#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgf s ASP 5 N 0.00 6.21 0.05 4.31 3.68 -1.26 -4.88 116.67 124.78 2jgf s ASP 5 Ca 0.00 2.36 0.21 0.00 2.13 0.00 0.00 52.55 57.25 2jgf s ASP 5 Cb 0.00 -2.53 0.88 0.00 -1.45 0.00 0.00 42.92 39.82 2jgf s ASP 5 CO 0.00 -1.29 1.67 -0.81 0.13 0.00 0.00 175.17 174.87 2jgf n PRO 6 N 7.82 0.05 0.15 4.34 -0.04 -1.26 -1.77 135.00 144.29 2jgf n PRO 6 Ca 0.22 0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 2jgf n PRO 6 Cb 0.42 -1.57 0.09 0.00 -0.04 0.00 0.00 33.50 32.40 2jgf n PRO 6 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jgf h GLN 7 N 0.00 0.00 -0.58 0.54 1.08 -2.03 -3.26 115.11 110.86 2jgf h GLN 7 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jgf h GLN 7 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2jgf h GLN 7 CO 0.00 0.45 0.00 1.28 -0.95 0.00 0.00 178.83 179.61 2jgf n LEU 8 N -3.26 3.21 -4.03 1.46 4.77 -0.73 -4.84 117.00 113.59 2jgf n LEU 8 Ca 0.02 -1.61 -0.30 0.00 -0.03 0.00 0.00 56.01 54.09 2jgf n LEU 8 Cb 0.69 -0.41 -0.16 0.00 -2.33 0.00 0.00 43.42 41.20 2jgf n LEU 8 CO 0.39 0.73 -0.49 -0.22 -1.33 0.00 0.00 177.39 176.47 2jgf s LEU 9 N -1.13 1.72 0.04 2.23 2.96 -1.23 -0.13 118.68 123.13 2jgf s LEU 9 Ca 0.38 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2jgf s LEU 9 Cb 0.21 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 2jgf s LEU 9 CO 0.24 -0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.42 2jgf s VAL 10 N 1.43 0.88 -0.26 1.68 1.01 -0.71 -4.96 120.40 119.47 2jgf s VAL 10 Ca 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2jgf s VAL 10 Cb -0.13 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2jgf s VAL 10 CO -0.10 -0.11 -0.00 -0.60 0.00 0.00 0.00 175.10 174.29 2jgf s ARG 11 N -1.19 3.02 0.42 2.72 3.52 -1.26 -0.80 118.95 125.38 2jgf s ARG 11 Ca -0.02 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 54.79 2jgf s ARG 11 Cb -0.08 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2jgf s ARG 11 CO 0.01 -0.38 0.44 0.14 -0.81 0.00 0.00 175.30 174.70 2jgf s VAL 12 N 1.42 2.77 0.49 7.11 -7.23 0.30 -4.88 120.40 120.38 2jgf s VAL 12 Ca 0.02 -1.23 0.30 0.00 -1.81 0.00 0.00 61.98 59.25 2jgf s VAL 12 Cb -0.16 -3.00 0.49 0.00 0.56 0.00 0.00 36.38 34.26 2jgf s VAL 12 CO -0.02 -0.00 1.80 0.03 -0.31 0.00 0.00 175.10 176.60 2jgf h ARG 13 N 0.90 0.13 0.00 4.82 3.08 -1.94 -0.00 114.38 121.37 2jgf h ARG 13 Ca -0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2jgf h ARG 13 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2jgf h ARG 13 CO 0.53 0.09 -0.49 0.41 -1.07 0.00 0.00 179.97 179.45 2jgf n GLY 14 N -1.66 -1.27 0.00 0.04 0.00 -1.26 -4.94 105.19 96.10 2jgf n GLY 14 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2jgf n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgf n GLY 15 N 1.49 0.82 3.88 -0.02 0.00 -0.02 -0.56 105.19 110.78 2jgf n GLY 15 Ca 0.05 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 2jgf n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgf s GLN 16 N -2.00 3.75 0.07 1.61 -0.21 -1.24 -0.54 119.66 121.10 2jgf s GLN 16 Ca 0.00 0.15 0.04 0.00 0.02 0.00 0.00 55.36 55.57 2jgf s GLN 16 Cb 0.00 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 2jgf s GLN 16 CO 0.00 0.41 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.95 2jgf s LEU 17 N -2.61 2.32 -0.12 2.90 1.43 0.02 -1.46 118.68 121.16 2jgf s LEU 17 Ca 0.43 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2jgf s LEU 17 Cb -0.12 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.75 2jgf s LEU 17 CO 0.22 -0.16 -0.08 -0.60 0.23 0.00 0.00 176.35 175.96 2jgf s ARG 18 N -2.05 1.54 0.00 1.70 3.52 -0.68 -1.74 118.95 121.24 2jgf s ARG 18 Ca -0.01 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 2jgf s ARG 18 Cb -0.08 -1.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 2jgf s ARG 18 CO 0.01 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 174.63 2jgf n GLY 19 N 4.93 0.39 3.24 8.12 0.00 0.81 -0.58 105.19 122.10 2jgf n GLY 19 Ca -0.12 -1.87 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 2jgf n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jgf s ILE 20 N 0.24 1.43 -0.27 -0.61 2.07 -0.33 -4.74 121.20 119.00 2jgf s ILE 20 Ca 0.00 -1.51 -0.18 0.00 -1.41 0.00 0.00 60.65 57.55 2jgf s ILE 20 Cb 0.00 -1.39 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 2jgf s ILE 20 CO 0.00 -0.20 0.54 -0.60 -1.91 0.00 0.00 174.94 172.77 2jgf s ARG 21 N -2.03 4.04 0.13 3.50 3.52 -1.26 -0.79 118.95 126.05 2jgf s ARG 21 Ca 0.04 0.33 0.03 0.00 -0.13 0.00 0.00 55.73 56.00 2jgf s ARG 21 Cb -0.09 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 2jgf s ARG 21 CO 0.03 -0.40 0.18 -0.51 -0.81 0.00 0.00 175.30 173.80 2jgf s LEU 22 N 2.37 4.03 -0.25 -0.88 1.43 0.89 -4.94 118.68 121.33 2jgf s LEU 22 Ca 0.22 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 2jgf s LEU 22 Cb -0.16 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2jgf s LEU 22 CO 0.09 0.10 0.27 -0.75 0.23 0.00 0.00 176.35 176.30 2jgf s LYS 23 N -2.93 4.04 0.20 1.70 2.20 -1.26 -0.78 119.74 122.91 2jgf s LYS 23 Ca 0.32 -0.10 0.06 0.00 -0.36 0.00 0.00 55.97 55.89 2jgf s LYS 23 Cb -0.11 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2jgf s LYS 23 CO 0.25 -0.12 0.12 0.00 -0.36 0.00 0.00 175.35 175.24 2jgf s ALA 24 N 1.60 3.48 0.30 3.13 0.00 -0.57 -4.96 121.76 124.73 2jgf s ALA 24 Ca 0.12 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2jgf s ALA 24 Cb -0.15 -1.23 0.79 0.00 0.00 0.00 0.00 23.12 22.53 2jgf s ALA 24 CO 0.08 0.41 1.66 -1.35 0.00 0.00 0.00 175.76 176.56 2jgf h PRO 25 N 2.15 0.26 -0.61 0.00 0.11 -1.96 -1.39 132.00 130.56 2jgf h PRO 25 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jgf h PRO 25 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jgf h PRO 25 CO 0.61 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 2jgf n GLY 26 N -1.35 2.85 0.00 -0.55 0.00 -1.26 -5.04 105.19 99.84 2jgf n GLY 26 Ca 0.24 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2jgf n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgf n GLY 27 N 0.98 1.30 3.80 -0.02 0.00 -0.52 -5.05 105.19 105.67 2jgf n GLY 27 Ca 0.25 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 2jgf n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jgf s PRO 28 N -1.41 3.55 0.02 1.61 0.04 -1.26 -1.52 135.00 136.03 2jgf s PRO 28 Ca 0.00 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.36 2jgf s PRO 28 Cb 0.00 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2jgf s PRO 28 CO 0.00 -0.63 -0.10 0.14 0.04 0.00 0.00 177.00 176.45 2jgf s VAL 29 N -2.21 0.76 -0.21 -0.36 -7.23 0.04 -3.24 120.40 107.96 2jgf s VAL 29 Ca 0.66 -0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 59.88 2jgf s VAL 29 Cb -0.16 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 2jgf s VAL 29 CO 0.29 -0.00 0.73 -0.44 -0.31 0.00 0.00 175.10 175.37 2jgf s SER 30 N -0.80 6.78 -0.11 4.85 0.01 -0.79 -0.08 113.70 123.57 2jgf s SER 30 Ca -0.00 0.96 0.01 0.00 1.31 0.00 0.00 55.95 58.23 2jgf s SER 30 Cb -0.06 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2jgf s SER 30 CO 0.00 -0.38 -0.15 0.00 0.41 0.00 0.00 173.24 173.13 2jgf s ALA 31 N 2.27 2.57 -0.38 1.44 0.00 0.03 -1.32 121.76 126.37 2jgf s ALA 31 Ca 0.33 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2jgf s ALA 31 Cb -0.16 -1.10 0.11 0.00 0.00 0.00 0.00 23.12 21.96 2jgf s ALA 31 CO 0.10 0.32 0.12 -0.06 0.00 0.00 0.00 175.76 176.24 2jgf s PHE 32 N 0.12 3.67 -0.13 0.00 0.40 0.16 -1.18 117.98 121.02 2jgf s PHE 32 Ca -0.07 -2.87 -0.02 0.00 -0.60 0.00 0.00 56.93 53.37 2jgf s PHE 32 Cb -0.15 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 2jgf s PHE 32 CO 0.05 -0.94 -0.05 -0.51 0.70 0.00 0.00 175.22 174.47 2jgf s LEU 33 N 0.84 3.20 0.00 -0.37 1.43 0.15 -0.41 118.68 123.52 2jgf s LEU 33 Ca 0.11 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2jgf s LEU 33 Cb -0.21 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2jgf s LEU 33 CO -0.06 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.35 2jgf n GLY 34 N 3.15 0.56 3.67 -3.19 0.00 -1.06 -3.68 105.19 104.64 2jgf n GLY 34 Ca -0.18 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 2jgf n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgf s ILE 35 N -2.13 4.20 0.05 -0.61 1.01 -0.19 -4.78 121.20 118.75 2jgf s ILE 35 Ca 0.00 1.50 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 2jgf s ILE 35 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2jgf s ILE 35 CO 0.00 -0.07 1.17 -2.16 0.00 0.00 0.00 174.94 173.88 2jgf s PRO 36 N 2.91 4.44 -0.00 2.79 0.04 -1.26 -0.18 135.00 143.74 2jgf s PRO 36 Ca 0.56 1.72 0.12 0.00 0.04 0.00 0.00 61.00 63.45 2jgf s PRO 36 Cb -0.24 -3.37 -0.14 0.00 0.04 0.00 0.00 34.50 30.79 2jgf s PRO 36 CO 0.19 -0.24 0.44 1.97 0.04 0.00 0.00 177.00 179.40 2jgf n PHE 37 N 3.98 0.00 -4.08 0.56 1.16 -0.86 -4.82 117.46 113.41 2jgf n PHE 37 Ca 0.09 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.58 2jgf n PHE 37 Cb 0.47 -0.07 -0.10 0.00 -1.61 0.00 0.00 39.48 38.17 2jgf n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jgf s ALA 38 N -2.30 0.52 0.30 1.98 0.00 -1.24 -2.68 121.76 118.34 2jgf s ALA 38 Ca 0.02 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2jgf s ALA 38 Cb 0.09 0.20 -0.13 0.00 0.00 0.00 0.00 23.12 23.28 2jgf s ALA 38 CO 0.49 -0.26 1.31 0.39 0.00 0.00 0.00 175.76 177.68 2jgf n GLU 39 N 0.54 2.02 -1.66 0.00 -0.58 -0.22 -4.48 120.64 116.26 2jgf n GLU 39 Ca -0.17 0.71 -0.49 0.00 -0.42 0.00 0.00 57.16 56.80 2jgf n GLU 39 Cb 0.59 -2.30 -0.05 0.00 -0.57 0.00 0.00 31.44 29.11 2jgf n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jgf n PRO 40 N 1.11 1.84 -1.28 3.49 -0.02 -1.26 -4.69 135.00 134.19 2jgf n PRO 40 Ca 0.08 0.67 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 2jgf n PRO 40 Cb 0.34 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 2jgf n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jgf n PRO 41 N 4.14 3.24 -4.13 0.52 -0.04 -1.26 -4.90 135.00 132.57 2jgf n PRO 41 Ca 0.19 -1.96 -0.24 0.00 -0.04 0.00 0.00 63.50 61.45 2jgf n PRO 41 Cb 0.25 -2.53 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 2jgf n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jgf s VAL 42 N 1.40 2.39 0.00 0.52 -7.23 -1.26 -2.93 120.40 113.28 2jgf s VAL 42 Ca 0.67 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2jgf s VAL 42 Cb 0.23 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2jgf s VAL 42 CO -0.05 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 2jgf n GLY 43 N -1.22 4.28 0.00 2.32 0.00 -1.26 -1.30 105.19 108.00 2jgf n GLY 43 Ca -0.01 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2jgf n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgf n SER 44 N 8.75 0.00 -0.81 1.61 3.41 -1.26 -2.62 113.62 122.70 2jgf n SER 44 Ca 0.00 -0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.46 2jgf n SER 44 Cb 0.00 -0.21 0.07 0.00 -0.26 0.00 0.00 64.21 63.80 2jgf n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jgf n ARG 45 N -1.21 1.97 -1.86 4.33 5.12 -0.42 -4.82 116.66 119.76 2jgf n ARG 45 Ca 0.14 -1.63 -0.41 0.00 -1.93 0.00 0.00 57.85 54.02 2jgf n ARG 45 Cb 0.18 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 30.00 2jgf n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2jgf s ARG 46 N -2.16 4.16 0.00 5.56 3.52 -1.08 -2.27 118.95 126.69 2jgf s ARG 46 Ca 0.25 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.35 2jgf s ARG 46 Cb 0.19 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 2jgf s ARG 46 CO 0.39 -0.53 0.00 1.19 -0.81 0.00 0.00 175.30 175.54 2jgf n PHE 47 N 1.56 0.00 -4.09 5.12 3.72 -1.26 -4.96 117.46 117.55 2jgf n PHE 47 Ca 0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 2jgf n PHE 47 Cb 0.39 -0.62 -0.04 0.00 -0.94 0.00 0.00 39.48 38.27 2jgf n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jgf s MET 48 N -0.42 3.00 0.57 -1.08 -1.94 -0.96 -4.29 119.30 114.19 2jgf s MET 48 Ca 0.00 -1.00 -0.20 0.00 -1.71 0.00 0.00 55.69 52.78 2jgf s MET 48 Cb 0.00 -2.62 -0.05 0.00 2.01 0.00 0.00 34.83 34.18 2jgf s MET 48 CO 0.00 0.41 1.13 -2.30 -0.01 0.00 0.00 175.02 174.25 2jgf n PRO 49 N -1.19 1.21 -2.20 2.03 -0.02 -1.26 -4.92 135.00 128.65 2jgf n PRO 49 Ca -0.08 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 2jgf n PRO 49 Cb 0.58 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 2jgf n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jgf s PRO 50 N -2.80 3.28 0.08 0.52 0.04 -1.26 -5.06 135.00 129.80 2jgf s PRO 50 Ca 0.74 1.61 0.08 0.00 0.04 0.00 0.00 61.00 63.48 2jgf s PRO 50 Cb -0.43 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2jgf s PRO 50 CO 0.48 -0.91 -0.18 -1.21 0.04 0.00 0.00 177.00 175.21 2jgf s GLU 51 N -3.35 1.89 0.16 4.56 2.02 -1.26 -5.03 118.70 117.69 2jgf s GLU 51 Ca 0.73 -1.10 -0.33 0.00 0.02 0.00 0.00 54.97 54.29 2jgf s GLU 51 Cb -0.24 -2.14 -0.16 0.00 0.10 0.00 0.00 34.13 31.69 2jgf s GLU 51 CO 0.29 0.50 1.07 -0.35 0.02 0.00 0.00 175.26 176.79 2jgf n PRO 52 N 1.12 0.87 -1.73 0.39 -0.04 -1.26 -1.05 135.00 133.30 2jgf n PRO 52 Ca -0.16 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 2jgf n PRO 52 Cb 0.52 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 2jgf n PRO 52 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jgf n LYS 53 N 1.60 2.65 -2.30 0.54 3.00 -1.09 -4.11 118.16 118.45 2jgf n LYS 53 Ca 0.16 0.95 -0.35 0.00 -0.00 0.00 0.00 58.31 59.06 2jgf n LYS 53 Cb 0.23 -2.74 -0.01 0.00 0.00 0.00 0.00 35.03 32.51 2jgf n LYS 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jgf s ARG 54 N -0.01 3.52 0.83 1.64 0.52 -1.26 -4.90 118.95 119.28 2jgf s ARG 54 Ca 0.68 1.61 -0.14 0.00 -0.52 0.00 0.00 55.73 57.36 2jgf s ARG 54 Cb -0.52 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 32.86 2jgf s ARG 54 CO 0.44 -0.71 0.69 -2.30 0.02 0.00 0.00 175.30 173.43 2jgf n PRO 55 N -1.06 0.06 -4.26 3.54 -0.02 -1.26 -5.00 135.00 127.00 2jgf n PRO 55 Ca 0.10 0.08 -0.16 0.00 -2.02 0.00 0.00 63.50 61.50 2jgf n PRO 55 Cb 0.50 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 2jgf n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jgf s TRP 56 N -2.14 1.38 0.28 6.00 -2.14 0.27 -5.04 118.94 117.54 2jgf s TRP 56 Ca 0.65 -0.64 -0.08 0.00 2.66 0.00 0.00 56.10 58.69 2jgf s TRP 56 Cb -0.28 -0.70 -0.06 0.00 -3.10 0.00 0.00 33.47 29.33 2jgf s TRP 56 CO 0.59 0.15 0.58 -1.54 -2.66 0.00 0.00 176.95 174.07 2jgf s SER 57 N -2.89 6.53 0.86 -2.66 1.04 -1.26 -4.59 113.70 110.74 2jgf s SER 57 Ca 0.14 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2jgf s SER 57 Cb -0.01 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2jgf s SER 57 CO 0.03 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2jgf n GLY 58 N -0.63 0.98 3.32 7.32 0.00 -1.26 -4.57 105.19 110.35 2jgf n GLY 58 Ca -0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2jgf n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgf s VAL 59 N 0.00 3.94 0.00 1.61 1.01 -1.26 -3.66 120.40 122.04 2jgf s VAL 59 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2jgf s VAL 59 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2jgf s VAL 59 CO 0.00 -0.03 1.11 -0.22 0.00 0.00 0.00 175.10 175.96 2jgf s LEU 60 N 1.47 4.34 -0.43 3.92 2.96 -0.54 -4.89 118.68 125.51 2jgf s LEU 60 Ca 0.01 1.81 -0.29 0.00 -0.22 0.00 0.00 54.13 55.45 2jgf s LEU 60 Cb -0.18 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.95 2jgf s LEU 60 CO 0.03 -0.43 1.42 -0.62 -1.32 0.00 0.00 176.35 175.43 2jgf s ASP 61 N 1.14 6.30 -0.52 3.68 3.68 -1.26 -1.69 116.67 128.00 2jgf s ASP 61 Ca 0.55 0.78 0.04 0.00 2.13 0.00 0.00 52.55 56.05 2jgf s ASP 61 Cb -0.25 -2.54 0.39 0.00 -1.45 0.00 0.00 42.92 39.08 2jgf s ASP 61 CO 0.26 -1.47 1.16 0.00 0.13 0.00 0.00 175.17 175.24 2jgf n ALA 62 N 8.96 5.12 0.28 3.66 0.00 0.25 -4.67 120.51 134.11 2jgf n ALA 62 Ca 0.16 -4.41 0.03 0.00 0.00 0.00 0.00 53.44 49.23 2jgf n ALA 62 Cb 0.48 -0.73 0.03 0.00 0.00 0.00 0.00 19.45 19.23 2jgf n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jgf n THR 63 N -0.42 0.00 -3.90 0.00 -2.24 -1.24 -0.67 114.28 105.80 2jgf n THR 63 Ca 0.38 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 2jgf n THR 63 Cb 0.56 1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 69.79 2jgf n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jgf s THR 64 N -0.58 0.03 0.28 4.28 -1.32 -1.25 -4.81 115.64 112.27 2jgf s THR 64 Ca 0.08 -0.28 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 2jgf s THR 64 Cb 0.06 -0.09 -0.11 0.00 -1.51 0.00 0.00 72.50 70.85 2jgf s THR 64 CO 0.09 -0.15 1.50 -0.36 -2.21 0.00 0.00 174.62 173.49 2jgf s PHE 65 N -0.45 2.88 0.96 9.09 0.08 -1.26 -3.49 117.98 125.79 2jgf s PHE 65 Ca -0.05 0.94 -0.15 0.00 0.12 0.00 0.00 56.93 57.80 2jgf s PHE 65 Cb -0.03 -3.93 0.21 0.00 -0.57 0.00 0.00 43.02 38.70 2jgf s PHE 65 CO -0.00 -3.06 1.31 -0.65 -0.10 0.00 0.00 175.22 172.72 2jgf s GLN 66 N -0.58 0.54 0.52 0.44 -1.52 -1.26 -4.92 119.66 112.88 2jgf s GLN 66 Ca 0.60 -0.59 -0.22 0.00 -1.95 0.00 0.00 55.36 53.19 2jgf s GLN 66 Cb -0.45 -1.89 -0.06 0.00 -0.22 0.00 0.00 33.01 30.40 2jgf s GLN 66 CO 0.47 -2.44 1.33 0.09 -0.25 0.00 0.00 175.29 174.48 2jgf n ASN 67 N -3.73 2.61 -4.75 5.90 3.02 -1.26 -4.87 115.26 112.18 2jgf n ASN 67 Ca 0.17 1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 55.31 2jgf n ASN 67 Cb 0.59 -1.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.15 2jgf n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jgf s VAL 68 N -1.28 3.95 0.63 2.41 1.01 -0.56 -4.65 120.40 121.92 2jgf s VAL 68 Ca 0.69 1.95 -0.18 0.00 0.00 0.00 0.00 61.98 64.44 2jgf s VAL 68 Cb -0.43 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 2jgf s VAL 68 CO 0.51 0.46 1.28 0.00 0.00 0.00 0.00 175.10 177.34 2jgf s TYR 70 N -1.44 2.50 0.13 0.00 5.04 -1.10 -4.65 117.35 117.83 2jgf s TYR 70 Ca 0.81 0.41 -0.20 0.00 -2.44 0.00 0.00 57.07 55.65 2jgf s TYR 70 Cb -0.36 -3.91 0.05 0.00 0.35 0.00 0.00 41.96 38.10 2jgf s TYR 70 CO 0.38 -3.60 0.49 1.14 -1.34 0.00 0.00 175.55 172.63 2jgf s GLN 71 N 2.61 1.14 0.22 4.97 -2.07 -1.26 -4.65 119.66 120.62 2jgf s GLN 71 Ca 0.72 -0.55 -0.32 0.00 -1.82 0.00 0.00 55.36 53.39 2jgf s GLN 71 Cb -0.38 0.52 -0.14 0.00 -1.09 0.00 0.00 33.01 31.92 2jgf s GLN 71 CO 0.31 -0.47 1.42 0.98 -1.32 0.00 0.00 175.29 176.22 2jgf n TYR 72 N -0.19 2.12 -4.19 9.60 4.19 -1.26 -5.00 117.16 122.43 2jgf n TYR 72 Ca -0.17 0.42 -0.36 0.00 3.31 0.00 0.00 57.90 61.11 2jgf n TYR 72 Cb 0.64 -2.46 -0.08 0.00 0.49 0.00 0.00 39.34 37.92 2jgf n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jgf s VAL 73 N 0.12 4.76 0.08 2.97 1.01 -1.26 -4.88 120.40 123.20 2jgf s VAL 73 Ca 0.71 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 2jgf s VAL 73 Cb -0.67 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2jgf s VAL 73 CO 0.48 0.60 0.82 -0.62 0.00 0.00 0.00 175.10 176.37 2jgf s ASP 74 N -0.98 7.32 0.00 3.32 -1.08 -1.26 -4.95 116.67 119.04 2jgf s ASP 74 Ca 0.14 1.57 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 2jgf s ASP 74 Cb -0.12 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2jgf s ASP 74 CO 0.04 0.02 0.56 0.35 0.52 0.00 0.00 175.17 176.66 2jgf n THR 75 N 2.62 0.30 -0.30 1.71 -2.24 -1.26 -4.81 114.28 110.30 2jgf n THR 75 Ca -0.02 -0.38 0.02 0.00 -2.27 0.00 0.00 64.05 61.40 2jgf n THR 75 Cb 0.50 1.03 0.15 0.00 -2.10 0.00 0.00 70.33 69.91 2jgf n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jgf h LEU 76 N 0.00 0.74 -6.51 3.22 5.85 -2.01 -3.33 115.31 113.27 2jgf h LEU 76 Ca 0.00 0.03 -0.60 0.00 0.84 0.00 0.00 57.88 58.16 2jgf h LEU 76 Cb 0.61 -0.12 -0.39 0.00 0.37 0.00 0.00 40.66 41.13 2jgf h LEU 76 CO 0.00 0.45 -0.88 -1.22 -0.34 0.00 0.00 178.44 176.45 2jgf n TYR 77 N -4.69 0.21 -1.70 1.25 4.01 -1.26 -5.11 117.16 109.87 2jgf n TYR 77 Ca 0.13 -3.58 -0.44 0.00 -0.16 0.00 0.00 57.90 53.85 2jgf n TYR 77 Cb 0.22 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2jgf n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2jgf n PRO 78 N 2.50 2.49 -0.98 -0.72 -0.02 -1.25 -2.14 135.00 134.88 2jgf n PRO 78 Ca 0.27 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 2jgf n PRO 78 Cb 0.45 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2jgf n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgf n GLY 79 N 3.44 0.83 3.69 -1.23 0.00 -1.26 -5.01 105.19 105.65 2jgf n GLY 79 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2jgf n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgf s PHE 80 N -3.39 3.48 0.36 1.61 5.36 -0.91 -4.97 117.98 119.52 2jgf s PHE 80 Ca 0.00 1.14 0.04 0.00 -0.96 0.00 0.00 56.93 57.15 2jgf s PHE 80 Cb 0.00 -2.84 0.69 0.00 -0.34 0.00 0.00 43.02 40.53 2jgf s PHE 80 CO 0.00 -0.06 2.00 1.49 -1.46 0.00 0.00 175.22 177.20 2jgf h GLU 81 N 7.09 0.72 -0.38 10.12 4.57 -1.95 -1.19 114.58 133.56 2jgf h GLU 81 Ca -0.36 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 57.78 2jgf h GLU 81 Cb 1.17 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2jgf h GLU 81 CO 0.78 0.50 0.25 0.78 -1.18 0.00 0.00 179.01 180.14 2jgf h GLY 82 N 0.77 0.50 0.49 1.92 0.00 -1.93 -1.95 103.07 102.86 2jgf h GLY 82 Ca 0.19 -0.18 -0.34 0.00 0.00 0.00 0.00 47.33 47.01 2jgf h GLY 82 CO -0.04 0.17 -2.07 -1.30 0.00 0.00 0.00 176.54 173.31 2jgf n THR 83 N -4.48 1.54 0.34 4.70 -2.24 -1.02 -4.47 114.28 108.64 2jgf n THR 83 Ca 0.03 -0.78 0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2jgf n THR 83 Cb 0.10 -0.95 0.45 0.00 -2.10 0.00 0.00 70.33 67.84 2jgf n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jgf h GLU 84 N 0.01 0.00 0.00 -0.78 4.39 -0.87 -2.72 114.58 114.61 2jgf h GLU 84 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2jgf h GLU 84 Cb 2.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 2jgf h GLU 84 CO 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 2jgf h MET 85 N 0.00 0.00 -0.00 2.33 -0.00 -1.59 -1.83 114.93 113.85 2jgf h MET 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jgf h MET 85 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 2jgf h MET 85 CO 0.00 0.00 -0.92 0.91 -0.00 0.00 0.00 176.91 176.90 2jgf n TRP 86 N -2.34 0.00 -2.45 -0.10 7.02 -1.03 -4.77 117.44 113.77 2jgf n TRP 86 Ca 0.03 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.17 2jgf n TRP 86 Cb 0.29 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.15 2jgf n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jgf s ASN 87 N -2.86 6.32 0.23 -0.99 0.01 -0.69 -4.62 114.94 112.34 2jgf s ASN 87 Ca 0.08 1.83 -0.32 0.00 -0.71 0.00 0.00 52.86 53.74 2jgf s ASN 87 Cb 0.15 -2.55 -0.13 0.00 0.41 0.00 0.00 41.25 39.13 2jgf s ASN 87 CO 0.81 -0.79 1.46 -2.65 -1.51 0.00 0.00 177.10 174.41 2jgf n PRO 88 N -1.24 2.13 -0.16 -0.60 -0.02 -1.26 -4.89 135.00 128.96 2jgf n PRO 88 Ca 0.09 0.76 0.05 0.00 -2.02 0.00 0.00 63.50 62.37 2jgf n PRO 88 Cb 0.53 -2.45 0.13 0.00 -0.02 0.00 0.00 33.50 31.69 2jgf n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jgf n ASN 89 N 2.40 2.80 -4.20 2.55 2.04 -1.26 -4.97 115.26 114.61 2jgf n ASN 89 Ca 0.12 -2.19 -0.12 0.00 -0.44 0.00 0.00 54.58 51.96 2jgf n ASN 89 Cb 0.31 -0.23 -0.10 0.00 -2.53 0.00 0.00 39.78 37.24 2jgf n ASN 89 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2jgf s ARG 90 N -1.33 1.16 0.32 -3.83 1.81 -1.26 -5.08 118.95 110.74 2jgf s ARG 90 Ca 0.20 -1.60 -0.29 0.00 -1.72 0.00 0.00 55.73 52.33 2jgf s ARG 90 Cb 0.13 0.18 -0.12 0.00 -0.45 0.00 0.00 34.95 34.68 2jgf s ARG 90 CO 0.10 -0.34 1.32 0.39 -0.68 0.00 0.00 175.30 176.10 2jgf n GLU 91 N -0.25 2.15 -2.59 3.54 -0.58 -1.26 -4.42 120.64 117.23 2jgf n GLU 91 Ca -0.00 0.75 -0.35 0.00 -0.42 0.00 0.00 57.16 57.14 2jgf n GLU 91 Cb 0.65 -2.36 -0.04 0.00 -0.57 0.00 0.00 31.44 29.12 2jgf n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jgf s LEU 92 N -0.85 4.02 -0.26 -4.62 1.43 -1.26 -1.49 118.68 115.64 2jgf s LEU 92 Ca 0.58 1.95 -0.27 0.00 -1.03 0.00 0.00 54.13 55.36 2jgf s LEU 92 Cb -0.58 -4.36 0.16 0.00 0.03 0.00 0.00 46.19 41.45 2jgf s LEU 92 CO 0.60 -0.57 1.24 -0.55 0.23 0.00 0.00 176.35 177.30 2jgf s SER 93 N -1.79 -0.21 0.54 2.29 0.15 -0.85 -4.91 113.70 108.92 2jgf s SER 93 Ca 0.61 0.34 0.32 0.00 0.70 0.00 0.00 55.95 57.92 2jgf s SER 93 Cb -0.18 0.32 1.30 0.00 -1.71 0.00 0.00 66.02 65.74 2jgf s SER 93 CO 0.23 -0.12 1.96 -0.33 1.20 0.00 0.00 173.24 176.18 2jgf h GLU 94 N 3.04 0.00 -5.39 5.44 5.08 -1.94 -2.91 114.58 117.90 2jgf h GLU 94 Ca -0.21 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.49 2jgf h GLU 94 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2jgf h GLU 94 CO 0.20 0.03 0.90 0.34 -1.00 0.00 0.00 179.01 179.48 2jgf s ASP 95 N -5.77 6.48 0.00 1.42 -1.08 -1.26 -4.28 116.67 112.18 2jgf s ASP 95 Ca 0.01 -1.61 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 2jgf s ASP 95 Cb 0.09 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2jgf s ASP 95 CO 0.56 -1.27 0.16 0.00 0.52 0.00 0.00 175.17 175.13 2jgf n LEU 97 N 0.00 5.00 -4.15 0.00 4.77 -1.26 -4.57 117.00 116.79 2jgf n LEU 97 Ca 0.00 -3.83 -0.16 0.00 -0.03 0.00 0.00 56.01 51.99 2jgf n LEU 97 Cb 0.37 -1.71 -0.12 0.00 -2.33 0.00 0.00 43.42 39.63 2jgf n LEU 97 CO 0.00 0.05 -0.44 -0.31 -1.33 0.00 0.00 177.39 175.36 2jgf s TYR 98 N 4.93 1.05 0.19 -1.77 2.02 -1.26 -2.02 117.35 120.49 2jgf s TYR 98 Ca 0.55 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.82 2jgf s TYR 98 Cb 0.05 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 2jgf s TYR 98 CO 0.06 0.01 -0.16 -0.48 -1.57 0.00 0.00 175.55 173.41 2jgf s LEU 99 N -1.85 2.51 0.07 -1.29 0.05 0.74 -0.40 118.68 118.51 2jgf s LEU 99 Ca -0.02 -0.95 0.09 0.00 0.05 0.00 0.00 54.13 53.29 2jgf s LEU 99 Cb -0.09 -0.76 -0.03 0.00 -2.05 0.00 0.00 46.19 43.26 2jgf s LEU 99 CO 0.01 -0.10 -0.23 0.20 -0.55 0.00 0.00 176.35 175.68 2jgf s ASN 100 N -3.06 3.49 -0.06 1.48 -0.87 0.23 -1.03 114.94 115.13 2jgf s ASN 100 Ca 0.20 -0.56 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 2jgf s ASN 100 Cb -0.03 -0.41 0.02 0.00 -0.02 0.00 0.00 41.25 40.80 2jgf s ASN 100 CO 0.07 0.23 -0.10 -0.69 -2.57 0.00 0.00 177.10 174.05 2jgf s VAL 101 N -0.93 0.94 -0.08 1.60 1.01 0.46 -0.75 120.40 122.65 2jgf s VAL 101 Ca 0.14 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2jgf s VAL 101 Cb -0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2jgf s VAL 101 CO 0.05 0.31 -0.14 0.26 0.00 0.00 0.00 175.10 175.58 2jgf s TRP 102 N 0.73 2.73 0.21 5.22 0.51 0.52 0.39 118.94 129.25 2jgf s TRP 102 Ca -0.14 -0.36 0.05 0.00 -2.12 0.00 0.00 56.10 53.53 2jgf s TRP 102 Cb -0.15 -1.70 -0.05 0.00 -0.81 0.00 0.00 33.47 30.75 2jgf s TRP 102 CO 0.03 0.02 -0.06 0.95 -0.51 0.00 0.00 176.95 177.38 2jgf s THR 103 N -0.32 1.27 0.65 2.01 -4.23 -0.43 -0.63 115.64 113.96 2jgf s THR 103 Ca 0.03 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.28 2jgf s THR 103 Cb -0.13 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2jgf s THR 103 CO 0.03 -0.50 1.10 -2.65 -0.54 0.00 0.00 174.62 172.06 2jgf n PRO 104 N -0.37 0.89 -4.02 3.99 -0.02 -1.26 -1.89 135.00 132.33 2jgf n PRO 104 Ca -0.07 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 2jgf n PRO 104 Cb 0.62 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 2jgf n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgf s TYR 105 N -1.53 3.09 0.58 6.00 5.04 -1.20 -1.33 117.35 128.01 2jgf s TYR 105 Ca 0.79 -1.84 -0.19 0.00 -2.44 0.00 0.00 57.07 53.39 2jgf s TYR 105 Cb -0.39 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.89 2jgf s TYR 105 CO 0.44 -0.80 1.17 -1.25 -1.34 0.00 0.00 175.55 173.77 2jgf s PRO 106 N 1.24 3.09 0.34 4.97 0.04 -1.26 -4.66 135.00 138.76 2jgf s PRO 106 Ca -0.02 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 2jgf s PRO 106 Cb -0.17 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 2jgf s PRO 106 CO -0.06 -1.08 1.13 2.89 0.04 0.00 0.00 177.00 179.92 2jgf n ARG 107 N -1.58 1.69 -1.43 4.56 1.85 -0.44 -4.83 116.66 116.48 2jgf n ARG 107 Ca 0.12 0.59 -0.37 0.00 -1.00 0.00 0.00 57.85 57.20 2jgf n ARG 107 Cb 0.50 -2.09 0.05 0.00 -1.05 0.00 0.00 32.46 29.87 2jgf n ARG 107 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2jgf n PRO 108 N 0.53 0.52 0.11 2.89 -0.02 -1.26 -4.96 135.00 132.81 2jgf n PRO 108 Ca 0.07 0.21 -0.24 0.00 -2.02 0.00 0.00 63.50 61.53 2jgf n PRO 108 Cb 0.35 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.82 2jgf n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jgf h ALA 109 N 0.07 -0.02 -2.55 3.55 0.00 -1.92 -3.45 119.26 114.94 2jgf h ALA 109 Ca -0.46 -0.99 -0.56 0.00 0.00 0.00 0.00 54.91 52.89 2jgf h ALA 109 Cb 1.37 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 2jgf h ALA 109 CO 0.46 0.85 -0.60 -1.54 0.00 0.00 0.00 179.25 178.42 2jgf s SER 110 N -7.46 5.11 -0.34 0.00 1.04 -1.26 -5.07 113.70 105.72 2jgf s SER 110 Ca -0.12 -0.33 -0.41 0.00 0.48 0.00 0.00 55.95 55.57 2jgf s SER 110 Cb 0.05 -1.19 -0.16 0.00 0.10 0.00 0.00 66.02 64.82 2jgf s SER 110 CO 0.90 0.04 1.84 -2.65 0.98 0.00 0.00 173.24 174.35 2jgf n PRO 111 N -0.57 0.88 -4.38 4.02 -0.02 -1.26 -4.84 135.00 128.83 2jgf n PRO 111 Ca -0.08 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.36 2jgf n PRO 111 Cb 0.56 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.91 2jgf n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jgf s THR 112 N 4.31 4.11 0.32 3.45 2.01 0.17 -4.65 115.64 125.37 2jgf s THR 112 Ca 1.03 -0.30 -0.27 0.00 0.31 0.00 0.00 61.69 62.46 2jgf s THR 112 Cb -1.14 -2.77 -0.13 0.00 0.01 0.00 0.00 72.50 68.47 2jgf s THR 112 CO 0.66 0.54 1.02 -2.65 -0.69 0.00 0.00 174.62 173.49 2jgf n PRO 113 N 2.91 1.40 -4.15 4.92 -0.02 -1.26 0.10 135.00 138.89 2jgf n PRO 113 Ca -0.18 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.45 2jgf n PRO 113 Cb 0.53 -1.91 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 2jgf n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jgf s VAL 114 N -1.12 4.08 -0.22 -1.45 1.01 0.48 -3.37 120.40 119.81 2jgf s VAL 114 Ca 0.59 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2jgf s VAL 114 Cb -0.66 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2jgf s VAL 114 CO 0.60 0.45 0.11 -0.76 0.00 0.00 0.00 175.10 175.49 2jgf s LEU 115 N 0.74 3.89 -0.23 3.92 1.43 -0.56 -0.49 118.68 127.37 2jgf s LEU 115 Ca 0.00 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2jgf s LEU 115 Cb -0.14 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2jgf s LEU 115 CO 0.02 0.09 0.03 -0.63 0.23 0.00 0.00 176.35 176.09 2jgf s ILE 116 N 0.89 4.00 0.04 -0.59 1.01 0.40 -0.29 121.20 126.67 2jgf s ILE 116 Ca 0.06 -0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 2jgf s ILE 116 Cb -0.13 -2.85 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 2jgf s ILE 116 CO 0.03 0.37 0.48 0.86 0.00 0.00 0.00 174.94 176.68 2jgf s TRP 117 N 1.50 3.76 -0.30 3.97 -0.11 0.11 -0.57 118.94 127.30 2jgf s TRP 117 Ca 0.06 1.12 -0.01 0.00 1.22 0.00 0.00 56.10 58.48 2jgf s TRP 117 Cb -0.15 -2.38 0.10 0.00 -1.50 0.00 0.00 33.47 29.54 2jgf s TRP 117 CO 0.01 0.61 0.09 0.42 -4.62 0.00 0.00 176.95 173.47 2jgf s ILE 118 N -1.11 0.83 0.83 5.86 1.01 -0.34 -3.76 121.20 124.52 2jgf s ILE 118 Ca 0.26 -1.31 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 2jgf s ILE 118 Cb -0.18 -1.60 0.10 0.00 0.01 0.00 0.00 42.46 40.79 2jgf s ILE 118 CO 0.16 -0.63 1.17 -0.72 0.00 0.00 0.00 174.94 174.92 2jgf s TYR 119 N 1.65 1.86 0.00 3.97 -0.85 -1.26 -3.51 117.35 119.20 2jgf s TYR 119 Ca 0.08 1.70 0.00 0.00 -0.52 0.00 0.00 57.07 58.33 2jgf s TYR 119 Cb -0.17 -3.37 0.00 0.00 0.38 0.00 0.00 41.96 38.80 2jgf s TYR 119 CO -0.24 -2.66 0.00 0.41 -1.52 0.00 0.00 175.55 171.54 2jgf n GLY 120 N 0.15 1.21 0.00 5.49 0.00 -1.12 -2.78 105.19 108.14 2jgf n GLY 120 Ca 0.12 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2jgf n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgf n GLY 121 N 5.00 0.52 2.40 -0.02 0.00 -1.26 -4.10 105.19 107.74 2jgf n GLY 121 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jgf n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgf n GLY 122 N 0.00 1.34 3.20 -0.02 0.00 -1.26 -0.61 105.19 107.85 2jgf n GLY 122 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2jgf n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgf n PHE 123 N -2.70 0.00 0.18 1.61 3.72 -1.26 -4.74 117.46 114.26 2jgf n PHE 123 Ca -0.14 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.28 2jgf n PHE 123 Cb 0.48 -1.22 -0.03 0.00 -0.94 0.00 0.00 39.48 37.77 2jgf n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jgf n TYR 124 N -2.15 0.00 -3.80 1.38 0.18 -0.57 -0.71 117.16 111.50 2jgf n TYR 124 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 2jgf n TYR 124 Cb 0.17 -0.03 -0.01 0.00 -0.38 0.00 0.00 39.34 39.09 2jgf n TYR 124 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2jgf n SER 125 N -1.27 -0.89 0.00 9.48 3.41 0.22 -4.11 113.62 120.47 2jgf n SER 125 Ca 0.00 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 2jgf n SER 125 Cb 0.10 1.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.66 2jgf n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jgf n GLY 126 N -0.34 2.53 3.62 5.00 0.00 -1.26 -4.01 105.19 110.73 2jgf n GLY 126 Ca -0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 2jgf n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgf s ALA 127 N -2.17 -2.03 -2.00 4.61 0.00 -1.26 -4.65 121.76 114.26 2jgf s ALA 127 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2jgf s ALA 127 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2jgf s ALA 127 CO 0.00 -0.24 0.93 0.00 0.00 0.00 0.00 175.76 176.45 2jgf n ALA 128 N 1.22 2.43 0.11 0.00 0.00 -1.26 -3.48 120.51 119.53 2jgf n ALA 128 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2jgf n ALA 128 Cb 0.57 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.05 2jgf n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jgf n SER 129 N -0.50 1.63 -4.75 0.00 3.41 -1.26 -4.88 113.62 107.27 2jgf n SER 129 Ca 0.00 -1.40 -0.36 0.00 -0.26 0.00 0.00 58.87 56.85 2jgf n SER 129 Cb 0.00 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2jgf n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jgf s LEU 130 N -0.53 3.65 0.36 1.04 1.43 -1.23 -4.91 118.68 118.49 2jgf s LEU 130 Ca 0.06 2.39 0.07 0.00 -1.03 0.00 0.00 54.13 55.61 2jgf s LEU 130 Cb 0.04 -4.60 0.76 0.00 0.03 0.00 0.00 46.19 42.42 2jgf s LEU 130 CO 0.05 -1.61 1.93 0.44 0.23 0.00 0.00 176.35 177.39 2jgf h ASP 131 N 0.85 0.67 0.60 2.29 3.32 -1.95 -2.00 116.42 120.21 2jgf h ASP 131 Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jgf h ASP 131 Cb 1.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jgf h ASP 131 CO 0.55 0.40 0.00 -0.37 -1.72 0.00 0.00 179.24 178.10 2jgf h VAL 132 N 0.74 0.00 -0.61 -1.35 -1.51 -1.91 -1.99 116.25 109.63 2jgf h VAL 132 Ca 0.36 -0.27 -0.14 0.00 -1.23 0.00 0.00 66.70 65.43 2jgf h VAL 132 Cb 0.42 1.15 -0.08 0.00 -2.13 0.00 0.00 31.29 30.65 2jgf h VAL 132 CO -0.14 0.00 0.15 -1.22 -1.23 0.00 0.00 177.57 175.13 2jgf n TYR 133 N -2.80 2.06 -2.19 5.19 4.01 -0.75 -4.43 117.16 118.24 2jgf n TYR 133 Ca -0.00 -1.09 -0.42 0.00 -0.16 0.00 0.00 57.90 56.23 2jgf n TYR 133 Cb 0.20 -0.58 -0.03 0.00 -0.31 0.00 0.00 39.34 38.62 2jgf n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jgf s ASP 134 N -1.24 6.80 0.00 7.72 -1.08 -0.75 -4.91 116.67 123.21 2jgf s ASP 134 Ca 0.52 2.03 0.17 0.00 -0.52 0.00 0.00 52.55 54.76 2jgf s ASP 134 Cb 0.42 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.90 2jgf s ASP 134 CO 0.12 -0.83 1.43 0.61 0.52 0.00 0.00 175.17 177.03 2jgf n GLY 135 N 3.85 0.57 0.24 2.66 0.00 -1.26 -4.36 105.19 106.89 2jgf n GLY 135 Ca 0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 2jgf n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgf h ARG 136 N 2.34 0.84 0.06 1.61 0.11 -1.91 -1.63 114.38 115.81 2jgf h ARG 136 Ca 0.00 -0.49 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 2jgf h ARG 136 Cb 0.52 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2jgf h ARG 136 CO 0.00 1.13 -0.03 0.74 0.10 0.00 0.00 179.97 181.91 2jgf h PHE 137 N 0.63 -0.07 -0.96 4.08 0.04 -1.78 0.13 116.94 119.01 2jgf h PHE 137 Ca 0.03 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.90 2jgf h PHE 137 Cb 1.03 0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.13 2jgf h PHE 137 CO 0.07 0.19 0.61 -0.07 -0.60 0.00 0.00 178.31 178.52 2jgf h LEU 138 N -0.33 0.91 -0.43 1.54 3.38 -1.69 0.11 115.31 118.80 2jgf h LEU 138 Ca -0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2jgf h LEU 138 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2jgf h LEU 138 CO 0.01 0.53 -0.01 0.00 0.09 0.00 0.00 178.44 179.07 2jgf h ALA 139 N 1.52 0.57 0.11 1.53 0.00 -0.88 -2.57 119.26 119.55 2jgf h ALA 139 Ca 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jgf h ALA 139 Cb 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jgf h ALA 139 CO -0.20 0.37 -0.05 0.37 0.00 0.00 0.00 179.25 179.73 2jgf h GLN 140 N 0.59 -0.15 -0.55 0.00 -0.00 -0.04 -2.27 115.11 112.68 2jgf h GLN 140 Ca 0.12 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.74 2jgf h GLN 140 Cb 0.50 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.99 2jgf h GLN 140 CO 0.02 -0.08 0.18 0.28 0.00 0.00 0.00 178.83 179.23 2jgf h VAL 141 N -1.04 1.23 -0.01 2.39 2.07 -0.95 -3.29 116.25 116.65 2jgf h VAL 141 Ca -0.02 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2jgf h VAL 141 Cb 0.13 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2jgf h VAL 141 CO 0.03 0.29 -0.24 -0.62 0.02 0.00 0.00 177.57 177.05 2jgf n GLU 142 N -4.46 1.67 -1.41 1.57 -0.58 -1.03 -4.98 120.64 111.43 2jgf n GLU 142 Ca 0.03 -0.86 -0.11 0.00 -0.42 0.00 0.00 57.16 55.80 2jgf n GLU 142 Cb 0.19 -1.23 -0.04 0.00 -0.57 0.00 0.00 31.44 29.80 2jgf n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgf n GLY 143 N 1.03 1.06 3.72 0.62 0.00 -0.86 -4.98 105.19 105.78 2jgf n GLY 143 Ca 0.06 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2jgf n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgf s ALA 144 N -2.41 3.22 -0.38 4.61 0.00 -1.00 -4.69 121.76 121.11 2jgf s ALA 144 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 2jgf s ALA 144 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2jgf s ALA 144 CO 0.00 -0.20 1.22 0.08 0.00 0.00 0.00 175.76 176.86 2jgf s VAL 145 N 0.65 4.21 -0.18 0.00 1.01 -1.22 -3.83 120.40 121.04 2jgf s VAL 145 Ca 0.51 1.32 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 2jgf s VAL 145 Cb -0.23 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2jgf s VAL 145 CO 0.29 -0.69 -0.01 -0.22 0.00 0.00 0.00 175.10 174.48 2jgf s LEU 146 N 4.40 3.32 -0.09 3.92 2.96 0.20 -1.50 118.68 131.89 2jgf s LEU 146 Ca 0.52 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 2jgf s LEU 146 Cb -0.12 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2jgf s LEU 146 CO 0.25 0.12 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.52 2jgf s VAL 147 N 0.66 2.52 0.05 1.68 1.01 0.61 -0.35 120.40 126.57 2jgf s VAL 147 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.15 2jgf s VAL 147 Cb -0.14 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2jgf s VAL 147 CO 0.02 0.56 -0.15 -0.94 0.00 0.00 0.00 175.10 174.59 2jgf s SER 148 N -0.00 1.75 0.12 3.32 1.04 0.07 0.06 113.70 120.06 2jgf s SER 148 Ca -0.06 -0.50 0.07 0.00 0.48 0.00 0.00 55.95 55.94 2jgf s SER 148 Cb -0.15 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 2jgf s SER 148 CO 0.05 0.02 -0.18 0.00 0.98 0.00 0.00 173.24 174.11 2jgf s MET 149 N -1.29 1.12 0.24 4.02 0.23 -1.25 0.76 119.30 123.12 2jgf s MET 149 Ca 0.01 -1.24 -0.19 0.00 -1.03 0.00 0.00 55.69 53.24 2jgf s MET 149 Cb -0.08 -1.19 -0.08 0.00 -1.53 0.00 0.00 34.83 31.95 2jgf s MET 149 CO 0.02 0.25 0.73 -0.80 -2.03 0.00 0.00 175.02 173.18 2jgf s ASN 150 N -2.28 7.01 0.02 -1.18 0.01 0.46 -4.45 114.94 114.54 2jgf s ASN 150 Ca 0.09 1.40 0.01 0.00 -0.71 0.00 0.00 52.86 53.64 2jgf s ASN 150 Cb -0.07 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 2jgf s ASN 150 CO 0.04 -0.01 -0.04 -0.72 -1.51 0.00 0.00 177.10 174.87 2jgf s TYR 151 N -1.60 0.36 0.44 2.20 1.13 -1.26 -4.46 117.35 114.16 2jgf s TYR 151 Ca 0.45 -0.49 -0.25 0.00 -1.41 0.00 0.00 57.07 55.37 2jgf s TYR 151 Cb -0.16 -0.24 -0.08 0.00 -1.10 0.00 0.00 41.96 40.38 2jgf s TYR 151 CO 0.20 -0.15 1.35 1.03 -2.51 0.00 0.00 175.55 175.47 2jgf s ARG 152 N -1.40 3.78 0.47 -3.49 0.52 -1.26 -4.85 118.95 112.73 2jgf s ARG 152 Ca -0.13 2.24 0.02 0.00 -0.52 0.00 0.00 55.73 57.35 2jgf s ARG 152 Cb -0.09 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.70 2jgf s ARG 152 CO -0.01 -0.67 0.08 0.14 0.02 0.00 0.00 175.30 174.86 2jgf s VAL 153 N -1.26 0.73 0.00 3.52 -7.23 -1.26 -4.27 120.40 110.63 2jgf s VAL 153 Ca 0.60 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2jgf s VAL 153 Cb -0.40 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2jgf s VAL 153 CO 0.51 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 2jgf n GLY 154 N -1.12 1.56 0.37 2.32 0.00 0.12 -1.71 105.19 106.73 2jgf n GLY 154 Ca -0.13 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.43 2jgf n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgf h THR 155 N 0.00 1.04 -0.15 2.61 1.35 -1.90 -0.44 112.91 115.43 2jgf h THR 155 Ca 0.00 -0.35 -0.05 0.00 -0.55 0.00 0.00 66.41 65.46 2jgf h THR 155 Cb 0.00 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.33 2jgf h THR 155 CO 0.00 0.19 -0.12 -0.26 -0.25 0.00 0.00 175.52 175.07 2jgf h PHE 156 N 1.03 0.24 0.00 4.73 0.04 -1.81 -0.95 116.94 120.22 2jgf h PHE 156 Ca 0.41 -0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.96 2jgf h PHE 156 Cb 0.26 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 2jgf h PHE 156 CO -0.00 0.36 -2.12 0.41 -0.60 0.00 0.00 178.31 176.35 2jgf n GLY 157 N -0.90 -1.02 0.00 -1.45 0.00 -0.69 -4.10 105.19 97.02 2jgf n GLY 157 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2jgf n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgf n PHE 158 N -2.57 0.00 -1.69 1.61 3.72 -0.21 -1.07 117.46 117.26 2jgf n PHE 158 Ca -0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 2jgf n PHE 158 Cb 0.89 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.40 2jgf n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jgf s LEU 159 N -0.65 4.13 -0.03 4.37 0.20 -0.37 -4.48 118.68 121.85 2jgf s LEU 159 Ca 0.00 2.39 0.06 0.00 0.69 0.00 0.00 54.13 57.28 2jgf s LEU 159 Cb 0.00 -3.52 -0.01 0.00 -0.43 0.00 0.00 46.19 42.22 2jgf s LEU 159 CO 0.00 -1.31 -0.23 0.00 -0.29 0.00 0.00 176.35 174.52 2jgf s ALA 160 N 5.55 1.94 -0.76 5.97 0.00 -1.26 -4.29 121.76 128.91 2jgf s ALA 160 Ca 0.91 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 2jgf s ALA 160 Cb -0.39 -0.55 0.20 0.00 0.00 0.00 0.00 23.12 22.37 2jgf s ALA 160 CO 0.39 0.42 0.64 -0.51 0.00 0.00 0.00 175.76 176.70 2jgf s LEU 161 N -0.33 5.92 0.22 0.00 1.43 0.78 -3.75 118.68 122.95 2jgf s LEU 161 Ca 0.03 -2.93 -0.31 0.00 -1.03 0.00 0.00 54.13 49.88 2jgf s LEU 161 Cb -0.11 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 43.95 2jgf s LEU 161 CO 0.01 -0.42 1.29 -2.65 0.23 0.00 0.00 176.35 174.81 2jgf n PRO 162 N 3.50 1.69 0.00 1.29 -0.02 -1.26 -1.12 135.00 139.08 2jgf n PRO 162 Ca 0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2jgf n PRO 162 Cb 0.41 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2jgf n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgf n GLY 163 N 2.00 3.15 3.72 -1.23 0.00 -1.26 -5.03 105.19 106.54 2jgf n GLY 163 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2jgf n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jgf s SER 164 N -0.47 3.69 0.02 1.61 1.04 -0.27 -4.99 113.70 114.33 2jgf s SER 164 Ca 0.00 1.66 0.09 0.00 0.48 0.00 0.00 55.95 58.19 2jgf s SER 164 Cb 0.00 -2.33 -0.23 0.00 0.10 0.00 0.00 66.02 63.56 2jgf s SER 164 CO 0.00 -2.53 0.91 -0.09 0.98 0.00 0.00 173.24 172.51 2jgf h ARG 165 N -1.47 0.02 -0.00 4.02 2.43 -1.96 -3.36 114.38 114.06 2jgf h ARG 165 Ca -0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2jgf h ARG 165 Cb 1.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2jgf h ARG 165 CO 0.52 0.74 -0.85 -0.85 -1.51 0.00 0.00 179.97 178.02 2jgf n GLU 166 N -3.20 0.07 -2.96 0.20 0.00 -1.26 -4.47 120.64 109.03 2jgf n GLU 166 Ca -0.10 -0.05 -0.15 0.00 0.00 0.00 0.00 57.16 56.85 2jgf n GLU 166 Cb 1.01 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.95 2jgf n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgf n ALA 167 N -1.42 0.41 0.35 -1.84 0.00 -1.26 -4.31 120.51 112.43 2jgf n ALA 167 Ca 0.05 -2.34 0.09 0.00 0.00 0.00 0.00 53.44 51.24 2jgf n ALA 167 Cb 0.34 -1.09 0.41 0.00 0.00 0.00 0.00 19.45 19.11 2jgf n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jgf n PRO 168 N 1.39 0.12 0.00 0.00 -0.04 -1.26 -0.16 135.00 135.05 2jgf n PRO 168 Ca 0.15 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 2jgf n PRO 168 Cb 0.59 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2jgf n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jgf n GLY 169 N -0.35 -1.03 2.42 0.55 0.00 -1.26 -4.68 105.19 100.84 2jgf n GLY 169 Ca 0.02 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 2jgf n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jgf n ASN 170 N -1.64 -4.93 0.08 1.61 5.03 -1.26 -4.88 115.26 109.27 2jgf n ASN 170 Ca 0.00 0.09 -0.09 0.00 0.87 0.00 0.00 54.58 55.45 2jgf n ASN 170 Cb 0.00 -4.14 0.01 0.00 -1.02 0.00 0.00 39.78 34.62 2jgf n ASN 170 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 2jgf h VAL 171 N 0.00 1.45 -0.80 2.41 -1.51 -1.59 -1.81 116.25 114.41 2jgf h VAL 171 Ca -0.40 -2.45 0.15 0.00 -1.23 0.00 0.00 66.70 62.77 2jgf h VAL 171 Cb 1.29 2.36 -0.06 0.00 -2.13 0.00 0.00 31.29 32.75 2jgf h VAL 171 CO 0.47 0.72 0.53 1.23 -1.23 0.00 0.00 177.57 179.29 2jgf h GLY 172 N 1.63 0.84 1.70 5.19 0.00 -1.29 0.42 103.07 111.57 2jgf h GLY 172 Ca -0.04 -0.21 -0.23 0.00 0.00 0.00 0.00 47.33 46.85 2jgf h GLY 172 CO 0.13 0.07 -1.00 1.41 0.00 0.00 0.00 176.54 177.15 2jgf h LEU 173 N 0.49 0.35 -0.86 3.11 3.38 -1.62 -2.59 115.31 117.56 2jgf h LEU 173 Ca 0.39 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2jgf h LEU 173 Cb 0.82 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2jgf h LEU 173 CO -0.14 1.15 -0.49 -0.07 0.09 0.00 0.00 178.44 178.98 2jgf h LEU 174 N 0.12 0.21 -0.25 1.67 3.38 -0.37 -0.46 115.31 119.61 2jgf h LEU 174 Ca -0.07 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2jgf h LEU 174 Cb 1.67 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 2jgf h LEU 174 CO 0.16 0.67 0.01 0.44 0.09 0.00 0.00 178.44 179.81 2jgf h ASP 175 N 0.16 -0.07 -0.25 -0.43 3.32 -0.07 0.19 116.42 119.27 2jgf h ASP 175 Ca 0.01 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.12 2jgf h ASP 175 Cb 0.92 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2jgf h ASP 175 CO 0.07 -0.00 0.15 1.56 -1.72 0.00 0.00 179.24 179.30 2jgf h GLN 176 N 0.09 0.30 -0.67 3.56 4.20 -1.15 -1.99 115.11 119.44 2jgf h GLN 176 Ca 0.12 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.85 2jgf h GLN 176 Cb 0.14 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 2jgf h GLN 176 CO -0.18 0.20 0.40 -0.09 -0.67 0.00 0.00 178.83 178.48 2jgf h ARG 177 N 0.30 0.74 -0.63 1.46 2.43 -0.58 -0.51 114.38 117.60 2jgf h ARG 177 Ca 0.10 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2jgf h ARG 177 Cb -0.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2jgf h ARG 177 CO -0.04 0.49 0.36 1.25 -1.51 0.00 0.00 179.97 180.52 2jgf h LEU 178 N 0.77 0.76 -0.75 3.80 5.85 -0.42 0.16 115.31 125.47 2jgf h LEU 178 Ca 0.28 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2jgf h LEU 178 Cb 0.09 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2jgf h LEU 178 CO -0.14 0.60 -0.30 0.00 -0.34 0.00 0.00 178.44 178.27 2jgf h ALA 179 N 1.52 0.93 -0.48 1.25 0.00 -0.51 0.30 119.26 122.28 2jgf h ALA 179 Ca 0.23 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2jgf h ALA 179 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jgf h ALA 179 CO -0.04 0.62 0.03 -0.07 0.00 0.00 0.00 179.25 179.79 2jgf h LEU 180 N 0.52 0.81 -0.52 0.00 3.38 -0.18 -0.74 115.31 118.57 2jgf h LEU 180 Ca 0.06 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2jgf h LEU 180 Cb 0.78 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2jgf h LEU 180 CO 0.06 0.90 0.30 1.56 0.09 0.00 0.00 178.44 181.35 2jgf h GLN 181 N 0.69 0.57 -1.00 1.13 4.20 -0.43 -1.58 115.11 118.69 2jgf h GLN 181 Ca 0.14 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.89 2jgf h GLN 181 Cb 0.46 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 2jgf h GLN 181 CO 0.02 0.38 0.64 2.35 -0.67 0.00 0.00 178.83 181.55 2jgf h TRP 182 N 0.59 1.19 -0.24 2.96 7.01 -0.08 -2.19 115.95 125.19 2jgf h TRP 182 Ca 0.22 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 2jgf h TRP 182 Cb 0.06 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 26.72 2jgf h TRP 182 CO -0.07 0.60 0.07 0.28 -2.79 0.00 0.00 178.44 176.52 2jgf h VAL 183 N 1.15 1.20 -0.86 2.65 2.07 -0.34 -0.05 116.25 122.07 2jgf h VAL 183 Ca 0.44 -0.63 0.12 0.00 0.82 0.00 0.00 66.70 67.45 2jgf h VAL 183 Cb 0.21 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 2jgf h VAL 183 CO -0.18 0.20 0.48 1.56 0.02 0.00 0.00 177.57 179.65 2jgf h GLN 184 N 0.22 0.71 0.00 1.57 1.08 -0.73 -0.07 115.11 117.89 2jgf h GLN 184 Ca 0.08 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.09 2jgf h GLN 184 Cb 0.25 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2jgf h GLN 184 CO -0.00 0.47 -0.99 0.93 -0.95 0.00 0.00 178.83 178.29 2jgf h GLU 185 N 0.73 0.00 0.00 1.46 5.08 -1.23 -3.41 114.58 117.21 2jgf h GLU 185 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2jgf h GLU 185 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2jgf h GLU 185 CO -0.31 0.45 -0.76 0.09 -1.00 0.00 0.00 179.01 177.49 2jgf n ASN 186 N -3.08 3.80 0.12 1.42 3.02 -0.05 -4.80 115.26 115.69 2jgf n ASN 186 Ca -0.04 -0.10 0.02 0.00 -0.03 0.00 0.00 54.58 54.43 2jgf n ASN 186 Cb 0.81 0.95 0.36 0.00 -0.61 0.00 0.00 39.78 41.29 2jgf n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jgf h ILE 187 N 0.00 1.21 -0.92 2.41 6.09 -1.18 -1.99 117.51 123.12 2jgf h ILE 187 Ca 0.00 -0.94 0.16 0.00 -1.37 0.00 0.00 64.86 62.71 2jgf h ILE 187 Cb 0.00 1.33 -0.08 0.00 0.47 0.00 0.00 36.82 38.54 2jgf h ILE 187 CO 0.00 0.29 0.59 0.00 -3.07 0.00 0.00 178.15 175.96 2jgf h ALA 188 N 1.60 1.85 -0.22 0.18 0.00 -1.78 0.11 119.26 121.00 2jgf h ALA 188 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jgf h ALA 188 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jgf h ALA 188 CO 0.03 -0.13 0.28 0.00 0.00 0.00 0.00 179.25 179.43 2jgf h ALA 189 N 1.60 1.81 -0.02 0.00 0.00 -1.66 0.40 119.26 121.39 2jgf h ALA 189 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2jgf h ALA 189 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jgf h ALA 189 CO -0.24 -0.39 -0.39 1.19 0.00 0.00 0.00 179.25 179.43 2jgf n PHE 190 N -3.65 0.00 -0.78 0.00 3.01 0.30 -4.86 117.46 111.48 2jgf n PHE 190 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2jgf n PHE 190 Cb 0.40 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 2jgf n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgf n GLY 191 N 1.40 0.60 3.82 1.37 0.00 0.14 -4.47 105.19 108.05 2jgf n GLY 191 Ca 0.10 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2jgf n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jgf s GLY 192 N -2.11 2.22 -0.43 -0.02 0.00 -0.79 -0.65 107.32 105.54 2jgf s GLY 192 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 44.72 44.92 2jgf s GLY 192 CO 0.00 0.65 0.34 -0.35 0.00 0.00 0.00 173.10 173.74 2jgf s ASP 193 N -2.63 6.13 0.17 1.64 -1.08 0.28 -3.22 116.67 117.96 2jgf s ASP 193 Ca 0.62 -0.99 0.18 0.00 -0.52 0.00 0.00 52.55 51.84 2jgf s ASP 193 Cb -0.13 -2.17 0.80 0.00 -1.46 0.00 0.00 42.92 39.96 2jgf s ASP 193 CO 0.27 -0.52 1.55 -0.81 0.52 0.00 0.00 175.17 176.18 2jgf n PRO 194 N 5.22 0.11 0.00 4.34 -0.04 -1.26 -1.74 135.00 141.64 2jgf n PRO 194 Ca -0.11 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2jgf n PRO 194 Cb 0.46 -1.75 0.39 0.00 -0.04 0.00 0.00 33.50 32.56 2jgf n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jgf n MET 195 N -1.96 0.76 -3.62 0.54 2.81 -1.26 -4.29 117.12 110.09 2jgf n MET 195 Ca 0.01 -0.43 -0.28 0.00 -1.81 0.00 0.00 57.70 55.19 2jgf n MET 195 Cb 0.14 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.05 2jgf n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgf s SER 196 N -2.54 3.05 -0.24 7.83 0.15 -0.71 -4.89 113.70 116.36 2jgf s SER 196 Ca 0.24 -3.09 -0.03 0.00 0.70 0.00 0.00 55.95 53.76 2jgf s SER 196 Cb 0.19 -0.92 0.01 0.00 -1.71 0.00 0.00 66.02 63.59 2jgf s SER 196 CO 0.53 -0.18 -0.04 -0.69 1.20 0.00 0.00 173.24 174.05 2jgf s VAL 197 N -0.19 3.20 -0.19 4.45 1.01 -1.26 -0.39 120.40 127.03 2jgf s VAL 197 Ca 0.25 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 2jgf s VAL 197 Cb -0.08 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2jgf s VAL 197 CO -0.12 0.31 0.06 -0.89 0.00 0.00 0.00 175.10 174.45 2jgf s THR 198 N 1.42 4.61 0.14 3.92 2.01 0.35 -0.48 115.64 127.62 2jgf s THR 198 Ca 0.03 -0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 2jgf s THR 198 Cb -0.15 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.19 2jgf s THR 198 CO -0.03 0.44 0.61 -0.76 -0.69 0.00 0.00 174.62 174.18 2jgf s LEU 199 N 0.62 4.40 0.04 4.42 1.43 0.19 -0.45 118.68 129.33 2jgf s LEU 199 Ca 0.03 1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 54.30 2jgf s LEU 199 Cb -0.13 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 2jgf s LEU 199 CO 0.02 0.14 0.13 0.72 0.23 0.00 0.00 176.35 177.59 2jgf s PHE 200 N -1.36 0.14 -0.02 0.29 -0.71 0.27 -0.31 117.98 116.28 2jgf s PHE 200 Ca 0.36 -0.41 -0.30 0.00 -1.04 0.00 0.00 56.93 55.54 2jgf s PHE 200 Cb -0.17 -0.10 0.11 0.00 -1.21 0.00 0.00 43.02 41.65 2jgf s PHE 200 CO 0.20 -0.39 1.05 0.20 -1.34 0.00 0.00 175.22 174.94 2jgf s GLY 201 N -2.10 -0.36 -0.29 1.99 0.00 -1.07 -1.20 107.32 104.28 2jgf s GLY 201 Ca -0.05 0.90 0.14 0.00 0.00 0.00 0.00 44.72 45.71 2jgf s GLY 201 CO -0.04 0.27 1.14 -2.21 0.00 0.00 0.00 173.10 172.26 2jgf n GLU 202 N -0.30 2.68 0.00 2.90 0.00 -1.23 -1.46 120.64 123.23 2jgf n GLU 202 Ca -0.06 -3.86 0.00 0.00 0.00 0.00 0.00 57.16 53.24 2jgf n GLU 202 Cb 0.61 -1.94 0.00 0.00 0.00 0.00 0.00 31.44 30.11 2jgf n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgf n ALA 204 N -0.62 0.00 -0.23 4.31 0.00 -1.26 -2.47 120.51 120.24 2jgf n ALA 204 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.73 2jgf n ALA 204 Cb 0.87 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.59 2jgf n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jgf h GLY 205 N 0.00 1.09 0.63 0.00 0.00 -1.65 0.62 103.07 103.76 2jgf h GLY 205 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2jgf h GLY 205 CO 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 176.54 176.81 2jgf h ALA 206 N 1.54 -0.19 -0.92 3.60 0.00 -1.59 0.15 119.26 121.85 2jgf h ALA 206 Ca 0.31 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.24 2jgf h ALA 206 Cb 0.03 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 2jgf h ALA 206 CO -0.09 -0.42 0.47 0.00 0.00 0.00 0.00 179.25 179.22 2jgf h ALA 207 N 0.22 1.51 -0.31 0.00 0.00 -1.64 0.10 119.26 119.15 2jgf h ALA 207 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jgf h ALA 207 Cb 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jgf h ALA 207 CO 0.03 -0.24 0.10 0.77 0.00 0.00 0.00 179.25 179.91 2jgf h SER 208 N 0.53 0.44 -0.45 0.00 0.02 0.49 0.36 113.55 114.94 2jgf h SER 208 Ca 0.56 -0.20 0.08 0.00 -0.84 0.00 0.00 61.79 61.39 2jgf h SER 208 Cb 1.00 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.36 2jgf h SER 208 CO -0.47 0.53 0.04 0.58 -1.14 0.00 0.00 176.83 176.37 2jgf h VAL 209 N 0.34 0.70 -0.63 2.27 2.07 -0.06 -0.59 116.25 120.35 2jgf h VAL 209 Ca 0.10 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2jgf h VAL 209 Cb 0.24 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2jgf h VAL 209 CO -0.00 0.03 0.42 1.23 0.02 0.00 0.00 177.57 179.26 2jgf h GLY 210 N 0.16 0.88 1.67 2.17 0.00 -0.58 -0.25 103.07 107.12 2jgf h GLY 210 Ca 0.22 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 2jgf h GLY 210 CO -0.34 0.31 -0.51 -0.33 0.00 0.00 0.00 176.54 175.68 2jgf h MET 211 N 0.83 0.35 -0.38 4.80 2.86 -0.02 -1.10 114.93 122.26 2jgf h MET 211 Ca 0.23 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2jgf h MET 211 Cb -0.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2jgf h MET 211 CO -0.05 0.78 -0.06 0.45 1.06 0.00 0.00 176.91 179.09 2jgf h HIS 212 N 0.28 0.68 -0.92 -0.22 3.86 0.16 -0.34 115.15 118.64 2jgf h HIS 212 Ca 0.01 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2jgf h HIS 212 Cb 0.99 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 29.23 2jgf h HIS 212 CO 0.03 0.68 0.61 0.82 0.86 0.00 0.00 177.93 180.93 2jgf h ILE 213 N 0.59 1.24 -0.13 2.45 2.04 -0.68 -2.96 117.51 120.06 2jgf h ILE 213 Ca 0.11 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2jgf h ILE 213 Cb 0.46 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2jgf h ILE 213 CO 0.02 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.58 2jgf n LEU 214 N -4.44 1.45 -4.04 1.44 4.77 -0.46 -4.74 117.00 110.98 2jgf n LEU 214 Ca 0.10 -0.59 -0.31 0.00 -0.03 0.00 0.00 56.01 55.18 2jgf n LEU 214 Cb 0.01 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 2jgf n LEU 214 CO 0.37 0.29 -0.47 -0.55 -1.33 0.00 0.00 177.39 175.70 2jgf s SER 215 N -1.64 3.74 0.17 -1.43 0.15 -0.24 -4.80 113.70 109.66 2jgf s SER 215 Ca 0.33 -1.04 -0.16 0.00 0.70 0.00 0.00 55.95 55.78 2jgf s SER 215 Cb 0.18 -1.38 0.12 0.00 -1.71 0.00 0.00 66.02 63.22 2jgf s SER 215 CO 0.27 -0.14 1.69 0.25 1.20 0.00 0.00 173.24 176.50 2jgf h LEU 216 N 7.90 -0.24 -0.87 3.45 5.85 -1.84 0.46 115.31 130.01 2jgf h LEU 216 Ca -0.27 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2jgf h LEU 216 Cb 1.08 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2jgf h LEU 216 CO 0.50 -0.08 0.00 -2.65 -0.34 0.00 0.00 178.44 175.87 2jgf n PRO 217 N -5.24 0.09 0.04 5.25 -0.02 -1.26 -0.64 135.00 133.22 2jgf n PRO 217 Ca 0.03 0.57 -0.04 0.00 -2.02 0.00 0.00 63.50 62.04 2jgf n PRO 217 Cb 0.22 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 2jgf n PRO 217 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2jgf h SER 218 N 0.00 0.00 0.02 2.55 0.02 -1.14 -3.38 113.55 111.62 2jgf h SER 218 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jgf h SER 218 Cb 0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2jgf h SER 218 CO 0.00 0.81 -0.01 0.03 -1.14 0.00 0.00 176.83 176.52 2jgf h ARG 219 N 0.00 0.00 0.00 3.45 2.47 -0.81 -0.16 114.38 119.33 2jgf h ARG 219 Ca -0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2jgf h ARG 219 Cb 1.73 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 2jgf h ARG 219 CO 0.08 0.01 0.00 -1.13 0.56 0.00 0.00 179.97 179.50 2jgf n SER 220 N -4.32 0.00 -0.03 7.04 3.41 -1.25 -3.80 113.62 114.67 2jgf n SER 220 Ca -0.03 -1.14 0.02 0.00 -0.26 0.00 0.00 58.87 57.46 2jgf n SER 220 Cb 0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 2jgf n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgf n LEU 221 N -0.77 0.38 -3.94 1.04 4.77 -0.07 -5.02 117.00 113.38 2jgf n LEU 221 Ca 0.10 -0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 55.42 2jgf n LEU 221 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 2jgf n LEU 221 CO 0.07 0.09 0.05 0.72 -1.33 0.00 0.00 177.39 176.99 2jgf s PHE 222 N -1.30 0.35 -0.02 -1.77 -0.71 -1.25 -4.85 117.98 108.44 2jgf s PHE 222 Ca 0.02 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.22 2jgf s PHE 222 Cb 0.04 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 2jgf s PHE 222 CO 0.17 -0.79 0.02 0.72 -1.34 0.00 0.00 175.22 174.00 2jgf n HIS 223 N -0.26 0.00 -3.61 3.49 8.25 0.37 -4.90 115.22 118.55 2jgf n HIS 223 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 2jgf n HIS 223 Cb 0.63 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.67 2jgf n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jgf s ARG 224 N -1.42 0.97 0.01 -0.41 0.52 -1.17 -4.28 118.95 113.17 2jgf s ARG 224 Ca 0.00 -0.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.96 2jgf s ARG 224 Cb 0.00 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.91 2jgf s ARG 224 CO 0.03 -0.34 0.02 0.00 0.02 0.00 0.00 175.30 175.03 2jgf s ALA 225 N -2.26 -0.02 -0.11 2.13 0.00 -0.96 -0.64 121.76 119.90 2jgf s ALA 225 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2jgf s ALA 225 Cb -0.01 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2jgf s ALA 225 CO -0.00 -0.14 -0.11 0.08 0.00 0.00 0.00 175.76 175.59 2jgf s VAL 226 N -1.14 1.21 -0.28 0.00 1.01 0.58 -1.42 120.40 120.36 2jgf s VAL 226 Ca -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2jgf s VAL 226 Cb -0.08 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.18 2jgf s VAL 226 CO -0.00 0.39 -0.04 -0.76 0.00 0.00 0.00 175.10 174.69 2jgf s LEU 227 N 1.37 3.59 -0.28 3.92 1.02 0.13 -2.60 118.68 125.83 2jgf s LEU 227 Ca -0.00 -1.17 -0.07 0.00 0.02 0.00 0.00 54.13 52.90 2jgf s LEU 227 Cb -0.14 -1.67 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 2jgf s LEU 227 CO -0.06 -0.21 0.08 -1.10 0.02 0.00 0.00 176.35 175.09 2jgf s GLN 228 N 1.25 3.34 -1.61 1.70 -0.21 -0.54 -2.32 119.66 121.28 2jgf s GLN 228 Ca -0.04 -0.69 -0.14 0.00 0.02 0.00 0.00 55.36 54.50 2jgf s GLN 228 Cb -0.19 -3.36 0.11 0.00 1.00 0.00 0.00 33.01 30.58 2jgf s GLN 228 CO -0.03 -0.34 0.79 0.43 -2.12 0.00 0.00 175.29 174.03 2jgf n SER 229 N 4.90 -3.28 -3.56 5.90 7.64 0.71 -4.18 113.62 121.74 2jgf n SER 229 Ca -0.15 -0.94 -0.07 0.00 1.01 0.00 0.00 58.87 58.72 2jgf n SER 229 Cb 0.49 -3.15 -0.03 0.00 -1.01 0.00 0.00 64.21 60.52 2jgf n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jgf s GLY 230 N -3.47 -0.32 0.05 0.23 0.00 -1.26 -4.78 107.32 97.78 2jgf s GLY 230 Ca 0.60 1.58 -0.16 0.00 0.00 0.00 0.00 44.72 46.74 2jgf s GLY 230 CO 0.89 0.61 0.37 -0.51 0.00 0.00 0.00 173.10 174.46 2jgf s THR 231 N -2.29 0.07 0.28 0.90 -4.23 -1.26 -4.17 115.64 104.94 2jgf s THR 231 Ca 0.06 -0.56 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 2jgf s THR 231 Cb -0.01 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.89 2jgf s THR 231 CO -0.05 -0.31 1.69 1.55 -0.54 0.00 0.00 174.62 176.96 2jgf h PRO 232 N 2.99 0.39 0.00 3.99 0.13 -1.82 -3.38 132.00 134.30 2jgf h PRO 232 Ca -0.32 -0.17 -0.40 0.00 -0.87 0.00 0.00 66.00 64.24 2jgf h PRO 232 Cb 1.21 -0.01 0.18 0.00 0.13 0.00 0.00 31.00 32.50 2jgf h PRO 232 CO 0.45 0.69 0.30 0.27 -0.23 0.00 0.00 178.00 179.47 2jgf n ASN 233 N -4.07 -0.68 0.00 1.44 6.94 -1.26 -4.51 115.26 113.12 2jgf n ASN 233 Ca -0.01 -1.35 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 2jgf n ASN 233 Cb 0.45 -0.97 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 2jgf n ASN 233 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jgf n GLY 234 N -3.75 0.11 0.22 4.83 0.00 -1.26 -4.61 105.19 100.73 2jgf n GLY 234 Ca 0.15 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.36 2jgf n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jgf h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.89 -3.36 132.00 128.49 2jgf h PRO 235 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2jgf h PRO 235 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2jgf h PRO 235 CO 0.00 0.25 -1.49 -2.67 -0.23 0.00 0.00 178.00 173.85 2jgf n TRP 236 N -3.51 0.00 0.19 1.56 4.27 -1.26 -4.72 117.44 113.97 2jgf n TRP 236 Ca -0.00 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.69 2jgf n TRP 236 Cb 0.41 -0.30 0.15 0.00 -1.36 0.00 0.00 31.31 30.21 2jgf n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgf h ALA 237 N 0.67 0.88 -2.26 -1.67 0.00 -1.82 -3.44 119.26 111.62 2jgf h ALA 237 Ca -0.10 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 2jgf h ALA 237 Cb 0.89 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.50 2jgf h ALA 237 CO 0.01 0.25 -0.68 0.95 0.00 0.00 0.00 179.25 179.77 2jgf s THR 238 N -3.16 0.54 0.14 0.00 -4.23 -1.26 -3.72 115.64 103.95 2jgf s THR 238 Ca 0.05 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 2jgf s THR 238 Cb 0.06 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 2jgf s THR 238 CO 0.69 -0.82 -0.10 0.68 -0.54 0.00 0.00 174.62 174.54 2jgf s VAL 239 N -3.73 1.08 0.73 2.29 -7.23 -0.63 -4.99 120.40 107.93 2jgf s VAL 239 Ca 0.13 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 2jgf s VAL 239 Cb 0.06 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.22 2jgf s VAL 239 CO -0.04 -0.77 1.07 -0.94 -0.31 0.00 0.00 175.10 174.11 2jgf s SER 240 N -3.14 5.01 0.16 4.85 1.04 -1.26 -1.16 113.70 119.19 2jgf s SER 240 Ca 0.16 1.66 -0.24 0.00 0.48 0.00 0.00 55.95 58.00 2jgf s SER 240 Cb 0.03 -2.47 0.03 0.00 0.10 0.00 0.00 66.02 63.71 2jgf s SER 240 CO -0.00 -1.69 1.60 0.00 0.98 0.00 0.00 173.24 174.13 2jgf h ALA 241 N -0.89 -0.26 -0.80 5.32 0.00 -1.93 -0.42 119.26 120.29 2jgf h ALA 241 Ca -0.44 0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.68 2jgf h ALA 241 Cb 1.22 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 2jgf h ALA 241 CO 0.55 -0.76 0.52 0.78 0.00 0.00 0.00 179.25 180.35 2jgf h GLY 242 N -0.30 0.93 1.68 0.00 0.00 -1.93 -0.68 103.07 102.78 2jgf h GLY 242 Ca 0.15 -0.25 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 2jgf h GLY 242 CO -0.49 0.10 -1.17 -2.09 0.00 0.00 0.00 176.54 172.89 2jgf h GLU 243 N 0.58 0.25 -0.23 4.80 4.57 -1.76 -2.96 114.58 119.82 2jgf h GLU 243 Ca 0.39 -0.40 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 2jgf h GLU 243 Cb 0.69 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2jgf h GLU 243 CO -0.15 1.17 -0.25 0.00 -1.18 0.00 0.00 179.01 178.61 2jgf h ALA 244 N 0.66 0.35 -0.84 2.92 0.00 -0.36 -2.40 119.26 119.59 2jgf h ALA 244 Ca -0.11 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 54.53 2jgf h ALA 244 Cb 1.89 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.53 2jgf h ALA 244 CO 0.19 0.32 0.47 -0.09 0.00 0.00 0.00 179.25 180.14 2jgf h ARG 245 N 0.28 0.73 -0.43 0.00 2.43 -1.24 -0.83 114.38 115.32 2jgf h ARG 245 Ca 0.04 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2jgf h ARG 245 Cb 0.81 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2jgf h ARG 245 CO 0.06 0.48 -0.23 -0.09 -1.51 0.00 0.00 179.97 178.68 2jgf h ARG 246 N 0.75 0.91 -0.15 0.20 2.43 -1.34 0.20 114.38 117.38 2jgf h ARG 246 Ca 0.42 -0.41 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 2jgf h ARG 246 Cb 0.46 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2jgf h ARG 246 CO -0.28 1.06 -0.64 0.00 -1.51 0.00 0.00 179.97 178.60 2jgf h ARG 247 N 0.74 0.56 0.01 0.20 3.08 -1.17 0.96 114.38 118.76 2jgf h ARG 247 Ca 0.09 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2jgf h ARG 247 Cb 0.80 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2jgf h ARG 247 CO 0.07 1.02 -0.00 0.00 -1.07 0.00 0.00 179.97 179.98 2jgf h ALA 248 N 0.88 -0.01 -0.53 0.04 0.00 -0.94 0.23 119.26 118.93 2jgf h ALA 248 Ca -0.01 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.83 2jgf h ALA 248 Cb 1.21 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2jgf h ALA 248 CO 0.12 -0.35 0.12 1.15 0.00 0.00 0.00 179.25 180.29 2jgf h THR 249 N -0.33 0.71 -0.50 0.00 2.02 -0.61 -0.83 112.91 113.38 2jgf h THR 249 Ca -0.00 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 2jgf h THR 249 Cb 0.33 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2jgf h THR 249 CO 0.00 0.05 0.02 0.25 0.37 0.00 0.00 175.52 176.21 2jgf h LEU 250 N 0.26 0.78 -0.36 2.58 5.85 -0.48 -2.05 115.31 121.89 2jgf h LEU 250 Ca 0.27 -0.18 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 2jgf h LEU 250 Cb 0.36 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2jgf h LEU 250 CO -0.34 0.83 -0.56 0.25 -0.34 0.00 0.00 178.44 178.29 2jgf h LEU 251 N 0.76 0.86 0.75 2.25 5.85 -0.07 -1.46 115.31 124.26 2jgf h LEU 251 Ca 0.15 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2jgf h LEU 251 Cb 0.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jgf h LEU 251 CO 0.02 1.24 -0.48 0.00 -0.34 0.00 0.00 178.44 178.87 2jgf h ALA 252 N 0.78 -1.26 -0.73 1.25 0.00 -0.98 -1.21 119.26 117.11 2jgf h ALA 252 Ca 0.01 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.84 2jgf h ALA 252 Cb 1.15 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 19.43 2jgf h ALA 252 CO 0.12 -1.22 0.08 -0.09 0.00 0.00 0.00 179.25 178.14 2jgf h ARG 253 N -1.16 0.16 -0.27 0.00 2.43 -1.39 0.31 114.38 114.46 2jgf h ARG 253 Ca -0.10 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2jgf h ARG 253 Cb 0.94 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2jgf h ARG 253 CO 0.09 0.11 0.20 -0.07 -1.51 0.00 0.00 179.97 178.78 2jgf h LEU 254 N 0.17 0.02 -2.88 3.80 3.38 -0.71 -0.50 115.31 118.59 2jgf h LEU 254 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2jgf h LEU 254 Cb 0.71 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jgf h LEU 254 CO -0.58 0.01 0.00 1.33 0.09 0.00 0.00 178.44 179.29 2jgf n VAL 255 N -4.46 1.22 -1.77 1.22 0.24 0.93 -4.98 118.33 110.73 2jgf n VAL 255 Ca 0.03 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 2jgf n VAL 255 Cb 0.34 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 2jgf n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgf n GLY 256 N 1.25 0.60 0.00 7.63 0.00 -0.17 -5.05 105.19 109.44 2jgf n GLY 256 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2jgf n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgf n ASN 265 N 0.00 -0.71 0.30 0.00 2.85 -1.26 -4.24 115.26 112.19 2jgf n ASN 265 Ca 0.00 1.04 -0.17 0.00 -0.11 0.00 0.00 54.58 55.34 2jgf n ASN 265 Cb 0.00 -1.79 -0.08 0.00 1.24 0.00 0.00 39.78 39.15 2jgf n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jgf h ASP 266 N 3.20 -0.79 -0.80 1.20 3.32 -2.00 -2.33 116.42 118.22 2jgf h ASP 266 Ca 0.00 0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.29 2jgf h ASP 266 Cb 0.00 0.23 -0.13 0.00 0.22 0.00 0.00 39.33 39.65 2jgf h ASP 266 CO 0.00 -0.50 0.13 0.74 -1.72 0.00 0.00 179.24 177.90 2jgf h THR 267 N -0.79 0.37 -0.16 0.35 2.02 -2.01 0.10 112.91 112.80 2jgf h THR 267 Ca -0.06 -0.06 -0.18 0.00 0.77 0.00 0.00 66.41 66.88 2jgf h THR 267 Cb 0.64 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2jgf h THR 267 CO 0.06 0.03 -0.61 -0.08 0.37 0.00 0.00 175.52 175.30 2jgf h GLU 268 N 0.19 0.69 -0.46 6.66 4.81 -1.98 -1.57 114.58 122.92 2jgf h GLU 268 Ca 0.47 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2jgf h GLU 268 Cb 0.86 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2jgf h GLU 268 CO -0.62 1.15 0.26 1.25 -0.73 0.00 0.00 179.01 180.31 2jgf h LEU 269 N 0.39 0.58 -0.34 1.64 6.46 -0.71 -2.46 115.31 120.86 2jgf h LEU 269 Ca -0.03 -0.09 -0.16 0.00 -0.12 0.00 0.00 57.88 57.48 2jgf h LEU 269 Cb 1.23 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.01 2jgf h LEU 269 CO 0.13 0.50 -0.43 0.40 -0.62 0.00 0.00 178.44 178.42 2jgf h ILE 270 N 0.61 1.28 -0.76 4.05 2.04 -0.99 -2.13 117.51 121.62 2jgf h ILE 270 Ca 0.16 -1.61 0.14 0.00 1.00 0.00 0.00 64.86 64.56 2jgf h ILE 270 Cb 0.05 1.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 2jgf h ILE 270 CO -0.03 0.53 0.31 0.00 0.00 0.00 0.00 178.15 178.96 2jgf h ALA 271 N 0.73 1.06 -0.54 1.87 0.00 -1.16 0.22 119.26 121.44 2jgf h ALA 271 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2jgf h ALA 271 Cb 1.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2jgf h ALA 271 CO 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.16 2jgf h LEU 273 N 0.83 0.88 -1.26 0.00 3.38 -0.67 -2.08 115.31 116.39 2jgf h LEU 273 Ca 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jgf h LEU 273 Cb 0.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jgf h LEU 273 CO 0.03 0.79 0.00 0.03 0.09 0.00 0.00 178.44 179.37 2jgf h ARG 274 N 0.94 0.00 -0.01 1.13 3.08 -0.69 -2.37 114.38 116.46 2jgf h ARG 274 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2jgf h ARG 274 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2jgf h ARG 274 CO -0.02 0.00 -0.42 0.25 -1.07 0.00 0.00 179.97 178.71 2jgf n THR 275 N -2.35 0.00 -3.23 2.04 -2.24 -0.78 -4.90 114.28 102.82 2jgf n THR 275 Ca -0.00 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 2jgf n THR 275 Cb 0.13 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 2jgf n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jgf s ARG 276 N -2.66 4.31 0.27 -0.78 1.81 -0.89 -5.04 118.95 115.96 2jgf s ARG 276 Ca 0.19 0.68 -0.28 0.00 -1.72 0.00 0.00 55.73 54.60 2jgf s ARG 276 Cb 0.18 -3.36 -0.15 0.00 -0.45 0.00 0.00 34.95 31.18 2jgf s ARG 276 CO 0.60 0.33 0.86 -2.30 -0.68 0.00 0.00 175.30 174.11 2jgf n PRO 277 N 2.92 0.95 -0.25 3.54 -0.01 -1.26 -4.87 135.00 136.02 2jgf n PRO 277 Ca -0.07 0.33 -0.01 0.00 -0.01 0.00 0.00 63.50 63.74 2jgf n PRO 277 Cb 0.51 -1.60 0.05 0.00 -0.01 0.00 0.00 33.50 32.46 2jgf n PRO 277 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jgf h ALA 278 N 1.68 0.25 0.00 3.55 0.00 -1.96 -0.77 119.26 122.02 2jgf h ALA 278 Ca -0.36 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jgf h ALA 278 Cb 1.37 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 2jgf h ALA 278 CO 0.59 -0.53 -0.07 0.37 0.00 0.00 0.00 179.25 179.61 2jgf h GLN 279 N -0.07 0.00 -0.12 0.00 5.75 -1.99 -1.31 115.11 117.38 2jgf h GLN 279 Ca 0.31 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.83 2jgf h GLN 279 Cb 0.56 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 2jgf h GLN 279 CO -0.76 0.07 0.01 -0.44 -2.65 0.00 0.00 178.83 175.06 2jgf h ASP 280 N 0.00 -0.02 -0.46 -0.69 5.19 -1.48 0.17 116.42 119.14 2jgf h ASP 280 Ca -0.00 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 2jgf h ASP 280 Cb 0.19 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 2jgf h ASP 280 CO 0.01 0.01 0.15 -0.07 -3.12 0.00 0.00 179.24 176.22 2jgf h LEU 281 N 0.06 0.66 -1.44 1.55 3.38 -1.28 -2.68 115.31 115.55 2jgf h LEU 281 Ca 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2jgf h LEU 281 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2jgf h LEU 281 CO -0.08 0.68 0.13 0.58 0.09 0.00 0.00 178.44 179.84 2jgf h VAL 282 N 0.60 1.15 -0.87 1.22 2.07 -1.38 -1.49 116.25 117.56 2jgf h VAL 282 Ca 0.15 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.35 2jgf h VAL 282 Cb 0.25 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 30.66 2jgf h VAL 282 CO -0.01 0.18 0.46 0.44 0.02 0.00 0.00 177.57 178.66 2jgf h ASP 283 N 0.50 0.56 -0.17 0.57 3.32 -0.29 -2.96 116.42 117.94 2jgf h ASP 283 Ca 0.12 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2jgf h ASP 283 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jgf h ASP 283 CO -0.01 0.23 0.00 1.41 -1.72 0.00 0.00 179.24 179.15 2jgf n HIS 284 N -4.86 0.22 -0.29 4.55 8.25 -1.05 -4.59 115.22 117.44 2jgf n HIS 284 Ca 0.18 -0.22 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2jgf n HIS 284 Cb 0.45 -0.01 0.28 0.00 1.12 0.00 0.00 29.99 31.83 2jgf n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2jgf h GLU 285 N 2.26 0.27 -0.17 -0.41 4.81 -1.10 -2.12 114.58 118.12 2jgf h GLU 285 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jgf h GLU 285 Cb 0.61 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2jgf h GLU 285 CO 0.00 0.18 0.00 0.91 -0.73 0.00 0.00 179.01 179.37 2jgf n TRP 286 N -5.16 0.22 -0.97 0.92 7.02 -1.26 -3.89 117.44 114.32 2jgf n TRP 286 Ca 0.21 -0.11 0.05 0.00 -1.02 0.00 0.00 57.50 56.63 2jgf n TRP 286 Cb 0.64 0.00 0.35 0.00 -2.42 0.00 0.00 31.31 29.88 2jgf n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jgf n HIS 287 N 0.29 1.80 0.29 -5.99 8.25 -0.80 -4.38 115.22 114.68 2jgf n HIS 287 Ca 0.16 -0.86 0.03 0.00 -0.26 0.00 0.00 57.72 56.79 2jgf n HIS 287 Cb 0.32 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 2jgf n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2jgf n VAL 288 N 0.15 0.00 -2.01 1.59 0.24 -1.25 -5.01 118.33 112.04 2jgf n VAL 288 Ca 0.28 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.34 61.80 2jgf n VAL 288 Cb 1.14 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 34.50 2jgf n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jgf s LEU 289 N -2.19 4.39 0.48 1.34 1.43 -1.26 -4.85 118.68 118.01 2jgf s LEU 289 Ca 0.03 2.67 0.22 0.00 -1.03 0.00 0.00 54.13 56.02 2jgf s LEU 289 Cb 0.05 -3.62 1.22 0.00 0.03 0.00 0.00 46.19 43.86 2jgf s LEU 289 CO 0.24 -0.70 2.01 1.55 0.23 0.00 0.00 176.35 179.68 2jgf h PRO 290 N 4.96 0.00 -4.14 1.29 0.13 -1.98 -3.44 132.00 128.82 2jgf h PRO 290 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 2jgf h PRO 290 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 2jgf h PRO 290 CO 0.77 0.17 -0.65 -0.65 -0.23 0.00 0.00 178.00 177.41 2jgf s GLN 291 N -4.29 0.57 0.05 0.86 1.11 -1.26 -5.12 119.66 111.59 2jgf s GLN 291 Ca -0.03 -1.07 -0.30 0.00 0.01 0.00 0.00 55.36 53.96 2jgf s GLN 291 Cb 0.14 0.20 -0.09 0.00 -1.01 0.00 0.00 33.01 32.26 2jgf s GLN 291 CO 0.63 -0.11 1.81 -2.00 0.01 0.00 0.00 175.29 175.63 2jgf s GLU 292 N -3.43 4.16 -0.28 2.91 2.12 -1.26 -4.95 118.70 117.97 2jgf s GLU 292 Ca 0.02 2.48 -0.21 0.00 0.36 0.00 0.00 54.97 57.63 2jgf s GLU 292 Cb 0.04 -3.86 0.10 0.00 0.26 0.00 0.00 34.13 30.68 2jgf s GLU 292 CO -0.08 -0.86 0.84 -1.54 -0.54 0.00 0.00 175.26 173.08 2jgf s SER 293 N 3.35 -0.68 0.41 -1.70 1.04 -1.26 -4.56 113.70 110.30 2jgf s SER 293 Ca 0.81 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2jgf s SER 293 Cb -0.41 1.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.94 2jgf s SER 293 CO 0.36 -0.20 0.63 0.27 0.98 0.00 0.00 173.24 175.29 2jgf s ILE 294 N 0.89 4.45 -1.55 -1.02 -4.36 -1.15 -4.34 121.20 114.13 2jgf s ILE 294 Ca -0.04 -0.44 -0.14 0.00 -0.26 0.00 0.00 60.65 59.76 2jgf s ILE 294 Cb -0.05 -3.64 0.11 0.00 1.25 0.00 0.00 42.46 40.13 2jgf s ILE 294 CO -0.10 -0.45 0.83 0.33 0.24 0.00 0.00 174.94 175.80 2jgf n PHE 295 N -1.98 -2.04 -4.11 1.37 -0.00 -1.26 -4.80 117.46 104.64 2jgf n PHE 295 Ca -0.01 0.79 -0.14 0.00 -0.00 0.00 0.00 57.45 58.09 2jgf n PHE 295 Cb 0.57 -3.49 -0.13 0.00 -0.00 0.00 0.00 39.48 36.43 2jgf n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2jgf s ARG 296 N -6.59 0.47 -0.00 -4.13 6.06 -1.26 -4.73 118.95 108.77 2jgf s ARG 296 Ca 0.64 -0.48 -0.00 0.00 -2.50 0.00 0.00 55.73 53.39 2jgf s ARG 296 Cb -0.33 -0.34 0.01 0.00 0.06 0.00 0.00 34.95 34.34 2jgf s ARG 296 CO 0.79 0.08 0.01 -0.06 -2.50 0.00 0.00 175.30 173.61 2jgf s PHE 297 N -0.77 0.01 0.02 5.12 0.08 -1.26 -5.04 117.98 116.13 2jgf s PHE 297 Ca -0.04 0.03 -0.25 0.00 0.12 0.00 0.00 56.93 56.79 2jgf s PHE 297 Cb -0.06 -0.05 -0.18 0.00 -0.57 0.00 0.00 43.02 42.16 2jgf s PHE 297 CO 0.00 -0.02 1.42 0.77 -0.10 0.00 0.00 175.22 177.29 2jgf h SER 298 N 6.39 0.02 -3.77 1.36 0.02 -1.89 -3.41 113.55 112.27 2jgf h SER 298 Ca -0.29 -0.34 -0.66 0.00 -0.84 0.00 0.00 61.79 59.67 2jgf h SER 298 Cb 1.19 -0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.34 2jgf h SER 298 CO 0.50 0.35 -0.77 -0.36 -1.14 0.00 0.00 176.83 175.41 2jgf s PHE 299 N -4.86 3.28 0.26 3.45 0.08 -1.26 -4.99 117.98 113.94 2jgf s PHE 299 Ca -0.15 -2.46 0.01 0.00 0.12 0.00 0.00 56.93 54.46 2jgf s PHE 299 Cb 0.03 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 2jgf s PHE 299 CO 0.67 -0.89 0.10 0.14 -0.10 0.00 0.00 175.22 175.15 2jgf s VAL 300 N 1.09 0.50 0.47 -0.44 -7.23 -1.26 -4.48 120.40 109.04 2jgf s VAL 300 Ca -0.02 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.94 2jgf s VAL 300 Cb -0.19 -2.62 -0.11 0.00 0.56 0.00 0.00 36.38 34.02 2jgf s VAL 300 CO -0.07 0.00 0.67 -2.65 -0.31 0.00 0.00 175.10 172.74 2jgf n PRO 301 N -0.47 0.75 -4.98 4.82 -0.02 -1.24 -4.69 135.00 129.16 2jgf n PRO 301 Ca 0.00 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 2jgf n PRO 301 Cb 0.66 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 2jgf n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jgf s VAL 302 N -1.49 2.79 -0.75 -1.45 0.11 -1.26 -1.60 120.40 116.76 2jgf s VAL 302 Ca 0.65 -0.81 -0.26 0.00 -2.93 0.00 0.00 61.98 58.63 2jgf s VAL 302 Cb -0.54 -2.08 0.01 0.00 -1.53 0.00 0.00 36.38 32.23 2jgf s VAL 302 CO 0.56 0.58 1.56 -0.69 -3.33 0.00 0.00 175.10 173.78 2jgf s VAL 303 N -0.50 3.60 -1.45 2.04 1.01 -0.31 -4.66 120.40 120.12 2jgf s VAL 303 Ca 0.06 0.12 0.17 0.00 0.00 0.00 0.00 61.98 62.33 2jgf s VAL 303 Cb -0.12 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 2jgf s VAL 303 CO 0.01 -1.47 0.87 -0.90 0.00 0.00 0.00 175.10 173.61 2jgf n ASP 304 N 10.89 1.56 0.00 3.32 5.75 -1.20 -3.48 116.55 133.38 2jgf n ASP 304 Ca 0.16 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 2jgf n ASP 304 Cb 0.50 0.55 0.00 0.00 -1.03 0.00 0.00 41.12 41.14 2jgf n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jgf n GLY 305 N 1.23 0.36 0.00 6.12 0.00 -0.15 -4.83 105.19 107.91 2jgf n GLY 305 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2jgf n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgf n ASP 306 N -0.20 0.00 -0.15 1.61 2.03 -1.26 -4.50 116.55 114.08 2jgf n ASP 306 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2jgf n ASP 306 Cb 0.10 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.54 2jgf n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jgf h PHE 307 N 0.00 0.39 -3.59 -0.67 3.04 -1.91 -3.30 116.94 110.90 2jgf h PHE 307 Ca 0.00 0.02 -0.70 0.00 3.98 0.00 0.00 57.97 61.27 2jgf h PHE 307 Cb 0.00 -0.11 -0.32 0.00 2.56 0.00 0.00 35.95 38.09 2jgf h PHE 307 CO 0.00 0.18 -0.58 -0.51 -2.02 0.00 0.00 178.31 175.38 2jgf s LEU 308 N -10.29 4.72 0.44 0.59 1.43 -1.26 -4.55 118.68 109.76 2jgf s LEU 308 Ca -0.13 -1.58 0.13 0.00 -1.03 0.00 0.00 54.13 51.52 2jgf s LEU 308 Cb 0.13 -1.83 0.98 0.00 0.03 0.00 0.00 46.19 45.50 2jgf s LEU 308 CO 0.73 -0.43 2.00 0.77 0.23 0.00 0.00 176.35 179.65 2jgf h SER 309 N 8.13 0.08 -2.21 2.29 4.64 -1.79 -0.37 113.55 124.33 2jgf h SER 309 Ca -0.19 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 2jgf h SER 309 Cb 1.06 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2jgf h SER 309 CO 0.65 0.21 -0.04 -0.67 -0.87 0.00 0.00 176.83 176.11 2jgf n ASP 310 N -4.35 -0.09 -4.76 4.97 -0.08 -1.26 -4.28 116.55 106.70 2jgf n ASP 310 Ca -0.02 -1.23 -0.34 0.00 -1.51 0.00 0.00 54.79 51.69 2jgf n ASP 310 Cb 0.22 0.20 0.04 0.00 2.34 0.00 0.00 41.12 43.91 2jgf n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jgf s THR 311 N -2.21 3.00 0.33 5.18 -4.23 -1.26 -4.83 115.64 111.61 2jgf s THR 311 Ca 0.04 0.53 0.06 0.00 -1.18 0.00 0.00 61.69 61.15 2jgf s THR 311 Cb 0.00 -3.11 0.31 0.00 1.34 0.00 0.00 72.50 71.04 2jgf s THR 311 CO 0.03 -0.22 1.84 -0.65 -0.54 0.00 0.00 174.62 175.08 2jgf h PRO 312 N 0.44 0.77 0.12 3.99 0.11 -1.97 0.11 132.00 135.57 2jgf h PRO 312 Ca -0.48 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.60 2jgf h PRO 312 Cb 1.27 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2jgf h PRO 312 CO 0.54 0.51 -0.29 0.93 -0.21 0.00 0.00 178.00 179.48 2jgf h GLU 313 N 0.79 -0.49 -0.89 1.05 3.07 -1.91 0.23 114.58 116.43 2jgf h GLU 313 Ca 0.48 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.44 2jgf h GLU 313 Cb 0.69 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.65 2jgf h GLU 313 CO -0.25 -0.33 0.55 0.00 -1.40 0.00 0.00 179.01 177.59 2jgf h ALA 314 N 0.18 1.22 -0.12 3.43 0.00 -1.78 -1.82 119.26 120.36 2jgf h ALA 314 Ca 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2jgf h ALA 314 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jgf h ALA 314 CO -0.17 0.30 -0.62 -0.07 0.00 0.00 0.00 179.25 178.69 2jgf h LEU 315 N 1.00 0.49 0.00 0.00 3.38 0.15 -2.81 115.31 117.53 2jgf h LEU 315 Ca 0.39 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2jgf h LEU 315 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2jgf h LEU 315 CO -0.18 0.99 -0.69 0.16 0.09 0.00 0.00 178.44 178.81 2jgf h ILE 316 N 0.32 1.01 -0.25 1.22 3.07 -0.47 -1.07 117.51 121.33 2jgf h ILE 316 Ca -0.01 -2.45 -0.09 0.00 1.55 0.00 0.00 64.86 63.86 2jgf h ILE 316 Cb 1.16 2.48 -0.01 0.00 -0.27 0.00 0.00 36.82 40.17 2jgf h ILE 316 CO 0.11 0.57 -0.22 0.78 -1.05 0.00 0.00 178.15 178.34 2jgf h ASN 317 N 0.00 0.46 0.00 2.16 2.35 -1.22 -3.35 115.58 115.99 2jgf h ASN 317 Ca -0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jgf h ASN 317 Cb 1.49 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.73 2jgf h ASN 317 CO 0.08 0.69 -0.83 0.35 -1.65 0.00 0.00 177.43 176.07 2jgf n THR 318 N -4.14 0.00 -0.78 2.81 -2.24 -1.07 -5.05 114.28 103.81 2jgf n THR 318 Ca -0.00 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 2jgf n THR 318 Cb 0.38 0.70 0.16 0.00 -2.10 0.00 0.00 70.33 69.46 2jgf n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jgf s GLY 319 N -2.30 1.70 -0.31 3.38 0.00 -0.41 -5.01 107.32 104.38 2jgf s GLY 319 Ca 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 44.72 45.24 2jgf s GLY 319 CO 0.34 0.97 0.05 -0.35 0.00 0.00 0.00 173.10 174.11 2jgf s ASP 320 N -2.75 5.01 -0.25 1.64 2.15 -1.26 -4.88 116.67 116.32 2jgf s ASP 320 Ca 0.66 -1.05 0.12 0.00 0.43 0.00 0.00 52.55 52.71 2jgf s ASP 320 Cb -0.22 -1.80 0.51 0.00 -0.30 0.00 0.00 42.92 41.11 2jgf s ASP 320 CO 0.57 -0.25 1.46 0.49 -0.17 0.00 0.00 175.17 177.27 2jgf n PHE 321 N 4.75 1.07 -0.03 -5.34 3.72 -0.16 -4.85 117.46 116.62 2jgf n PHE 321 Ca -0.14 -1.34 -0.10 0.00 -0.05 0.00 0.00 57.45 55.82 2jgf n PHE 321 Cb 0.45 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 2jgf n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2jgf h GLN 322 N 1.25 0.22 -2.53 -1.08 4.20 -1.71 -2.79 115.11 112.67 2jgf h GLN 322 Ca 0.15 -0.01 -0.80 0.00 0.06 0.00 0.00 58.65 58.05 2jgf h GLN 322 Cb 1.61 -0.05 -0.28 0.00 0.30 0.00 0.00 27.48 29.06 2jgf h GLN 322 CO 0.34 0.15 0.85 -0.25 -0.67 0.00 0.00 178.83 179.26 2jgf n ASP 323 N -4.97 6.82 -3.72 1.46 8.00 -1.26 -4.49 116.55 118.39 2jgf n ASP 323 Ca -0.04 -3.57 -0.12 0.00 0.71 0.00 0.00 54.79 51.77 2jgf n ASP 323 Cb 0.03 -1.19 -0.12 0.00 -0.02 0.00 0.00 41.12 39.83 2jgf n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jgf s LEU 324 N -3.63 0.24 -0.13 0.64 2.96 -1.12 -5.02 118.68 112.62 2jgf s LEU 324 Ca 0.36 0.70 -0.03 0.00 -0.22 0.00 0.00 54.13 54.94 2jgf s LEU 324 Cb 0.13 1.04 -0.03 0.00 0.50 0.00 0.00 46.19 47.83 2jgf s LEU 324 CO -0.03 -0.17 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.71 2jgf s GLN 325 N 1.18 3.39 -0.03 1.98 1.11 -1.26 -0.68 119.66 125.35 2jgf s GLN 325 Ca -0.08 -0.48 0.01 0.00 0.01 0.00 0.00 55.36 54.82 2jgf s GLN 325 Cb -0.08 -2.86 0.01 0.00 -1.01 0.00 0.00 33.01 29.07 2jgf s GLN 325 CO -0.09 0.42 -0.04 0.08 0.01 0.00 0.00 175.29 175.67 2jgf s VAL 326 N -0.12 0.43 -0.19 1.09 1.01 0.97 -2.27 120.40 121.31 2jgf s VAL 326 Ca 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 2jgf s VAL 326 Cb -0.13 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2jgf s VAL 326 CO 0.02 0.18 0.01 -0.22 0.00 0.00 0.00 175.10 175.09 2jgf s LEU 327 N 0.58 3.36 0.05 3.92 2.96 -0.51 -0.60 118.68 128.45 2jgf s LEU 327 Ca -0.07 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2jgf s LEU 327 Cb -0.10 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2jgf s LEU 327 CO -0.00 0.09 -0.09 0.68 -1.32 0.00 0.00 176.35 175.71 2jgf s VAL 328 N 0.86 0.68 0.08 1.68 -7.23 0.63 -0.69 120.40 116.40 2jgf s VAL 328 Ca 0.01 -1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 2jgf s VAL 328 Cb -0.14 -0.79 0.06 0.00 0.56 0.00 0.00 36.38 36.06 2jgf s VAL 328 CO 0.02 -0.39 0.77 0.61 -0.31 0.00 0.00 175.10 175.80 2jgf n GLY 329 N 1.30 0.66 3.28 2.32 0.00 -0.98 -1.19 105.19 110.59 2jgf n GLY 329 Ca -0.22 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 2jgf n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jgf s VAL 330 N -2.17 0.00 0.33 1.61 -7.23 -1.06 -0.21 120.40 111.67 2jgf s VAL 330 Ca 0.17 -1.91 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2jgf s VAL 330 Cb -0.02 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2jgf s VAL 330 CO 0.02 0.00 0.20 0.68 -0.31 0.00 0.00 175.10 175.70 2jgf s VAL 331 N -3.90 3.35 0.49 1.32 -7.23 -1.26 -0.13 120.40 113.03 2jgf s VAL 331 Ca 0.37 -1.55 0.15 0.00 -1.81 0.00 0.00 61.98 59.14 2jgf s VAL 331 Cb 0.05 -3.09 0.24 0.00 0.56 0.00 0.00 36.38 34.14 2jgf s VAL 331 CO 0.16 -0.20 2.10 0.50 -0.31 0.00 0.00 175.10 177.34 2jgf h LYS 332 N 1.43 0.05 -2.09 4.82 3.64 -0.55 -3.27 116.57 120.60 2jgf h LYS 332 Ca -0.44 -0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.37 2jgf h LYS 332 Cb 1.25 -0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.66 2jgf h LYS 332 CO 0.61 0.09 -0.91 -0.25 -2.27 0.00 0.00 179.45 176.72 2jgf n ASP 333 N -4.47 1.91 -0.11 4.20 9.92 -0.10 -4.91 116.55 122.99 2jgf n ASP 333 Ca -0.02 -3.10 0.17 0.00 -0.53 0.00 0.00 54.79 51.31 2jgf n ASP 333 Cb 0.13 -0.64 0.56 0.00 -0.64 0.00 0.00 41.12 40.54 2jgf n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jgf h GLU 334 N 3.77 0.28 -0.00 -1.24 4.39 -1.73 -3.14 114.58 116.90 2jgf h GLU 334 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2jgf h GLU 334 Cb 0.78 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2jgf h GLU 334 CO 0.63 0.18 -0.75 0.41 -1.16 0.00 0.00 179.01 178.32 2jgf n GLY 335 N -1.56 -0.70 0.25 -3.84 0.00 -1.25 -4.15 105.19 93.95 2jgf n GLY 335 Ca 0.13 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2jgf n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgf h SER 336 N 0.78 -0.49 -0.84 1.61 4.64 -1.75 -2.91 113.55 114.59 2jgf h SER 336 Ca 0.00 -0.07 0.21 0.00 -0.47 0.00 0.00 61.79 61.46 2jgf h SER 336 Cb 0.58 0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 62.63 2jgf h SER 336 CO 0.00 -0.21 -0.05 0.00 -0.87 0.00 0.00 176.83 175.71 2jgf n TYR 337 N -5.26 0.47 0.10 4.77 9.36 -1.26 -1.77 117.16 123.57 2jgf n TYR 337 Ca -0.11 1.02 -0.05 0.00 3.32 0.00 0.00 57.90 62.09 2jgf n TYR 337 Cb 0.28 -1.09 0.06 0.00 -0.63 0.00 0.00 39.34 37.96 2jgf n TYR 337 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2jgf h PHE 338 N 0.00 0.09 -0.98 2.98 -1.00 -1.80 -3.24 116.94 112.99 2jgf h PHE 338 Ca 0.48 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 61.32 2jgf h PHE 338 Cb 0.93 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 40.40 2jgf h PHE 338 CO -0.49 0.80 0.61 -0.07 -1.61 0.00 0.00 178.31 177.55 2jgf h LEU 339 N 0.04 0.92 0.00 1.54 3.38 -1.34 -0.88 115.31 118.97 2jgf h LEU 339 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jgf h LEU 339 Cb 1.34 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2jgf h LEU 339 CO 0.10 0.52 0.00 1.33 0.09 0.00 0.00 178.44 180.48 2jgf n VAL 340 N -4.61 0.57 -1.38 1.22 0.24 -1.22 -1.10 118.33 112.04 2jgf n VAL 340 Ca 0.17 0.14 -0.33 0.00 -2.04 0.00 0.00 64.34 62.29 2jgf n VAL 340 Cb 0.30 -0.89 0.06 0.00 -1.47 0.00 0.00 33.84 31.85 2jgf n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgf n TYR 341 N -1.29 2.86 0.00 6.34 4.02 -0.34 -4.71 117.16 124.04 2jgf n TYR 341 Ca 0.07 -2.70 0.00 0.00 -0.01 0.00 0.00 57.90 55.27 2jgf n TYR 341 Cb 0.12 -1.33 0.00 0.00 -0.02 0.00 0.00 39.34 38.11 2jgf n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jgf n GLY 342 N -0.57 1.42 3.42 2.72 0.00 -1.18 -4.79 105.19 106.21 2jgf n GLY 342 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 2jgf n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgf s VAL 343 N -1.65 4.96 0.16 1.61 1.01 -0.26 -4.94 120.40 121.28 2jgf s VAL 343 Ca 0.00 -0.74 -0.34 0.00 0.00 0.00 0.00 61.98 60.90 2jgf s VAL 343 Cb 0.00 -3.76 -0.15 0.00 0.00 0.00 0.00 36.38 32.47 2jgf s VAL 343 CO 0.00 -0.27 1.39 -2.65 0.00 0.00 0.00 175.10 173.56 2jgf n PRO 344 N 5.09 1.63 0.00 2.72 -0.02 -1.26 -1.81 135.00 141.35 2jgf n PRO 344 Ca -0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2jgf n PRO 344 Cb 0.47 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2jgf n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgf n GLY 345 N 2.60 0.81 3.49 -1.23 0.00 -1.26 -4.93 105.19 104.67 2jgf n GLY 345 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2jgf n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jgf s PHE 346 N -2.09 2.99 -0.07 1.61 0.40 -0.75 -4.50 117.98 115.58 2jgf s PHE 346 Ca 0.00 -0.32 -0.25 0.00 -0.60 0.00 0.00 56.93 55.76 2jgf s PHE 346 Cb 0.00 -1.93 0.06 0.00 0.51 0.00 0.00 43.02 41.66 2jgf s PHE 346 CO 0.00 -0.03 0.57 0.45 0.70 0.00 0.00 175.22 176.91 2jgf s SER 347 N 0.28 -0.53 0.53 1.36 0.15 -1.26 -4.56 113.70 109.66 2jgf s SER 347 Ca -0.04 0.63 0.31 0.00 0.70 0.00 0.00 55.95 57.56 2jgf s SER 347 Cb -0.14 0.59 1.29 0.00 -1.71 0.00 0.00 66.02 66.05 2jgf s SER 347 CO 0.03 -0.50 1.96 0.07 1.20 0.00 0.00 173.24 176.00 2jgf h LYS 348 N 3.58 0.00 0.02 5.44 2.10 -1.98 -3.34 116.57 122.39 2jgf h LYS 348 Ca -0.28 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.11 2jgf h LYS 348 Cb 1.15 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 2jgf h LYS 348 CO 0.35 0.06 -1.41 -0.44 -2.00 0.00 0.00 179.45 176.01 2jgf h ASP 349 N 0.00 0.06 -2.64 7.07 3.32 -2.00 -3.39 116.42 118.84 2jgf h ASP 349 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2jgf h ASP 349 Cb 0.55 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2jgf h ASP 349 CO 0.01 1.08 0.00 -0.46 -1.72 0.00 0.00 179.24 178.15 2jgf n ASN 350 N -3.23 1.13 -0.10 6.45 0.23 -1.25 -5.05 115.26 113.44 2jgf n ASN 350 Ca -0.11 -0.60 0.13 0.00 -0.53 0.00 0.00 54.58 53.48 2jgf n ASN 350 Cb 1.01 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 39.19 2jgf n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jgf n GLU 351 N -0.26 0.47 -3.92 -3.83 1.02 -1.26 -4.84 120.64 108.02 2jgf n GLU 351 Ca 0.00 -0.20 -0.29 0.00 -0.02 0.00 0.00 57.16 56.65 2jgf n GLU 351 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 2jgf n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jgf n SER 352 N -1.09 -4.05 -4.60 1.62 7.64 -1.26 -4.92 113.62 106.96 2jgf n SER 352 Ca 0.11 -0.81 -0.43 0.00 1.01 0.00 0.00 58.87 58.75 2jgf n SER 352 Cb 0.31 -3.78 -0.02 0.00 -1.01 0.00 0.00 64.21 59.71 2jgf n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jgf s LEU 353 N -7.20 3.57 0.52 -3.43 1.43 -1.26 -4.74 118.68 107.57 2jgf s LEU 353 Ca 0.56 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2jgf s LEU 353 Cb -0.28 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.42 2jgf s LEU 353 CO 0.84 -1.51 0.74 0.27 0.23 0.00 0.00 176.35 176.93 2jgf s ILE 354 N 5.82 2.97 0.56 -0.59 -4.36 -1.24 -4.98 121.20 119.37 2jgf s ILE 354 Ca 0.66 -0.64 0.05 0.00 -0.26 0.00 0.00 60.65 60.47 2jgf s ILE 354 Cb -0.16 -3.10 0.06 0.00 1.25 0.00 0.00 42.46 40.51 2jgf s ILE 354 CO 0.33 -0.07 0.77 -0.94 0.24 0.00 0.00 174.94 175.27 2jgf s SER 355 N -4.38 5.14 0.15 4.36 1.04 -1.26 -4.11 113.70 114.64 2jgf s SER 355 Ca 0.55 -0.46 -0.15 0.00 0.48 0.00 0.00 55.95 56.37 2jgf s SER 355 Cb -0.10 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.77 2jgf s SER 355 CO 0.38 -1.24 1.75 -0.09 0.98 0.00 0.00 173.24 175.02 2jgf h ARG 356 N 0.14 0.65 -0.52 4.02 2.43 -1.91 -2.61 114.38 116.57 2jgf h ARG 356 Ca -0.36 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2jgf h ARG 356 Cb 1.28 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2jgf h ARG 356 CO 0.44 0.52 0.24 0.00 -1.51 0.00 0.00 179.97 179.67 2jgf h ALA 357 N 1.09 0.68 -0.44 2.80 0.00 -2.00 -0.94 119.26 120.45 2jgf h ALA 357 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2jgf h ALA 357 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jgf h ALA 357 CO -0.02 0.25 0.30 1.96 0.00 0.00 0.00 179.25 181.73 2jgf h GLN 358 N 0.70 0.33 -0.24 0.00 4.20 -1.92 -2.17 115.11 116.01 2jgf h GLN 358 Ca 0.18 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.70 2jgf h GLN 358 Cb 0.13 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2jgf h GLN 358 CO -0.02 0.22 -0.51 0.35 -0.67 0.00 0.00 178.83 178.19 2jgf h PHE 359 N 0.34 0.98 -0.36 2.96 3.04 -0.80 0.18 116.94 123.28 2jgf h PHE 359 Ca 0.19 -0.36 -0.15 0.00 3.98 0.00 0.00 57.97 61.63 2jgf h PHE 359 Cb 0.33 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 2jgf h PHE 359 CO -0.00 1.17 -0.35 -0.07 -2.02 0.00 0.00 178.31 177.04 2jgf h LEU 360 N 0.52 0.94 -0.57 0.59 3.38 -0.88 -1.17 115.31 118.11 2jgf h LEU 360 Ca 0.00 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 2jgf h LEU 360 Cb 1.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2jgf h LEU 360 CO 0.11 1.21 -0.05 0.00 0.09 0.00 0.00 178.44 179.80 2jgf h ALA 361 N 0.76 0.77 -0.84 1.53 0.00 -1.44 -2.90 119.26 117.15 2jgf h ALA 361 Ca 0.06 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2jgf h ALA 361 Cb 0.94 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2jgf h ALA 361 CO 0.09 0.65 0.55 0.78 0.00 0.00 0.00 179.25 181.32 2jgf h GLY 362 N 0.93 1.18 1.99 0.00 0.00 -0.37 -2.34 103.07 104.46 2jgf h GLY 362 Ca 0.15 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 2jgf h GLY 362 CO 0.04 0.23 -0.52 -2.08 0.00 0.00 0.00 176.54 174.21 2jgf h VAL 363 N 0.87 1.37 0.00 4.60 2.07 -1.02 -0.75 116.25 123.39 2jgf h VAL 363 Ca 0.38 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2jgf h VAL 363 Cb 0.32 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2jgf h VAL 363 CO -0.14 0.51 0.00 0.03 0.02 0.00 0.00 177.57 177.99 2jgf h ARG 364 N 0.01 0.00 0.07 1.57 2.47 -1.27 -0.56 114.38 116.67 2jgf h ARG 364 Ca -0.00 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.34 2jgf h ARG 364 Cb 0.92 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.20 2jgf h ARG 364 CO 0.07 0.00 -2.18 -0.89 0.56 0.00 0.00 179.97 177.53 2jgf n ILE 365 N -2.72 1.65 0.08 2.04 5.41 -1.02 -3.61 119.36 121.19 2jgf n ILE 365 Ca 0.02 -0.64 -0.06 0.00 1.00 0.00 0.00 62.75 63.07 2jgf n ILE 365 Cb 0.32 -1.53 0.09 0.00 -0.71 0.00 0.00 39.64 37.80 2jgf n ILE 365 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2jgf h GLY 366 N 1.67 0.26 -6.34 7.39 0.00 -1.05 -3.03 103.07 101.97 2jgf h GLY 366 Ca -0.48 -0.35 -0.60 0.00 0.00 0.00 0.00 47.33 45.90 2jgf h GLY 366 CO 0.02 0.32 -0.69 -0.62 0.00 0.00 0.00 176.54 175.57 2jgf n VAL 367 N -3.83 1.58 0.27 4.60 0.31 -0.23 -4.87 118.33 116.16 2jgf n VAL 367 Ca -0.03 -4.88 0.16 0.00 -0.01 0.00 0.00 64.34 59.58 2jgf n VAL 367 Cb 0.66 -2.07 0.62 0.00 -0.91 0.00 0.00 33.84 32.13 2jgf n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jgf h PRO 368 N 4.44 0.00 0.00 5.55 0.13 -1.64 -2.08 132.00 138.41 2jgf h PRO 368 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2jgf h PRO 368 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2jgf h PRO 368 CO 0.73 0.03 0.00 1.04 -0.23 0.00 0.00 178.00 179.57 2jgf n GLN 369 N -3.13 0.03 -2.65 0.86 3.00 -1.26 -4.90 117.38 109.34 2jgf n GLN 369 Ca 0.01 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 2jgf n GLN 369 Cb 0.34 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.03 2jgf n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jgf s ALA 370 N -2.97 3.33 1.10 -1.58 0.00 -0.78 -5.07 121.76 115.79 2jgf s ALA 370 Ca 0.15 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 2jgf s ALA 370 Cb 0.19 -3.28 0.24 0.00 0.00 0.00 0.00 23.12 20.27 2jgf s ALA 370 CO 0.52 -0.01 1.10 -1.54 0.00 0.00 0.00 175.76 175.84 2jgf s SER 371 N -0.56 1.80 0.18 0.00 1.04 -1.26 -4.75 113.70 110.15 2jgf s SER 371 Ca 0.45 0.90 -0.13 0.00 0.48 0.00 0.00 55.95 57.65 2jgf s SER 371 Cb -0.27 -1.37 0.10 0.00 0.10 0.00 0.00 66.02 64.58 2jgf s SER 371 CO 0.33 -3.61 1.84 0.44 0.98 0.00 0.00 173.24 173.23 2jgf h ASP 372 N -2.22 0.63 -0.14 7.02 3.32 -1.98 -0.32 116.42 122.72 2jgf h ASP 372 Ca -0.50 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 2jgf h ASP 372 Cb 1.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2jgf h ASP 372 CO 0.47 0.45 0.08 0.25 -1.72 0.00 0.00 179.24 178.77 2jgf h LEU 373 N 0.75 0.17 -0.76 1.55 5.85 -1.99 -1.04 115.31 119.84 2jgf h LEU 373 Ca 0.22 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2jgf h LEU 373 Cb -0.05 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2jgf h LEU 373 CO -0.06 0.19 0.33 0.00 -0.34 0.00 0.00 178.44 178.56 2jgf h ALA 374 N 0.99 0.98 -0.70 1.25 0.00 -1.86 0.76 119.26 120.68 2jgf h ALA 374 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jgf h ALA 374 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2jgf h ALA 374 CO -0.01 0.58 0.37 0.00 0.00 0.00 0.00 179.25 180.19 2jgf h ALA 375 N 1.17 1.35 -0.25 0.00 0.00 -0.93 -0.69 119.26 119.90 2jgf h ALA 375 Ca 0.26 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jgf h ALA 375 Cb 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jgf h ALA 375 CO -0.03 0.53 -0.21 1.49 0.00 0.00 0.00 179.25 181.04 2jgf h GLU 376 N 0.97 0.59 -0.79 0.00 4.57 -0.19 -0.32 114.58 119.40 2jgf h GLU 376 Ca 0.25 -0.29 0.12 0.00 -1.18 0.00 0.00 59.36 58.25 2jgf h GLU 376 Cb 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.55 2jgf h GLU 376 CO -0.04 0.88 0.41 0.00 -1.18 0.00 0.00 179.01 179.08 2jgf h ALA 377 N 0.69 1.15 0.27 2.92 0.00 -0.36 0.09 119.26 124.01 2jgf h ALA 377 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jgf h ALA 377 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jgf h ALA 377 CO 0.05 -0.04 -0.13 0.28 0.00 0.00 0.00 179.25 179.42 2jgf h VAL 378 N 0.64 0.78 -0.66 0.00 2.07 -0.76 -1.73 116.25 116.59 2jgf h VAL 378 Ca 0.41 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2jgf h VAL 378 Cb 0.49 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 2jgf h VAL 378 CO -0.31 0.08 0.32 0.58 0.02 0.00 0.00 177.57 178.26 2jgf h VAL 379 N -0.57 0.86 0.00 2.57 2.07 -0.66 -0.54 116.25 119.99 2jgf h VAL 379 Ca -0.04 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 2jgf h VAL 379 Cb 0.41 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2jgf h VAL 379 CO 0.06 0.10 -0.40 -0.07 0.02 0.00 0.00 177.57 177.28 2jgf h LEU 380 N 0.56 0.00 -0.19 2.57 3.38 -0.91 0.17 115.31 120.89 2jgf h LEU 380 Ca 0.32 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 2jgf h LEU 380 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2jgf h LEU 380 CO -0.25 0.40 -0.84 -0.74 0.09 0.00 0.00 178.44 177.10 2jgf h HIS 381 N 0.00 0.89 0.00 1.13 2.76 -0.42 -3.35 115.15 116.16 2jgf h HIS 381 Ca -0.00 -0.42 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 2jgf h HIS 381 Cb 0.89 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2jgf h HIS 381 CO 0.00 1.24 -1.30 0.66 -1.30 0.00 0.00 177.93 177.23 2jgf n TYR 382 N -3.87 0.60 -1.71 5.26 4.02 -0.29 -4.77 117.16 116.39 2jgf n TYR 382 Ca -0.07 0.17 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 2jgf n TYR 382 Cb 0.78 -0.76 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 2jgf n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jgf s THR 383 N -3.39 2.90 -0.52 -0.72 2.01 0.56 -4.88 115.64 111.60 2jgf s THR 383 Ca -0.02 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 2jgf s THR 383 Cb 0.11 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.59 2jgf s THR 383 CO 0.83 -0.00 1.38 -0.62 -0.69 0.00 0.00 174.62 175.52 2jgf s ASP 384 N 3.84 6.23 0.00 3.53 -1.08 -1.26 -4.91 116.67 123.02 2jgf s ASP 384 Ca 0.85 0.44 0.11 0.00 -0.52 0.00 0.00 52.55 53.43 2jgf s ASP 384 Cb -0.43 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.00 2jgf s ASP 384 CO 0.39 -1.59 1.33 0.79 0.52 0.00 0.00 175.17 176.61 2jgf n TRP 385 N 9.21 0.00 0.11 -5.34 7.02 -1.26 -0.99 117.44 126.19 2jgf n TRP 385 Ca 0.13 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.66 2jgf n TRP 385 Cb 0.49 -0.43 0.01 0.00 -2.42 0.00 0.00 31.31 28.96 2jgf n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jgf h LEU 386 N 0.00 0.00 -5.68 -0.99 3.38 -2.03 -3.37 115.31 106.61 2jgf h LEU 386 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2jgf h LEU 386 Cb 0.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.51 2jgf h LEU 386 CO 0.00 0.36 -1.07 1.41 0.09 0.00 0.00 178.44 179.23 2jgf n HIS 387 N -3.00 1.20 -0.32 1.13 8.25 -0.16 -4.99 115.22 117.32 2jgf n HIS 387 Ca -0.02 -3.71 0.20 0.00 -0.26 0.00 0.00 57.72 53.94 2jgf n HIS 387 Cb 0.70 -0.42 0.46 0.00 1.12 0.00 0.00 29.99 31.86 2jgf n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jgf h PRO 388 N 2.98 0.47 -0.05 -0.41 0.13 -1.58 -2.68 132.00 130.86 2jgf h PRO 388 Ca 0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2jgf h PRO 388 Cb 0.90 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2jgf h PRO 388 CO 0.58 0.31 0.00 0.39 -0.23 0.00 0.00 178.00 179.05 2jgf n GLU 389 N -4.67 2.77 -1.74 0.86 1.02 -1.26 -4.84 120.64 112.78 2jgf n GLU 389 Ca 0.25 -1.73 -0.42 0.00 -0.02 0.00 0.00 57.16 55.23 2jgf n GLU 389 Cb 0.79 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 2jgf n GLU 389 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jgf s ASP 390 N -1.25 6.43 0.14 1.62 2.15 -1.01 -4.72 116.67 120.03 2jgf s ASP 390 Ca 0.08 2.77 -0.12 0.00 0.43 0.00 0.00 52.55 55.71 2jgf s ASP 390 Cb 0.06 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2jgf s ASP 390 CO 0.03 -0.98 1.57 -0.65 -0.17 0.00 0.00 175.17 174.96 2jgf h PRO 391 N 7.97 0.88 -0.13 4.34 0.11 -1.92 -1.68 132.00 141.57 2jgf h PRO 391 Ca -0.45 -0.32 0.03 0.00 0.11 0.00 0.00 66.00 65.37 2jgf h PRO 391 Cb 1.21 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2jgf h PRO 391 CO 0.95 0.96 -0.08 1.15 -0.21 0.00 0.00 178.00 180.77 2jgf h THR 392 N 0.72 0.75 -0.23 -1.15 2.02 -1.91 -0.45 112.91 112.65 2jgf h THR 392 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 2jgf h THR 392 Cb 0.62 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2jgf h THR 392 CO 0.04 0.00 0.07 0.45 0.37 0.00 0.00 175.52 176.45 2jgf h HIS 393 N -0.08 0.12 -0.66 3.16 3.86 -1.89 -0.45 115.15 119.21 2jgf h HIS 393 Ca 0.08 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2jgf h HIS 393 Cb 0.20 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2jgf h HIS 393 CO -0.21 0.05 0.34 -0.07 0.86 0.00 0.00 177.93 178.90 2jgf h LEU 394 N 0.17 0.84 0.77 2.43 3.38 -1.15 0.11 115.31 121.86 2jgf h LEU 394 Ca 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2jgf h LEU 394 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2jgf h LEU 394 CO -0.12 0.72 -0.40 -0.09 0.09 0.00 0.00 178.44 178.64 2jgf h ARG 395 N 0.91 -1.04 -0.56 1.13 1.12 -0.82 -0.88 114.38 114.23 2jgf h ARG 395 Ca 0.23 0.07 0.10 0.00 -1.11 0.00 0.00 59.98 59.27 2jgf h ARG 395 Cb 0.08 0.24 -0.03 0.00 -0.01 0.00 0.00 29.97 30.25 2jgf h ARG 395 CO -0.03 -0.69 0.38 -0.44 -3.11 0.00 0.00 179.97 176.08 2jgf h ASP 396 N -1.08 0.29 -0.19 -3.80 3.32 -0.91 -1.93 116.42 112.12 2jgf h ASP 396 Ca -0.10 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 2jgf h ASP 396 Cb 0.84 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2jgf h ASP 396 CO 0.15 0.17 -0.44 0.00 -1.72 0.00 0.00 179.24 177.40 2jgf h ALA 397 N 1.72 0.30 -0.34 3.45 0.00 -0.59 -1.18 119.26 122.62 2jgf h ALA 397 Ca 0.26 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2jgf h ALA 397 Cb 0.61 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2jgf h ALA 397 CO -0.06 0.44 0.08 1.98 0.00 0.00 0.00 179.25 181.68 2jgf h MET 398 N 0.30 0.19 -0.26 0.00 1.85 -0.58 0.66 114.93 117.10 2jgf h MET 398 Ca -0.00 -0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.13 2jgf h MET 398 Cb 1.05 -0.04 -0.06 0.00 0.43 0.00 0.00 31.60 32.98 2jgf h MET 398 CO 0.10 0.13 -0.13 1.03 -0.40 0.00 0.00 176.91 177.64 2jgf h SER 399 N 0.20 -0.44 -0.53 1.39 0.87 -1.30 -2.43 113.55 111.32 2jgf h SER 399 Ca 0.16 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2jgf h SER 399 Cb 0.17 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2jgf h SER 399 CO -0.20 -0.17 0.34 0.00 -0.53 0.00 0.00 176.83 176.28 2jgf h ALA 400 N 1.11 0.67 -0.42 6.23 0.00 -0.36 -1.16 119.26 125.33 2jgf h ALA 400 Ca 0.14 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jgf h ALA 400 Cb 0.31 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 2jgf h ALA 400 CO -0.32 0.13 -0.01 0.28 0.00 0.00 0.00 179.25 179.33 2jgf h VAL 401 N 0.71 0.67 -0.28 0.00 2.07 0.67 0.68 116.25 120.76 2jgf h VAL 401 Ca 0.19 -0.03 -0.17 0.00 0.82 0.00 0.00 66.70 67.51 2jgf h VAL 401 Cb -0.06 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2jgf h VAL 401 CO -0.04 0.02 -0.50 0.58 0.02 0.00 0.00 177.57 177.64 2jgf h VAL 402 N 0.10 1.28 -0.51 2.57 2.07 -1.13 -1.35 116.25 119.28 2jgf h VAL 402 Ca 0.21 -1.69 -0.12 0.00 0.82 0.00 0.00 66.70 65.92 2jgf h VAL 402 Cb 0.31 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2jgf h VAL 402 CO -0.36 0.55 -0.14 1.23 0.02 0.00 0.00 177.57 178.87 2jgf h GLY 403 N 0.60 1.07 0.48 2.17 0.00 -0.92 -1.88 103.07 104.59 2jgf h GLY 403 Ca 0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 2jgf h GLY 403 CO 0.11 0.81 -0.06 -0.55 0.00 0.00 0.00 176.54 176.85 2jgf h ASP 404 N 0.87 -0.15 -0.50 0.19 3.32 -0.84 0.37 116.42 119.70 2jgf h ASP 404 Ca 0.13 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.86 2jgf h ASP 404 Cb 0.70 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 2jgf h ASP 404 CO 0.05 0.35 0.19 -0.74 -1.72 0.00 0.00 179.24 177.37 2jgf h HIS 405 N -0.70 0.34 0.03 4.55 2.76 -1.28 -1.59 115.15 119.26 2jgf h HIS 405 Ca -0.02 0.02 -0.32 0.00 -2.20 0.00 0.00 60.37 57.86 2jgf h HIS 405 Cb 0.52 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 2jgf h HIS 405 CO 0.08 0.12 -1.85 0.09 -1.30 0.00 0.00 177.93 175.07 2jgf n ASN 406 N -4.98 1.17 0.00 3.26 3.02 -0.71 -4.46 115.26 112.56 2jgf n ASN 406 Ca 0.05 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2jgf n ASN 406 Cb 0.19 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2jgf n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jgf n VAL 407 N -3.14 0.04 -0.11 2.41 0.31 0.12 -4.67 118.33 113.27 2jgf n VAL 407 Ca -0.23 0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.07 2jgf n VAL 407 Cb 1.06 -0.96 0.02 0.00 -0.91 0.00 0.00 33.84 33.04 2jgf n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jgf h VAL 408 N 0.00 0.64 -0.13 2.52 2.07 -1.23 0.36 116.25 120.47 2jgf h VAL 408 Ca 0.00 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 2jgf h VAL 408 Cb 0.00 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2jgf h VAL 408 CO 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 177.57 177.09 2jgf h PRO 410 N 0.20 0.91 -0.56 0.00 0.11 -1.61 0.65 132.00 131.71 2jgf h PRO 410 Ca -0.03 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 2jgf h PRO 410 Cb 1.14 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2jgf h PRO 410 CO 0.11 0.60 0.19 0.28 -0.21 0.00 0.00 178.00 178.97 2jgf h VAL 411 N 0.94 1.23 -0.35 3.15 2.07 0.10 0.43 116.25 123.82 2jgf h VAL 411 Ca 0.49 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2jgf h VAL 411 Cb 0.53 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2jgf h VAL 411 CO -0.25 0.29 0.16 0.00 0.02 0.00 0.00 177.57 177.79 2jgf h ALA 412 N 1.05 0.46 -0.30 1.67 0.00 -0.39 0.60 119.26 122.34 2jgf h ALA 412 Ca 0.18 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jgf h ALA 412 Cb 0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2jgf h ALA 412 CO -0.01 0.03 -0.04 0.37 0.00 0.00 0.00 179.25 179.60 2jgf h GLN 413 N 0.43 0.04 -0.06 0.00 5.75 -0.73 -0.16 115.11 120.38 2jgf h GLN 413 Ca 0.12 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2jgf h GLN 413 Cb 0.14 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 2jgf h GLN 413 CO -0.01 0.02 0.03 1.25 -2.65 0.00 0.00 178.83 177.47 2jgf h LEU 414 N 0.04 0.08 -0.50 -2.39 5.85 -0.69 -1.92 115.31 115.78 2jgf h LEU 414 Ca 0.15 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2jgf h LEU 414 Cb 0.21 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2jgf h LEU 414 CO -0.28 0.18 0.16 0.00 -0.34 0.00 0.00 178.44 178.16 2jgf h ALA 415 N 0.90 0.60 0.32 1.25 0.00 -0.66 0.43 119.26 122.10 2jgf h ALA 415 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jgf h ALA 415 Cb 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jgf h ALA 415 CO -0.00 -0.24 -0.23 0.78 0.00 0.00 0.00 179.25 179.56 2jgf h GLY 416 N 0.32 -0.56 0.95 0.00 0.00 -0.97 -1.49 103.07 101.32 2jgf h GLY 416 Ca 0.24 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 2jgf h GLY 416 CO -0.27 -0.22 0.18 3.21 0.00 0.00 0.00 176.54 179.43 2jgf h ARG 417 N -0.54 0.52 -0.56 4.80 2.47 -1.00 -0.88 114.38 119.19 2jgf h ARG 417 Ca -0.03 -0.08 0.03 0.00 -1.26 0.00 0.00 59.98 58.65 2jgf h ARG 417 Cb 0.47 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 2jgf h ARG 417 CO 0.00 0.47 0.33 -0.07 0.56 0.00 0.00 179.97 181.26 2jgf h LEU 418 N 0.45 0.52 -0.29 3.04 3.38 -0.87 -1.21 115.31 120.32 2jgf h LEU 418 Ca 0.13 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2jgf h LEU 418 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jgf h LEU 418 CO -0.02 0.36 -0.01 0.00 0.09 0.00 0.00 178.44 178.86 2jgf h ALA 419 N 1.26 0.40 -0.96 1.53 0.00 -1.01 -0.26 119.26 120.21 2jgf h ALA 419 Ca 0.23 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2jgf h ALA 419 Cb 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2jgf h ALA 419 CO -0.11 0.16 0.62 0.00 0.00 0.00 0.00 179.25 179.91 2jgf h ALA 420 N 0.82 1.56 -0.78 0.00 0.00 -0.99 -3.06 119.26 116.81 2jgf h ALA 420 Ca 0.08 0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.65 2jgf h ALA 420 Cb 0.45 -0.22 -0.21 0.00 0.00 0.00 0.00 17.79 17.82 2jgf h ALA 420 CO 0.02 0.23 0.39 1.04 0.00 0.00 0.00 179.25 180.93 2jgf n GLN 421 N -4.57 2.68 0.00 0.00 6.02 -0.47 -4.90 117.38 116.15 2jgf n GLN 421 Ca 0.17 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 2jgf n GLN 421 Cb 0.32 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.46 2jgf n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgf n GLY 422 N -0.81 0.38 3.75 1.08 0.00 -1.06 -0.99 105.19 107.54 2jgf n GLY 422 Ca 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 2jgf n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgf s ALA 423 N -2.04 2.12 -0.24 4.61 0.00 -0.14 -4.09 121.76 121.98 2jgf s ALA 423 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 2jgf s ALA 423 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2jgf s ALA 423 CO 0.00 -1.92 0.26 0.50 0.00 0.00 0.00 175.76 174.60 2jgf s ARG 424 N -4.79 4.06 -0.04 0.00 3.52 0.14 -4.53 118.95 117.31 2jgf s ARG 424 Ca 0.63 -0.11 0.04 0.00 -0.13 0.00 0.00 55.73 56.16 2jgf s ARG 424 Cb -0.19 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.62 2jgf s ARG 424 CO 0.55 -0.07 -0.17 0.08 -0.81 0.00 0.00 175.30 174.88 2jgf s VAL 425 N 1.45 1.42 -0.06 7.11 1.01 -1.26 -0.02 120.40 130.04 2jgf s VAL 425 Ca 0.11 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2jgf s VAL 425 Cb -0.15 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 2jgf s VAL 425 CO 0.08 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 2jgf s TYR 426 N 0.04 2.10 0.15 5.22 1.51 0.23 0.21 117.35 126.81 2jgf s TYR 426 Ca -0.04 -0.71 0.09 0.00 -1.01 0.00 0.00 57.07 55.41 2jgf s TYR 426 Cb -0.11 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 2jgf s TYR 426 CO 0.02 -0.26 -0.22 0.00 -1.11 0.00 0.00 175.55 173.98 2jgf s ALA 427 N 0.14 2.13 0.13 3.71 0.00 -1.25 -0.27 121.76 126.35 2jgf s ALA 427 Ca -0.09 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.37 2jgf s ALA 427 Cb -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 2jgf s ALA 427 CO 0.05 0.37 0.15 1.52 0.00 0.00 0.00 175.76 177.85 2jgf s TYR 428 N -1.52 0.57 -0.05 0.00 -0.85 -0.33 -1.88 117.35 113.28 2jgf s TYR 428 Ca 0.14 -0.96 0.03 0.00 -0.52 0.00 0.00 57.07 55.75 2jgf s TYR 428 Cb -0.08 -0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.00 2jgf s TYR 428 CO 0.06 -0.59 -0.12 -1.50 -1.52 0.00 0.00 175.55 171.89 2jgf s ILE 429 N -3.98 1.03 -0.23 -3.49 2.07 -0.44 -2.57 121.20 113.59 2jgf s ILE 429 Ca 0.18 -0.46 -0.10 0.00 -1.41 0.00 0.00 60.65 58.86 2jgf s ILE 429 Cb 0.06 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.67 2jgf s ILE 429 CO -0.02 0.32 0.13 0.12 -1.91 0.00 0.00 174.94 173.59 2jgf s PHE 430 N 0.39 3.29 0.00 3.50 2.19 0.81 0.59 117.98 128.75 2jgf s PHE 430 Ca -0.08 0.16 0.00 0.00 0.33 0.00 0.00 56.93 57.33 2jgf s PHE 430 Cb -0.12 -2.22 0.00 0.00 -1.31 0.00 0.00 43.02 39.36 2jgf s PHE 430 CO 0.02 0.07 0.40 0.39 1.83 0.00 0.00 175.22 177.93 2jgf n GLU 431 N 4.14 0.20 -3.05 10.12 1.02 0.51 0.02 120.64 133.60 2jgf n GLU 431 Ca -0.15 -0.48 -0.42 0.00 -0.02 0.00 0.00 57.16 56.09 2jgf n GLU 431 Cb 0.52 -0.72 -0.06 0.00 -0.02 0.00 0.00 31.44 31.16 2jgf n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jgf s HIS 432 N -0.16 3.17 -0.28 -0.32 2.46 -1.25 -4.94 115.29 113.97 2jgf s HIS 432 Ca 0.00 0.56 -0.29 0.00 0.47 0.00 0.00 55.06 55.80 2jgf s HIS 432 Cb 0.00 -3.16 0.00 0.00 -0.13 0.00 0.00 32.58 29.29 2jgf s HIS 432 CO 0.00 -0.59 1.23 0.50 -2.47 0.00 0.00 174.74 173.41 2jgf s ARG 433 N 2.81 4.02 0.15 2.88 3.52 -1.26 -4.93 118.95 126.13 2jgf s ARG 433 Ca 0.28 1.27 -0.34 0.00 -0.13 0.00 0.00 55.73 56.81 2jgf s ARG 433 Cb -0.14 -3.82 -0.15 0.00 -1.56 0.00 0.00 34.95 29.28 2jgf s ARG 433 CO 0.14 -0.98 1.32 0.00 -0.81 0.00 0.00 175.30 174.97 2jgf n ALA 434 N 7.22 -0.25 0.21 6.12 0.00 -1.26 -4.87 120.51 127.68 2jgf n ALA 434 Ca 0.14 0.47 0.05 0.00 0.00 0.00 0.00 53.44 54.10 2jgf n ALA 434 Cb 0.46 -2.13 0.51 0.00 0.00 0.00 0.00 19.45 18.30 2jgf n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jgf h SER 435 N 4.28 0.06 -0.07 0.00 4.64 -1.95 -2.43 113.55 118.07 2jgf h SER 435 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jgf h SER 435 Cb 1.32 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jgf h SER 435 CO 0.76 0.18 0.00 0.35 -0.87 0.00 0.00 176.83 177.26 2jgf n THR 436 N -4.37 0.09 -1.78 2.95 -2.24 -1.26 -4.93 114.28 102.75 2jgf n THR 436 Ca -0.02 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2jgf n THR 436 Cb 0.21 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 2jgf n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jgf s LEU 437 N -1.52 4.37 0.00 3.22 2.96 -0.92 -4.88 118.68 121.91 2jgf s LEU 437 Ca 0.27 2.81 0.24 0.00 -0.22 0.00 0.00 54.13 57.23 2jgf s LEU 437 Cb 0.14 -3.60 0.28 0.00 0.50 0.00 0.00 46.19 43.51 2jgf s LEU 437 CO 0.22 -0.94 1.26 0.35 -1.32 0.00 0.00 176.35 175.91 2jgf n THR 438 N 4.00 0.00 -2.66 3.68 -2.24 -1.26 -4.89 114.28 110.91 2jgf n THR 438 Ca 0.15 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.54 2jgf n THR 438 Cb 0.36 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 2jgf n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jgf s TRP 439 N -2.82 3.22 1.06 4.78 0.52 -1.26 -4.90 118.94 119.55 2jgf s TRP 439 Ca 0.14 1.58 -0.12 0.00 0.02 0.00 0.00 56.10 57.72 2jgf s TRP 439 Cb 0.18 -2.91 0.23 0.00 -1.15 0.00 0.00 33.47 29.81 2jgf s TRP 439 CO 0.69 -0.39 1.06 -1.25 0.02 0.00 0.00 176.95 177.08 2jgf s PRO 440 N -3.34 -0.10 0.41 4.98 0.04 -1.26 -4.91 135.00 130.82 2jgf s PRO 440 Ca 0.63 0.79 0.08 0.00 0.04 0.00 0.00 61.00 62.54 2jgf s PRO 440 Cb -0.11 -1.65 0.85 0.00 0.04 0.00 0.00 34.50 33.62 2jgf s PRO 440 CO 0.18 -3.16 2.00 -0.07 0.04 0.00 0.00 177.00 175.99 2jgf h LEU 441 N -2.21 0.34 -0.96 -3.56 3.38 -1.94 -2.98 115.31 107.38 2jgf h LEU 441 Ca -0.57 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2jgf h LEU 441 Cb 1.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2jgf h LEU 441 CO 0.53 0.35 0.00 4.11 0.09 0.00 0.00 178.44 183.51 2jgf h TRP 442 N 0.38 0.00 0.00 1.13 5.08 -1.92 -1.33 115.95 119.29 2jgf h TRP 442 Ca 0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.06 2jgf h TRP 442 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 2jgf h TRP 442 CO 0.00 0.00 -0.04 -1.33 -1.28 0.00 0.00 178.44 175.79 2jgf n MET 443 N -2.55 0.11 0.00 0.12 2.81 -1.12 -4.98 117.12 111.51 2jgf n MET 443 Ca 0.02 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2jgf n MET 443 Cb 0.26 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2jgf n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jgf n GLY 444 N 1.42 3.48 3.33 3.03 0.00 -0.50 -3.54 105.19 112.41 2jgf n GLY 444 Ca 0.06 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 2jgf n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgf s VAL 445 N 0.00 5.17 0.70 1.61 1.01 -1.26 -4.85 120.40 122.79 2jgf s VAL 445 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 2jgf s VAL 445 Cb 0.00 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.99 2jgf s VAL 445 CO 0.00 -0.97 1.09 -2.84 0.00 0.00 0.00 175.10 172.38 2jgf s PRO 446 N 1.65 2.87 -0.35 2.72 0.02 -1.23 -0.92 135.00 139.75 2jgf s PRO 446 Ca 0.08 0.46 -0.41 0.00 0.02 0.00 0.00 61.00 61.15 2jgf s PRO 446 Cb -0.25 -2.02 -0.16 0.00 0.02 0.00 0.00 34.50 32.09 2jgf s PRO 446 CO 0.02 -1.03 1.84 1.58 -0.33 0.00 0.00 177.00 179.08 2jgf n HIS 447 N -3.00 1.84 0.00 6.54 -0.00 -1.23 -2.08 115.22 117.30 2jgf n HIS 447 Ca 0.07 0.62 0.00 0.00 -0.00 0.00 0.00 57.72 58.41 2jgf n HIS 447 Cb 0.57 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.15 2jgf n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jgf n GLY 448 N 4.93 1.09 1.22 1.57 0.00 -1.26 -4.96 105.19 107.79 2jgf n GLY 448 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 2jgf n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgf n TYR 449 N -1.63 1.00 -0.01 1.61 4.02 -0.88 -2.76 117.16 118.51 2jgf n TYR 449 Ca 0.00 -0.54 0.09 0.00 -0.01 0.00 0.00 57.90 57.44 2jgf n TYR 449 Cb 0.00 -0.36 -0.14 0.00 -0.02 0.00 0.00 39.34 38.82 2jgf n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jgf n GLU 450 N 0.12 0.57 0.15 -0.72 0.00 -1.26 -4.67 120.64 114.84 2jgf n GLU 450 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 57.16 57.01 2jgf n GLU 450 Cb 0.75 -1.44 -0.07 0.00 0.00 0.00 0.00 31.44 30.69 2jgf n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jgf h ILE 451 N 0.00 0.61 -1.05 3.84 2.04 -1.90 -1.81 117.51 119.25 2jgf h ILE 451 Ca -0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.12 2jgf h ILE 451 Cb 0.87 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.48 2jgf h ILE 451 CO 0.00 0.00 0.69 1.05 0.00 0.00 0.00 178.15 179.89 2jgf h GLU 452 N -0.41 0.31 -0.06 2.37 4.11 -1.80 0.10 114.58 119.20 2jgf h GLU 452 Ca -0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.33 2jgf h GLU 452 Cb 0.37 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jgf h GLU 452 CO -0.02 0.21 -0.24 0.74 0.07 0.00 0.00 179.01 179.77 2jgf h PHE 453 N 0.32 0.36 -0.77 2.06 0.04 -1.65 -0.24 116.94 117.06 2jgf h PHE 453 Ca 0.58 -0.15 0.04 0.00 2.80 0.00 0.00 57.97 61.24 2jgf h PHE 453 Cb 1.61 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.66 2jgf h PHE 453 CO -0.00 0.86 0.51 0.82 -0.60 0.00 0.00 178.31 179.90 2jgf h ILE 454 N -0.25 1.11 0.00 -0.55 1.08 -0.66 -2.42 117.51 115.82 2jgf h ILE 454 Ca -0.01 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2jgf h ILE 454 Cb 0.88 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2jgf h ILE 454 CO 0.05 0.17 -0.03 -0.26 -0.69 0.00 0.00 178.15 177.39 2jgf h PHE 455 N 0.93 0.00 0.00 1.37 -1.00 -1.02 -3.40 116.94 113.82 2jgf h PHE 455 Ca 0.31 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.09 2jgf h PHE 455 Cb 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 2jgf h PHE 455 CO -0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 2jgf n GLY 456 N 1.30 0.77 0.35 -1.45 0.00 -0.85 -4.03 105.19 101.27 2jgf n GLY 456 Ca 0.05 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.65 2jgf n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jgf h LEU 457 N 0.00 0.56 -1.91 0.99 3.38 -1.30 -1.04 115.31 115.99 2jgf h LEU 457 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jgf h LEU 457 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jgf h LEU 457 CO 0.00 0.36 0.06 -0.65 0.09 0.00 0.00 178.44 178.30 2jgf h PRO 458 N 0.64 0.00 0.00 1.13 0.11 -1.88 -1.36 132.00 130.64 2jgf h PRO 458 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2jgf h PRO 458 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2jgf h PRO 458 CO -0.09 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.63 2jgf h LEU 459 N 0.00 0.00 -8.61 2.35 3.38 -1.50 -3.39 115.31 107.55 2jgf h LEU 459 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2jgf h LEU 459 Cb 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2jgf h LEU 459 CO 0.00 0.00 0.92 -0.62 0.09 0.00 0.00 178.44 178.83 2jgf s ASP 460 N -4.53 6.48 0.42 -0.43 -1.08 -0.52 -4.78 116.67 112.23 2jgf s ASP 460 Ca 0.03 0.14 0.29 0.00 -0.52 0.00 0.00 52.55 52.50 2jgf s ASP 460 Cb 0.09 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 40.27 2jgf s ASP 460 CO 0.42 -1.40 1.87 -0.65 0.52 0.00 0.00 175.17 175.93 2jgf h PRO 461 N 9.44 0.00 -0.00 4.34 0.11 -1.87 -1.74 132.00 142.29 2jgf h PRO 461 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2jgf h PRO 461 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jgf h PRO 461 CO 1.16 0.00 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.82 2jgf n SER 462 N -2.66 0.01 -0.37 -2.05 3.41 -1.26 -3.25 113.62 107.44 2jgf n SER 462 Ca 0.01 -0.77 0.12 0.00 -0.26 0.00 0.00 58.87 57.97 2jgf n SER 462 Cb 0.24 -0.08 0.21 0.00 -0.26 0.00 0.00 64.21 64.32 2jgf n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgf n LEU 463 N -1.07 1.50 -2.05 1.04 4.77 -0.65 -4.98 117.00 115.56 2jgf n LEU 463 Ca 0.21 -0.49 -0.16 0.00 -0.03 0.00 0.00 56.01 55.53 2jgf n LEU 463 Cb 0.15 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2jgf n LEU 463 CO 0.19 0.28 -0.11 0.59 -1.33 0.00 0.00 177.39 177.01 2jgf n ASN 464 N -0.34 -4.87 -4.79 -1.43 3.02 -1.20 -4.99 115.26 100.66 2jgf n ASN 464 Ca 0.11 -0.11 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 2jgf n ASN 464 Cb 0.40 -3.87 -0.06 0.00 -0.61 0.00 0.00 39.78 35.64 2jgf n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jgf s TYR 465 N -2.90 3.71 0.70 3.10 2.02 -1.26 -4.83 117.35 117.89 2jgf s TYR 465 Ca 0.10 1.71 -0.16 0.00 -0.37 0.00 0.00 57.07 58.36 2jgf s TYR 465 Cb -0.05 -2.86 0.02 0.00 -0.40 0.00 0.00 41.96 38.68 2jgf s TYR 465 CO 0.13 0.26 1.22 0.95 -1.57 0.00 0.00 175.55 176.54 2jgf s THR 466 N -1.56 2.32 0.28 -0.71 -4.23 -1.26 -4.81 115.64 105.67 2jgf s THR 466 Ca 0.48 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 61.17 2jgf s THR 466 Cb -0.19 -2.82 0.28 0.00 1.34 0.00 0.00 72.50 71.11 2jgf s THR 466 CO 0.24 -0.08 1.69 0.74 -0.54 0.00 0.00 174.62 176.67 2jgf h THR 467 N -0.05 0.48 -0.21 3.99 2.02 -1.96 -0.83 112.91 116.35 2jgf h THR 467 Ca -0.48 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 66.59 2jgf h THR 467 Cb 1.30 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2jgf h THR 467 CO 0.51 0.07 0.08 -0.33 0.37 0.00 0.00 175.52 176.22 2jgf h GLU 468 N 0.36 0.18 0.00 6.66 3.07 -2.00 -1.98 114.58 120.87 2jgf h GLU 468 Ca 0.52 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.35 2jgf h GLU 468 Cb 0.96 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 2jgf h GLU 468 CO -0.53 0.12 -0.07 0.93 -1.40 0.00 0.00 179.01 178.06 2jgf h GLU 469 N 0.19 0.00 -0.04 2.33 5.08 -1.54 0.52 114.58 121.12 2jgf h GLU 469 Ca 0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 2jgf h GLU 469 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2jgf h GLU 469 CO -0.08 0.07 -0.88 -0.09 -1.00 0.00 0.00 179.01 177.02 2jgf h ARG 470 N 0.00 0.50 -0.04 2.33 1.12 -0.60 -1.72 114.38 115.97 2jgf h ARG 470 Ca -0.00 -0.48 -0.24 0.00 -1.11 0.00 0.00 59.98 58.15 2jgf h ARG 470 Cb 0.15 0.12 0.02 0.00 -0.01 0.00 0.00 29.97 30.26 2jgf h ARG 470 CO 0.01 1.12 -0.91 0.82 -3.11 0.00 0.00 179.97 177.89 2jgf h ILE 471 N 0.30 1.30 -0.46 1.20 2.04 -0.56 -2.20 117.51 119.13 2jgf h ILE 471 Ca -0.07 -2.15 0.08 0.00 1.00 0.00 0.00 64.86 63.73 2jgf h ILE 471 Cb 1.51 2.31 -0.07 0.00 -0.74 0.00 0.00 36.82 39.82 2jgf h ILE 471 CO 0.16 0.66 0.01 0.15 0.00 0.00 0.00 178.15 179.14 2jgf h PHE 472 N 0.36 -0.00 -0.58 1.37 3.57 -0.98 -0.10 116.94 120.57 2jgf h PHE 472 Ca -0.10 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 2jgf h PHE 472 Cb 1.57 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 40.35 2jgf h PHE 472 CO 0.11 -0.08 0.14 0.00 -2.23 0.00 0.00 178.31 176.24 2jgf h ALA 473 N 1.40 1.15 -0.63 2.41 0.00 -1.23 -0.75 119.26 121.61 2jgf h ALA 473 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2jgf h ALA 473 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jgf h ALA 473 CO -0.37 0.58 0.12 1.96 0.00 0.00 0.00 179.25 181.54 2jgf h GLN 474 N 0.87 1.04 -0.30 0.00 4.20 -0.80 -0.92 115.11 119.19 2jgf h GLN 474 Ca 0.19 -0.27 0.04 0.00 0.06 0.00 0.00 58.65 58.67 2jgf h GLN 474 Cb 0.32 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2jgf h GLN 474 CO -0.00 0.96 0.06 0.00 -0.67 0.00 0.00 178.83 179.18 2jgf h ARG 475 N 0.95 0.16 -0.45 1.46 3.08 -0.20 -1.96 114.38 117.43 2jgf h ARG 475 Ca 0.19 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 2jgf h ARG 475 Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2jgf h ARG 475 CO 0.01 0.11 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.87 2jgf h LEU 476 N 0.17 0.84 -1.60 3.04 3.38 -0.86 -1.09 115.31 119.19 2jgf h LEU 476 Ca 0.14 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2jgf h LEU 476 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jgf h LEU 476 CO -0.19 0.99 0.05 0.24 0.09 0.00 0.00 178.44 179.62 2jgf h MET 477 N 0.67 0.30 -0.18 1.13 2.86 -1.06 -0.12 114.93 118.54 2jgf h MET 477 Ca 0.12 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 2jgf h MET 477 Cb 0.60 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 2jgf h MET 477 CO 0.04 0.29 -0.27 -0.22 1.06 0.00 0.00 176.91 177.81 2jgf h LYS 478 N 0.30 0.50 0.33 1.72 1.63 -0.64 -1.29 116.57 119.11 2jgf h LYS 478 Ca 0.07 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 2jgf h LYS 478 Cb 0.13 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2jgf h LYS 478 CO -0.00 0.89 -0.18 1.88 -3.45 0.00 0.00 179.45 178.59 2jgf h TYR 479 N 0.15 -0.46 -0.44 1.91 0.05 -0.54 0.28 116.97 117.92 2jgf h TYR 479 Ca 0.02 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2jgf h TYR 479 Cb 0.84 0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.70 2jgf h TYR 479 CO 0.09 -0.28 0.23 -1.49 -1.05 0.00 0.00 178.16 175.65 2jgf h TRP 480 N -0.47 0.42 -0.01 4.88 -0.00 -1.10 0.12 115.95 119.79 2jgf h TRP 480 Ca -0.04 0.02 -0.22 0.00 -0.00 0.00 0.00 58.89 58.65 2jgf h TRP 480 Cb 0.38 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.16 29.41 2jgf h TRP 480 CO -0.07 0.22 -0.90 1.79 -0.00 0.00 0.00 178.44 179.48 2jgf h THR 481 N 0.46 1.41 -1.00 1.49 1.35 -1.13 0.78 112.91 116.26 2jgf h THR 481 Ca 0.19 -2.42 0.02 0.00 -0.55 0.00 0.00 66.41 63.64 2jgf h THR 481 Cb 0.08 2.38 -0.05 0.00 -1.73 0.00 0.00 68.15 68.83 2jgf h THR 481 CO -0.12 0.72 0.66 0.78 -0.25 0.00 0.00 175.52 177.31 2jgf h ASN 482 N 0.23 1.14 0.15 5.36 2.35 -0.28 0.44 115.58 124.96 2jgf h ASN 482 Ca -0.07 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2jgf h ASN 482 Cb 1.53 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2jgf h ASN 482 CO 0.15 0.81 -0.07 0.15 -1.65 0.00 0.00 177.43 176.83 2jgf h PHE 483 N 1.34 -0.18 -0.45 1.19 3.57 -0.44 -0.04 116.94 121.92 2jgf h PHE 483 Ca 0.37 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.95 2jgf h PHE 483 Cb -0.13 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 2jgf h PHE 483 CO -0.00 -0.09 -0.02 0.00 -2.23 0.00 0.00 178.31 175.97 2jgf h ALA 484 N 0.62 0.40 -0.66 2.41 0.00 -0.19 0.53 119.26 122.37 2jgf h ALA 484 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jgf h ALA 484 Cb 0.18 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jgf h ALA 484 CO 0.03 -0.40 0.43 0.00 0.00 0.00 0.00 179.25 179.31 2jgf h ARG 485 N 0.09 0.85 0.00 0.00 3.08 0.03 -3.40 114.38 115.04 2jgf h ARG 485 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2jgf h ARG 485 Cb 0.33 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2jgf h ARG 485 CO -0.39 0.56 -0.32 0.25 -1.07 0.00 0.00 179.97 179.01 2jgf n THR 486 N -4.64 0.00 -0.62 2.04 -2.24 -0.04 -5.00 114.28 103.77 2jgf n THR 486 Ca 0.06 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jgf n THR 486 Cb 0.03 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2jgf n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jgf n GLY 487 N 1.06 0.77 2.71 3.38 0.00 0.18 -5.02 105.19 108.27 2jgf n GLY 487 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2jgf n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jgf s ASP 488 N -2.67 1.30 0.00 1.61 -1.08 -1.25 -4.81 116.67 109.76 2jgf s ASP 488 Ca 0.00 0.02 0.25 0.00 -0.52 0.00 0.00 52.55 52.31 2jgf s ASP 488 Cb 0.00 -0.25 1.43 0.00 -1.46 0.00 0.00 42.92 42.64 2jgf s ASP 488 CO 0.00 -0.23 1.87 -0.81 0.52 0.00 0.00 175.17 176.52 2jgf n PRO 489 N 5.25 0.63 -2.82 4.34 -0.04 -1.26 -3.09 135.00 138.02 2jgf n PRO 489 Ca -0.04 0.02 -0.40 0.00 -0.04 0.00 0.00 63.50 63.04 2jgf n PRO 489 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2jgf n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jgf s ASN 490 N -2.21 7.55 -0.34 3.54 0.01 -1.26 -4.33 114.94 117.90 2jgf s ASN 490 Ca 0.33 1.84 -0.28 0.00 -0.71 0.00 0.00 52.86 54.03 2jgf s ASN 490 Cb 0.17 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 2jgf s ASN 490 CO 0.33 0.14 1.82 -0.62 -1.51 0.00 0.00 177.10 177.26 2jgf s ASP 491 N -1.00 5.84 0.00 -1.22 -1.08 -1.26 -4.83 116.67 113.12 2jgf s ASP 491 Ca 0.40 1.27 0.00 0.00 -0.52 0.00 0.00 52.55 53.70 2jgf s ASP 491 Cb -0.25 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 2jgf s ASP 491 CO 0.30 -1.76 0.68 -0.81 0.52 0.00 0.00 175.17 174.10 2jgf n PRO 492 N 8.47 0.71 -3.55 4.34 -0.04 -1.26 -3.20 135.00 140.47 2jgf n PRO 492 Ca 0.23 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 2jgf n PRO 492 Cb 0.47 -1.03 -0.12 0.00 -0.04 0.00 0.00 33.50 32.78 2jgf n PRO 492 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jgf s ARG 493 N -1.92 0.89 0.00 0.54 1.81 -1.26 -5.11 118.95 113.90 2jgf s ARG 493 Ca 0.00 -1.70 0.00 0.00 -1.72 0.00 0.00 55.73 52.31 2jgf s ARG 493 Cb 0.00 -1.71 0.00 0.00 -0.45 0.00 0.00 34.95 32.79 2jgf s ARG 493 CO 0.00 -1.22 0.00 -3.47 -0.68 0.00 0.00 175.30 169.93 2jgf n ASP 494 N 3.67 0.00 0.00 0.23 2.03 -1.19 -5.07 116.55 116.21 2jgf n ASP 494 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2jgf n ASP 494 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 2jgf n ASP 494 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jgf n SER 495 N 0.00 0.00 -4.65 1.67 7.64 -1.26 -5.01 113.62 112.01 2jgf n SER 495 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2jgf n SER 495 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2jgf n SER 495 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2jgf s LYS 496 N -1.00 4.15 0.00 1.43 2.47 -1.26 -4.51 119.74 121.02 2jgf s LYS 496 Ca 0.00 1.57 0.00 0.00 -1.56 0.00 0.00 55.97 55.98 2jgf s LYS 496 Cb 0.00 -3.80 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 2jgf s LYS 496 CO 0.00 -0.82 0.00 0.45 0.16 0.00 0.00 175.35 175.14 2jgf n SER 497 N 6.89 -0.62 -4.66 1.43 2.88 -1.26 -5.08 113.62 113.19 2jgf n SER 497 Ca 0.14 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.38 2jgf n SER 497 Cb 0.45 -0.04 0.17 0.00 -0.75 0.00 0.00 64.21 64.04 2jgf n SER 497 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2jgf s PRO 498 N -3.75 0.80 0.41 -1.46 0.02 -1.26 -4.97 135.00 124.79 2jgf s PRO 498 Ca 0.00 1.01 -0.23 0.00 0.02 0.00 0.00 61.00 61.81 2jgf s PRO 498 Cb 0.00 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.68 2jgf s PRO 498 CO 0.00 -2.61 0.98 -0.65 -0.33 0.00 0.00 177.00 174.39 2jgf s GLN 499 N -4.77 4.22 -0.52 5.54 -1.52 -1.26 -4.89 119.66 116.47 2jgf s GLN 499 Ca 0.65 1.29 -0.26 0.00 -1.95 0.00 0.00 55.36 55.09 2jgf s GLN 499 Cb -0.20 -2.38 0.03 0.00 -0.22 0.00 0.00 33.01 30.24 2jgf s GLN 499 CO 0.59 -0.05 1.03 -0.46 -0.25 0.00 0.00 175.29 176.14 2jgf s TRP 500 N -1.91 2.79 0.39 0.91 -0.11 -1.26 -4.95 118.94 114.80 2jgf s TRP 500 Ca 0.59 0.33 -0.16 0.00 1.22 0.00 0.00 56.10 58.09 2jgf s TRP 500 Cb -0.15 -4.21 -0.09 0.00 -1.50 0.00 0.00 33.47 27.53 2jgf s TRP 500 CO 0.20 -1.31 0.83 -1.25 -4.62 0.00 0.00 176.95 170.79 2jgf s PRO 501 N 4.21 4.01 0.52 5.86 0.04 -1.26 -4.91 135.00 143.47 2jgf s PRO 501 Ca 0.38 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 61.99 2jgf s PRO 501 Cb -0.10 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 2jgf s PRO 501 CO 0.25 0.01 1.19 -2.30 0.04 0.00 0.00 177.00 176.19 2jgf n PRO 502 N -0.77 1.47 -2.68 0.56 -0.02 -1.26 -4.67 135.00 127.62 2jgf n PRO 502 Ca 0.05 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 2jgf n PRO 502 Cb 0.54 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 2jgf n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgf s TYR 503 N -1.33 3.83 0.06 6.00 6.14 0.56 -4.52 117.35 128.08 2jgf s TYR 503 Ca 0.70 1.81 0.00 0.00 0.64 0.00 0.00 57.07 60.22 2jgf s TYR 503 Cb -0.45 -3.08 -0.04 0.00 0.42 0.00 0.00 41.96 38.81 2jgf s TYR 503 CO 0.51 0.12 -0.04 0.95 0.64 0.00 0.00 175.55 177.73 2jgf s THR 504 N -0.61 0.35 0.25 4.34 -4.23 -1.26 -4.36 115.64 110.11 2jgf s THR 504 Ca 0.45 -1.69 0.11 0.00 -1.18 0.00 0.00 61.69 59.38 2jgf s THR 504 Cb -0.26 -1.35 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 2jgf s THR 504 CO 0.32 -0.87 1.59 0.71 -0.54 0.00 0.00 174.62 175.84 2jgf h THR 505 N 3.37 1.42 0.20 3.99 1.35 -1.90 0.11 112.91 121.44 2jgf h THR 505 Ca -0.34 -2.18 -0.01 0.00 -0.55 0.00 0.00 66.41 63.33 2jgf h THR 505 Cb 1.16 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 2jgf h THR 505 CO 0.61 0.61 -0.10 0.00 -0.25 0.00 0.00 175.52 176.40 2jgf h ALA 506 N 1.37 -0.71 0.00 6.62 0.00 -1.99 -3.39 119.26 121.16 2jgf h ALA 506 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2jgf h ALA 506 Cb 1.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2jgf h ALA 506 CO 0.08 -0.69 -0.93 0.00 0.00 0.00 0.00 179.25 177.72 2jgf h ALA 507 N -1.77 0.64 -6.45 0.00 0.00 -1.97 -3.48 119.26 106.22 2jgf h ALA 507 Ca -0.03 -0.66 -0.50 0.00 0.00 0.00 0.00 54.91 53.72 2jgf h ALA 507 Cb 0.20 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2jgf h ALA 507 CO 0.04 0.81 -0.82 1.04 0.00 0.00 0.00 179.25 180.32 2jgf n GLN 508 N -3.10 -4.20 -3.01 0.00 6.02 0.37 -4.32 117.38 109.14 2jgf n GLN 508 Ca -0.03 0.49 -0.40 0.00 -0.01 0.00 0.00 57.00 57.05 2jgf n GLN 508 Cb 0.80 -5.09 -0.05 0.00 1.02 0.00 0.00 30.24 26.92 2jgf n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jgf s GLN 509 N -6.61 4.45 0.19 -1.09 -0.21 -1.26 0.46 119.66 115.59 2jgf s GLN 509 Ca 0.43 0.96 -0.00 0.00 0.02 0.00 0.00 55.36 56.77 2jgf s GLN 509 Cb -0.23 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.31 2jgf s GLN 509 CO 0.87 0.11 0.10 1.52 -2.12 0.00 0.00 175.29 175.76 2jgf s TYR 510 N 0.62 1.15 0.10 0.91 1.13 0.29 -3.84 117.35 117.70 2jgf s TYR 510 Ca 0.39 -1.29 0.10 0.00 -1.41 0.00 0.00 57.07 54.85 2jgf s TYR 510 Cb -0.19 -0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 40.04 2jgf s TYR 510 CO 0.20 -0.53 -0.23 0.14 -2.51 0.00 0.00 175.55 172.61 2jgf s VAL 511 N -4.04 2.49 -0.05 -3.49 -7.23 -0.79 -0.15 120.40 107.14 2jgf s VAL 511 Ca 0.34 -1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 58.71 2jgf s VAL 511 Cb 0.07 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2jgf s VAL 511 CO 0.09 0.17 0.75 -0.94 -0.31 0.00 0.00 175.10 174.85 2jgf s SER 512 N -1.88 7.05 -0.34 4.85 1.04 -0.72 -1.33 113.70 122.37 2jgf s SER 512 Ca 0.15 1.27 -0.11 0.00 0.48 0.00 0.00 55.95 57.74 2jgf s SER 512 Cb -0.10 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2jgf s SER 512 CO 0.07 -0.14 0.19 -0.76 0.98 0.00 0.00 173.24 173.58 2jgf s LEU 513 N 0.81 4.45 0.00 2.42 1.43 0.20 -4.07 118.68 123.93 2jgf s LEU 513 Ca 0.40 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2jgf s LEU 513 Cb -0.18 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2jgf s LEU 513 CO 0.20 -0.29 0.00 -0.46 0.23 0.00 0.00 176.35 176.03 2jgf n ASN 514 N 5.02 0.00 0.16 2.29 0.23 -1.26 -0.36 115.26 121.34 2jgf n ASN 514 Ca -0.13 -0.87 0.01 0.00 -0.53 0.00 0.00 54.58 53.06 2jgf n ASN 514 Cb 0.48 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.45 2jgf n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jgf h LEU 515 N 0.00 0.00-10.31 -4.53 3.38 -1.95 -3.43 115.31 98.47 2jgf h LEU 515 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2jgf h LEU 515 Cb 0.00 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.86 2jgf h LEU 515 CO 0.00 0.49 0.35 -0.54 0.09 0.00 0.00 178.44 178.83 2jgf s LYS 516 N -3.87 2.64 0.87 1.13 1.02 -1.26 -5.00 119.74 115.28 2jgf s LYS 516 Ca -0.02 1.09 -0.13 0.00 0.02 0.00 0.00 55.97 56.93 2jgf s LYS 516 Cb 0.13 -1.95 0.06 0.00 -0.52 0.00 0.00 37.83 35.55 2jgf s LYS 516 CO 0.74 -1.34 0.77 -2.30 -0.92 0.00 0.00 175.35 172.29 2jgf n PRO 517 N -3.22 -0.11 -1.56 -1.68 -0.02 -1.26 -4.86 135.00 122.30 2jgf n PRO 517 Ca 0.08 0.03 -0.52 0.00 -2.02 0.00 0.00 63.50 61.07 2jgf n PRO 517 Cb 0.53 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 2jgf n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgf n LEU 518 N -2.20 1.10 -4.29 2.45 4.77 -1.26 -4.95 117.00 112.62 2jgf n LEU 518 Ca 0.10 1.14 -0.32 0.00 -0.03 0.00 0.00 56.01 56.89 2jgf n LEU 518 Cb 0.52 -1.13 -0.16 0.00 -2.33 0.00 0.00 43.42 40.32 2jgf n LEU 518 CO 0.50 -1.44 -0.51 -0.70 -1.33 0.00 0.00 177.39 173.91 2jgf s GLU 519 N -0.05 3.20 -0.09 3.23 2.12 -1.26 -4.57 118.70 121.28 2jgf s GLU 519 Ca 0.80 -0.79 -0.24 0.00 0.36 0.00 0.00 54.97 55.10 2jgf s GLU 519 Cb -0.97 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2jgf s GLU 519 CO 0.51 0.20 0.72 0.08 -0.54 0.00 0.00 175.26 176.23 2jgf s VAL 520 N 0.34 5.01 0.28 3.70 1.01 -1.26 -1.75 120.40 127.73 2jgf s VAL 520 Ca -0.15 1.46 0.10 0.00 0.00 0.00 0.00 61.98 63.39 2jgf s VAL 520 Cb -0.17 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2jgf s VAL 520 CO 0.08 0.20 -0.14 -0.13 0.00 0.00 0.00 175.10 175.10 2jgf s ARG 521 N 1.12 1.61 -0.05 2.72 0.52 0.79 -4.97 118.95 120.69 2jgf s ARG 521 Ca 0.37 -1.77 0.06 0.00 -0.52 0.00 0.00 55.73 53.87 2jgf s ARG 521 Cb -0.17 -1.52 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 2jgf s ARG 521 CO 0.17 0.21 -0.22 1.03 0.02 0.00 0.00 175.30 176.51 2jgf s ARG 522 N -3.59 2.26 0.01 3.54 0.52 -1.26 -0.55 118.95 119.87 2jgf s ARG 522 Ca 0.29 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 2jgf s ARG 522 Cb -0.01 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2jgf s ARG 522 CO 0.13 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.20 2jgf n GLY 523 N 2.99 -3.42 3.37 -3.53 0.00 0.17 -4.91 105.19 99.86 2jgf n GLY 523 Ca -0.18 -0.56 -0.46 0.00 0.00 0.00 0.00 46.02 44.83 2jgf n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgf s LEU 524 N -0.08 6.13 -1.43 0.99 2.96 -1.26 -4.19 118.68 121.80 2jgf s LEU 524 Ca 0.00 -2.60 -0.10 0.00 -0.22 0.00 0.00 54.13 51.21 2jgf s LEU 524 Cb 0.00 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.45 2jgf s LEU 524 CO 0.00 -0.70 1.05 0.54 -1.32 0.00 0.00 176.35 175.92 2jgf n ARG 525 N 4.71 -6.81 -0.21 1.98 5.12 -1.26 -4.76 116.66 115.43 2jgf n ARG 525 Ca 0.19 0.76 -0.00 0.00 -1.93 0.00 0.00 57.85 56.87 2jgf n ARG 525 Cb 0.47 -5.74 0.07 0.00 -1.16 0.00 0.00 32.46 26.10 2jgf n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jgf h ALA 526 N 1.00 0.45 -0.10 7.54 0.00 -1.93 0.35 119.26 126.58 2jgf h ALA 526 Ca -0.56 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2jgf h ALA 526 Cb 1.37 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 2jgf h ALA 526 CO 0.59 -0.42 -0.02 1.96 0.00 0.00 0.00 179.25 181.36 2jgf h GLN 527 N 0.02 0.18 -0.47 0.00 1.08 -1.95 -1.75 115.11 112.22 2jgf h GLN 527 Ca 0.30 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.34 2jgf h GLN 527 Cb 0.47 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 2jgf h GLN 527 CO -0.62 0.49 -0.07 1.15 -0.95 0.00 0.00 178.83 178.82 2jgf h THR 528 N -0.14 1.26 0.00 -0.54 2.02 -1.80 -2.37 112.91 111.34 2jgf h THR 528 Ca 0.02 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.01 2jgf h THR 528 Cb 0.42 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2jgf h THR 528 CO 0.01 0.40 -0.26 0.00 0.37 0.00 0.00 175.52 176.03 2jgf h ALA 530 N 1.74 1.16 0.17 0.00 0.00 -0.92 0.32 119.26 121.72 2jgf h ALA 530 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jgf h ALA 530 Cb 0.95 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jgf h ALA 530 CO 0.03 0.62 -0.11 0.35 0.00 0.00 0.00 179.25 180.15 2jgf h PHE 531 N 1.09 -0.28 -0.31 0.00 3.57 -0.90 -0.35 116.94 119.76 2jgf h PHE 531 Ca 0.26 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 2jgf h PHE 531 Cb 0.15 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2jgf h PHE 531 CO 0.02 -0.17 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.27 2jgf h TRP 532 N -0.27 0.76 0.00 0.41 4.06 -1.31 -0.90 115.95 118.69 2jgf h TRP 532 Ca -0.01 -0.19 -0.07 0.00 2.06 0.00 0.00 58.89 60.68 2jgf h TRP 532 Cb 0.23 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 2jgf h TRP 532 CO -0.09 0.89 -1.10 -0.91 -3.56 0.00 0.00 178.44 173.66 2jgf h ASN 533 N 0.41 0.00 0.00 -3.49 2.35 -0.39 -3.38 115.58 111.08 2jgf h ASN 533 Ca 0.07 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 2jgf h ASN 533 Cb 0.69 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 2jgf h ASN 533 CO 0.05 0.24 -1.48 0.54 -1.65 0.00 0.00 177.43 175.12 2jgf n ARG 534 N -2.79 0.20 -0.06 0.81 1.74 -0.18 -4.82 116.66 111.55 2jgf n ARG 534 Ca -0.03 0.06 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 2jgf n ARG 534 Cb 0.67 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 31.05 2jgf n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jgf h PHE 535 N -0.13 0.00 -0.76 -1.55 3.57 -0.99 -3.36 116.94 113.72 2jgf h PHE 535 Ca -0.20 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.45 2jgf h PHE 535 Cb 1.25 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.89 2jgf h PHE 535 CO -0.01 0.22 0.29 -0.07 -2.23 0.00 0.00 178.31 176.52 2jgf h LEU 536 N -1.00 0.25 -0.79 0.59 3.38 -1.35 0.35 115.31 116.73 2jgf h LEU 536 Ca -0.02 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.25 2jgf h LEU 536 Cb 0.33 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.05 2jgf h LEU 536 CO -0.01 0.08 0.01 -0.65 0.09 0.00 0.00 178.44 177.95 2jgf h PRO 537 N 0.42 0.09 -0.24 1.13 0.11 -1.76 -1.34 132.00 130.40 2jgf h PRO 537 Ca 0.42 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.46 2jgf h PRO 537 Cb 0.67 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 2jgf h PRO 537 CO -0.43 0.06 -0.14 0.87 -0.21 0.00 0.00 178.00 178.15 2jgf h LYS 538 N 0.09 0.41 0.00 1.05 1.57 -1.10 0.28 116.57 118.88 2jgf h LYS 538 Ca 0.44 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2jgf h LYS 538 Cb 0.79 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2jgf h LYS 538 CO -0.70 0.55 -0.08 1.25 -0.57 0.00 0.00 179.45 179.90 2jgf h LEU 539 N 0.38 0.00 0.00 2.94 5.85 -0.73 -2.24 115.31 121.51 2jgf h LEU 539 Ca 0.07 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.57 2jgf h LEU 539 Cb 0.48 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2jgf h LEU 539 CO 0.03 0.08 -1.98 0.18 -0.34 0.00 0.00 178.44 176.41 2jgf n LEU 540 N -3.56 0.00 -0.00 2.25 4.77 -0.64 -3.16 117.00 116.65 2jgf n LEU 540 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2jgf n LEU 540 Cb 0.20 0.30 0.67 0.00 -2.33 0.00 0.00 43.42 42.26 2jgf n LEU 540 CO 0.28 0.30 0.97 -1.54 -1.33 0.00 0.00 177.39 176.07 2jgf n SER 541 N -2.46 0.03 0.00 -1.43 3.41 0.89 -4.52 113.62 109.54 2jgf n SER 541 Ca -0.20 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2jgf n SER 541 Cb 0.88 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2jgf n SER 541 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jgf n ALA 542 N -1.39 2.49 -1.54 7.33 0.00 -0.85 -5.05 120.51 121.49 2jgf n ALA 542 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 2jgf n ALA 542 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 2jgf n ALA 542 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jgf n THR 543 N -1.73 -0.11 0.00 0.00 -1.04 -1.19 -5.07 114.28 105.14 2jgf n THR 543 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jgf n THR 543 Cb 0.00 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 2jgf n THR 543 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43