2g18 h GLU 93 Ca 0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.20 2g18 h GLU 93 Cb 0.08 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 27.72 2g18 h GLU 93 CO 0.00 0.00 -0.70 0.71 -1.40 0.00 0.00 179.01 177.62 2g18 s TYR 94 N -3.29 2.99 -1.28 4.33 1.51 -0.26 0.33 117.35 121.69 2g18 s TYR 94 Ca 0.06 -0.82 -0.19 0.00 -1.01 0.00 0.00 57.07 55.11 2g18 s TYR 94 Cb 0.10 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2g18 s TYR 94 CO 0.49 -0.51 1.83 -3.47 -1.11 0.00 0.00 175.55 172.78 2g18 n ASP 95 N 4.83 4.39 -3.99 2.29 2.03 -1.26 -4.80 116.55 120.03 2g18 n ASP 95 Ca -0.18 -2.86 -0.19 0.00 0.52 0.00 0.00 54.79 52.09 2g18 n ASP 95 Cb 0.51 -1.72 -0.15 0.00 -0.72 0.00 0.00 41.12 39.04 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 5.38 1.87 1.06 -2.67 1.43 -1.26 -4.91 118.68 119.58 2g18 s LEU 96 Ca 0.56 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 2g18 s LEU 96 Cb 0.04 -0.44 0.22 0.00 0.03 0.00 0.00 46.19 46.04 2g18 s LEU 96 CO 0.08 0.07 1.10 -2.16 0.23 0.00 0.00 176.35 175.67 2g18 s PRO 97 N 0.06 -0.10 -0.35 1.29 0.04 -1.26 -4.66 135.00 130.02 2g18 s PRO 97 Ca -0.01 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.19 2g18 s PRO 97 Cb -0.06 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 2g18 s PRO 97 CO -0.00 -3.04 0.41 -1.64 0.04 0.00 0.00 177.00 172.77 2g18 s MET 98 N -5.10 3.56 0.10 4.56 -1.94 -0.13 -4.73 119.30 115.62 2g18 s MET 98 Ca 0.67 -0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 53.99 2g18 s MET 98 Cb -0.16 -3.81 -0.06 0.00 2.01 0.00 0.00 34.83 32.81 2g18 s MET 98 CO 0.57 -0.57 1.10 0.12 -0.01 0.00 0.00 175.02 176.23 2g18 s PHE 99 N 2.13 3.56 -0.01 -0.03 5.36 -1.24 -0.60 117.98 127.16 2g18 s PHE 99 Ca 0.14 1.52 -0.02 0.00 -0.96 0.00 0.00 56.93 57.61 2g18 s PHE 99 Cb -0.16 -3.28 -0.00 0.00 -0.34 0.00 0.00 43.02 39.23 2g18 s PHE 99 CO 0.12 -0.69 0.04 0.20 -1.46 0.00 0.00 175.22 173.43 2g18 s GLY 100 N 0.55 0.04 0.03 13.12 0.00 -0.57 -1.03 107.32 119.47 2g18 s GLY 100 Ca 0.53 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 45.07 2g18 s GLY 100 CO 0.31 -0.12 0.22 0.00 0.00 0.00 0.00 173.10 173.51 2g18 s ASP 102 N -1.90 -0.13 -0.05 0.00 1.01 -0.29 -0.60 116.67 114.71 2g18 s ASP 102 Ca -0.07 0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.44 2g18 s ASP 102 Cb -0.02 0.29 0.02 0.00 1.01 0.00 0.00 42.92 44.22 2g18 s ASP 102 CO -0.02 -0.09 -0.04 -0.22 0.21 0.00 0.00 175.17 175.01 2g18 s LEU 103 N -0.09 1.27 -0.08 1.23 2.96 0.00 -1.23 118.68 122.75 2g18 s LEU 103 Ca -0.02 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2g18 s LEU 103 Cb -0.02 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.21 2g18 s LEU 103 CO 0.00 -0.06 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.15 2g18 s VAL 104 N 1.02 1.24 0.10 1.68 1.01 -0.38 -0.63 120.40 124.44 2g18 s VAL 104 Ca -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2g18 s VAL 104 Cb -0.14 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2g18 s VAL 104 CO -0.00 0.38 0.12 0.61 0.00 0.00 0.00 175.10 176.21 2g18 n GLY 105 N 4.02 3.25 0.00 4.51 0.00 -0.10 -0.91 105.19 115.96 2g18 n GLY 105 Ca -0.21 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 1.03 3.92 -0.02 0.00 -0.63 -1.61 105.19 107.70 2g18 n GLY 106 Ca 0.01 0.35 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.73 -0.82 1.61 1.85 -0.97 -2.15 116.66 115.44 2g18 n ARG 107 Ca 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 2g18 n ARG 107 Cb 0.00 -2.12 0.00 0.00 -1.05 0.00 0.00 32.46 29.29 2g18 n ARG 107 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2g18 n GLY 108 N -1.84 0.43 3.39 2.89 0.00 -1.26 -4.97 105.19 103.83 2g18 n GLY 108 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.65 2.82 -0.36 1.61 -1.52 -0.92 -5.08 119.66 115.57 2g18 s GLN 109 Ca 0.00 -0.74 -0.16 0.00 -1.95 0.00 0.00 55.36 52.51 2g18 s GLN 109 Cb 0.00 -2.42 -0.00 0.00 -0.22 0.00 0.00 33.01 30.37 2g18 s GLN 109 CO 0.00 0.43 0.42 0.42 -0.25 0.00 0.00 175.29 176.31 2g18 s ILE 110 N -0.23 5.11 -0.05 1.08 1.01 -1.26 -1.60 121.20 125.27 2g18 s ILE 110 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 60.65 60.84 2g18 s ILE 110 Cb -0.13 -3.90 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 2g18 s ILE 110 CO 0.03 -0.19 0.97 0.77 0.00 0.00 0.00 174.94 176.52 2g18 h SER 111 N 8.51 0.00 -3.41 3.58 4.64 -1.37 -3.37 113.55 122.13 2g18 h SER 111 Ca -0.29 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.87 2g18 h SER 111 Cb 1.13 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.94 2g18 h SER 111 CO 0.73 0.80 -0.41 0.00 -0.87 0.00 0.00 176.83 177.09 2g18 s ALA 112 N -2.77 -0.73 -0.07 5.18 0.00 -1.04 -4.43 121.76 117.90 2g18 s ALA 112 Ca -0.02 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 2g18 s ALA 112 Cb 0.09 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2g18 s ALA 112 CO 0.81 -0.21 -0.03 0.00 0.00 0.00 0.00 175.76 176.33 2g18 s ALA 113 N 1.08 0.78 -0.01 0.00 0.00 0.09 -1.25 121.76 122.47 2g18 s ALA 113 Ca -0.08 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.75 2g18 s ALA 113 Cb -0.08 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2g18 s ALA 113 CO -0.08 -0.27 -0.08 -1.50 0.00 0.00 0.00 175.76 173.84 2g18 s ILE 114 N 1.49 0.63 -0.07 0.00 2.07 -0.37 -1.13 121.20 123.82 2g18 s ILE 114 Ca -0.02 -0.32 -0.07 0.00 -1.41 0.00 0.00 60.65 58.83 2g18 s ILE 114 Cb -0.13 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 41.93 2g18 s ILE 114 CO -0.03 0.19 0.19 0.00 -1.91 0.00 0.00 174.94 173.37 2g18 s ALA 115 N -0.05 -0.47 0.11 1.50 0.00 -0.07 -1.14 121.76 121.64 2g18 s ALA 115 Ca 0.01 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 2g18 s ALA 115 Cb -0.05 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.80 2g18 s ALA 115 CO -0.00 -0.09 0.42 0.34 0.00 0.00 0.00 175.76 176.43 2g18 s ASP 116 N 0.09 -0.27 -0.60 0.00 2.15 -0.17 -0.87 116.67 117.00 2g18 s ASP 116 Ca -0.00 -0.23 -0.04 0.00 0.43 0.00 0.00 52.55 52.72 2g18 s ASP 116 Cb -0.01 0.47 0.16 0.00 -0.30 0.00 0.00 42.92 43.24 2g18 s ASP 116 CO 0.00 -0.82 0.42 -0.76 -0.17 0.00 0.00 175.17 173.84 2g18 s LEU 117 N -2.63 5.33 0.14 -1.34 1.43 -1.26 -1.51 118.68 118.84 2g18 s LEU 117 Ca 0.01 -2.70 -0.28 0.00 -1.03 0.00 0.00 54.13 50.12 2g18 s LEU 117 Cb 0.01 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.29 2g18 s LEU 117 CO -0.10 -0.41 0.89 -0.44 0.23 0.00 0.00 176.35 176.51 2g18 s SER 118 N 0.98 7.46 0.46 2.29 0.01 0.23 -4.38 113.70 120.75 2g18 s SER 118 Ca 0.15 1.74 -0.23 0.00 1.31 0.00 0.00 55.95 58.92 2g18 s SER 118 Cb -0.20 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.40 2g18 s SER 118 CO -0.04 0.06 1.15 -2.16 0.41 0.00 0.00 173.24 172.66 2g18 s PRO 119 N -0.51 3.79 -0.01 12.44 0.04 -1.26 -0.95 135.00 148.54 2g18 s PRO 119 Ca 0.42 1.74 0.22 0.00 0.04 0.00 0.00 61.00 63.42 2g18 s PRO 119 Cb -0.23 -2.41 -0.29 0.00 0.04 0.00 0.00 34.50 31.61 2g18 s PRO 119 CO 0.28 -0.52 0.61 1.33 0.04 0.00 0.00 177.00 178.75 2g18 n VAL 120 N -0.47 0.03 -2.03 -0.36 0.24 -1.26 -4.82 118.33 109.66 2g18 n VAL 120 Ca 0.07 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.34 61.59 2g18 n VAL 120 Cb 0.48 0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.06 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 -3.39 2.87 0.35 6.34 3.76 -1.26 -3.75 115.29 120.21 2g18 s HIS 121 Ca -0.04 1.36 0.05 0.00 -0.15 0.00 0.00 55.06 56.29 2g18 s HIS 121 Cb 0.14 -3.75 0.64 0.00 1.11 0.00 0.00 32.58 30.72 2g18 s HIS 121 CO 0.89 -2.18 1.88 -0.07 -0.85 0.00 0.00 174.74 174.41 2g18 h LEU 122 N 3.06 0.45 0.00 0.89 3.38 -1.92 0.10 115.31 121.27 2g18 h LEU 122 Ca -0.50 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2g18 h LEU 122 Cb 1.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2g18 h LEU 122 CO 0.64 0.53 0.00 -0.90 0.09 0.00 0.00 178.44 178.80 2g18 n ASP 123 N -4.28 0.00 -1.62 -0.43 5.68 -1.26 -4.88 116.55 109.76 2g18 n ASP 123 Ca 0.01 -1.16 -0.18 0.00 -0.50 0.00 0.00 54.79 52.96 2g18 n ASP 123 Cb 0.25 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.17 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 -0.73 -1.32 -3.16 0.11 1.74 0.02 -5.00 116.66 108.32 2g18 n ARG 124 Ca 0.08 1.05 -0.36 0.00 -0.77 0.00 0.00 57.85 57.86 2g18 n ARG 124 Cb 0.04 -5.40 -0.06 0.00 -1.02 0.00 0.00 32.46 26.02 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 -2.75 4.63 0.41 0.55 -4.23 -1.26 -4.77 115.64 108.22 2g18 s THR 125 Ca 0.00 1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 61.61 2g18 s THR 125 Cb 0.00 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 2g18 s THR 125 CO 0.00 0.23 0.77 -0.76 -0.54 0.00 0.00 174.62 174.32 2g18 s LEU 126 N -1.92 3.80 0.71 4.79 1.43 -1.26 -4.12 118.68 122.11 2g18 s LEU 126 Ca 0.41 1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 54.45 2g18 s LEU 126 Cb -0.17 -3.99 0.03 0.00 0.03 0.00 0.00 46.19 42.09 2g18 s LEU 126 CO 0.21 -0.42 1.21 -2.84 0.23 0.00 0.00 176.35 174.73 2g18 s PRO 127 N -3.97 2.28 0.28 1.29 0.02 -1.26 -4.78 135.00 128.86 2g18 s PRO 127 Ca 0.51 1.76 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 2g18 s PRO 127 Cb -0.10 -1.85 0.41 0.00 0.02 0.00 0.00 34.50 32.98 2g18 s PRO 127 CO 0.33 -1.73 1.85 1.49 -0.33 0.00 0.00 177.00 178.61 2g18 h GLU 128 N -0.12 0.87 -1.00 5.54 4.57 -1.99 -1.17 114.58 121.28 2g18 h GLU 128 Ca -0.48 -0.15 0.10 0.00 -1.18 0.00 0.00 59.36 57.65 2g18 h GLU 128 Cb 1.30 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 29.66 2g18 h GLU 128 CO 0.51 0.74 0.63 0.66 -1.18 0.00 0.00 179.01 180.37 2g18 h SER 129 N 0.85 0.96 -0.31 1.04 4.64 -2.00 -1.54 113.55 117.19 2g18 h SER 129 Ca 0.20 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 2g18 h SER 129 Cb 0.22 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2g18 h SER 129 CO -0.01 0.55 -0.03 1.88 -0.87 0.00 0.00 176.83 178.35 2g18 h TYR 130 N 1.05 0.63 -0.37 4.77 -1.99 -1.59 -2.25 116.97 117.23 2g18 h TYR 130 Ca 0.47 -0.12 0.06 0.00 2.00 0.00 0.00 58.73 61.14 2g18 h TYR 130 Cb 0.37 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 38.89 2g18 h TYR 130 CO -0.01 0.72 0.05 -0.91 -0.00 0.00 0.00 178.16 178.01 2g18 h ASN 131 N 0.35 -0.04 -0.13 3.88 2.35 -0.89 0.35 115.58 121.46 2g18 h ASN 131 Ca 0.08 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2g18 h ASN 131 Cb 0.49 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2g18 h ASN 131 CO 0.02 0.01 0.08 0.28 -1.65 0.00 0.00 177.43 176.17 2g18 h SER 132 N 0.16 0.16 -0.84 5.81 0.02 -1.29 -1.23 113.55 116.34 2g18 h SER 132 Ca 0.18 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2g18 h SER 132 Cb 0.22 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 2g18 h SER 132 CO -0.26 0.18 0.50 0.00 -1.14 0.00 0.00 176.83 176.11 2g18 h ALA 133 N 0.99 1.08 0.14 3.77 0.00 -1.12 -2.67 119.26 121.44 2g18 h ALA 133 Ca 0.05 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 2g18 h ALA 133 Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2g18 h ALA 133 CO -0.01 0.55 -1.38 -0.07 0.00 0.00 0.00 179.25 178.34 2g18 h LEU 134 N 1.16 0.46 -0.92 0.00 3.38 -0.72 -3.13 115.31 115.55 2g18 h LEU 134 Ca 0.30 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2g18 h LEU 134 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2g18 h LEU 134 CO -0.06 1.44 -0.27 0.71 0.09 0.00 0.00 178.44 180.35 2g18 h THR 135 N 0.08 0.62 -0.41 0.22 1.35 -1.25 -2.46 112.91 111.06 2g18 h THR 135 Ca -0.19 -1.30 0.12 0.00 -0.55 0.00 0.00 66.41 64.49 2g18 h THR 135 Cb 2.01 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 70.29 2g18 h THR 135 CO 0.20 0.27 0.31 0.28 -0.25 0.00 0.00 175.52 176.32 2g18 h SER 136 N 0.00 0.00 -4.14 5.36 0.02 -1.41 -3.44 113.55 109.94 2g18 h SER 136 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 2g18 h SER 136 Cb 0.85 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.53 2g18 h SER 136 CO 0.04 0.00 0.44 -0.76 -1.14 0.00 0.00 176.83 175.40 2g18 s LEU 137 N -8.71 3.49 0.47 5.07 1.43 -0.93 -4.97 118.68 114.54 2g18 s LEU 137 Ca -0.05 2.37 -0.23 0.00 -1.03 0.00 0.00 54.13 55.19 2g18 s LEU 137 Cb 0.19 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 2g18 s LEU 137 CO 0.71 -1.92 1.22 0.20 0.23 0.00 0.00 176.35 176.79 2g18 s ASN 138 N -1.84 6.01 -0.03 2.29 0.01 -1.26 -5.01 114.94 115.11 2g18 s ASN 138 Ca 0.76 2.43 -0.30 0.00 -0.71 0.00 0.00 52.86 55.04 2g18 s ASN 138 Cb -0.30 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.70 2g18 s ASN 138 CO 0.40 -1.04 1.41 -0.89 -1.51 0.00 0.00 177.10 175.47 2g18 s THR 139 N -1.46 3.79 -0.20 1.60 2.01 -1.26 -5.01 115.64 115.10 2g18 s THR 139 Ca 0.64 1.12 -0.09 0.00 0.31 0.00 0.00 61.69 63.67 2g18 s THR 139 Cb -0.32 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2g18 s THR 139 CO 0.39 -0.03 0.10 -0.76 -0.69 0.00 0.00 174.62 173.64 2g18 s LEU 140 N 2.74 4.02 -0.86 4.42 1.43 -1.26 -5.03 118.68 124.13 2g18 s LEU 140 Ca 0.64 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.70 2g18 s LEU 140 Cb -0.30 -2.04 0.14 0.00 0.03 0.00 0.00 46.19 44.03 2g18 s LEU 140 CO 0.25 0.16 1.01 0.20 0.23 0.00 0.00 176.35 178.20 2g18 s ASN 141 N 0.47 6.59 0.35 2.29 0.01 -1.26 -5.02 114.94 118.37 2g18 s ASN 141 Ca 0.06 -2.07 -0.10 0.00 -0.71 0.00 0.00 52.86 50.04 2g18 s ASN 141 Cb -0.12 -2.35 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 2g18 s ASN 141 CO -0.00 -0.99 0.70 -0.36 -1.51 0.00 0.00 177.10 174.94 2g18 s PHE 142 N 2.24 3.45 -0.59 2.20 0.40 -1.26 -5.00 117.98 119.42 2g18 s PHE 142 Ca 0.27 1.00 0.19 0.00 -0.60 0.00 0.00 56.93 57.79 2g18 s PHE 142 Cb -0.08 -2.39 -0.24 0.00 0.51 0.00 0.00 43.02 40.82 2g18 s PHE 142 CO -0.07 0.02 0.67 -1.13 0.70 0.00 0.00 175.22 175.41 2g18 n SER 143 N -0.92 0.77 -3.29 1.36 3.41 -1.26 -4.55 113.62 109.13 2g18 n SER 143 Ca 0.02 -0.61 -0.25 0.00 -0.26 0.00 0.00 58.87 57.76 2g18 n SER 143 Cb 0.54 1.32 -0.08 0.00 -0.26 0.00 0.00 64.21 65.73 2g18 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g18 n GLN 144 N -1.71 1.28 -1.23 4.33 1.13 -1.26 -5.11 117.38 114.81 2g18 n GLN 144 Ca 0.01 -3.71 -0.31 0.00 -1.94 0.00 0.00 57.00 51.06 2g18 n GLN 144 Cb 0.37 -1.59 0.11 0.00 0.11 0.00 0.00 30.24 29.24 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 -1.52 1.87 0.22 -1.09 0.04 -1.26 -1.42 135.00 131.83 2g18 s PRO 145 Ca 0.36 1.04 0.12 0.00 0.04 0.00 0.00 61.00 62.56 2g18 s PRO 145 Cb 0.15 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 2g18 s PRO 145 CO -0.09 -1.88 -0.23 1.03 0.04 0.00 0.00 177.00 175.88 2g18 s ARG 146 N -4.91 1.56 -0.03 4.56 0.52 0.40 -4.81 118.95 116.24 2g18 s ARG 146 Ca 0.62 -1.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.04 2g18 s ARG 146 Cb -0.17 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 2g18 s ARG 146 CO 0.56 0.38 0.60 -2.00 0.02 0.00 0.00 175.30 174.86 2g18 s GLU 147 N -2.89 4.33 0.88 3.54 2.12 -1.26 -4.82 118.70 120.61 2g18 s GLU 147 Ca 0.23 0.72 -0.12 0.00 0.36 0.00 0.00 54.97 56.16 2g18 s GLU 147 Cb -0.07 -3.37 0.12 0.00 0.26 0.00 0.00 34.13 31.07 2g18 s GLU 147 CO 0.11 0.30 1.14 -0.51 -0.54 0.00 0.00 175.26 175.76 2g18 s LEU 148 N 0.03 2.15 0.49 2.70 1.43 -1.26 -5.08 118.68 119.14 2g18 s LEU 148 Ca 0.31 0.97 0.07 0.00 -1.03 0.00 0.00 54.13 54.46 2g18 s LEU 148 Cb -0.18 -3.35 0.04 0.00 0.03 0.00 0.00 46.19 42.73 2g18 s LEU 148 CO 0.17 -2.39 0.67 -2.16 0.23 0.00 0.00 176.35 172.87 2g18 s PRO 149 N -5.31 2.62 0.12 1.29 0.05 -1.26 -4.88 135.00 127.63 2g18 s PRO 149 Ca 0.63 -1.29 0.09 0.00 0.05 0.00 0.00 61.00 60.48 2g18 s PRO 149 Cb -0.14 -2.68 0.48 0.00 0.05 0.00 0.00 34.50 32.21 2g18 s PRO 149 CO 0.53 -0.52 1.28 -1.91 0.05 0.00 0.00 177.00 176.43 2g18 n GLU 150 N -2.04 0.06 0.02 4.56 4.07 -1.26 0.26 120.64 126.30 2g18 n GLU 150 Ca 0.10 0.53 0.13 0.00 -0.06 0.00 0.00 57.16 57.86 2g18 n GLU 150 Cb 0.60 -1.67 0.33 0.00 -0.06 0.00 0.00 31.44 30.64 2g18 n GLU 150 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 2g18 n TRP 151 N -1.79 0.19 0.00 4.31 4.27 -1.26 -3.54 117.44 119.62 2g18 n TRP 151 Ca -0.00 0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.66 2g18 n TRP 151 Cb 0.03 -0.45 0.00 0.00 -1.36 0.00 0.00 31.31 29.53 2g18 n TRP 151 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2g18 n GLY 152 N 1.45 0.00 0.00 -1.67 0.00 0.73 0.96 105.19 106.66 2g18 n GLY 152 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.47 0.00 -0.01 1.61 0.23 -1.23 -3.02 115.26 112.37 2g18 n ASN 153 Ca 0.00 0.21 0.10 0.00 -0.53 0.00 0.00 54.58 54.36 2g18 n ASN 153 Cb 0.00 -0.35 -0.15 0.00 -2.08 0.00 0.00 39.78 37.20 2g18 n ASN 153 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2g18 n ILE 154 N -1.35 0.00 -3.34 1.53 -5.35 0.27 -4.96 119.36 106.16 2g18 n ILE 154 Ca 0.06 -0.38 -0.34 0.00 -0.27 0.00 0.00 62.75 61.82 2g18 n ILE 154 Cb 0.13 0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.21 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 -3.31 3.53 0.99 4.28 0.40 -1.17 -4.00 117.98 118.72 2g18 s PHE 155 Ca -0.04 1.04 -0.15 0.00 -0.60 0.00 0.00 56.93 57.17 2g18 s PHE 155 Cb 0.13 -2.37 0.19 0.00 0.51 0.00 0.00 43.02 41.49 2g18 s PHE 155 CO 0.84 0.34 1.21 -1.54 0.70 0.00 0.00 175.22 176.77 2g18 s SER 156 N -1.96 2.82 0.05 1.36 1.04 -1.26 -4.89 113.70 110.87 2g18 s SER 156 Ca 0.43 0.60 0.20 0.00 0.48 0.00 0.00 55.95 57.65 2g18 s SER 156 Cb -0.14 -0.88 0.82 0.00 0.10 0.00 0.00 66.02 65.92 2g18 s SER 156 CO 0.20 -2.94 1.62 0.47 0.98 0.00 0.00 173.24 173.56 2g18 n ASP 157 N -3.97 0.15 -0.71 7.02 8.00 -1.26 -2.55 116.55 123.24 2g18 n ASP 157 Ca 0.12 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.27 2g18 n ASP 157 Cb 0.60 -0.56 0.34 0.00 -0.02 0.00 0.00 41.12 41.47 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 -1.66 0.10 -1.74 1.24 3.01 -1.26 -4.98 117.46 112.17 2g18 n PHE 158 Ca 0.04 -0.05 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 2g18 n PHE 158 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 -1.13 2.46 -0.24 0.00 1.01 -0.05 -4.99 121.20 118.26 2g18 s ILE 160 Ca 0.56 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 2g18 s ILE 160 Cb -0.51 -2.05 0.08 0.00 0.01 0.00 0.00 42.46 39.99 2g18 s ILE 160 CO 0.62 0.51 0.09 0.12 0.00 0.00 0.00 174.94 176.28 2g18 s PHE 161 N 1.16 0.68 0.11 3.97 5.36 -1.26 -0.89 117.98 127.12 2g18 s PHE 161 Ca 0.01 -0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 55.11 2g18 s PHE 161 Cb -0.14 -1.01 -0.04 0.00 -0.34 0.00 0.00 43.02 41.49 2g18 s PHE 161 CO -0.07 -0.70 0.04 0.14 -1.46 0.00 0.00 175.22 173.18 2g18 s VAL 162 N 1.97 0.13 -0.38 3.12 -7.23 -0.29 -0.46 120.40 117.27 2g18 s VAL 162 Ca 0.05 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 2g18 s VAL 162 Cb -0.16 -1.92 0.06 0.00 0.56 0.00 0.00 36.38 34.91 2g18 s VAL 162 CO -0.20 -0.58 0.18 -0.60 -0.31 0.00 0.00 175.10 173.59 2g18 s ARG 163 N -4.02 2.56 -0.01 4.82 3.52 -0.51 -0.73 118.95 124.59 2g18 s ARG 163 Ca 0.20 -1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.14 2g18 s ARG 163 Cb 0.07 -3.62 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 2g18 s ARG 163 CO -0.01 -0.83 1.46 -2.14 -0.81 0.00 0.00 175.30 172.97 2g18 s PRO 164 N 1.39 4.25 -0.08 5.12 0.02 -1.26 -4.44 135.00 140.01 2g18 s PRO 164 Ca 0.01 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.07 2g18 s PRO 164 Cb -0.21 -3.64 -0.25 0.00 0.02 0.00 0.00 34.50 30.42 2g18 s PRO 164 CO 0.02 -0.64 0.52 0.66 -0.33 0.00 0.00 177.00 177.24 2g18 h SER 165 N 8.13 0.26 -1.86 2.53 4.64 -1.94 -3.44 113.55 121.86 2g18 h SER 165 Ca -0.38 -0.56 -0.62 0.00 -0.47 0.00 0.00 61.79 59.76 2g18 h SER 165 Cb 1.18 -0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 63.05 2g18 h SER 165 CO 0.92 1.50 -0.66 -0.94 -0.87 0.00 0.00 176.83 176.78 2g18 s SER 166 N -6.68 3.79 0.50 4.97 1.04 -1.26 -5.02 113.70 111.04 2g18 s SER 166 Ca -0.14 -1.24 0.33 0.00 0.48 0.00 0.00 55.95 55.38 2g18 s SER 166 Cb 0.07 -0.37 1.54 0.00 0.10 0.00 0.00 66.02 67.36 2g18 s SER 166 CO 0.80 -0.27 2.00 -0.65 0.98 0.00 0.00 173.24 176.10 2g18 h PRO 167 N 1.95 0.00 -0.41 4.02 0.11 -1.99 -2.27 132.00 133.41 2g18 h PRO 167 Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 2g18 h PRO 167 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2g18 h PRO 167 CO 0.73 0.00 -0.23 0.93 -0.21 0.00 0.00 178.00 179.22 2g18 h GLU 168 N 0.00 0.88 -0.38 1.05 3.07 -1.99 -2.23 114.58 114.99 2g18 h GLU 168 Ca 0.00 -0.40 -0.13 0.00 -0.50 0.00 0.00 59.36 58.33 2g18 h GLU 168 Cb 0.31 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2g18 h GLU 168 CO 0.00 1.05 -0.28 0.93 -1.40 0.00 0.00 179.01 179.30 2g18 h GLU 169 N 0.70 0.81 -0.80 2.33 5.08 -1.85 -0.09 114.58 120.76 2g18 h GLU 169 Ca 0.09 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2g18 h GLU 169 Cb 0.80 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 2g18 h GLU 169 CO 0.07 0.99 0.51 0.93 -1.00 0.00 0.00 179.01 180.50 2g18 h GLU 170 N 0.69 0.94 -0.15 2.33 5.08 -1.41 0.15 114.58 122.21 2g18 h GLU 170 Ca 0.08 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2g18 h GLU 170 Cb 0.82 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2g18 h GLU 170 CO 0.07 0.63 -0.51 0.00 -1.00 0.00 0.00 179.01 178.19 2g18 h ALA 171 N 1.35 0.84 -0.39 3.43 0.00 -1.07 -1.40 119.26 122.02 2g18 h ALA 171 Ca 0.33 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2g18 h ALA 171 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2g18 h ALA 171 CO -0.13 0.67 0.12 0.52 0.00 0.00 0.00 179.25 180.44 2g18 h MET 172 N 0.33 0.61 -0.11 0.00 2.86 -0.23 -1.14 114.93 117.24 2g18 h MET 172 Ca 0.01 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2g18 h MET 172 Cb 1.01 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 2g18 h MET 172 CO 0.09 0.61 0.05 0.35 1.06 0.00 0.00 176.91 179.07 2g18 h PHE 173 N 0.49 0.17 -0.79 -0.22 3.57 -0.61 -1.29 116.94 118.26 2g18 h PHE 173 Ca 0.13 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2g18 h PHE 173 Cb 0.26 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 2g18 h PHE 173 CO 0.01 0.25 0.49 1.25 -2.23 0.00 0.00 178.31 178.08 2g18 h LEU 174 N 0.03 0.77 -0.92 0.59 5.85 -1.21 -1.25 115.31 119.18 2g18 h LEU 174 Ca 0.04 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2g18 h LEU 174 Cb 0.15 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2g18 h LEU 174 CO -0.00 0.51 0.46 1.23 -0.34 0.00 0.00 178.44 180.29 2g18 h GLY 175 N 0.91 1.31 1.28 3.75 0.00 -0.97 -1.72 103.07 107.63 2g18 h GLY 175 Ca 0.34 -0.61 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 2g18 h GLY 175 CO -0.15 0.59 -0.64 -0.09 0.00 0.00 0.00 176.54 176.25 2g18 h ARG 176 N 1.22 0.74 -0.73 4.80 9.65 -0.58 -1.54 114.38 127.94 2g18 h ARG 176 Ca 0.30 -0.52 0.02 0.00 -1.10 0.00 0.00 59.98 58.69 2g18 h ARG 176 Cb 0.06 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 2g18 h ARG 176 CO -0.05 1.14 0.47 0.28 2.80 0.00 0.00 179.97 184.61 2g18 h VAL 177 N 0.54 1.14 -0.58 0.20 2.07 -1.05 -0.97 116.25 117.60 2g18 h VAL 177 Ca -0.01 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2g18 h VAL 177 Cb 1.23 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2g18 h VAL 177 CO 0.13 0.17 0.31 -0.09 0.02 0.00 0.00 177.57 178.11 2g18 h ARG 178 N 0.94 0.82 -0.93 1.57 2.43 -1.10 -0.17 114.38 117.94 2g18 h ARG 178 Ca 0.28 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2g18 h ARG 178 Cb -0.05 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 2g18 h ARG 178 CO -0.08 0.64 0.61 0.93 -1.51 0.00 0.00 179.97 180.55 2g18 h GLU 179 N 0.79 1.24 -0.20 0.20 5.08 -0.88 -0.59 114.58 120.21 2g18 h GLU 179 Ca 0.20 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2g18 h GLU 179 Cb 0.07 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2g18 h GLU 179 CO -0.03 0.83 0.10 0.74 -1.00 0.00 0.00 179.01 179.65 2g18 h PHE 180 N 1.27 0.18 -0.85 4.33 0.04 -0.39 -2.13 116.94 119.39 2g18 h PHE 180 Ca 0.34 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.09 2g18 h PHE 180 Cb -0.13 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 2g18 h PHE 180 CO -0.00 0.10 0.42 -0.07 -0.60 0.00 0.00 178.31 178.16 2g18 h LEU 181 N 0.21 1.10 -0.44 1.54 3.38 -0.49 -0.41 115.31 120.20 2g18 h LEU 181 Ca 0.08 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2g18 h LEU 181 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2g18 h LEU 181 CO -0.06 0.92 0.04 1.56 0.09 0.00 0.00 178.44 180.99 2g18 h GLN 182 N 1.21 0.75 -0.66 1.13 4.20 -0.95 0.14 115.11 120.92 2g18 h GLN 182 Ca 0.29 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2g18 h GLN 182 Cb 0.10 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2g18 h GLN 182 CO -0.04 0.80 0.30 0.28 -0.67 0.00 0.00 178.83 179.50 2g18 h VAL 183 N 0.60 1.23 -0.55 -0.54 2.07 -1.16 -1.51 116.25 116.38 2g18 h VAL 183 Ca 0.13 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 2g18 h VAL 183 Cb 0.43 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2g18 h VAL 183 CO 0.02 0.27 -0.08 -0.74 0.02 0.00 0.00 177.57 177.06 2g18 h HIS 184 N 0.92 1.15 -0.26 1.57 -0.00 -0.64 -0.07 115.15 117.83 2g18 h HIS 184 Ca 0.22 -0.23 -0.15 0.00 -0.00 0.00 0.00 60.37 60.21 2g18 h HIS 184 Cb 0.15 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2g18 h HIS 184 CO 0.01 1.05 -0.46 0.00 -0.00 0.00 0.00 177.93 178.53 2g18 h GLN 186 N 0.53 0.68 -0.68 0.00 4.20 -1.15 -1.11 115.11 117.59 2g18 h GLN 186 Ca 0.03 -0.12 0.09 0.00 0.06 0.00 0.00 58.65 58.71 2g18 h GLN 186 Cb 1.00 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.60 2g18 h GLN 186 CO 0.09 0.62 0.32 0.78 -0.67 0.00 0.00 178.83 179.97 2g18 h GLY 187 N 0.60 1.00 0.98 3.46 0.00 -0.69 -2.17 103.07 106.24 2g18 h GLY 187 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 2g18 h GLY 187 CO -0.01 0.05 0.09 0.00 0.00 0.00 0.00 176.54 176.67 2g18 h ALA 188 N 1.42 0.64 -0.01 3.60 0.00 -0.50 -2.56 119.26 121.86 2g18 h ALA 188 Ca 0.33 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2g18 h ALA 188 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2g18 h ALA 188 CO -0.27 0.36 -0.58 0.82 0.00 0.00 0.00 179.25 179.58 2g18 h ILE 189 N 0.67 1.42 -0.00 0.00 2.04 -0.99 -2.61 117.51 118.04 2g18 h ILE 189 Ca 0.15 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 64.02 2g18 h ILE 189 Cb 0.37 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2g18 h ILE 189 CO 0.01 0.57 -0.22 0.00 0.00 0.00 0.00 178.15 178.50 2g18 n ALA 190 N -2.43 2.89 -1.77 1.87 0.00 -0.84 -4.93 120.51 115.31 2g18 n ALA 190 Ca -0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 2g18 n ALA 190 Cb 0.59 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 2g18 n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g18 s ALA 191 N -2.95 3.31 -0.09 0.00 0.00 -0.98 -5.06 121.76 116.01 2g18 s ALA 191 Ca 0.14 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 2g18 s ALA 191 Cb 0.18 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2g18 s ALA 191 CO 0.60 0.21 -0.03 -1.12 0.00 0.00 0.00 175.76 175.41 2g18 s SER 192 N -1.29 4.93 0.95 0.00 0.01 -1.26 -5.05 113.70 111.99 2g18 s SER 192 Ca 0.43 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.62 2g18 s SER 192 Cb -0.24 -1.38 0.16 0.00 0.21 0.00 0.00 66.02 64.77 2g18 s SER 192 CO 0.30 0.34 1.09 -2.84 0.41 0.00 0.00 173.24 172.55 2g18 s PRO 193 N -0.68 0.81 0.10 12.44 0.02 -1.26 -4.69 135.00 141.75 2g18 s PRO 193 Ca 0.11 1.11 0.03 0.00 0.02 0.00 0.00 61.00 62.26 2g18 s PRO 193 Cb -0.12 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 2g18 s PRO 193 CO 0.02 -2.63 -0.08 0.14 -0.33 0.00 0.00 177.00 174.12 2g18 s VAL 194 N -2.73 0.82 0.00 3.83 -7.23 1.00 -4.95 120.40 111.14 2g18 s VAL 194 Ca 0.65 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2g18 s VAL 194 Cb -0.21 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2g18 s VAL 194 CO 0.59 -0.76 0.00 -0.24 -0.31 0.00 0.00 175.10 174.38 2g18 n SER 195 N 0.14 0.91 0.00 4.85 2.88 -1.26 -4.55 113.62 116.60 2g18 n SER 195 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2g18 n SER 195 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2g18 n SER 195 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2g18 n ALA 196 N -3.00 0.00 0.17 -1.46 0.00 -1.26 -2.41 120.51 112.56 2g18 n ALA 196 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2g18 n ALA 196 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 2g18 n ALA 196 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2g18 h GLU 197 N 0.00 0.00 -0.45 0.00 4.11 -1.99 -2.90 114.58 113.36 2g18 h GLU 197 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 2g18 h GLU 197 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2g18 h GLU 197 CO 0.00 0.37 -0.26 1.96 0.07 0.00 0.00 179.01 181.15 2g18 h GLN 198 N 0.00 0.96 -0.32 1.06 7.50 -1.95 -0.48 115.11 121.88 2g18 h GLN 198 Ca -0.00 -0.43 -0.12 0.00 0.50 0.00 0.00 58.65 58.59 2g18 h GLN 198 Cb 1.13 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.64 2g18 h GLN 198 CO 0.05 1.10 -0.28 -0.22 -1.50 0.00 0.00 178.83 177.97 2g18 h LYS 199 N 0.81 0.75 -0.76 1.46 3.64 -1.39 -1.67 116.57 119.42 2g18 h LYS 199 Ca 0.10 -0.38 0.12 0.00 -1.27 0.00 0.00 60.65 59.21 2g18 h LYS 199 Cb 0.84 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.58 2g18 h LYS 199 CO 0.07 1.01 0.35 1.96 -2.27 0.00 0.00 179.45 180.57 2g18 h GLN 200 N 0.52 0.53 -0.83 1.90 1.08 -1.43 -0.71 115.11 116.17 2g18 h GLN 200 Ca 0.06 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2g18 h GLN 200 Cb 0.85 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 2g18 h GLN 200 CO 0.07 0.35 0.43 0.37 -0.95 0.00 0.00 178.83 179.10 2g18 h GLN 201 N 0.55 1.18 -0.73 1.46 4.15 -0.65 -0.65 115.11 120.41 2g18 h GLN 201 Ca 0.40 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 2g18 h GLN 201 Cb 0.52 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2g18 h GLN 201 CO -0.34 0.89 0.25 0.82 -1.93 0.00 0.00 178.83 178.51 2g18 h ILE 202 N 1.17 1.26 -0.52 2.39 2.04 -0.32 0.61 117.51 124.14 2g18 h ILE 202 Ca 0.29 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2g18 h ILE 202 Cb 0.07 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2g18 h ILE 202 CO -0.04 0.34 0.26 0.25 0.00 0.00 0.00 178.15 178.96 2g18 h LEU 203 N 1.08 0.66 -0.32 1.44 5.85 -0.72 0.42 115.31 123.72 2g18 h LEU 203 Ca 0.24 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 2g18 h LEU 203 Cb 0.27 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2g18 h LEU 203 CO -0.01 0.59 -0.18 0.00 -0.34 0.00 0.00 178.44 178.50 2g18 h ALA 204 N 1.10 0.46 -0.25 1.25 0.00 0.23 0.93 119.26 122.97 2g18 h ALA 204 Ca 0.18 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2g18 h ALA 204 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2g18 h ALA 204 CO -0.03 0.38 -0.05 0.78 0.00 0.00 0.00 179.25 180.33 2g18 h GLY 205 N 0.45 0.52 1.45 0.00 0.00 0.62 0.78 103.07 106.88 2g18 h GLY 205 Ca 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2g18 h GLY 205 CO 0.05 0.39 0.02 1.46 0.00 0.00 0.00 176.54 178.46 2g18 h GLN 206 N 0.23 0.69 -0.56 4.80 4.20 -0.14 -1.17 115.11 123.15 2g18 h GLN 206 Ca 0.07 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 2g18 h GLN 206 Cb 0.51 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2g18 h GLN 206 CO 0.02 0.69 0.10 1.25 -0.67 0.00 0.00 178.83 180.22 2g18 h HIS 207 N 0.65 0.98 -0.68 2.96 2.76 -0.38 -0.32 115.15 121.12 2g18 h HIS 207 Ca 0.13 -0.13 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2g18 h HIS 207 Cb 0.38 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 2g18 h HIS 207 CO 0.02 0.86 0.18 -0.97 -1.30 0.00 0.00 177.93 176.72 2g18 h ASN 208 N 0.81 1.01 -0.33 3.26 -0.73 -0.44 -0.70 115.58 118.46 2g18 h ASN 208 Ca 0.17 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 2g18 h ASN 208 Cb 0.40 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 2g18 h ASN 208 CO 0.01 0.97 0.06 0.22 -0.37 0.00 0.00 177.43 178.31 2g18 h TYR 209 N 1.00 0.58 -0.44 0.67 3.20 -0.93 -1.98 116.97 119.07 2g18 h TYR 209 Ca 0.21 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2g18 h TYR 209 Cb 0.34 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2g18 h TYR 209 CO 0.03 0.62 0.02 0.00 -1.64 0.00 0.00 178.16 177.18 2g18 h SER 211 N 0.62 0.93 -0.56 0.00 4.64 -1.09 0.20 113.55 118.29 2g18 h SER 211 Ca 0.13 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 2g18 h SER 211 Cb 0.47 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2g18 h SER 211 CO 0.02 1.04 0.10 0.11 -0.87 0.00 0.00 176.83 177.23 2g18 h LYS 212 N 0.84 0.93 -0.60 4.77 1.79 -1.30 -0.63 116.57 122.38 2g18 h LYS 212 Ca 0.14 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2g18 h LYS 212 Cb 0.62 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 2g18 h LYS 212 CO 0.04 0.89 0.24 1.96 -1.08 0.00 0.00 179.45 181.50 2g18 h GLN 213 N 0.83 0.89 -0.14 3.15 1.08 -0.99 -2.17 115.11 117.76 2g18 h GLN 213 Ca 0.17 -0.16 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 2g18 h GLN 213 Cb 0.40 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 2g18 h GLN 213 CO 0.01 0.75 -0.06 1.96 -0.95 0.00 0.00 178.83 180.54 2g18 h GLN 214 N 0.82 -0.04 0.00 1.46 4.20 -0.38 0.28 115.11 121.45 2g18 h GLN 214 Ca 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2g18 h GLN 214 Cb 0.19 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2g18 h GLN 214 CO -0.02 -0.03 -0.06 1.96 -0.67 0.00 0.00 178.83 180.01 2g18 h GLN 215 N -0.04 0.00 0.00 1.46 4.20 -0.96 -3.34 115.11 116.43 2g18 h GLN 215 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2g18 h GLN 215 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2g18 h GLN 215 CO -0.17 0.06 -0.55 0.09 -0.67 0.00 0.00 178.83 177.60 2g18 n ASN 216 N -3.72 2.74 -4.71 1.46 3.02 -0.83 -5.04 115.26 108.19 2g18 n ASN 216 Ca -0.02 -0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.07 2g18 n ASN 216 Cb 0.17 0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.91 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 -0.87 3.29 0.09 6.41 -0.08 0.97 -4.91 116.55 121.46 2g18 n ASP 217 Ca 0.00 1.14 0.12 0.00 -1.51 0.00 0.00 54.79 54.54 2g18 n ASP 217 Cb 0.00 -1.51 0.22 0.00 2.34 0.00 0.00 41.12 42.17 2g18 n ASP 217 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2g18 h LYS 218 N 4.53 0.00 -0.03 -0.67 1.57 -1.94 -3.23 116.57 116.79 2g18 h LYS 218 Ca -0.46 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2g18 h LYS 218 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2g18 h LYS 218 CO 0.78 0.00 0.04 1.79 -0.57 0.00 0.00 179.45 181.48 2g18 h THR 219 N 0.00 0.50 -0.90 -0.16 1.35 -1.99 -2.66 112.91 109.05 2g18 h THR 219 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.98 2g18 h THR 219 Cb 0.80 0.97 -0.13 0.00 -1.73 0.00 0.00 68.15 68.05 2g18 h THR 219 CO 0.00 0.00 -0.47 -0.09 -0.25 0.00 0.00 175.52 174.71 2g18 h ARG 220 N 0.00 -0.05 -0.55 4.72 2.43 -1.94 -0.99 114.38 118.00 2g18 h ARG 220 Ca 0.01 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2g18 h ARG 220 Cb 0.09 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 2g18 h ARG 220 CO -0.00 -0.03 0.17 -0.09 -1.51 0.00 0.00 179.97 178.51 2g18 h ARG 221 N -0.05 0.33 -0.56 0.20 2.43 -1.75 0.22 114.38 115.20 2g18 h ARG 221 Ca 0.25 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2g18 h ARG 221 Cb 0.53 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2g18 h ARG 221 CO -0.91 0.22 0.34 0.28 -1.51 0.00 0.00 179.97 178.39 2g18 h VAL 222 N 0.34 1.07 -0.33 0.20 2.07 -1.56 -2.19 116.25 115.85 2g18 h VAL 222 Ca 0.27 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.41 2g18 h VAL 222 Cb 0.34 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2g18 h VAL 222 CO -0.30 0.12 -0.41 -0.07 0.02 0.00 0.00 177.57 176.93 2g18 h LEU 223 N 0.68 0.86 -0.69 2.57 3.38 0.37 -2.41 115.31 120.07 2g18 h LEU 223 Ca 0.22 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2g18 h LEU 223 Cb 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2g18 h LEU 223 CO -0.09 1.16 0.44 -0.33 0.09 0.00 0.00 178.44 179.71 2g18 h GLU 224 N 0.65 0.85 -0.00 1.13 5.08 -0.50 0.12 114.58 121.91 2g18 h GLU 224 Ca 0.05 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2g18 h GLU 224 Cb 0.98 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2g18 h GLU 224 CO 0.09 0.56 -0.33 0.87 -1.00 0.00 0.00 179.01 179.20 2g18 h LYS 225 N 0.87 0.01 0.25 2.33 1.57 -1.26 0.29 116.57 120.63 2g18 h LYS 225 Ca 0.27 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.71 2g18 h LYS 225 Cb -0.02 -0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.33 2g18 h LYS 225 CO -0.09 0.34 -1.51 0.00 -0.57 0.00 0.00 179.45 177.62 2g18 h ALA 226 N 1.66 -0.12 0.00 3.86 0.00 -0.83 -3.43 119.26 120.40 2g18 h ALA 226 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2g18 h ALA 226 Cb 0.59 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2g18 h ALA 226 CO 0.04 0.73 0.00 1.19 0.00 0.00 0.00 179.25 181.21 2g18 n PHE 227 N -3.71 0.00 0.00 0.00 3.01 -0.05 -4.72 117.46 111.99 2g18 n PHE 227 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2g18 n PHE 227 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.57 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 0.05 1.58 0.23 1.37 0.00 0.10 -4.54 105.19 103.98 2g18 n GLY 228 Ca 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 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 1.22 -0.22 1.61 2.07 -1.90 -2.59 116.25 116.44 2g18 h VAL 229 Ca 0.00 -0.73 -0.15 0.00 0.82 0.00 0.00 66.70 66.64 2g18 h VAL 229 Cb 0.00 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2g18 h VAL 229 CO 0.00 0.27 -0.44 0.44 0.02 0.00 0.00 177.57 177.86 2g18 h ASP 230 N 0.67 0.77 -0.55 0.57 5.19 -1.96 -0.63 116.42 120.47 2g18 h ASP 230 Ca 0.16 -0.55 0.07 0.00 -0.62 0.00 0.00 57.03 56.09 2g18 h ASP 230 Cb 0.25 -0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.48 2g18 h ASP 230 CO -0.01 1.17 0.24 -0.25 -3.12 0.00 0.00 179.24 177.28 2g18 h TRP 231 N 0.40 0.43 -0.67 4.55 7.01 -1.80 0.11 115.95 125.98 2g18 h TRP 231 Ca 0.01 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 2g18 h TRP 231 Cb 1.05 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.97 2g18 h TRP 231 CO 0.09 0.17 0.16 0.00 -2.79 0.00 0.00 178.44 176.06 2g18 h ALA 232 N 1.34 0.89 -0.39 2.65 0.00 -1.35 -0.87 119.26 121.52 2g18 h ALA 232 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2g18 h ALA 232 Cb 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2g18 h ALA 232 CO -0.22 0.61 0.16 1.49 0.00 0.00 0.00 179.25 181.29 2g18 h GLU 233 N 1.01 0.58 -0.61 0.00 4.57 -0.55 -1.46 114.58 118.12 2g18 h GLU 233 Ca 0.21 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2g18 h GLU 233 Cb 0.38 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2g18 h GLU 233 CO 0.00 0.55 0.30 -0.97 -1.18 0.00 0.00 179.01 177.71 2g18 h ASN 234 N 0.49 0.77 -0.31 1.04 -0.73 -0.59 -2.01 115.58 114.23 2g18 h ASN 234 Ca 0.13 -0.08 -0.12 0.00 1.87 0.00 0.00 56.30 58.11 2g18 h ASN 234 Cb 0.18 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2g18 h ASN 234 CO -0.01 0.66 -0.27 0.22 -0.37 0.00 0.00 177.43 177.65 2g18 h TYR 235 N 0.86 0.88 -0.79 0.67 3.20 -0.90 -0.90 116.97 120.00 2g18 h TYR 235 Ca 0.21 -0.26 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2g18 h TYR 235 Cb 0.09 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 2g18 h TYR 235 CO 0.01 1.01 0.37 0.52 -1.64 0.00 0.00 178.16 178.43 2g18 h MET 236 N 0.50 1.14 0.00 1.82 2.86 -1.00 -0.28 114.93 119.97 2g18 h MET 236 Ca 0.05 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2g18 h MET 236 Cb 0.84 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2g18 h MET 236 CO 0.07 0.89 -0.95 0.25 1.06 0.00 0.00 176.91 178.23 2g18 n THR 237 N -4.36 0.51 0.05 2.22 -2.24 -0.78 -0.91 114.28 108.78 2g18 n THR 237 Ca 0.07 -0.46 0.01 0.00 -2.27 0.00 0.00 64.05 61.40 2g18 n THR 237 Cb 0.14 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.48 0.00 -0.05 4.28 -2.24 -0.35 -3.79 114.28 109.65 2g18 n THR 238 Ca 0.01 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 2g18 n THR 238 Cb 0.52 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.34 0.71 -0.08 2.28 0.31 -0.16 -4.73 118.33 115.32 2g18 n VAL 239 Ca -0.00 -0.11 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 2g18 n VAL 239 Cb 0.05 -1.68 -0.12 0.00 -0.91 0.00 0.00 33.84 31.17 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 -0.41 0.01 -5.85 7.52 3.38 -1.50 -3.42 115.31 115.02 2g18 h LEU 240 Ca -0.26 -0.80 -0.53 0.00 0.09 0.00 0.00 57.88 56.39 2g18 h LEU 240 Cb 1.17 -0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.51 2g18 h LEU 240 CO -0.16 1.21 -1.01 0.49 0.09 0.00 0.00 178.44 179.06 2g18 n PHE 241 N -4.53 1.22 -2.60 1.13 3.72 -0.08 -5.01 117.46 111.30 2g18 n PHE 241 Ca -0.19 -3.84 -0.41 0.00 -0.05 0.00 0.00 57.45 52.96 2g18 n PHE 241 Cb 0.57 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.63 2g18 n PHE 241 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2g18 s ASP 242 N -2.46 7.39 0.32 4.37 -4.77 -1.25 -4.66 116.67 115.61 2g18 s ASP 242 Ca 0.41 2.02 -0.29 0.00 -3.30 0.00 0.00 52.55 51.40 2g18 s ASP 242 Cb 0.29 -2.60 -0.10 0.00 -1.09 0.00 0.00 42.92 39.41 2g18 s ASP 242 CO -0.09 -0.10 1.34 -0.76 0.70 0.00 0.00 175.17 176.26 2g18 s LEU 243 N -0.60 4.41 0.63 2.11 1.43 -1.26 -4.87 118.68 120.53 2g18 s LEU 243 Ca 0.46 2.71 0.34 0.00 -1.03 0.00 0.00 54.13 56.61 2g18 s LEU 243 Cb -0.28 -3.65 1.92 0.00 0.03 0.00 0.00 46.19 44.22 2g18 s LEU 243 CO 0.34 -0.59 2.17 1.55 0.23 0.00 0.00 176.35 180.05 2g18 h PRO 244 N 3.68 0.00 0.00 1.29 0.13 -1.93 -3.52 132.00 131.64 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2g18 h PRO 244 CO 0.68 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.84