#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgf n GLY 2 N 0.00 3.61 0.45 -1.84 0.00 -1.26 -4.90 105.19 101.26 2jgf n GLY 2 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.49 2jgf n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgf n ARG 3 N 0.00 1.59 -1.91 1.61 3.00 -1.26 -5.02 116.66 114.67 2jgf n ARG 3 Ca 0.00 -1.00 -0.30 0.00 -0.01 0.00 0.00 57.85 56.54 2jgf n ARG 3 Cb 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 32.46 31.20 2jgf n ARG 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jgf s GLU 4 N -1.78 3.17 -0.21 5.56 2.02 -1.26 -4.97 118.70 121.23 2jgf s GLU 4 Ca 0.15 0.55 -0.28 0.00 0.02 0.00 0.00 54.97 55.41 2jgf s GLU 4 Cb 0.13 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 2jgf s GLU 4 CO 0.36 -0.82 2.08 0.34 0.02 0.00 0.00 175.26 177.24 2jgf s ASP 5 N -4.28 5.69 0.37 -0.19 -1.08 -1.26 -4.86 116.67 111.07 2jgf s ASP 5 Ca 0.57 1.86 0.24 0.00 -0.52 0.00 0.00 52.55 54.70 2jgf s ASP 5 Cb -0.11 -2.52 1.30 0.00 -1.46 0.00 0.00 42.92 40.14 2jgf s ASP 5 CO 0.52 -1.77 1.73 1.55 0.52 0.00 0.00 175.17 177.71 2jgf h PRO 6 N 13.93 0.00 -0.00 4.34 0.13 -1.98 -1.72 132.00 146.70 2jgf h PRO 6 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2jgf h PRO 6 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jgf h PRO 6 CO 0.97 0.00 -0.10 1.04 -0.23 0.00 0.00 178.00 179.68 2jgf n GLN 7 N -2.35 0.23 -0.19 0.86 1.13 -1.26 -3.84 117.38 111.96 2jgf n GLN 7 Ca -0.02 -0.05 0.07 0.00 -1.94 0.00 0.00 57.00 55.06 2jgf n GLN 7 Cb 0.06 -1.50 0.17 0.00 0.11 0.00 0.00 30.24 29.08 2jgf n GLN 7 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jgf n LEU 8 N -1.35 3.00 -4.30 1.08 4.77 -0.65 -4.84 117.00 114.72 2jgf n LEU 8 Ca 0.10 -1.87 -0.39 0.00 -0.03 0.00 0.00 56.01 53.82 2jgf n LEU 8 Cb 0.31 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2jgf n LEU 8 CO 0.27 0.73 -0.22 -0.76 -1.33 0.00 0.00 177.39 176.08 2jgf s LEU 9 N -1.02 4.49 0.13 2.23 1.43 -1.25 -0.73 118.68 123.97 2jgf s LEU 9 Ca 0.27 -1.12 0.08 0.00 -1.03 0.00 0.00 54.13 52.33 2jgf s LEU 9 Cb 0.14 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2jgf s LEU 9 CO 0.19 -0.36 -0.20 -0.69 0.23 0.00 0.00 176.35 175.52 2jgf s VAL 10 N 1.45 1.79 -0.10 -1.59 1.01 -0.74 -4.99 120.40 117.22 2jgf s VAL 10 Ca -0.00 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.28 2jgf s VAL 10 Cb -0.20 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2jgf s VAL 10 CO 0.04 -0.16 -0.14 -0.60 0.00 0.00 0.00 175.10 174.24 2jgf s ARG 11 N -2.29 3.06 0.44 2.72 3.52 -1.26 0.14 118.95 125.28 2jgf s ARG 11 Ca 0.11 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 2jgf s ARG 11 Cb -0.08 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 2jgf s ARG 11 CO 0.05 0.35 0.04 0.14 -0.81 0.00 0.00 175.30 175.07 2jgf s VAL 12 N -0.02 1.23 0.57 7.11 -7.23 0.97 -4.84 120.40 118.19 2jgf s VAL 12 Ca -0.04 -2.00 0.31 0.00 -1.81 0.00 0.00 61.98 58.44 2jgf s VAL 12 Cb -0.14 -2.48 0.44 0.00 0.56 0.00 0.00 36.38 34.76 2jgf s VAL 12 CO 0.04 0.00 1.85 -0.09 -0.31 0.00 0.00 175.10 176.59 2jgf h ARG 13 N 1.64 0.00 -0.02 4.82 9.65 -1.95 -0.13 114.38 128.40 2jgf h ARG 13 Ca -0.42 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2jgf h ARG 13 Cb 1.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2jgf h ARG 13 CO 0.71 0.00 -0.30 0.41 2.80 0.00 0.00 179.97 183.59 2jgf n GLY 14 N -1.63 0.19 0.00 2.80 0.00 -1.26 -4.87 105.19 100.42 2jgf n GLY 14 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 1.27 0.31 3.83 -0.02 0.00 -0.06 -0.33 105.19 110.19 2jgf n GLY 15 Ca 0.09 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 3.30 -0.06 1.61 -0.21 -1.25 -0.02 119.66 121.02 2jgf s GLN 16 Ca 0.00 -0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.16 2jgf s GLN 16 Cb 0.00 -3.05 -0.00 0.00 1.00 0.00 0.00 33.01 30.96 2jgf s GLN 16 CO 0.00 0.73 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.20 2jgf s LEU 17 N -1.27 1.93 -0.23 2.90 1.43 0.12 -0.34 118.68 123.22 2jgf s LEU 17 Ca 0.18 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2jgf s LEU 17 Cb -0.12 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 2jgf s LEU 17 CO 0.08 0.15 0.12 -0.60 0.23 0.00 0.00 176.35 176.32 2jgf s ARG 18 N 0.20 3.92 0.00 1.70 3.52 -0.03 -1.80 118.95 126.46 2jgf s ARG 18 Ca -0.09 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 2jgf s ARG 18 Cb -0.14 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 2jgf s ARG 18 CO 0.04 0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.96 2jgf n GLY 19 N 4.36 1.71 2.96 8.12 0.00 0.09 -0.25 105.19 122.18 2jgf n GLY 19 Ca -0.16 -2.06 -0.17 0.00 0.00 0.00 0.00 46.02 43.63 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 1.23 0.46 -0.16 -0.61 2.07 -0.09 -4.77 121.20 119.33 2jgf s ILE 20 Ca 0.00 -0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 58.72 2jgf s ILE 20 Cb 0.00 -0.41 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 2jgf s ILE 20 CO 0.00 0.14 1.16 -0.60 -1.91 0.00 0.00 174.94 173.74 2jgf s ARG 21 N 0.02 4.28 0.08 3.50 3.52 -1.26 -1.07 118.95 128.01 2jgf s ARG 21 Ca 0.00 1.55 0.05 0.00 -0.13 0.00 0.00 55.73 57.21 2jgf s ARG 21 Cb -0.04 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 2jgf s ARG 21 CO -0.00 -0.60 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.32 2jgf s LEU 22 N 3.05 3.22 -0.29 -0.88 1.43 0.93 -4.94 118.68 121.20 2jgf s LEU 22 Ca 0.51 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 2jgf s LEU 22 Cb -0.20 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2jgf s LEU 22 CO 0.14 0.20 0.54 -0.75 0.23 0.00 0.00 176.35 176.71 2jgf s LYS 23 N -2.06 3.94 0.38 1.70 2.47 -1.26 -0.42 119.74 124.49 2jgf s LYS 23 Ca 0.22 0.22 0.08 0.00 -1.56 0.00 0.00 55.97 54.92 2jgf s LYS 23 Cb -0.11 -3.70 -0.02 0.00 -1.46 0.00 0.00 37.83 32.53 2jgf s LYS 23 CO 0.14 -0.47 0.37 0.00 0.16 0.00 0.00 175.35 175.55 2jgf s ALA 24 N 2.40 4.02 0.19 3.13 0.00 -0.47 -4.95 121.76 126.08 2jgf s ALA 24 Ca 0.22 -1.73 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 2jgf s ALA 24 Cb -0.15 -1.19 0.19 0.00 0.00 0.00 0.00 23.12 21.96 2jgf s ALA 24 CO 0.11 -0.11 1.73 -1.35 0.00 0.00 0.00 175.76 176.13 2jgf h PRO 25 N 1.08 0.27 -0.16 0.00 0.11 -1.96 -2.65 132.00 128.69 2jgf h PRO 25 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jgf h PRO 25 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jgf h PRO 25 CO 0.56 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 2jgf n GLY 26 N -1.28 -0.01 0.00 -0.55 0.00 -1.26 -5.01 105.19 97.08 2jgf n GLY 26 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.00 3.81 -0.02 0.00 -1.00 -5.09 105.19 104.88 2jgf n GLY 27 Ca 0.13 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.30 3.54 0.07 1.61 0.04 -1.26 -1.37 135.00 136.33 2jgf s PRO 28 Ca 0.00 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.24 2jgf s PRO 28 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2jgf s PRO 28 CO 0.00 -0.62 -0.12 0.14 0.04 0.00 0.00 177.00 176.44 2jgf s VAL 29 N -2.44 0.96 -0.13 -0.36 -7.23 0.45 -3.71 120.40 107.93 2jgf s VAL 29 Ca 0.63 -1.34 -0.22 0.00 -1.81 0.00 0.00 61.98 59.24 2jgf s VAL 29 Cb -0.14 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2jgf s VAL 29 CO 0.33 -0.34 0.64 -0.44 -0.31 0.00 0.00 175.10 174.99 2jgf s SER 30 N -1.88 6.81 -0.09 4.85 0.01 0.38 -0.05 113.70 123.73 2jgf s SER 30 Ca -0.02 0.98 0.03 0.00 1.31 0.00 0.00 55.95 58.26 2jgf s SER 30 Cb -0.08 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2jgf s SER 30 CO 0.01 -0.17 -0.19 0.00 0.41 0.00 0.00 173.24 173.30 2jgf s ALA 31 N 1.27 1.81 -0.36 1.44 0.00 -0.23 -0.99 121.76 124.69 2jgf s ALA 31 Ca 0.32 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2jgf s ALA 31 Cb -0.16 -0.72 0.10 0.00 0.00 0.00 0.00 23.12 22.34 2jgf s ALA 31 CO 0.13 0.21 0.11 -0.06 0.00 0.00 0.00 175.76 176.16 2jgf s PHE 32 N 0.48 3.61 0.00 0.00 0.40 0.11 -0.91 117.98 121.67 2jgf s PHE 32 Ca -0.17 -2.57 0.01 0.00 -0.60 0.00 0.00 56.93 53.60 2jgf s PHE 32 Cb -0.17 -2.94 -0.04 0.00 0.51 0.00 0.00 43.02 40.38 2jgf s PHE 32 CO 0.07 -0.94 0.02 -0.51 0.70 0.00 0.00 175.22 174.56 2jgf s LEU 33 N 1.06 3.61 -1.03 -0.37 1.43 0.78 -0.55 118.68 123.62 2jgf s LEU 33 Ca 0.07 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 2jgf s LEU 33 Cb -0.21 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.92 2jgf s LEU 33 CO -0.05 0.27 0.90 0.61 0.23 0.00 0.00 176.35 178.30 2jgf n GLY 34 N 1.28 -0.18 3.67 -3.19 0.00 -0.78 -3.97 105.19 102.02 2jgf n GLY 34 Ca -0.14 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.24 4.61 0.11 -0.61 1.01 0.44 -4.75 121.20 118.77 2jgf s ILE 35 Ca 0.43 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.69 2jgf s ILE 35 Cb -0.19 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 2jgf s ILE 35 CO 0.55 -0.07 1.20 -2.16 0.00 0.00 0.00 174.94 174.46 2jgf s PRO 36 N 2.61 4.46 0.00 2.79 0.04 -1.26 -0.14 135.00 143.49 2jgf s PRO 36 Ca 0.49 1.82 0.10 0.00 0.04 0.00 0.00 61.00 63.45 2jgf s PRO 36 Cb -0.18 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 2jgf s PRO 36 CO 0.14 -0.19 0.53 1.97 0.04 0.00 0.00 177.00 179.49 2jgf n PHE 37 N 3.35 0.00 -4.02 0.56 1.16 -1.11 -4.84 117.46 112.55 2jgf n PHE 37 Ca 0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.57 2jgf n PHE 37 Cb 0.45 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.23 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 -1.65 0.28 0.35 1.98 0.00 -1.25 -2.07 121.76 119.40 2jgf s ALA 38 Ca 0.06 -0.93 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 2jgf s ALA 38 Cb 0.08 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.35 2jgf s ALA 38 CO 0.33 -0.32 1.33 -1.21 0.00 0.00 0.00 175.76 175.88 2jgf s GLU 39 N -3.16 4.28 -0.01 0.00 0.41 0.37 -4.42 118.70 116.17 2jgf s GLU 39 Ca -0.00 2.25 -0.34 0.00 -0.41 0.00 0.00 54.97 56.47 2jgf s GLU 39 Cb 0.02 -3.02 -0.12 0.00 -1.78 0.00 0.00 34.13 29.23 2jgf s GLU 39 CO -0.07 -0.26 1.79 -2.30 -0.49 0.00 0.00 175.26 173.92 2jgf n PRO 40 N 0.68 2.17 -0.88 0.39 -0.02 -1.26 -4.70 135.00 131.38 2jgf n PRO 40 Ca 0.00 0.79 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2jgf n PRO 40 Cb 0.42 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 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 5.64 2.19 -3.32 0.52 -0.04 -1.26 -4.88 135.00 133.84 2jgf n PRO 41 Ca 0.21 -1.29 -0.20 0.00 -0.04 0.00 0.00 63.50 62.17 2jgf n PRO 41 Cb 0.29 -2.26 0.01 0.00 -0.04 0.00 0.00 33.50 31.51 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 2.19 2.39 0.00 0.52 -7.23 -1.26 -3.34 120.40 113.67 2jgf s VAL 42 Ca 0.52 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 2jgf s VAL 42 Cb 0.19 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2jgf s VAL 42 CO -0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2jgf n GLY 43 N -1.88 3.66 0.00 2.32 0.00 -1.26 0.24 105.19 108.27 2jgf n GLY 43 Ca 0.07 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 6.70 0.00 -0.16 1.61 3.41 -1.26 -2.80 113.62 121.13 2jgf n SER 44 Ca 0.00 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 2jgf n SER 44 Cb 0.00 -0.38 0.04 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.38 0.41 -1.79 4.33 1.74 0.14 -4.84 116.66 115.26 2jgf n ARG 45 Ca 0.05 -0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.40 2jgf n ARG 45 Cb 0.13 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 2jgf n ARG 45 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jgf s ARG 46 N -2.81 4.14 0.00 5.56 3.52 -1.12 -1.18 118.95 127.06 2jgf s ARG 46 Ca 0.13 2.55 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 2jgf s ARG 46 Cb 0.17 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 2jgf s ARG 46 CO 0.72 -0.63 0.00 1.19 -0.81 0.00 0.00 175.30 175.77 2jgf n PHE 47 N 2.53 0.00 -2.92 5.12 3.72 -1.26 -4.95 117.46 119.70 2jgf n PHE 47 Ca 0.09 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.17 2jgf n PHE 47 Cb 0.37 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.00 3.97 0.55 -1.08 -1.94 -0.32 -4.22 119.30 116.26 2jgf s MET 48 Ca 0.00 0.72 -0.18 0.00 -1.71 0.00 0.00 55.69 54.52 2jgf s MET 48 Cb 0.00 -2.34 -0.10 0.00 2.01 0.00 0.00 34.83 34.40 2jgf s MET 48 CO 0.00 0.02 0.41 -2.30 -0.01 0.00 0.00 175.02 173.14 2jgf n PRO 49 N -0.81 0.42 -2.46 2.03 -0.02 -1.26 -4.90 135.00 128.00 2jgf n PRO 49 Ca 0.04 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2jgf n PRO 49 Cb 0.54 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.86 4.54 -0.13 0.52 0.04 -1.26 -5.03 135.00 131.81 2jgf s PRO 50 Ca 0.66 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 2jgf s PRO 50 Cb -0.46 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 2jgf s PRO 50 CO 0.57 -0.02 0.22 -1.21 0.04 0.00 0.00 177.00 176.59 2jgf s GLU 51 N -0.13 3.92 0.32 4.56 2.02 -1.26 -5.01 118.70 123.12 2jgf s GLU 51 Ca 0.52 -0.02 -0.28 0.00 0.02 0.00 0.00 54.97 55.21 2jgf s GLU 51 Cb -0.30 -3.32 -0.13 0.00 0.10 0.00 0.00 34.13 30.48 2jgf s GLU 51 CO 0.35 0.50 1.10 -2.30 0.02 0.00 0.00 175.26 174.93 2jgf n PRO 52 N 2.78 1.62 -1.84 0.39 -0.02 -1.26 -0.48 135.00 136.19 2jgf n PRO 52 Ca -0.16 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 2jgf n PRO 52 Cb 0.53 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2jgf n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jgf s LYS 53 N -1.72 4.17 0.23 -0.52 2.47 -0.88 -4.12 119.74 119.38 2jgf s LYS 53 Ca 0.58 2.47 -0.30 0.00 -1.56 0.00 0.00 55.97 57.16 2jgf s LYS 53 Cb -0.64 -3.29 -0.09 0.00 -1.46 0.00 0.00 37.83 32.35 2jgf s LYS 53 CO 0.60 -0.71 1.08 1.03 0.16 0.00 0.00 175.35 177.51 2jgf s ARG 54 N 1.71 4.65 0.36 4.03 0.52 -1.26 -4.91 118.95 124.05 2jgf s ARG 54 Ca 0.74 1.72 -0.27 0.00 -0.52 0.00 0.00 55.73 57.41 2jgf s ARG 54 Cb -0.45 -3.24 -0.12 0.00 0.52 0.00 0.00 34.95 31.66 2jgf s ARG 54 CO 0.33 0.20 1.11 -2.30 0.02 0.00 0.00 175.30 174.65 2jgf n PRO 55 N 1.74 1.63 -3.49 3.54 -0.02 -1.26 -5.00 135.00 132.13 2jgf n PRO 55 Ca 0.00 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 2jgf n PRO 55 Cb 0.46 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.15 1.99 0.21 6.00 -2.14 0.55 -5.02 118.94 119.38 2jgf s TRP 56 Ca 0.59 -0.67 0.10 0.00 2.66 0.00 0.00 56.10 58.78 2jgf s TRP 56 Cb -0.60 -2.11 -0.05 0.00 -3.10 0.00 0.00 33.47 27.62 2jgf s TRP 56 CO 0.59 -0.54 -0.19 -1.54 -2.66 0.00 0.00 176.95 172.61 2jgf s SER 57 N -4.34 3.06 0.00 -2.66 1.04 -1.26 -4.65 113.70 104.89 2jgf s SER 57 Ca 0.47 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2jgf s SER 57 Cb -0.04 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2jgf s SER 57 CO 0.29 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2jgf n GLY 58 N -0.12 -2.07 3.49 7.32 0.00 -1.26 -4.74 105.19 107.82 2jgf n GLY 58 Ca -0.10 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 5.26 0.10 1.61 1.01 -1.26 -3.93 120.40 123.19 2jgf s VAL 59 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 2jgf s VAL 59 Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2jgf s VAL 59 CO 0.00 -0.18 1.51 -0.22 0.00 0.00 0.00 175.10 176.21 2jgf s LEU 60 N 1.72 4.36 -0.15 3.92 0.20 0.54 -4.82 118.68 124.45 2jgf s LEU 60 Ca 0.06 2.42 -0.29 0.00 0.69 0.00 0.00 54.13 57.00 2jgf s LEU 60 Cb -0.18 -3.58 -0.01 0.00 -0.43 0.00 0.00 46.19 41.99 2jgf s LEU 60 CO 0.10 -0.77 1.20 -0.62 -0.29 0.00 0.00 176.35 175.97 2jgf s ASP 61 N 1.58 7.00 -0.43 3.68 -1.08 -1.26 -0.85 116.67 125.31 2jgf s ASP 61 Ca 0.68 1.65 0.07 0.00 -0.52 0.00 0.00 52.55 54.43 2jgf s ASP 61 Cb -0.39 -2.54 0.42 0.00 -1.46 0.00 0.00 42.92 38.95 2jgf s ASP 61 CO 0.30 -0.70 1.08 0.00 0.52 0.00 0.00 175.17 176.38 2jgf n ALA 62 N 6.23 4.84 0.25 3.66 0.00 0.66 -4.77 120.51 131.37 2jgf n ALA 62 Ca 0.13 -4.19 0.03 0.00 0.00 0.00 0.00 53.44 49.40 2jgf n ALA 62 Cb 0.45 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 -4.04 0.00 -2.24 -1.25 -0.16 114.28 106.17 2jgf n THR 63 Ca 0.35 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 2jgf n THR 63 Cb 0.67 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.88 2jgf n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jgf s THR 64 N -0.74 0.34 0.63 4.28 -4.23 -1.26 -4.90 115.64 109.75 2jgf s THR 64 Ca 0.06 -1.20 -0.19 0.00 -1.18 0.00 0.00 61.69 59.18 2jgf s THR 64 Cb 0.05 -0.71 -0.02 0.00 1.34 0.00 0.00 72.50 73.16 2jgf s THR 64 CO 0.11 -0.57 1.30 0.49 -0.54 0.00 0.00 174.62 175.41 2jgf n PHE 65 N 1.17 1.97 -2.91 3.99 3.72 -1.26 -3.70 117.46 120.43 2jgf n PHE 65 Ca -0.21 0.42 -0.15 0.00 -0.05 0.00 0.00 57.45 57.46 2jgf n PHE 65 Cb 0.56 -2.28 0.06 0.00 -0.94 0.00 0.00 39.48 36.88 2jgf n PHE 65 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2jgf n GLN 66 N -1.72 0.56 -1.44 -1.08 1.13 -1.26 -4.88 117.38 108.69 2jgf n GLN 66 Ca 0.15 -2.22 -0.37 0.00 -1.94 0.00 0.00 57.00 52.61 2jgf n GLN 66 Cb 0.47 -0.25 0.05 0.00 0.11 0.00 0.00 30.24 30.63 2jgf n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jgf n ASN 67 N -2.61 -0.58 -4.85 1.08 3.02 -1.26 -4.79 115.26 105.27 2jgf n ASN 67 Ca 0.12 0.71 -0.37 0.00 -0.03 0.00 0.00 54.58 55.00 2jgf n ASN 67 Cb 0.44 -1.25 -0.06 0.00 -0.61 0.00 0.00 39.78 38.30 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 -1.73 5.08 0.55 2.41 1.01 0.09 -4.71 120.40 123.10 2jgf s VAL 68 Ca 0.70 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 2jgf s VAL 68 Cb -0.41 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2jgf s VAL 68 CO 0.53 0.53 1.33 0.00 0.00 0.00 0.00 175.10 177.49 2jgf s TYR 70 N -1.34 2.66 0.14 0.00 5.04 -1.18 -4.69 117.35 117.97 2jgf s TYR 70 Ca 0.72 0.32 -0.23 0.00 -2.44 0.00 0.00 57.07 55.44 2jgf s TYR 70 Cb -0.39 -4.06 0.07 0.00 0.35 0.00 0.00 41.96 37.93 2jgf s TYR 70 CO 0.45 -4.12 0.59 1.14 -1.34 0.00 0.00 175.55 172.28 2jgf s GLN 71 N 1.87 1.24 0.23 4.97 -2.07 -1.26 -4.65 119.66 119.98 2jgf s GLN 71 Ca 0.75 -0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 53.57 2jgf s GLN 71 Cb -0.45 0.57 -0.11 0.00 -1.09 0.00 0.00 33.01 31.93 2jgf s GLN 71 CO 0.33 -0.53 1.66 -0.47 -1.32 0.00 0.00 175.29 174.96 2jgf s TYR 72 N -3.48 2.89 -0.25 9.60 6.14 -1.26 -5.00 117.35 125.98 2jgf s TYR 72 Ca -0.00 0.52 -0.09 0.00 0.64 0.00 0.00 57.07 58.14 2jgf s TYR 72 Cb -0.01 -4.08 -0.04 0.00 0.42 0.00 0.00 41.96 38.25 2jgf s TYR 72 CO -0.10 -3.96 0.12 0.08 0.64 0.00 0.00 175.55 172.33 2jgf s VAL 73 N 0.82 4.77 0.09 3.14 1.01 -1.26 -4.90 120.40 124.07 2jgf s VAL 73 Ca 0.71 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 2jgf s VAL 73 Cb -0.48 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2jgf s VAL 73 CO 0.36 0.32 1.61 -0.62 0.00 0.00 0.00 175.10 176.77 2jgf s ASP 74 N 1.52 6.62 -0.00 3.32 -1.08 -1.26 -4.90 116.67 120.89 2jgf s ASP 74 Ca 0.06 2.48 0.05 0.00 -0.52 0.00 0.00 52.55 54.62 2jgf s ASP 74 Cb -0.15 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.69 2jgf s ASP 74 CO 0.06 -0.86 0.18 0.35 0.52 0.00 0.00 175.17 175.43 2jgf n THR 75 N 4.54 0.00 -0.31 1.71 -2.24 -1.26 -4.84 114.28 111.88 2jgf n THR 75 Ca 0.15 -0.37 0.07 0.00 -2.27 0.00 0.00 64.05 61.64 2jgf n THR 75 Cb 0.40 0.95 0.16 0.00 -2.10 0.00 0.00 70.33 69.74 2jgf n THR 75 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jgf n LEU 76 N -1.16 -0.25 -3.75 3.22 7.94 -1.26 -2.96 117.00 118.78 2jgf n LEU 76 Ca 0.01 1.48 -0.29 0.00 -1.11 0.00 0.00 56.01 56.09 2jgf n LEU 76 Cb 0.08 -0.47 -0.13 0.00 0.53 0.00 0.00 43.42 43.43 2jgf n LEU 76 CO 0.09 -1.44 -0.20 -0.31 -1.11 0.00 0.00 177.39 174.42 2jgf s TYR 77 N -6.01 2.38 0.24 1.96 2.02 -1.26 -5.12 117.35 111.55 2jgf s TYR 77 Ca -0.12 -2.71 -0.31 0.00 -0.37 0.00 0.00 57.07 53.56 2jgf s TYR 77 Cb 0.24 -2.08 -0.14 0.00 -0.40 0.00 0.00 41.96 39.58 2jgf s TYR 77 CO 0.67 -0.73 1.26 -2.30 -1.57 0.00 0.00 175.55 172.88 2jgf n PRO 78 N 3.09 1.69 0.00 -1.71 -0.02 -1.15 -2.48 135.00 134.41 2jgf n PRO 78 Ca 0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2jgf n PRO 78 Cb 0.36 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.82 2.62 3.60 -1.23 0.00 -1.26 -5.00 105.19 105.74 2jgf n GLY 79 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.82 3.24 0.24 1.61 5.36 -1.04 -4.97 117.98 119.60 2jgf s PHE 80 Ca 0.00 0.57 -0.05 0.00 -0.96 0.00 0.00 56.93 56.48 2jgf s PHE 80 Cb 0.00 -2.86 0.39 0.00 -0.34 0.00 0.00 43.02 40.22 2jgf s PHE 80 CO 0.00 -0.39 1.77 1.49 -1.46 0.00 0.00 175.22 176.63 2jgf h GLU 81 N 8.13 0.56 -0.73 10.12 4.57 -1.94 -1.32 114.58 133.97 2jgf h GLU 81 Ca -0.28 -0.03 0.21 0.00 -1.18 0.00 0.00 59.36 58.08 2jgf h GLU 81 Cb 1.13 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 2jgf h GLU 81 CO 0.76 0.37 0.53 0.78 -1.18 0.00 0.00 179.01 180.26 2jgf h GLY 82 N 0.58 0.00 0.00 1.92 0.00 -1.93 -1.35 103.07 102.29 2jgf h GLY 82 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.41 2jgf h GLY 82 CO -0.31 0.00 -2.20 -1.30 0.00 0.00 0.00 176.54 172.73 2jgf n THR 83 N -4.31 1.15 0.05 4.70 -2.24 -0.84 -4.62 114.28 108.17 2jgf n THR 83 Ca 0.14 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 61.05 2jgf n THR 83 Cb 0.80 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.00 0.47 -0.40 -0.78 4.39 -0.69 -2.92 114.58 114.65 2jgf h GLU 84 Ca -0.45 -0.47 0.12 0.00 0.34 0.00 0.00 59.36 58.90 2jgf h GLU 84 Cb 2.03 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.78 2jgf h GLU 84 CO 0.02 1.11 0.72 0.00 -1.16 0.00 0.00 179.01 179.71 2jgf h MET 85 N 0.29 0.00 -0.00 2.33 -0.00 -1.52 0.38 114.93 116.40 2jgf h MET 85 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 2jgf h MET 85 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.11 2jgf h MET 85 CO 0.16 0.00 -0.90 0.91 -0.00 0.00 0.00 176.91 177.08 2jgf n TRP 86 N -3.17 0.00 -2.96 -0.10 7.02 -1.10 -4.71 117.44 112.41 2jgf n TRP 86 Ca 0.08 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.23 2jgf n TRP 86 Cb 0.87 -0.04 -0.06 0.00 -2.42 0.00 0.00 31.31 29.66 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 -2.98 6.82 0.24 -0.99 0.01 0.13 -4.63 114.94 113.55 2jgf s ASN 87 Ca 0.09 1.46 -0.29 0.00 -0.71 0.00 0.00 52.86 53.40 2jgf s ASN 87 Cb 0.16 -2.45 -0.15 0.00 0.41 0.00 0.00 41.25 39.23 2jgf s ASN 87 CO 0.83 -0.30 0.96 -2.65 -1.51 0.00 0.00 177.10 174.43 2jgf n PRO 88 N -0.58 1.06 -0.06 -0.60 -0.02 -1.26 -4.89 135.00 128.65 2jgf n PRO 88 Ca 0.05 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2jgf n PRO 88 Cb 0.54 -1.71 0.06 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.53 1.87 -4.09 2.55 2.04 -1.26 -5.00 115.26 112.90 2jgf n ASN 89 Ca 0.12 -2.36 -0.10 0.00 -0.44 0.00 0.00 54.58 51.80 2jgf n ASN 89 Cb 0.29 -0.18 -0.08 0.00 -2.53 0.00 0.00 39.78 37.28 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 -1.61 1.31 0.29 -3.83 1.81 -1.26 -5.07 118.95 110.58 2jgf s ARG 90 Ca 0.13 -1.42 -0.29 0.00 -1.72 0.00 0.00 55.73 52.42 2jgf s ARG 90 Cb 0.11 0.36 -0.13 0.00 -0.45 0.00 0.00 34.95 34.84 2jgf s ARG 90 CO 0.01 -0.48 1.25 -1.91 -0.68 0.00 0.00 175.30 173.49 2jgf n GLU 91 N -0.30 1.85 -2.76 3.54 2.13 -1.26 -4.39 120.64 119.46 2jgf n GLU 91 Ca -0.01 0.65 -0.42 0.00 0.66 0.00 0.00 57.16 58.04 2jgf n GLU 91 Cb 0.64 -2.21 -0.03 0.00 0.27 0.00 0.00 31.44 30.11 2jgf n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jgf s LEU 92 N -0.21 4.20 -0.09 4.31 1.43 -1.26 -0.73 118.68 126.33 2jgf s LEU 92 Ca 0.61 1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 54.88 2jgf s LEU 92 Cb -0.64 -3.44 0.05 0.00 0.03 0.00 0.00 46.19 42.19 2jgf s LEU 92 CO 0.57 -0.46 0.53 -0.55 0.23 0.00 0.00 176.35 176.67 2jgf s SER 93 N 1.13 -0.49 0.57 2.29 0.15 -0.54 -4.92 113.70 111.89 2jgf s SER 93 Ca 0.44 0.65 0.35 0.00 0.70 0.00 0.00 55.95 58.09 2jgf s SER 93 Cb -0.17 0.65 1.51 0.00 -1.71 0.00 0.00 66.02 66.30 2jgf s SER 93 CO 0.14 -0.43 2.04 -0.33 1.20 0.00 0.00 173.24 175.86 2jgf h GLU 94 N 3.97 0.00 -5.29 5.44 5.08 -1.94 -3.13 114.58 118.71 2jgf h GLU 94 Ca -0.28 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.41 2jgf h GLU 94 Cb 1.16 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 2jgf h GLU 94 CO 0.32 0.01 1.02 0.34 -1.00 0.00 0.00 179.01 179.70 2jgf s ASP 95 N -5.64 6.61 0.00 1.42 -1.08 -1.26 -4.20 116.67 112.52 2jgf s ASP 95 Ca 0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 2jgf s ASP 95 Cb 0.10 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2jgf s ASP 95 CO 0.53 -1.17 0.00 0.00 0.52 0.00 0.00 175.17 175.06 2jgf n LEU 97 N -0.00 4.93 -4.39 0.00 4.77 -1.26 -4.62 117.00 116.43 2jgf n LEU 97 Ca 0.00 -3.64 -0.20 0.00 -0.03 0.00 0.00 56.01 52.15 2jgf n LEU 97 Cb 0.22 -1.60 -0.10 0.00 -2.33 0.00 0.00 43.42 39.60 2jgf n LEU 97 CO 0.00 -0.09 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.29 2jgf s TYR 98 N 5.49 1.80 0.20 -1.77 2.02 -1.26 -2.76 117.35 121.06 2jgf s TYR 98 Ca 0.56 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 2jgf s TYR 98 Cb 0.08 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 2jgf s TYR 98 CO 0.05 0.22 0.08 -0.48 -1.57 0.00 0.00 175.55 173.85 2jgf s LEU 99 N -3.38 1.58 0.05 -1.29 0.05 0.80 -1.70 118.68 114.78 2jgf s LEU 99 Ca 0.27 -1.31 0.06 0.00 0.05 0.00 0.00 54.13 53.20 2jgf s LEU 99 Cb 0.03 0.19 -0.02 0.00 -2.05 0.00 0.00 46.19 44.34 2jgf s LEU 99 CO 0.10 -0.74 -0.17 0.20 -0.55 0.00 0.00 176.35 175.19 2jgf s ASN 100 N -3.18 2.00 -0.05 1.48 0.01 0.19 -0.42 114.94 114.97 2jgf s ASN 100 Ca 0.33 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 2jgf s ASN 100 Cb 0.07 -0.14 0.02 0.00 0.41 0.00 0.00 41.25 41.61 2jgf s ASN 100 CO 0.09 0.07 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.99 2jgf s VAL 101 N -0.88 0.77 -0.13 1.60 1.01 0.29 -1.50 120.40 121.55 2jgf s VAL 101 Ca 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2jgf s VAL 101 Cb -0.08 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2jgf s VAL 101 CO 0.02 0.27 -0.18 0.26 0.00 0.00 0.00 175.10 175.47 2jgf s TRP 102 N 0.80 2.71 0.14 5.22 0.51 0.61 0.04 118.94 128.97 2jgf s TRP 102 Ca -0.13 -1.04 0.04 0.00 -2.12 0.00 0.00 56.10 52.85 2jgf s TRP 102 Cb -0.15 -1.82 -0.04 0.00 -0.81 0.00 0.00 33.47 30.64 2jgf s TRP 102 CO 0.02 -0.45 -0.10 0.95 -0.51 0.00 0.00 176.95 176.86 2jgf s THR 103 N 0.62 1.13 1.03 2.01 -4.23 -0.16 -0.61 115.64 115.43 2jgf s THR 103 Ca -0.10 -2.02 -0.20 0.00 -1.18 0.00 0.00 61.69 58.18 2jgf s THR 103 Cb -0.16 -1.80 -0.06 0.00 1.34 0.00 0.00 72.50 71.81 2jgf s THR 103 CO 0.03 -0.74 -0.61 -2.65 -0.54 0.00 0.00 174.62 170.10 2jgf n PRO 104 N -0.13 -0.50 -3.76 3.99 -0.02 -1.26 -0.47 135.00 132.84 2jgf n PRO 104 Ca -0.11 -0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.02 2jgf n PRO 104 Cb 0.60 -1.34 -0.18 0.00 -0.02 0.00 0.00 33.50 32.56 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 -2.13 0.55 0.79 6.00 5.04 -1.24 -3.19 117.35 123.17 2jgf s TYR 105 Ca 0.46 -0.09 -0.11 0.00 -2.44 0.00 0.00 57.07 54.89 2jgf s TYR 105 Cb -0.07 -0.73 0.07 0.00 0.35 0.00 0.00 41.96 41.57 2jgf s TYR 105 CO 0.70 -0.30 1.09 -1.25 -1.34 0.00 0.00 175.55 174.45 2jgf s PRO 106 N 1.96 2.14 0.42 4.97 0.04 -1.26 -4.80 135.00 138.47 2jgf s PRO 106 Ca 0.04 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 61.79 2jgf s PRO 106 Cb -0.12 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2jgf s PRO 106 CO -0.05 -1.67 1.18 0.54 0.04 0.00 0.00 177.00 177.05 2jgf n ARG 107 N -3.51 1.71 -1.61 4.56 1.74 -1.19 -4.89 116.66 113.48 2jgf n ARG 107 Ca 0.08 0.61 -0.35 0.00 -0.77 0.00 0.00 57.85 57.42 2jgf n ARG 107 Cb 0.54 -2.26 0.08 0.00 -1.02 0.00 0.00 32.46 29.79 2jgf n ARG 107 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2jgf s PRO 108 N -2.16 2.38 -0.04 5.56 0.04 -1.26 -4.97 135.00 134.55 2jgf s PRO 108 Ca 0.62 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 2jgf s PRO 108 Cb -0.53 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 2jgf s PRO 108 CO 0.57 -1.67 0.73 0.00 0.04 0.00 0.00 177.00 176.67 2jgf h ALA 109 N 0.12 -0.48 -2.32 8.56 0.00 -1.94 -3.45 119.26 119.76 2jgf h ALA 109 Ca -0.49 -0.15 -0.50 0.00 0.00 0.00 0.00 54.91 53.77 2jgf h ALA 109 Cb 1.31 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jgf h ALA 109 CO 0.51 -0.47 0.11 -1.54 0.00 0.00 0.00 179.25 177.86 2jgf s SER 110 N -5.05 6.55 0.25 0.00 1.04 -1.26 -5.02 113.70 110.21 2jgf s SER 110 Ca -0.10 1.14 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 2jgf s SER 110 Cb 0.01 -2.33 -0.12 0.00 0.10 0.00 0.00 66.02 63.69 2jgf s SER 110 CO 0.32 -0.38 1.67 -2.84 0.98 0.00 0.00 173.24 172.99 2jgf s PRO 111 N -3.75 4.11 0.06 4.02 0.02 -1.26 -4.92 135.00 133.28 2jgf s PRO 111 Ca 0.51 2.61 0.07 0.00 0.02 0.00 0.00 61.00 64.22 2jgf s PRO 111 Cb -0.10 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.34 2jgf s PRO 111 CO 0.30 -0.71 -0.15 0.95 -0.33 0.00 0.00 177.00 177.06 2jgf s THR 112 N 0.58 2.99 0.17 0.99 -4.23 -0.19 -4.74 115.64 111.21 2jgf s THR 112 Ca 0.69 -1.22 -0.33 0.00 -1.18 0.00 0.00 61.69 59.65 2jgf s THR 112 Cb -0.49 -2.31 -0.16 0.00 1.34 0.00 0.00 72.50 70.88 2jgf s THR 112 CO 0.40 0.26 1.20 -2.65 -0.54 0.00 0.00 174.62 173.29 2jgf n PRO 113 N 1.26 1.22 -3.90 3.99 -0.02 -1.26 0.17 135.00 136.46 2jgf n PRO 113 Ca -0.15 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 2jgf n PRO 113 Cb 0.52 -1.96 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.11 4.86 -0.22 -1.45 1.01 0.32 -2.60 120.40 122.21 2jgf s VAL 114 Ca 0.74 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 2jgf s VAL 114 Cb -0.85 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2jgf s VAL 114 CO 0.51 0.42 0.04 -0.76 0.00 0.00 0.00 175.10 175.31 2jgf s LEU 115 N 0.65 3.40 -0.26 3.92 1.43 0.86 -0.09 118.68 128.59 2jgf s LEU 115 Ca 0.04 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 2jgf s LEU 115 Cb -0.13 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2jgf s LEU 115 CO 0.01 0.04 0.04 -0.63 0.23 0.00 0.00 176.35 176.05 2jgf s ILE 116 N 1.15 3.88 -0.04 -0.59 1.01 0.78 -0.64 121.20 126.75 2jgf s ILE 116 Ca 0.04 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 2jgf s ILE 116 Cb -0.14 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2jgf s ILE 116 CO 0.02 0.25 0.69 0.86 0.00 0.00 0.00 174.94 176.76 2jgf s TRP 117 N 1.52 3.62 -0.30 3.97 -0.11 0.80 -0.70 118.94 127.75 2jgf s TRP 117 Ca 0.04 1.26 0.01 0.00 1.22 0.00 0.00 56.10 58.63 2jgf s TRP 117 Cb -0.16 -2.77 0.06 0.00 -1.50 0.00 0.00 33.47 29.11 2jgf s TRP 117 CO 0.01 0.16 -0.02 0.42 -4.62 0.00 0.00 176.95 172.90 2jgf s ILE 118 N 0.49 2.63 0.64 5.86 1.01 -0.34 -3.78 121.20 127.72 2jgf s ILE 118 Ca 0.36 -1.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.22 2jgf s ILE 118 Cb -0.18 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 2jgf s ILE 118 CO 0.18 -0.17 1.16 -0.72 0.00 0.00 0.00 174.94 175.40 2jgf s TYR 119 N 1.15 2.42 0.00 3.97 -0.85 -1.26 -3.41 117.35 119.37 2jgf s TYR 119 Ca -0.04 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.06 2jgf s TYR 119 Cb -0.20 -3.35 0.00 0.00 0.38 0.00 0.00 41.96 38.79 2jgf s TYR 119 CO -0.03 -2.04 0.00 0.41 -1.52 0.00 0.00 175.55 172.36 2jgf n GLY 120 N 0.08 0.55 0.00 5.49 0.00 -1.04 -3.42 105.19 106.86 2jgf n GLY 120 Ca 0.12 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 1.13 2.60 -0.02 0.00 -1.25 -4.05 105.19 108.60 2jgf n GLY 121 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.83 2.33 -0.02 0.00 -1.26 -0.13 105.19 106.94 2jgf n GLY 122 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.40 0.00 -0.00 1.61 3.72 -1.26 -4.78 117.46 114.35 2jgf n PHE 123 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2jgf n PHE 123 Cb 0.44 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.67 0.00 -4.03 1.38 0.18 -0.39 0.88 117.16 112.51 2jgf n TYR 124 Ca -0.01 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.64 2jgf n TYR 124 Cb 0.18 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.11 2jgf n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jgf s SER 125 N -0.85 0.64 0.00 9.48 1.04 0.82 -4.17 113.70 120.66 2jgf s SER 125 Ca 0.00 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2jgf s SER 125 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2jgf s SER 125 CO 0.00 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2jgf n GLY 126 N -0.54 3.16 3.62 7.32 0.00 -1.26 -3.94 105.19 113.56 2jgf n GLY 126 Ca -0.01 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.63 -1.93 -2.07 4.61 0.00 -1.26 -4.65 121.76 113.83 2jgf s ALA 127 Ca 0.00 1.80 0.31 0.00 0.00 0.00 0.00 51.96 54.06 2jgf s ALA 127 Cb 0.00 -1.16 1.74 0.00 0.00 0.00 0.00 23.12 23.70 2jgf s ALA 127 CO 0.00 -0.27 2.13 0.00 0.00 0.00 0.00 175.76 177.62 2jgf n ALA 128 N 1.87 2.67 0.61 0.00 0.00 -1.26 -3.55 120.51 120.84 2jgf n ALA 128 Ca -0.13 -0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.18 2jgf n ALA 128 Cb 0.56 -1.46 0.12 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.82 2.84 -4.75 0.00 3.41 -1.26 -4.84 113.62 108.20 2jgf n SER 129 Ca 0.23 -1.86 -0.37 0.00 -0.26 0.00 0.00 58.87 56.61 2jgf n SER 129 Cb 0.14 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.52 3.76 0.53 1.04 1.43 -1.23 -4.89 118.68 117.79 2jgf s LEU 130 Ca 0.26 2.58 0.24 0.00 -1.03 0.00 0.00 54.13 56.19 2jgf s LEU 130 Cb 0.17 -4.44 1.39 0.00 0.03 0.00 0.00 46.19 43.35 2jgf s LEU 130 CO 0.25 -1.61 2.02 0.44 0.23 0.00 0.00 176.35 177.69 2jgf h ASP 131 N 1.16 0.00 0.52 2.29 3.32 -1.94 -1.29 116.42 120.49 2jgf h ASP 131 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2jgf h ASP 131 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2jgf h ASP 131 CO 0.56 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 179.41 2jgf n VAL 132 N -4.37 0.02 -0.89 -1.35 0.24 -1.26 -2.40 118.33 108.33 2jgf n VAL 132 Ca 0.08 0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.46 2jgf n VAL 132 Cb 0.52 -0.52 0.30 0.00 -1.47 0.00 0.00 33.84 32.68 2jgf n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgf n TYR 133 N -1.27 1.27 -1.88 6.34 4.01 -0.49 -4.47 117.16 120.68 2jgf n TYR 133 Ca 0.15 -0.79 -0.43 0.00 -0.16 0.00 0.00 57.90 56.67 2jgf n TYR 133 Cb 0.23 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 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 -1.48 6.17 0.00 7.72 -1.08 -1.01 -4.85 116.67 122.14 2jgf s ASP 134 Ca 0.45 1.95 0.28 0.00 -0.52 0.00 0.00 52.55 54.71 2jgf s ASP 134 Cb 0.35 -2.53 1.42 0.00 -1.46 0.00 0.00 42.92 40.70 2jgf s ASP 134 CO 0.12 -1.38 1.96 0.61 0.52 0.00 0.00 175.17 177.01 2jgf n GLY 135 N 4.89 -1.19 0.36 2.66 0.00 -1.26 -4.14 105.19 106.50 2jgf n GLY 135 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.16 -0.20 1.61 0.11 -1.90 -1.87 114.38 113.29 2jgf h ARG 136 Ca 0.00 -0.10 -0.10 0.00 0.10 0.00 0.00 59.98 59.88 2jgf h ARG 136 Cb 0.25 -0.25 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 2jgf h ARG 136 CO 0.00 0.81 -0.28 0.74 0.10 0.00 0.00 179.97 181.34 2jgf h PHE 137 N 1.18 0.66 -0.22 4.08 0.04 -1.78 0.41 116.94 121.31 2jgf h PHE 137 Ca 0.31 -0.22 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 2jgf h PHE 137 Cb -0.05 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 2jgf h PHE 137 CO 0.00 0.93 -0.09 -0.07 -0.60 0.00 0.00 178.31 178.49 2jgf h LEU 138 N 0.21 0.33 0.14 1.54 3.38 -1.70 0.19 115.31 119.40 2jgf h LEU 138 Ca 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2jgf h LEU 138 Cb 0.85 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2jgf h LEU 138 CO 0.06 0.46 -0.07 0.00 0.09 0.00 0.00 178.44 178.98 2jgf h ALA 139 N 1.59 -0.19 -0.38 1.53 0.00 -1.05 -2.40 119.26 118.34 2jgf h ALA 139 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2jgf h ALA 139 Cb 0.36 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jgf h ALA 139 CO 0.02 -0.31 0.11 0.37 0.00 0.00 0.00 179.25 179.44 2jgf h GLN 140 N -0.79 0.61 0.04 0.00 -0.00 -0.10 -2.06 115.11 112.79 2jgf h GLN 140 Ca -0.02 -0.14 -0.30 0.00 -0.00 0.00 0.00 58.65 58.19 2jgf h GLN 140 Cb 0.54 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.90 2jgf h GLN 140 CO 0.03 0.63 -1.71 0.28 0.00 0.00 0.00 178.83 178.06 2jgf h VAL 141 N 0.48 0.88 -0.01 2.39 2.07 -0.75 -3.38 116.25 117.93 2jgf h VAL 141 Ca 0.12 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2jgf h VAL 141 Cb 0.28 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2jgf h VAL 141 CO -0.00 0.63 -0.03 -0.62 0.02 0.00 0.00 177.57 177.57 2jgf n GLU 142 N -3.19 0.60 -1.45 1.57 -0.58 -0.93 -4.98 120.64 111.68 2jgf n GLU 142 Ca -0.19 -1.01 -0.14 0.00 -0.42 0.00 0.00 57.16 55.40 2jgf n GLU 142 Cb 1.04 -1.17 -0.05 0.00 -0.57 0.00 0.00 31.44 30.69 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 0.59 1.32 3.79 0.62 0.00 -0.78 -4.98 105.19 105.76 2jgf n GLY 143 Ca 0.05 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.52 3.00 -0.31 4.61 0.00 -1.05 -4.76 121.76 120.73 2jgf s ALA 144 Ca 0.00 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 2jgf s ALA 144 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2jgf s ALA 144 CO 0.00 -0.19 0.42 0.08 0.00 0.00 0.00 175.76 176.07 2jgf s VAL 145 N -1.84 5.12 -0.10 0.00 1.01 -1.07 -4.20 120.40 119.31 2jgf s VAL 145 Ca 0.62 0.40 0.01 0.00 0.00 0.00 0.00 61.98 63.00 2jgf s VAL 145 Cb -0.18 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2jgf s VAL 145 CO 0.23 -0.02 -0.13 -0.22 0.00 0.00 0.00 175.10 174.95 2jgf s LEU 146 N 2.17 2.75 -0.04 3.92 0.20 0.22 -0.10 118.68 127.80 2jgf s LEU 146 Ca 0.16 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.74 2jgf s LEU 146 Cb -0.16 -1.60 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 2jgf s LEU 146 CO 0.11 0.23 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.59 2jgf s VAL 147 N -0.03 1.06 0.05 1.68 1.01 0.19 -0.29 120.40 124.07 2jgf s VAL 147 Ca -0.03 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2jgf s VAL 147 Cb -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2jgf s VAL 147 CO 0.04 0.32 -0.09 -0.94 0.00 0.00 0.00 175.10 174.43 2jgf s SER 148 N 0.24 1.02 0.05 3.32 1.04 -0.56 -0.14 113.70 118.67 2jgf s SER 148 Ca -0.06 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 55.81 2jgf s SER 148 Cb -0.11 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2jgf s SER 148 CO 0.02 -0.20 -0.10 0.00 0.98 0.00 0.00 173.24 173.94 2jgf s MET 149 N -1.76 0.63 0.27 4.02 0.23 -1.25 0.55 119.30 121.99 2jgf s MET 149 Ca -0.07 -0.84 -0.26 0.00 -1.03 0.00 0.00 55.69 53.49 2jgf s MET 149 Cb -0.09 -0.45 -0.09 0.00 -1.53 0.00 0.00 34.83 32.67 2jgf s MET 149 CO 0.00 0.09 0.89 -0.80 -2.03 0.00 0.00 175.02 173.17 2jgf s ASN 150 N -1.68 7.39 0.03 -1.18 -0.87 -0.69 -4.50 114.94 113.44 2jgf s ASN 150 Ca -0.07 1.78 0.01 0.00 -1.57 0.00 0.00 52.86 53.01 2jgf s ASN 150 Cb -0.10 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.56 2jgf s ASN 150 CO 0.01 0.04 -0.05 -0.72 -2.57 0.00 0.00 177.10 173.81 2jgf s TYR 151 N -1.43 0.41 0.30 2.20 1.13 -1.26 -4.53 117.35 114.16 2jgf s TYR 151 Ca 0.45 -0.49 -0.29 0.00 -1.41 0.00 0.00 57.07 55.32 2jgf s TYR 151 Cb -0.21 -0.27 -0.10 0.00 -1.10 0.00 0.00 41.96 40.28 2jgf s TYR 151 CO 0.26 -0.14 1.42 1.03 -2.51 0.00 0.00 175.55 175.61 2jgf s ARG 152 N -1.43 4.26 0.46 -3.49 0.52 -1.26 -4.86 118.95 113.16 2jgf s ARG 152 Ca -0.13 2.34 0.04 0.00 -0.52 0.00 0.00 55.73 57.46 2jgf s ARG 152 Cb -0.09 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 2jgf s ARG 152 CO -0.00 -0.38 0.03 0.14 0.02 0.00 0.00 175.30 175.10 2jgf s VAL 153 N -0.51 1.60 0.00 3.52 -7.23 -1.26 -4.05 120.40 112.47 2jgf s VAL 153 Ca 0.56 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2jgf s VAL 153 Cb -0.42 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 33.95 2jgf s VAL 153 CO 0.49 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 2jgf n GLY 154 N -1.15 1.29 0.35 2.32 0.00 0.25 -2.75 105.19 105.50 2jgf n GLY 154 Ca -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 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 1.22 -0.11 2.61 1.35 -1.88 -1.01 112.91 115.09 2jgf h THR 155 Ca 0.00 -0.49 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 2jgf h THR 155 Cb 0.00 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.52 2jgf h THR 155 CO 0.00 0.23 -0.12 -0.26 -0.25 0.00 0.00 175.52 175.13 2jgf h PHE 156 N 1.09 0.17 0.00 4.73 0.04 -1.88 0.17 116.94 121.27 2jgf h PHE 156 Ca 0.28 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2jgf h PHE 156 Cb -0.04 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.06 2jgf h PHE 156 CO 0.00 0.29 -1.34 0.41 -0.60 0.00 0.00 178.31 177.08 2jgf n GLY 157 N -0.99 -0.80 0.00 -1.45 0.00 -1.11 -4.07 105.19 96.77 2jgf n GLY 157 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.77 0.00 -1.71 1.61 3.72 -0.40 -0.47 117.46 118.43 2jgf n PHE 158 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2jgf n PHE 158 Cb 0.39 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 2jgf n PHE 158 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2jgf n LEU 159 N 0.00 3.83 -3.80 4.37 0.00 0.01 -4.51 117.00 116.89 2jgf n LEU 159 Ca 0.00 1.09 -0.14 0.00 0.00 0.00 0.00 56.01 56.96 2jgf n LEU 159 Cb 0.00 -1.54 -0.15 0.00 0.00 0.00 0.00 43.42 41.73 2jgf n LEU 159 CO 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 177.39 177.11 2jgf s ALA 160 N 0.81 -0.06 -0.70 1.96 0.00 -1.26 -4.16 121.76 118.35 2jgf s ALA 160 Ca 0.73 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 2jgf s ALA 160 Cb -0.55 -0.21 0.18 0.00 0.00 0.00 0.00 23.12 22.54 2jgf s ALA 160 CO 0.38 -0.08 0.61 -0.51 0.00 0.00 0.00 175.76 176.16 2jgf s LEU 161 N 0.66 6.25 0.20 0.00 1.43 0.87 -3.86 118.68 124.23 2jgf s LEU 161 Ca -0.05 -2.51 -0.32 0.00 -1.03 0.00 0.00 54.13 50.21 2jgf s LEU 161 Cb -0.07 -2.11 -0.12 0.00 0.03 0.00 0.00 46.19 43.91 2jgf s LEU 161 CO -0.02 -0.59 1.70 -2.65 0.23 0.00 0.00 176.35 175.02 2jgf n PRO 162 N 4.16 2.66 0.00 1.29 -0.02 -1.26 -0.85 135.00 140.98 2jgf n PRO 162 Ca 0.06 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2jgf n PRO 162 Cb 0.43 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.84 3.21 3.73 -1.23 0.00 -1.26 -5.07 105.19 108.42 2jgf n GLY 163 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 0.15 3.82 0.02 1.61 1.04 -0.03 -4.97 113.70 115.35 2jgf s SER 164 Ca 0.00 1.60 0.10 0.00 0.48 0.00 0.00 55.95 58.14 2jgf s SER 164 Cb 0.00 -2.29 -0.22 0.00 0.10 0.00 0.00 66.02 63.61 2jgf s SER 164 CO 0.00 -2.43 0.90 -0.09 0.98 0.00 0.00 173.24 172.60 2jgf h ARG 165 N -1.41 0.00 -0.02 4.02 2.43 -1.98 -3.37 114.38 114.06 2jgf h ARG 165 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2jgf h ARG 165 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2jgf h ARG 165 CO 0.53 0.69 -0.17 0.39 -1.51 0.00 0.00 179.97 179.91 2jgf n GLU 166 N -3.16 1.80 -2.73 0.20 4.71 -1.26 -4.55 120.64 115.64 2jgf n GLU 166 Ca -0.10 -1.42 -0.06 0.00 -0.01 0.00 0.00 57.16 55.56 2jgf n GLU 166 Cb 1.01 -1.47 0.05 0.00 -1.01 0.00 0.00 31.44 30.01 2jgf n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jgf n ALA 167 N 0.64 -2.02 0.89 0.62 0.00 -1.26 -4.38 120.51 115.00 2jgf n ALA 167 Ca 0.13 -1.05 0.11 0.00 0.00 0.00 0.00 53.44 52.62 2jgf n ALA 167 Cb 0.51 -1.81 0.51 0.00 0.00 0.00 0.00 19.45 18.67 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 1.93 0.13 -0.16 0.00 -0.04 -1.26 -0.09 135.00 135.51 2jgf n PRO 168 Ca 0.10 0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.68 2jgf n PRO 168 Cb 0.63 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.74 -1.71 1.77 0.55 0.00 -1.26 -4.69 105.19 100.59 2jgf n GLY 169 Ca 0.08 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.09 -2.58 0.21 1.61 3.02 -1.26 -4.85 115.26 109.32 2jgf n ASN 170 Ca -0.00 0.24 0.06 0.00 -0.03 0.00 0.00 54.58 54.85 2jgf n ASN 170 Cb 0.07 -2.53 0.47 0.00 -0.61 0.00 0.00 39.78 37.18 2jgf n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jgf h VAL 171 N 0.00 0.96 -0.83 2.41 -1.51 -1.83 -0.15 116.25 115.30 2jgf h VAL 171 Ca -0.20 -1.09 0.06 0.00 -1.23 0.00 0.00 66.70 64.24 2jgf h VAL 171 Cb 0.65 1.63 -0.05 0.00 -2.13 0.00 0.00 31.29 31.39 2jgf h VAL 171 CO 0.29 0.28 0.55 1.23 -1.23 0.00 0.00 177.57 178.69 2jgf h GLY 172 N 1.25 1.18 1.92 5.19 0.00 -0.97 0.22 103.07 111.86 2jgf h GLY 172 Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.79 2jgf h GLY 172 CO 0.04 0.29 -0.70 1.41 0.00 0.00 0.00 176.54 177.58 2jgf h LEU 173 N 0.95 0.09 -0.68 3.11 3.38 -1.31 -2.57 115.31 118.28 2jgf h LEU 173 Ca 0.35 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 2jgf h LEU 173 Cb 0.17 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2jgf h LEU 173 CO -0.12 0.76 -0.64 -0.07 0.09 0.00 0.00 178.44 178.46 2jgf h LEU 174 N 0.05 0.11 -0.39 1.67 3.38 -0.30 0.14 115.31 119.98 2jgf h LEU 174 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jgf h LEU 174 Cb 1.23 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2jgf h LEU 174 CO 0.10 0.72 0.24 0.44 0.09 0.00 0.00 178.44 180.02 2jgf h ASP 175 N 0.07 0.46 0.07 -0.43 3.32 -0.35 0.60 116.42 120.16 2jgf h ASP 175 Ca -0.01 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2jgf h ASP 175 Cb 1.14 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 2jgf h ASP 175 CO 0.09 0.37 -0.05 1.56 -1.72 0.00 0.00 179.24 179.49 2jgf h GLN 176 N 0.51 -0.11 -0.84 3.56 4.20 -1.10 -2.21 115.11 119.12 2jgf h GLN 176 Ca 0.14 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.94 2jgf h GLN 176 Cb -0.01 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 2jgf h GLN 176 CO -0.03 -0.08 0.55 -0.09 -0.67 0.00 0.00 178.83 178.51 2jgf h ARG 177 N -0.12 0.84 -0.75 1.46 2.43 -0.72 -0.83 114.38 116.68 2jgf h ARG 177 Ca -0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2jgf h ARG 177 Cb 0.10 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2jgf h ARG 177 CO 0.00 0.56 0.26 1.25 -1.51 0.00 0.00 179.97 180.52 2jgf h LEU 178 N 0.87 1.08 -0.76 3.80 5.85 -0.53 -1.39 115.31 124.23 2jgf h LEU 178 Ca 0.37 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.77 2jgf h LEU 178 Cb 0.32 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2jgf h LEU 178 CO -0.14 0.98 -0.54 0.00 -0.34 0.00 0.00 178.44 178.40 2jgf h ALA 179 N 1.16 0.94 -0.49 1.25 0.00 -0.69 0.68 119.26 122.12 2jgf h ALA 179 Ca 0.25 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2jgf h ALA 179 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jgf h ALA 179 CO -0.01 0.68 0.05 -0.07 0.00 0.00 0.00 179.25 179.90 2jgf h LEU 180 N 0.17 0.74 -0.18 0.00 3.38 -0.86 -0.45 115.31 118.12 2jgf h LEU 180 Ca 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2jgf h LEU 180 Cb 1.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2jgf h LEU 180 CO 0.08 0.78 -0.04 1.56 0.09 0.00 0.00 178.44 180.92 2jgf h GLN 181 N 0.74 0.34 -1.00 1.13 4.20 -0.70 -1.28 115.11 118.53 2jgf h GLN 181 Ca 0.15 -0.13 0.12 0.00 0.06 0.00 0.00 58.65 58.86 2jgf h GLN 181 Cb 0.38 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.05 2jgf h GLN 181 CO 0.01 0.59 0.63 2.35 -0.67 0.00 0.00 178.83 181.75 2jgf h TRP 182 N 0.05 1.14 -0.21 2.96 7.01 -0.73 -1.13 115.95 125.05 2jgf h TRP 182 Ca 0.05 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 2jgf h TRP 182 Cb 0.46 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 2jgf h TRP 182 CO 0.05 0.46 0.01 0.28 -2.79 0.00 0.00 178.44 176.45 2jgf h VAL 183 N 1.00 1.25 -0.75 2.65 2.07 -0.76 0.07 116.25 121.77 2jgf h VAL 183 Ca 0.49 -0.84 0.15 0.00 0.82 0.00 0.00 66.70 67.32 2jgf h VAL 183 Cb 0.48 1.40 -0.10 0.00 -1.52 0.00 0.00 31.29 31.55 2jgf h VAL 183 CO -0.26 0.26 0.28 1.56 0.02 0.00 0.00 177.57 179.43 2jgf h GLN 184 N 0.13 0.39 0.25 1.57 1.08 -0.22 0.34 115.11 118.65 2jgf h GLN 184 Ca 0.06 -0.02 -0.34 0.00 -1.45 0.00 0.00 58.65 56.90 2jgf h GLN 184 Cb 0.38 -0.09 0.04 0.00 -0.05 0.00 0.00 27.48 27.76 2jgf h GLN 184 CO 0.01 0.26 -1.49 1.49 -0.95 0.00 0.00 178.83 178.15 2jgf h GLU 185 N 0.40 0.54 0.00 1.46 4.81 -1.09 -3.41 114.58 117.29 2jgf h GLU 185 Ca 0.42 -0.92 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2jgf h GLU 185 Cb 0.66 0.34 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2jgf h GLU 185 CO -0.43 1.44 -1.42 0.09 -0.73 0.00 0.00 179.01 177.96 2jgf n ASN 186 N -3.71 2.54 0.10 1.04 3.02 -0.00 -4.64 115.26 113.60 2jgf n ASN 186 Ca -0.17 -0.04 0.08 0.00 -0.03 0.00 0.00 54.58 54.43 2jgf n ASN 186 Cb 1.11 1.45 0.55 0.00 -0.61 0.00 0.00 39.78 42.28 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 0.99 -0.02 2.41 6.09 -1.06 -0.49 117.51 125.43 2jgf h ILE 187 Ca 0.00 -0.08 0.01 0.00 -1.37 0.00 0.00 64.86 63.41 2jgf h ILE 187 Cb 0.46 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.47 2jgf h ILE 187 CO 0.00 0.05 0.02 0.00 -3.07 0.00 0.00 178.15 175.14 2jgf h ALA 188 N 1.84 1.91 -0.26 0.18 0.00 -1.78 0.19 119.26 121.35 2jgf h ALA 188 Ca 0.12 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2jgf h ALA 188 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jgf h ALA 188 CO -0.02 -0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.60 2jgf h ALA 189 N 1.99 1.83 -0.06 0.00 0.00 -1.38 -0.76 119.26 120.87 2jgf h ALA 189 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jgf h ALA 189 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jgf h ALA 189 CO -0.00 -0.53 0.00 1.19 0.00 0.00 0.00 179.25 179.91 2jgf n PHE 190 N -3.42 0.05 -0.52 0.00 3.01 0.56 -4.87 117.46 112.26 2jgf n PHE 190 Ca 0.04 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2jgf n PHE 190 Cb 0.52 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.95 0.73 3.80 1.37 0.00 -0.29 -4.56 105.19 107.20 2jgf n GLY 191 Ca 0.10 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 2.64 -0.47 -0.02 0.00 -0.55 -1.02 107.32 105.83 2jgf s GLY 192 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.87 2jgf s GLY 192 CO 0.00 0.70 0.52 -0.35 0.00 0.00 0.00 173.10 173.96 2jgf s ASP 193 N -1.75 6.20 0.00 1.64 -1.08 0.13 -3.17 116.67 118.63 2jgf s ASP 193 Ca 0.49 -0.96 0.10 0.00 -0.52 0.00 0.00 52.55 51.66 2jgf s ASP 193 Cb -0.16 -2.24 0.50 0.00 -1.46 0.00 0.00 42.92 39.56 2jgf s ASP 193 CO 0.21 -0.75 1.23 -0.81 0.52 0.00 0.00 175.17 175.57 2jgf n PRO 194 N 5.76 0.12 -0.05 4.34 -0.04 -1.26 -1.22 135.00 142.65 2jgf n PRO 194 Ca -0.08 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 2jgf n PRO 194 Cb 0.45 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.32 2.25 -3.47 0.54 2.81 -1.26 -4.45 117.12 112.22 2jgf n MET 195 Ca 0.04 -1.84 -0.28 0.00 -1.81 0.00 0.00 57.70 53.82 2jgf n MET 195 Cb 0.09 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.02 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 -1.84 2.15 -0.23 7.83 0.15 -0.36 -4.92 113.70 116.47 2jgf s SER 196 Ca 0.32 -2.97 0.01 0.00 0.70 0.00 0.00 55.95 54.02 2jgf s SER 196 Cb 0.21 -0.58 0.04 0.00 -1.71 0.00 0.00 66.02 63.97 2jgf s SER 196 CO 0.31 -0.19 -0.13 -0.69 1.20 0.00 0.00 173.24 173.74 2jgf s VAL 197 N 0.10 2.34 -0.22 4.45 1.01 -1.26 -0.52 120.40 126.30 2jgf s VAL 197 Ca 0.29 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 2jgf s VAL 197 Cb -0.03 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2jgf s VAL 197 CO -0.15 0.23 0.07 -0.89 0.00 0.00 0.00 175.10 174.37 2jgf s THR 198 N 1.23 4.53 0.00 3.92 2.01 0.88 -0.78 115.64 127.43 2jgf s THR 198 Ca -0.01 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 2jgf s THR 198 Cb -0.17 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2jgf s THR 198 CO -0.08 0.38 0.82 -0.76 -0.69 0.00 0.00 174.62 174.29 2jgf s LEU 199 N 1.15 4.39 0.01 4.42 1.43 -0.28 -0.16 118.68 129.64 2jgf s LEU 199 Ca 0.05 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.61 2jgf s LEU 199 Cb -0.14 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 2jgf s LEU 199 CO 0.03 -0.10 -0.04 0.72 0.23 0.00 0.00 176.35 177.19 2jgf s PHE 200 N 0.49 0.39 0.24 0.29 -0.71 0.12 0.60 117.98 119.40 2jgf s PHE 200 Ca 0.42 -0.21 -0.21 0.00 -1.04 0.00 0.00 56.93 55.90 2jgf s PHE 200 Cb -0.20 -0.25 0.03 0.00 -1.21 0.00 0.00 43.02 41.39 2jgf s PHE 200 CO 0.23 -0.04 0.66 0.20 -1.34 0.00 0.00 175.22 174.93 2jgf s GLY 201 N -0.57 -0.18 -0.29 1.99 0.00 -0.93 -1.20 107.32 106.13 2jgf s GLY 201 Ca -0.03 -0.15 0.14 0.00 0.00 0.00 0.00 44.72 44.68 2jgf s GLY 201 CO -0.00 -0.08 1.13 -2.21 0.00 0.00 0.00 173.10 171.94 2jgf n GLU 202 N -0.43 2.62 0.00 2.90 0.00 -1.22 -0.65 120.64 123.86 2jgf n GLU 202 Ca -0.07 -3.85 0.00 0.00 0.00 0.00 0.00 57.16 53.24 2jgf n GLU 202 Cb 0.61 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 30.13 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 -0.59 0.00 -0.06 4.31 0.00 -1.26 -2.49 120.51 120.43 2jgf n ALA 204 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 2jgf n ALA 204 Cb 0.86 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.24 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 0.58 0.91 0.00 0.00 -1.71 0.21 103.07 103.07 2jgf h GLY 205 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 2jgf h GLY 205 CO 0.00 0.61 0.05 0.00 0.00 0.00 0.00 176.54 177.21 2jgf h ALA 206 N 0.57 0.47 -0.28 3.60 0.00 -1.59 0.16 119.26 122.19 2jgf h ALA 206 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jgf h ALA 206 Cb 0.93 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2jgf h ALA 206 CO 0.08 0.18 0.17 0.00 0.00 0.00 0.00 179.25 179.67 2jgf h ALA 207 N 0.90 0.35 -0.44 0.00 0.00 -1.73 -1.15 119.26 117.20 2jgf h ALA 207 Ca 0.11 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2jgf h ALA 207 Cb 0.37 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 2jgf h ALA 207 CO 0.01 -0.20 -0.33 0.77 0.00 0.00 0.00 179.25 179.50 2jgf h SER 208 N 0.35 -1.09 -0.56 0.00 0.02 -0.18 -0.40 113.55 111.69 2jgf h SER 208 Ca 0.11 0.20 0.11 0.00 -0.84 0.00 0.00 61.79 61.37 2jgf h SER 208 Cb -0.01 0.52 -0.09 0.00 0.14 0.00 0.00 62.40 62.95 2jgf h SER 208 CO -0.04 -0.32 -0.01 0.58 -1.14 0.00 0.00 176.83 175.90 2jgf h VAL 209 N -0.23 0.54 -0.28 2.27 2.07 0.08 -0.02 116.25 120.68 2jgf h VAL 209 Ca 0.18 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2jgf h VAL 209 Cb 0.54 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2jgf h VAL 209 CO -0.56 0.02 0.11 1.23 0.02 0.00 0.00 177.57 178.39 2jgf h GLY 210 N 0.10 0.42 1.77 2.17 0.00 -0.42 -0.83 103.07 106.28 2jgf h GLY 210 Ca 0.29 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 2jgf h GLY 210 CO -0.48 0.18 -0.76 -0.33 0.00 0.00 0.00 176.54 175.15 2jgf h MET 211 N 0.40 0.22 -0.90 4.80 2.86 0.62 -1.52 114.93 121.41 2jgf h MET 211 Ca 0.10 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2jgf h MET 211 Cb 0.08 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2jgf h MET 211 CO -0.01 0.88 0.54 0.45 1.06 0.00 0.00 176.91 179.83 2jgf h HIS 212 N 0.14 1.19 -0.77 -0.22 3.86 -0.38 0.11 115.15 119.08 2jgf h HIS 212 Ca -0.03 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2jgf h HIS 212 Cb 1.33 -0.39 -0.05 0.00 1.06 0.00 0.00 27.41 29.36 2jgf h HIS 212 CO 0.03 0.79 0.50 0.82 0.86 0.00 0.00 177.93 180.94 2jgf h ILE 213 N 1.24 0.98 -0.01 2.45 2.04 -0.88 -2.88 117.51 120.45 2jgf h ILE 213 Ca 0.32 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2jgf h ILE 213 Cb -0.04 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2jgf h ILE 213 CO -0.06 0.14 -0.28 0.18 0.00 0.00 0.00 178.15 178.13 2jgf n LEU 214 N -4.49 1.36 -4.12 1.44 4.77 -0.44 -4.77 117.00 110.74 2jgf n LEU 214 Ca 0.12 -0.42 -0.33 0.00 -0.03 0.00 0.00 56.01 55.35 2jgf n LEU 214 Cb 0.29 -0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.15 2jgf n LEU 214 CO 0.33 0.25 -0.47 -0.55 -1.33 0.00 0.00 177.39 175.61 2jgf s SER 215 N -2.44 3.92 0.24 -1.43 0.15 -0.10 -4.79 113.70 109.24 2jgf s SER 215 Ca 0.24 -0.99 -0.05 0.00 0.70 0.00 0.00 55.95 55.85 2jgf s SER 215 Cb 0.19 -1.55 0.39 0.00 -1.71 0.00 0.00 66.02 63.35 2jgf s SER 215 CO 0.51 -0.10 1.77 0.25 1.20 0.00 0.00 173.24 176.86 2jgf h LEU 216 N 7.89 0.45 0.00 3.45 5.85 -1.86 -0.84 115.31 130.26 2jgf h LEU 216 Ca -0.32 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2jgf h LEU 216 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2jgf h LEU 216 CO 0.56 0.24 0.00 -2.65 -0.34 0.00 0.00 178.44 176.24 2jgf n PRO 217 N -4.88 0.01 0.04 5.25 -0.02 -1.26 -1.46 135.00 132.68 2jgf n PRO 217 Ca 0.13 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 2jgf n PRO 217 Cb 0.33 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.22 2jgf n PRO 217 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jgf n SER 218 N -1.48 0.41 -0.09 2.55 7.64 -0.33 -4.39 113.62 117.93 2jgf n SER 218 Ca 0.02 0.16 0.05 0.00 1.01 0.00 0.00 58.87 60.11 2jgf n SER 218 Cb 0.08 1.24 0.39 0.00 -1.01 0.00 0.00 64.21 64.91 2jgf n SER 218 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jgf h ARG 219 N 0.00 0.64 0.00 1.43 2.47 -1.18 -0.44 114.38 117.31 2jgf h ARG 219 Ca -0.01 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2jgf h ARG 219 Cb 1.02 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 2jgf h ARG 219 CO 0.00 0.42 0.00 -1.13 0.56 0.00 0.00 179.97 179.83 2jgf n SER 220 N -4.47 0.00 -0.52 7.04 3.41 -1.26 -3.69 113.62 114.14 2jgf n SER 220 Ca 0.07 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 2jgf n SER 220 Cb 0.14 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.38 2.07 -3.95 1.04 4.77 -0.17 -4.97 117.00 114.42 2jgf n LEU 221 Ca 0.08 -0.77 -0.08 0.00 -0.03 0.00 0.00 56.01 55.20 2jgf n LEU 221 Cb 0.20 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2jgf n LEU 221 CO 0.17 0.38 0.29 0.72 -1.33 0.00 0.00 177.39 177.62 2jgf s PHE 222 N -2.45 0.17 0.00 -1.77 -0.71 -1.24 -4.89 117.98 107.10 2jgf s PHE 222 Ca 0.19 -0.57 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 2jgf s PHE 222 Cb 0.18 0.38 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 2jgf s PHE 222 CO 0.56 -1.09 0.00 0.72 -1.34 0.00 0.00 175.22 174.06 2jgf n HIS 223 N -0.41 0.00 -3.85 3.49 8.25 0.04 -4.92 115.22 117.81 2jgf n HIS 223 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 2jgf n HIS 223 Cb 0.61 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.64 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 -1.69 0.71 -0.06 -0.41 0.52 -1.15 -4.39 118.95 112.49 2jgf s ARG 224 Ca 0.00 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 2jgf s ARG 224 Cb 0.00 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.79 2jgf s ARG 224 CO 0.00 -0.21 0.15 0.00 0.02 0.00 0.00 175.30 175.26 2jgf s ALA 225 N -2.80 -0.33 -0.14 2.13 0.00 -0.77 -1.13 121.76 118.71 2jgf s ALA 225 Ca -0.03 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2jgf s ALA 225 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2jgf s ALA 225 CO -0.05 -0.10 -0.19 0.08 0.00 0.00 0.00 175.76 175.49 2jgf s VAL 226 N 0.51 2.36 -0.29 0.00 1.01 0.20 -0.79 120.40 123.40 2jgf s VAL 226 Ca -0.04 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2jgf s VAL 226 Cb -0.05 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.43 2jgf s VAL 226 CO -0.02 0.53 -0.05 -0.76 0.00 0.00 0.00 175.10 174.80 2jgf s LEU 227 N 0.76 3.80 -0.35 3.92 1.02 0.23 -2.19 118.68 125.88 2jgf s LEU 227 Ca -0.07 -1.48 -0.13 0.00 0.02 0.00 0.00 54.13 52.46 2jgf s LEU 227 Cb -0.16 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.43 2jgf s LEU 227 CO 0.00 -0.25 0.27 -1.10 0.02 0.00 0.00 176.35 175.29 2jgf s GLN 228 N 1.12 3.44 -1.30 1.70 -0.21 0.18 -2.77 119.66 121.82 2jgf s GLN 228 Ca -0.05 -0.66 -0.10 0.00 0.02 0.00 0.00 55.36 54.57 2jgf s GLN 228 Cb -0.20 -3.83 0.00 0.00 1.00 0.00 0.00 33.01 29.98 2jgf s GLN 228 CO -0.04 -0.49 0.56 0.43 -2.12 0.00 0.00 175.29 173.63 2jgf n SER 229 N 5.15 -2.34 0.00 5.90 7.64 -0.10 -4.16 113.62 125.71 2jgf n SER 229 Ca -0.12 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.72 2jgf n SER 229 Cb 0.49 -3.04 0.00 0.00 -1.01 0.00 0.00 64.21 60.65 2jgf n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jgf n GLY 230 N -1.89 1.11 3.32 0.23 0.00 -1.26 -4.76 105.19 101.93 2jgf n GLY 230 Ca -0.22 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 2jgf n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jgf s THR 231 N -2.00 0.04 0.36 2.61 -4.23 -1.26 -4.30 115.64 106.87 2jgf s THR 231 Ca 0.00 -0.35 0.09 0.00 -1.18 0.00 0.00 61.69 60.25 2jgf s THR 231 Cb 0.00 -0.75 0.12 0.00 1.34 0.00 0.00 72.50 73.21 2jgf s THR 231 CO 0.00 -0.19 1.85 1.55 -0.54 0.00 0.00 174.62 177.28 2jgf h PRO 232 N 3.56 0.20 -7.34 3.99 0.13 -1.81 -3.40 132.00 127.33 2jgf h PRO 232 Ca -0.29 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.32 2jgf h PRO 232 Cb 1.17 -0.02 0.09 0.00 0.13 0.00 0.00 31.00 32.37 2jgf h PRO 232 CO 0.40 0.43 0.24 0.54 -0.23 0.00 0.00 178.00 179.39 2jgf s ASN 233 N -6.89 4.61 0.00 1.44 2.20 -1.26 -4.54 114.94 110.50 2jgf s ASN 233 Ca -0.05 0.37 0.00 0.00 -0.94 0.00 0.00 52.86 52.25 2jgf s ASN 233 Cb 0.15 -0.94 0.00 0.00 -2.00 0.00 0.00 41.25 38.46 2jgf s ASN 233 CO 0.74 -1.73 0.00 0.61 -2.94 0.00 0.00 177.10 173.78 2jgf n GLY 234 N -3.00 0.86 0.04 0.45 0.00 -1.26 -4.74 105.19 97.53 2jgf n GLY 234 Ca 0.09 -2.15 0.14 0.00 0.00 0.00 0.00 46.02 44.10 2jgf n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jgf n PRO 235 N 0.06 0.27 0.00 1.61 -0.04 -1.26 -4.16 135.00 131.48 2jgf n PRO 235 Ca 0.00 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2jgf n PRO 235 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2jgf n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jgf n TRP 236 N -1.30 0.00 0.38 0.54 4.27 -1.26 -4.78 117.44 115.28 2jgf n TRP 236 Ca 0.10 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.84 2jgf n TRP 236 Cb 0.31 0.00 0.42 0.00 -1.36 0.00 0.00 31.31 30.68 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 0.00 1.00 -2.29 -1.67 0.00 -1.83 -3.44 119.26 111.03 2jgf h ALA 237 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2jgf h ALA 237 Cb 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 2jgf h ALA 237 CO 0.00 0.00 -0.64 0.95 0.00 0.00 0.00 179.25 179.56 2jgf s THR 238 N -3.31 0.20 0.09 0.00 -4.23 -1.26 -3.45 115.64 103.68 2jgf s THR 238 Ca 0.06 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 58.87 2jgf s THR 238 Cb 0.09 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 2jgf s THR 238 CO 0.56 -0.91 -0.13 0.68 -0.54 0.00 0.00 174.62 174.29 2jgf s VAL 239 N -3.93 1.11 0.82 2.29 -7.23 -0.25 -4.98 120.40 108.23 2jgf s VAL 239 Ca 0.08 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 2jgf s VAL 239 Cb 0.08 -1.26 0.09 0.00 0.56 0.00 0.00 36.38 35.85 2jgf s VAL 239 CO -0.09 -0.37 1.15 -0.94 -0.31 0.00 0.00 175.10 174.54 2jgf s SER 240 N -2.12 3.72 0.18 4.85 1.04 -1.26 -1.13 113.70 118.98 2jgf s SER 240 Ca 0.03 2.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.49 2jgf s SER 240 Cb -0.07 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 63.65 2jgf s SER 240 CO 0.02 -2.57 1.72 0.00 0.98 0.00 0.00 173.24 173.39 2jgf h ALA 241 N -1.15 0.52 -0.90 5.32 0.00 -1.94 -2.15 119.26 118.95 2jgf h ALA 241 Ca -0.45 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.64 2jgf h ALA 241 Cb 1.27 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2jgf h ALA 241 CO 0.46 -0.30 0.55 0.78 0.00 0.00 0.00 179.25 180.75 2jgf h GLY 242 N 0.24 1.40 1.44 0.00 0.00 -1.93 -0.21 103.07 104.01 2jgf h GLY 242 Ca 0.23 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 2jgf h GLY 242 CO -0.29 0.22 -0.67 -2.09 0.00 0.00 0.00 176.54 173.71 2jgf h GLU 243 N 0.96 0.56 -0.29 4.80 4.57 -1.87 -0.85 114.58 122.46 2jgf h GLU 243 Ca 0.41 -0.42 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2jgf h GLU 243 Cb 0.29 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2jgf h GLU 243 CO -0.21 1.04 -0.31 0.00 -1.18 0.00 0.00 179.01 178.35 2jgf h ALA 244 N 0.86 0.92 0.08 2.92 0.00 -0.88 0.14 119.26 123.31 2jgf h ALA 244 Ca -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2jgf h ALA 244 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jgf h ALA 244 CO 0.12 0.62 -0.11 -0.09 0.00 0.00 0.00 179.25 179.80 2jgf h ARG 245 N 0.52 -0.22 0.23 0.00 2.43 -0.90 -0.40 114.38 116.05 2jgf h ARG 245 Ca 0.06 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2jgf h ARG 245 Cb 0.79 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 2jgf h ARG 245 CO 0.06 -0.14 -0.33 -0.09 -1.51 0.00 0.00 179.97 177.96 2jgf h ARG 246 N -0.22 -0.60 -0.53 0.20 2.43 -0.81 0.53 114.38 115.38 2jgf h ARG 246 Ca 0.01 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2jgf h ARG 246 Cb 0.23 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2jgf h ARG 246 CO -0.05 -0.40 0.35 0.00 -1.51 0.00 0.00 179.97 178.36 2jgf h ARG 247 N -0.62 0.66 -0.03 0.20 3.08 -0.64 -0.69 114.38 116.33 2jgf h ARG 247 Ca 0.00 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2jgf h ARG 247 Cb 0.60 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.51 2jgf h ARG 247 CO -0.12 0.43 -0.56 0.00 -1.07 0.00 0.00 179.97 178.65 2jgf h ALA 248 N 1.68 0.11 -0.60 0.04 0.00 -0.56 -0.81 119.26 119.12 2jgf h ALA 248 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2jgf h ALA 248 Cb -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2jgf h ALA 248 CO -0.05 0.35 0.39 1.15 0.00 0.00 0.00 179.25 181.09 2jgf h THR 249 N -0.05 1.13 -0.38 0.00 2.02 -0.74 -1.02 112.91 113.88 2jgf h THR 249 Ca -0.06 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 2jgf h THR 249 Cb 1.25 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2jgf h THR 249 CO 0.11 0.14 0.05 0.25 0.37 0.00 0.00 175.52 176.45 2jgf h LEU 250 N 0.79 0.60 -0.75 2.58 5.85 -1.09 0.05 115.31 123.35 2jgf h LEU 250 Ca 0.23 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2jgf h LEU 250 Cb -0.07 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2jgf h LEU 250 CO -0.06 0.72 0.46 0.25 -0.34 0.00 0.00 178.44 179.47 2jgf h LEU 251 N 0.47 0.74 0.17 2.25 5.85 -0.95 -0.77 115.31 123.07 2jgf h LEU 251 Ca 0.11 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2jgf h LEU 251 Cb 0.37 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2jgf h LEU 251 CO 0.01 0.50 -0.24 0.00 -0.34 0.00 0.00 178.44 178.37 2jgf h ALA 252 N 1.33 -0.45 -0.60 1.25 0.00 -0.77 -2.11 119.26 117.92 2jgf h ALA 252 Ca 0.31 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2jgf h ALA 252 Cb 0.07 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 2jgf h ALA 252 CO -0.13 -0.79 -0.35 0.00 0.00 0.00 0.00 179.25 177.98 2jgf h ARG 253 N -0.48 -0.16 -0.14 0.00 3.08 -0.45 0.05 114.38 116.28 2jgf h ARG 253 Ca 0.01 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2jgf h ARG 253 Cb 0.47 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2jgf h ARG 253 CO -0.10 -0.11 0.21 -0.07 -1.07 0.00 0.00 179.97 178.83 2jgf h LEU 254 N -0.17 0.00 -0.78 3.04 3.38 -0.49 -0.89 115.31 119.40 2jgf h LEU 254 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jgf h LEU 254 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jgf h LEU 254 CO -0.68 0.00 -0.27 1.33 0.09 0.00 0.00 178.44 178.91 2jgf n VAL 255 N -3.53 0.00 0.00 1.22 0.24 -0.73 -5.00 118.33 110.52 2jgf n VAL 255 Ca 0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2jgf n VAL 255 Cb 0.32 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 1.01 0.90 3.27 7.63 0.00 -0.34 -5.08 105.19 112.59 2jgf n GLY 256 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.13 0.00 -0.18 0.00 2.85 -1.26 -4.74 115.26 110.80 2jgf n ASN 265 Ca 0.05 0.66 -0.08 0.00 -0.11 0.00 0.00 54.58 55.10 2jgf n ASN 265 Cb 0.64 -0.98 0.01 0.00 1.24 0.00 0.00 39.78 40.69 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 3.22 0.68 -0.68 1.20 3.32 -2.01 -3.21 116.42 118.93 2jgf h ASP 266 Ca 0.00 -0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.04 2jgf h ASP 266 Cb 0.00 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 39.25 2jgf h ASP 266 CO 0.00 0.63 -0.21 0.74 -1.72 0.00 0.00 179.24 178.68 2jgf h THR 267 N 0.68 0.27 -0.35 0.35 2.02 -2.00 0.71 112.91 114.59 2jgf h THR 267 Ca 0.17 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.27 2jgf h THR 267 Cb 0.14 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2jgf h THR 267 CO -0.02 0.00 -0.13 -0.08 0.37 0.00 0.00 175.52 175.66 2jgf h GLU 268 N -0.04 0.62 -0.04 6.66 4.81 -1.98 0.13 114.58 124.75 2jgf h GLU 268 Ca 0.32 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2jgf h GLU 268 Cb 0.52 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2jgf h GLU 268 CO -0.72 0.73 -0.11 1.25 -0.73 0.00 0.00 179.01 179.44 2jgf h LEU 269 N 0.56 0.17 -0.77 1.64 6.46 -1.33 -2.15 115.31 119.89 2jgf h LEU 269 Ca 0.10 -0.60 -0.09 0.00 -0.12 0.00 0.00 57.88 57.17 2jgf h LEU 269 Cb 0.56 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2jgf h LEU 269 CO 0.04 0.74 0.00 0.40 -0.62 0.00 0.00 178.44 178.99 2jgf h ILE 270 N -0.40 1.26 -0.79 4.05 2.04 -0.73 -0.68 117.51 122.25 2jgf h ILE 270 Ca -0.00 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2jgf h ILE 270 Cb 0.72 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2jgf h ILE 270 CO 0.02 0.39 0.51 0.00 0.00 0.00 0.00 178.15 179.07 2jgf h ALA 271 N 1.13 1.41 -0.21 1.87 0.00 -0.76 -0.07 119.26 122.63 2jgf h ALA 271 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jgf h ALA 271 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jgf h ALA 271 CO 0.02 0.54 -0.12 0.00 0.00 0.00 0.00 179.25 179.70 2jgf h LEU 273 N 0.14 0.86 -1.21 0.00 3.38 -0.65 -0.82 115.31 117.01 2jgf h LEU 273 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jgf h LEU 273 Cb 0.62 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jgf h LEU 273 CO 0.03 0.48 0.00 0.03 0.09 0.00 0.00 178.44 179.07 2jgf h ARG 274 N 0.93 0.00 -0.00 1.13 3.08 -0.85 -1.74 114.38 116.93 2jgf h ARG 274 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2jgf h ARG 274 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jgf h ARG 274 CO -0.22 0.00 -0.44 0.25 -1.07 0.00 0.00 179.97 178.49 2jgf n THR 275 N -2.57 0.00 -2.81 2.04 -2.24 -0.32 -4.89 114.28 103.49 2jgf n THR 275 Ca 0.01 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 2jgf n THR 275 Cb 0.22 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.98 4.71 0.48 -0.78 1.81 -0.66 -5.01 118.95 116.52 2jgf s ARG 276 Ca 0.12 1.36 -0.24 0.00 -1.72 0.00 0.00 55.73 55.25 2jgf s ARG 276 Cb 0.18 -3.12 -0.07 0.00 -0.45 0.00 0.00 34.95 31.49 2jgf s ARG 276 CO 0.67 0.45 1.34 -2.14 -0.68 0.00 0.00 175.30 174.95 2jgf s PRO 277 N -1.47 3.56 0.31 3.54 0.02 -1.26 -4.89 135.00 134.80 2jgf s PRO 277 Ca 0.43 2.21 0.08 0.00 0.02 0.00 0.00 61.00 63.74 2jgf s PRO 277 Cb -0.23 -2.50 0.85 0.00 0.02 0.00 0.00 34.50 32.64 2jgf s PRO 277 CO 0.28 -0.85 1.70 0.00 -0.33 0.00 0.00 177.00 177.80 2jgf h ALA 278 N 2.05 1.65 -0.01 -1.55 0.00 -1.95 -1.93 119.26 117.52 2jgf h ALA 278 Ca -0.50 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2jgf h ALA 278 Cb 1.27 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2jgf h ALA 278 CO 0.60 -0.35 -0.43 0.37 0.00 0.00 0.00 179.25 179.44 2jgf h GLN 279 N 0.45 0.02 -0.99 0.00 5.75 -2.00 -1.79 115.11 116.55 2jgf h GLN 279 Ca 0.62 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 59.13 2jgf h GLN 279 Cb 1.22 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.72 2jgf h GLN 279 CO -0.53 0.44 0.66 -0.44 -2.65 0.00 0.00 178.83 176.31 2jgf h ASP 280 N 0.02 1.12 -0.22 -0.69 5.19 -1.71 -0.70 116.42 119.42 2jgf h ASP 280 Ca -0.00 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.26 2jgf h ASP 280 Cb 0.77 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 2jgf h ASP 280 CO 0.06 0.79 -0.35 -0.07 -3.12 0.00 0.00 179.24 176.55 2jgf h LEU 281 N 1.31 0.69 -0.82 1.55 3.38 -1.34 -2.92 115.31 117.16 2jgf h LEU 281 Ca 0.38 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2jgf h LEU 281 Cb -0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 2jgf h LEU 281 CO -0.10 1.08 0.49 0.58 0.09 0.00 0.00 178.44 180.58 2jgf h VAL 282 N 0.32 1.23 -0.10 1.22 2.07 -1.34 -1.22 116.25 118.43 2jgf h VAL 282 Ca 0.02 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.06 2jgf h VAL 282 Cb 0.94 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2jgf h VAL 282 CO 0.08 0.24 0.14 0.44 0.02 0.00 0.00 177.57 178.49 2jgf h ASP 283 N 1.13 0.00 -0.02 0.57 3.32 -0.94 -2.82 116.42 117.65 2jgf h ASP 283 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2jgf h ASP 283 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2jgf h ASP 283 CO -0.05 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.88 2jgf n HIS 284 N -3.65 0.02 0.27 4.55 8.25 -0.83 -4.72 115.22 119.10 2jgf n HIS 284 Ca -0.00 -0.07 0.11 0.00 -0.26 0.00 0.00 57.72 57.50 2jgf n HIS 284 Cb 0.24 -0.01 0.74 0.00 1.12 0.00 0.00 29.99 32.09 2jgf n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jgf h GLU 285 N 0.57 0.00 -0.00 -0.41 4.11 -0.98 -1.76 114.58 116.11 2jgf h GLU 285 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jgf h GLU 285 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2jgf h GLU 285 CO 0.00 0.06 -0.21 0.91 0.07 0.00 0.00 179.01 179.84 2jgf n TRP 286 N -4.06 0.00 0.96 2.06 7.02 -1.26 -3.93 117.44 118.23 2jgf n TRP 286 Ca -0.03 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.50 2jgf n TRP 286 Cb 0.14 -0.19 0.14 0.00 -2.42 0.00 0.00 31.31 28.98 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 -0.94 0.45 0.14 -5.99 8.25 -0.66 -4.19 115.22 112.27 2jgf n HIS 287 Ca 0.12 -0.21 0.02 0.00 -0.26 0.00 0.00 57.72 57.39 2jgf n HIS 287 Cb 0.31 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 0.41 0.21 -2.71 1.59 0.24 -1.25 -5.01 118.33 111.81 2jgf n VAL 288 Ca 0.11 -0.61 -0.40 0.00 -2.04 0.00 0.00 64.34 61.40 2jgf n VAL 288 Cb 0.29 0.97 -0.05 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.53 4.60 0.32 1.34 1.43 -1.26 -4.79 118.68 119.79 2jgf s LEU 289 Ca 0.06 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.15 2jgf s LEU 289 Cb 0.04 -3.61 0.54 0.00 0.03 0.00 0.00 46.19 43.20 2jgf s LEU 289 CO 0.06 0.06 1.83 1.55 0.23 0.00 0.00 176.35 180.08 2jgf h PRO 290 N 4.52 0.53 -5.06 1.29 0.13 -1.97 -3.44 132.00 127.99 2jgf h PRO 290 Ca -0.45 -0.13 -0.34 0.00 -0.87 0.00 0.00 66.00 64.21 2jgf h PRO 290 Cb 1.20 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2jgf h PRO 290 CO 0.69 0.60 -0.69 -0.65 -0.23 0.00 0.00 178.00 177.72 2jgf s GLN 291 N -4.86 1.16 0.03 0.86 1.11 -1.26 -5.10 119.66 111.59 2jgf s GLN 291 Ca -0.07 -1.53 -0.30 0.00 0.01 0.00 0.00 55.36 53.46 2jgf s GLN 291 Cb 0.15 -0.60 -0.09 0.00 -1.01 0.00 0.00 33.01 31.46 2jgf s GLN 291 CO 0.77 0.01 1.94 -2.00 0.01 0.00 0.00 175.29 176.02 2jgf s GLU 292 N -3.79 4.14 0.05 2.91 2.12 -1.26 -4.95 118.70 117.92 2jgf s GLU 292 Ca 0.21 2.58 -0.13 0.00 0.36 0.00 0.00 54.97 57.99 2jgf s GLU 292 Cb 0.04 -4.14 0.02 0.00 0.26 0.00 0.00 34.13 30.31 2jgf s GLU 292 CO 0.03 -0.95 0.29 -1.54 -0.54 0.00 0.00 175.26 172.56 2jgf s SER 293 N 4.32 -0.09 0.23 -1.70 1.04 -1.26 -4.50 113.70 111.74 2jgf s SER 293 Ca 0.87 -0.26 0.11 0.00 0.48 0.00 0.00 55.95 57.15 2jgf s SER 293 Cb -0.42 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 2jgf s SER 293 CO 0.41 -0.64 -0.21 0.27 0.98 0.00 0.00 173.24 174.05 2jgf s ILE 294 N -2.78 2.32 -1.40 -1.02 -4.36 -1.19 -4.73 121.20 108.04 2jgf s ILE 294 Ca -0.03 -2.22 -0.04 0.00 -0.26 0.00 0.00 60.65 58.10 2jgf s ILE 294 Cb -0.00 -2.18 0.02 0.00 1.25 0.00 0.00 42.46 41.55 2jgf s ILE 294 CO -0.05 -0.31 0.30 0.33 0.24 0.00 0.00 174.94 175.46 2jgf n PHE 295 N -0.21 -1.60 -4.61 1.37 -0.00 -1.26 -4.81 117.46 106.33 2jgf n PHE 295 Ca -0.09 0.27 -0.23 0.00 -0.00 0.00 0.00 57.45 57.40 2jgf n PHE 295 Cb 0.58 -3.55 -0.14 0.00 -0.00 0.00 0.00 39.48 36.37 2jgf n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2jgf s ARG 296 N -5.48 1.24 0.02 -4.13 1.81 -1.26 -4.70 118.95 106.45 2jgf s ARG 296 Ca 0.19 -0.77 0.02 0.00 -1.72 0.00 0.00 55.73 53.45 2jgf s ARG 296 Cb -0.09 -1.27 -0.01 0.00 -0.45 0.00 0.00 34.95 33.12 2jgf s ARG 296 CO 0.23 0.33 -0.08 -0.06 -0.68 0.00 0.00 175.30 175.05 2jgf s PHE 297 N -0.67 0.66 0.03 -0.53 0.08 -1.26 -5.05 117.98 111.24 2jgf s PHE 297 Ca 0.05 -0.27 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 2jgf s PHE 297 Cb -0.08 -0.41 -0.15 0.00 -0.57 0.00 0.00 43.02 41.82 2jgf s PHE 297 CO 0.01 -0.03 1.37 0.77 -0.10 0.00 0.00 175.22 177.24 2jgf h SER 298 N 5.35 0.28 -3.71 1.36 0.02 -1.90 -3.40 113.55 111.55 2jgf h SER 298 Ca -0.32 -0.44 -0.66 0.00 -0.84 0.00 0.00 61.79 59.54 2jgf h SER 298 Cb 1.19 -0.08 -0.39 0.00 0.14 0.00 0.00 62.40 63.26 2jgf h SER 298 CO 0.46 0.66 -0.75 -0.36 -1.14 0.00 0.00 176.83 175.70 2jgf s PHE 299 N -4.48 3.42 0.33 3.45 0.08 -1.26 -5.00 117.98 114.51 2jgf s PHE 299 Ca -0.14 -2.66 0.03 0.00 0.12 0.00 0.00 56.93 54.28 2jgf s PHE 299 Cb 0.05 -2.48 -0.06 0.00 -0.57 0.00 0.00 43.02 39.96 2jgf s PHE 299 CO 0.73 -0.91 0.07 0.14 -0.10 0.00 0.00 175.22 175.15 2jgf s VAL 300 N 1.03 1.00 0.06 -0.44 -7.23 -1.26 -4.51 120.40 109.05 2jgf s VAL 300 Ca 0.04 -2.00 -0.38 0.00 -1.81 0.00 0.00 61.98 57.83 2jgf s VAL 300 Cb -0.19 -2.70 -0.18 0.00 0.56 0.00 0.00 36.38 33.87 2jgf s VAL 300 CO -0.08 0.00 1.27 -2.65 -0.31 0.00 0.00 175.10 173.33 2jgf n PRO 301 N -0.69 0.84 -3.98 4.82 -0.02 -1.22 -4.67 135.00 130.08 2jgf n PRO 301 Ca -0.02 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 2jgf n PRO 301 Cb 0.66 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.36 5.25 -0.90 -1.45 0.11 -1.26 -1.10 120.40 121.41 2jgf s VAL 302 Ca 0.86 0.07 -0.24 0.00 -2.93 0.00 0.00 61.98 59.74 2jgf s VAL 302 Cb -1.04 -3.29 -0.00 0.00 -1.53 0.00 0.00 36.38 30.52 2jgf s VAL 302 CO 0.50 0.58 1.69 -0.69 -3.33 0.00 0.00 175.10 173.85 2jgf s VAL 303 N -1.03 3.64 -1.45 2.04 1.01 -0.28 -4.62 120.40 119.72 2jgf s VAL 303 Ca 0.16 -0.38 0.23 0.00 0.00 0.00 0.00 61.98 61.99 2jgf s VAL 303 Cb -0.12 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2jgf s VAL 303 CO 0.05 -1.40 1.15 -0.90 0.00 0.00 0.00 175.10 174.01 2jgf n ASP 304 N 11.52 1.24 -0.10 3.32 5.75 -1.21 -3.79 116.55 133.29 2jgf n ASP 304 Ca 0.32 -1.02 -0.01 0.00 -0.01 0.00 0.00 54.79 54.07 2jgf n ASP 304 Cb 0.49 0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 41.15 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 1.45 0.37 0.00 6.12 0.00 0.60 -4.87 105.19 108.86 2jgf n GLY 305 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.40 0.00 -0.12 1.61 2.03 -1.26 -4.64 116.55 113.77 2jgf n ASP 306 Ca -0.01 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.25 2jgf n ASP 306 Cb 0.26 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.17 -3.69 -0.67 3.04 -1.92 -3.34 116.94 110.19 2jgf h PHE 307 Ca 0.00 0.04 -0.69 0.00 3.98 0.00 0.00 57.97 61.29 2jgf h PHE 307 Cb 0.00 0.14 -0.30 0.00 2.56 0.00 0.00 35.95 38.35 2jgf h PHE 307 CO 0.00 -0.16 -0.62 -0.51 -2.02 0.00 0.00 178.31 175.00 2jgf s LEU 308 N -10.60 4.27 0.31 0.59 1.43 -1.26 -4.53 118.68 108.90 2jgf s LEU 308 Ca -0.14 -1.22 0.15 0.00 -1.03 0.00 0.00 54.13 51.89 2jgf s LEU 308 Cb 0.14 -1.83 0.45 0.00 0.03 0.00 0.00 46.19 44.98 2jgf s LEU 308 CO 0.71 -0.32 1.63 0.77 0.23 0.00 0.00 176.35 179.37 2jgf h SER 309 N 8.16 0.00 -3.38 2.29 4.64 -1.83 0.17 113.55 123.61 2jgf h SER 309 Ca -0.22 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.87 2jgf h SER 309 Cb 1.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 2jgf h SER 309 CO 0.59 0.51 -0.19 -0.67 -0.87 0.00 0.00 176.83 176.21 2jgf n ASP 310 N -3.58 -0.62 -4.74 4.97 -0.08 -1.26 -4.40 116.55 106.84 2jgf n ASP 310 Ca -0.00 -2.23 -0.37 0.00 -1.51 0.00 0.00 54.79 50.67 2jgf n ASP 310 Cb 0.60 1.26 0.05 0.00 2.34 0.00 0.00 41.12 45.37 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 -2.74 2.11 0.23 5.18 -4.23 -1.26 -4.81 115.64 110.12 2jgf s THR 311 Ca 0.21 0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 60.72 2jgf s THR 311 Cb 0.00 -3.03 0.19 0.00 1.34 0.00 0.00 72.50 71.00 2jgf s THR 311 CO 0.15 -0.01 1.72 -0.65 -0.54 0.00 0.00 174.62 175.29 2jgf h PRO 312 N 0.98 0.36 -0.42 3.99 0.11 -1.98 -1.43 132.00 133.60 2jgf h PRO 312 Ca -0.51 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.66 2jgf h PRO 312 Cb 1.32 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 2jgf h PRO 312 CO 0.55 0.24 -0.32 0.93 -0.21 0.00 0.00 178.00 179.20 2jgf h GLU 313 N 0.37 -0.22 -0.74 1.05 3.07 -1.91 0.19 114.58 116.39 2jgf h GLU 313 Ca 0.37 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.30 2jgf h GLU 313 Cb 0.54 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.44 2jgf h GLU 313 CO -0.39 -0.15 0.43 0.00 -1.40 0.00 0.00 179.01 177.50 2jgf h ALA 314 N 0.83 1.01 -0.24 3.43 0.00 -1.75 -0.02 119.26 122.52 2jgf h ALA 314 Ca 0.18 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2jgf h ALA 314 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jgf h ALA 314 CO -0.55 0.13 -0.44 -0.07 0.00 0.00 0.00 179.25 178.32 2jgf h LEU 315 N 0.79 0.63 -0.19 0.00 3.38 -0.33 -2.81 115.31 116.77 2jgf h LEU 315 Ca 0.33 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2jgf h LEU 315 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2jgf h LEU 315 CO -0.18 0.98 -0.61 0.16 0.09 0.00 0.00 178.44 178.87 2jgf h ILE 316 N 0.48 1.11 -0.12 1.22 3.07 -0.40 -0.78 117.51 122.09 2jgf h ILE 316 Ca 0.03 -2.41 -0.06 0.00 1.55 0.00 0.00 64.86 63.98 2jgf h ILE 316 Cb 0.95 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 39.93 2jgf h ILE 316 CO 0.09 0.60 -0.18 0.78 -1.05 0.00 0.00 178.15 178.39 2jgf h ASN 317 N 0.00 0.19 0.00 2.16 2.35 -0.91 -3.35 115.58 116.02 2jgf h ASN 317 Ca -0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2jgf h ASN 317 Cb 1.39 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2jgf h ASN 317 CO 0.08 0.39 0.00 0.35 -1.65 0.00 0.00 177.43 176.59 2jgf n THR 318 N -4.24 0.32 -2.62 2.81 -2.24 -1.07 -5.07 114.28 102.17 2jgf n THR 318 Ca -0.01 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 2jgf n THR 318 Cb 0.29 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.32 2.32 -0.50 3.38 0.00 -0.30 -5.03 107.32 106.87 2jgf s GLY 319 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 44.72 44.93 2jgf s GLY 319 CO 0.00 0.67 0.54 -0.35 0.00 0.00 0.00 173.10 173.97 2jgf s ASP 320 N -2.40 6.19 -0.43 1.64 2.15 -1.26 -4.88 116.67 117.68 2jgf s ASP 320 Ca 0.62 -1.11 0.04 0.00 0.43 0.00 0.00 52.55 52.53 2jgf s ASP 320 Cb -0.11 -2.25 0.45 0.00 -0.30 0.00 0.00 42.92 40.71 2jgf s ASP 320 CO 0.20 -0.81 1.48 0.49 -0.17 0.00 0.00 175.17 176.36 2jgf n PHE 321 N 5.80 2.93 0.17 -5.34 3.72 -0.66 -4.85 117.46 119.24 2jgf n PHE 321 Ca -0.09 -2.52 -0.15 0.00 -0.05 0.00 0.00 57.45 54.65 2jgf n PHE 321 Cb 0.44 -0.71 -0.07 0.00 -0.94 0.00 0.00 39.48 38.20 2jgf n PHE 321 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2jgf h GLN 322 N 2.15 -0.63 -0.21 -1.08 5.75 -1.71 -2.23 115.11 117.15 2jgf h GLN 322 Ca 0.45 0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.86 2jgf h GLN 322 Cb 1.26 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 2jgf h GLN 322 CO 1.05 -0.42 -0.43 0.38 -2.65 0.00 0.00 178.83 176.76 2jgf h ASP 323 N -0.65 0.54 -1.77 -0.69 2.03 -1.89 -3.40 116.42 110.58 2jgf h ASP 323 Ca 0.00 -0.25 -0.68 0.00 -0.73 0.00 0.00 57.03 55.38 2jgf h ASP 323 Cb 0.63 -0.15 0.03 0.00 -0.83 0.00 0.00 39.33 39.01 2jgf h ASP 323 CO -0.13 0.90 0.78 -0.11 -1.03 0.00 0.00 179.24 179.65 2jgf n LEU 324 N -4.01 2.44 -4.41 0.15 7.94 -1.12 -4.79 117.00 113.19 2jgf n LEU 324 Ca -0.02 1.07 -0.35 0.00 -1.11 0.00 0.00 56.01 55.60 2jgf n LEU 324 Cb 0.52 -1.24 -0.13 0.00 0.53 0.00 0.00 43.42 43.11 2jgf n LEU 324 CO 0.45 -0.54 -0.33 -1.10 -1.11 0.00 0.00 177.39 174.76 2jgf s GLN 325 N 2.32 3.57 -0.05 1.96 1.11 -1.26 -0.61 119.66 126.70 2jgf s GLN 325 Ca 0.90 -0.53 0.02 0.00 0.01 0.00 0.00 55.36 55.76 2jgf s GLN 325 Cb -0.91 -3.14 0.01 0.00 -1.01 0.00 0.00 33.01 27.96 2jgf s GLN 325 CO 0.53 -0.10 -0.09 0.08 0.01 0.00 0.00 175.29 175.72 2jgf s VAL 326 N 1.30 0.88 -0.19 1.09 1.01 0.96 -1.86 120.40 123.59 2jgf s VAL 326 Ca 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2jgf s VAL 326 Cb -0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2jgf s VAL 326 CO 0.01 0.29 -0.03 -0.22 0.00 0.00 0.00 175.10 175.15 2jgf s LEU 327 N 0.61 3.14 0.06 3.92 2.96 0.03 -0.67 118.68 128.72 2jgf s LEU 327 Ca -0.11 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2jgf s LEU 327 Cb -0.14 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2jgf s LEU 327 CO 0.02 0.08 -0.09 0.68 -1.32 0.00 0.00 176.35 175.72 2jgf s VAL 328 N 0.91 0.70 0.00 1.68 -7.23 0.00 -0.60 120.40 115.86 2jgf s VAL 328 Ca 0.00 -1.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2jgf s VAL 328 Cb -0.14 -0.90 0.01 0.00 0.56 0.00 0.00 36.38 35.90 2jgf s VAL 328 CO 0.01 -0.44 0.09 0.61 -0.31 0.00 0.00 175.10 175.07 2jgf n GLY 329 N 1.14 0.70 3.37 2.32 0.00 -1.12 -1.31 105.19 110.29 2jgf n GLY 329 Ca -0.20 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.20 0.07 0.45 1.61 -7.23 -0.95 -0.92 120.40 111.22 2jgf s VAL 330 Ca 0.02 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 2jgf s VAL 330 Cb -0.00 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.46 2jgf s VAL 330 CO 0.00 -0.30 0.66 0.68 -0.31 0.00 0.00 175.10 175.83 2jgf s VAL 331 N -3.87 3.79 0.20 1.32 -7.23 -1.26 0.34 120.40 113.69 2jgf s VAL 331 Ca 0.09 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 2jgf s VAL 331 Cb 0.02 -3.39 0.13 0.00 0.56 0.00 0.00 36.38 33.70 2jgf s VAL 331 CO -0.06 -0.25 1.86 0.50 -0.31 0.00 0.00 175.10 176.83 2jgf h LYS 332 N 0.42 0.85 -2.48 4.82 3.64 -1.24 -3.34 116.57 119.24 2jgf h LYS 332 Ca -0.45 -0.05 -0.60 0.00 -1.27 0.00 0.00 60.65 58.28 2jgf h LYS 332 Cb 1.26 -0.19 -0.41 0.00 -0.41 0.00 0.00 32.23 32.48 2jgf h LYS 332 CO 0.56 0.56 -0.69 -0.25 -2.27 0.00 0.00 179.45 177.36 2jgf n ASP 333 N -4.65 2.62 0.00 4.20 9.92 -0.30 -4.90 116.55 123.45 2jgf n ASP 333 Ca 0.07 -3.16 0.03 0.00 -0.53 0.00 0.00 54.79 51.19 2jgf n ASP 333 Cb 0.05 -0.68 0.40 0.00 -0.64 0.00 0.00 41.12 40.25 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 4.71 0.53 0.00 -1.24 4.39 -1.74 -3.11 114.58 118.10 2jgf h GLU 334 Ca 0.17 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2jgf h GLU 334 Cb 0.74 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2jgf h GLU 334 CO 0.70 0.39 -0.92 0.78 -1.16 0.00 0.00 179.01 178.80 2jgf h GLY 335 N 0.61 0.00 1.00 -3.84 0.00 -1.85 -3.37 103.07 95.62 2jgf h GLY 335 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2jgf h GLY 335 CO -0.02 0.00 0.33 1.48 0.00 0.00 0.00 176.54 178.33 2jgf h SER 336 N 0.00 0.63 -0.61 0.19 4.64 -1.78 -2.52 113.55 114.10 2jgf h SER 336 Ca -0.00 -0.05 0.13 0.00 -0.47 0.00 0.00 61.79 61.40 2jgf h SER 336 Cb 1.02 -0.16 -0.10 0.00 -0.31 0.00 0.00 62.40 62.84 2jgf h SER 336 CO 0.00 0.49 -0.02 0.22 -0.87 0.00 0.00 176.83 176.65 2jgf h TYR 337 N 0.72 -0.08 0.00 4.77 3.20 -1.81 -2.52 116.97 121.25 2jgf h TYR 337 Ca 0.19 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2jgf h TYR 337 Cb -0.03 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2jgf h TYR 337 CO -0.03 -0.18 -0.10 0.74 -1.64 0.00 0.00 178.16 176.95 2jgf h PHE 338 N 0.10 0.00 0.00 -3.82 -1.00 -1.73 -3.08 116.94 107.40 2jgf h PHE 338 Ca 0.32 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.04 2jgf h PHE 338 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 2jgf h PHE 338 CO -0.38 0.10 -0.27 -0.07 -1.61 0.00 0.00 178.31 176.09 2jgf h LEU 339 N 0.00 0.00 0.00 1.54 3.38 -1.44 -2.25 115.31 116.54 2jgf h LEU 339 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jgf h LEU 339 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jgf h LEU 339 CO 0.01 0.27 -0.08 1.33 0.09 0.00 0.00 178.44 180.06 2jgf n VAL 340 N -3.73 0.07 -0.67 1.22 0.24 -1.16 -2.20 118.33 112.09 2jgf n VAL 340 Ca -0.01 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 62.07 2jgf n VAL 340 Cb 0.38 -0.40 0.11 0.00 -1.47 0.00 0.00 33.84 32.46 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 -1.59 2.17 0.00 6.34 4.02 -0.84 -4.71 117.16 122.56 2jgf n TYR 341 Ca 0.07 -1.66 0.00 0.00 -0.01 0.00 0.00 57.90 56.30 2jgf n TYR 341 Cb 0.35 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.84 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 -0.55 1.16 3.44 2.72 0.00 -1.24 -4.86 105.19 105.86 2jgf n GLY 342 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.16 4.54 0.32 1.61 1.01 -0.93 -4.91 120.40 120.88 2jgf s VAL 343 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2jgf s VAL 343 Cb 0.00 -3.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.97 2jgf s VAL 343 CO 0.00 0.11 1.41 -2.65 0.00 0.00 0.00 175.10 173.96 2jgf n PRO 344 N 4.97 2.32 0.00 2.72 -0.02 -1.26 -2.16 135.00 141.57 2jgf n PRO 344 Ca -0.14 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2jgf n PRO 344 Cb 0.49 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 1.24 2.17 3.88 -1.23 0.00 -1.26 -4.92 105.19 105.06 2jgf n GLY 345 Ca 0.06 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.62 3.60 0.00 1.61 0.40 -0.92 -4.60 117.98 116.46 2jgf s PHE 346 Ca 0.00 0.64 -0.28 0.00 -0.60 0.00 0.00 56.93 56.69 2jgf s PHE 346 Cb 0.00 -2.04 0.09 0.00 0.51 0.00 0.00 43.02 41.58 2jgf s PHE 346 CO 0.00 0.62 0.78 0.45 0.70 0.00 0.00 175.22 177.76 2jgf s SER 347 N -1.58 -0.50 0.39 1.36 0.15 -1.26 -4.66 113.70 107.61 2jgf s SER 347 Ca 0.27 0.25 0.25 0.00 0.70 0.00 0.00 55.95 57.42 2jgf s SER 347 Cb -0.13 0.47 0.61 0.00 -1.71 0.00 0.00 66.02 65.25 2jgf s SER 347 CO 0.15 -0.67 1.70 0.07 1.20 0.00 0.00 173.24 175.69 2jgf h LYS 348 N 2.35 0.00 0.00 5.44 2.10 -1.98 -3.34 116.57 121.14 2jgf h LYS 348 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2jgf h LYS 348 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2jgf h LYS 348 CO 0.35 0.00 -0.52 -0.25 -2.00 0.00 0.00 179.45 177.03 2jgf n ASP 349 N -2.87 0.52 -2.42 7.07 8.00 -1.26 -4.43 116.55 121.16 2jgf n ASP 349 Ca 0.04 -0.23 -0.12 0.00 0.71 0.00 0.00 54.79 55.20 2jgf n ASP 349 Cb 0.46 0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.78 2jgf n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jgf n ASN 350 N -1.55 0.19 0.01 -2.24 0.23 -1.25 -5.05 115.26 105.59 2jgf n ASN 350 Ca 0.05 -2.18 0.11 0.00 -0.53 0.00 0.00 54.58 52.03 2jgf n ASN 350 Cb 0.34 0.77 0.47 0.00 -2.08 0.00 0.00 39.78 39.28 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 -0.40 0.02 -3.89 -3.83 -0.58 -1.26 -4.72 120.64 105.98 2jgf n GLU 351 Ca 0.01 0.14 -0.29 0.00 -0.42 0.00 0.00 57.16 56.60 2jgf n GLU 351 Cb 0.33 -1.53 0.03 0.00 -0.57 0.00 0.00 31.44 29.70 2jgf n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jgf n SER 352 N -1.56 -4.52 -4.68 1.62 7.64 -1.26 -4.93 113.62 105.92 2jgf n SER 352 Ca 0.05 -0.78 -0.42 0.00 1.01 0.00 0.00 58.87 58.73 2jgf n SER 352 Cb 0.26 -3.94 -0.03 0.00 -1.01 0.00 0.00 64.21 59.50 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 -7.23 4.34 0.30 -3.43 1.43 -1.26 -4.66 118.68 108.16 2jgf s LEU 353 Ca 0.60 2.29 0.10 0.00 -1.03 0.00 0.00 54.13 56.10 2jgf s LEU 353 Cb -0.30 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 2jgf s LEU 353 CO 0.83 -0.84 -0.10 0.27 0.23 0.00 0.00 176.35 176.73 2jgf s ILE 354 N 2.94 2.65 0.60 -0.59 -4.36 -1.21 -5.01 121.20 116.22 2jgf s ILE 354 Ca 0.70 -2.19 -0.03 0.00 -0.26 0.00 0.00 60.65 58.87 2jgf s ILE 354 Cb -0.35 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 40.83 2jgf s ILE 354 CO 0.29 -0.32 0.86 -0.94 0.24 0.00 0.00 174.94 175.08 2jgf s SER 355 N -3.60 5.24 0.38 4.36 1.04 -1.26 -4.17 113.70 115.69 2jgf s SER 355 Ca 0.32 0.30 0.10 0.00 0.48 0.00 0.00 55.95 57.14 2jgf s SER 355 Cb -0.03 -1.16 0.78 0.00 0.10 0.00 0.00 66.02 65.70 2jgf s SER 355 CO 0.17 -1.23 1.91 -0.09 0.98 0.00 0.00 173.24 174.97 2jgf h ARG 356 N -0.16 0.23 -0.06 4.02 2.43 -1.89 -0.87 114.38 118.08 2jgf h ARG 356 Ca -0.44 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2jgf h ARG 356 Cb 1.29 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2jgf h ARG 356 CO 0.57 0.38 0.01 0.00 -1.51 0.00 0.00 179.97 179.42 2jgf h ALA 357 N 1.64 0.08 0.00 2.80 0.00 -1.99 -1.18 119.26 120.61 2jgf h ALA 357 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jgf h ALA 357 Cb 0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jgf h ALA 357 CO 0.02 -0.28 -0.09 1.96 0.00 0.00 0.00 179.25 180.86 2jgf h GLN 358 N -0.14 0.00 0.02 0.00 4.20 -1.77 -1.37 115.11 116.06 2jgf h GLN 358 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2jgf h GLN 358 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2jgf h GLN 358 CO 0.00 0.09 -0.01 0.35 -0.67 0.00 0.00 178.83 178.59 2jgf h PHE 359 N 0.00 -0.03 -0.95 2.96 3.04 -0.75 -0.27 116.94 120.94 2jgf h PHE 359 Ca -0.00 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.03 2jgf h PHE 359 Cb 0.20 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.65 2jgf h PHE 359 CO 0.00 0.54 0.61 -0.07 -2.02 0.00 0.00 178.31 177.37 2jgf h LEU 360 N -0.62 0.92 -0.33 0.59 3.38 -0.78 0.15 115.31 118.62 2jgf h LEU 360 Ca -0.00 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2jgf h LEU 360 Cb 0.58 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jgf h LEU 360 CO 0.00 0.55 -0.54 0.00 0.09 0.00 0.00 178.44 178.54 2jgf h ALA 361 N 1.51 0.50 -0.56 1.53 0.00 -1.30 -3.02 119.26 117.92 2jgf h ALA 361 Ca 0.43 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2jgf h ALA 361 Cb 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jgf h ALA 361 CO -0.19 0.68 0.21 0.78 0.00 0.00 0.00 179.25 180.74 2jgf h GLY 362 N 0.74 0.88 1.28 0.00 0.00 -0.09 -2.20 103.07 103.68 2jgf h GLY 362 Ca 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2jgf h GLY 362 CO 0.12 0.43 0.05 -2.08 0.00 0.00 0.00 176.54 175.06 2jgf h VAL 363 N 0.81 1.24 -0.42 4.60 2.07 -1.01 0.49 116.25 124.03 2jgf h VAL 363 Ca 0.19 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 2jgf h VAL 363 Cb 0.18 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2jgf h VAL 363 CO -0.02 0.35 -0.00 0.03 0.02 0.00 0.00 177.57 177.96 2jgf h ARG 364 N 0.83 0.68 0.19 1.57 2.47 -1.28 -0.18 114.38 118.65 2jgf h ARG 364 Ca 0.17 -0.17 -0.28 0.00 -1.26 0.00 0.00 59.98 58.43 2jgf h ARG 364 Cb 0.42 -0.09 0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2jgf h ARG 364 CO 0.01 0.70 -1.31 0.82 0.56 0.00 0.00 179.97 180.75 2jgf h ILE 365 N 0.64 1.25 0.00 2.04 2.04 -1.08 -3.17 117.51 119.23 2jgf h ILE 365 Ca 0.13 -2.56 -0.07 0.00 1.00 0.00 0.00 64.86 63.36 2jgf h ILE 365 Cb 0.41 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2jgf h ILE 365 CO 0.02 0.77 -0.33 1.23 0.00 0.00 0.00 178.15 179.84 2jgf h GLY 366 N 0.06 0.00 -5.78 5.37 0.00 0.02 -3.15 103.07 99.59 2jgf h GLY 366 Ca -0.25 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.51 2jgf h GLY 366 CO 0.18 0.00 -0.74 -0.62 0.00 0.00 0.00 176.54 175.37 2jgf n VAL 367 N -4.12 2.04 0.28 4.60 0.31 -0.09 -4.83 118.33 116.53 2jgf n VAL 367 Ca -0.02 -5.17 0.11 0.00 -0.01 0.00 0.00 64.34 59.25 2jgf n VAL 367 Cb 0.37 -1.58 0.51 0.00 -0.91 0.00 0.00 33.84 32.23 2jgf n VAL 367 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jgf n PRO 368 N 0.39 0.16 0.00 5.55 -0.04 -1.20 -0.89 135.00 138.97 2jgf n PRO 368 Ca 0.29 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.39 2jgf n PRO 368 Cb 0.44 -1.89 0.28 0.00 -0.04 0.00 0.00 33.50 32.29 2jgf n PRO 368 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jgf n GLN 369 N -2.20 0.04 -2.36 0.54 3.00 -1.26 -4.92 117.38 110.21 2jgf n GLN 369 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2jgf n GLN 369 Cb 0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.98 3.44 1.27 -1.58 0.00 -0.07 -5.05 121.76 116.79 2jgf s ALA 370 Ca 0.12 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 2jgf s ALA 370 Cb 0.18 -3.46 0.27 0.00 0.00 0.00 0.00 23.12 20.11 2jgf s ALA 370 CO 0.68 -0.45 0.86 -1.13 0.00 0.00 0.00 175.76 175.71 2jgf n SER 371 N 3.65 -2.49 -0.16 0.00 3.41 -1.26 -4.71 113.62 112.05 2jgf n SER 371 Ca 0.08 -0.96 -0.08 0.00 -0.26 0.00 0.00 58.87 57.65 2jgf n SER 371 Cb 0.45 -0.83 0.01 0.00 -0.26 0.00 0.00 64.21 63.57 2jgf n SER 371 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jgf h ASP 372 N -2.72 0.62 -0.30 4.04 3.32 -1.99 -1.97 116.42 117.42 2jgf h ASP 372 Ca -0.34 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 2jgf h ASP 372 Cb 1.07 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2jgf h ASP 372 CO 0.22 0.60 -0.12 0.25 -1.72 0.00 0.00 179.24 178.47 2jgf h LEU 373 N 0.61 0.62 -0.42 1.55 5.85 -1.99 -1.52 115.31 120.01 2jgf h LEU 373 Ca 0.16 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.53 2jgf h LEU 373 Cb 0.15 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2jgf h LEU 373 CO -0.02 0.87 0.19 0.00 -0.34 0.00 0.00 178.44 179.14 2jgf h ALA 374 N 0.77 0.52 -0.39 1.25 0.00 -1.89 0.24 119.26 119.76 2jgf h ALA 374 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jgf h ALA 374 Cb 0.63 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jgf h ALA 374 CO 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.02 2jgf h ALA 375 N 1.24 1.12 -0.31 0.00 0.00 -1.29 -1.36 119.26 118.67 2jgf h ALA 375 Ca 0.19 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jgf h ALA 375 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2jgf h ALA 375 CO -0.15 0.55 0.13 1.49 0.00 0.00 0.00 179.25 181.27 2jgf h GLU 376 N 0.62 0.27 -0.53 0.00 4.57 -0.60 -0.67 114.58 118.25 2jgf h GLU 376 Ca 0.11 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2jgf h GLU 376 Cb 0.51 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2jgf h GLU 376 CO 0.03 0.18 0.28 0.00 -1.18 0.00 0.00 179.01 178.32 2jgf h ALA 377 N 1.18 0.68 0.02 2.92 0.00 -0.11 0.15 119.26 124.09 2jgf h ALA 377 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jgf h ALA 377 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jgf h ALA 377 CO -0.11 -0.06 -0.06 0.28 0.00 0.00 0.00 179.25 179.29 2jgf h VAL 378 N 0.54 0.84 -0.83 0.00 2.07 -0.95 0.20 116.25 118.12 2jgf h VAL 378 Ca 0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.76 2jgf h VAL 378 Cb 0.12 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2jgf h VAL 378 CO -0.15 0.00 0.54 0.58 0.02 0.00 0.00 177.57 178.57 2jgf h VAL 379 N -0.13 1.20 0.16 2.57 2.07 -0.73 -0.87 116.25 120.52 2jgf h VAL 379 Ca 0.02 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2jgf h VAL 379 Cb 0.14 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2jgf h VAL 379 CO -0.05 0.20 -0.07 -0.07 0.02 0.00 0.00 177.57 177.60 2jgf h LEU 380 N 1.11 -0.18 -1.07 2.57 -0.00 -0.25 -1.36 115.31 116.13 2jgf h LEU 380 Ca 0.31 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.15 2jgf h LEU 380 Cb -0.11 0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.55 2jgf h LEU 380 CO -0.07 -0.06 0.63 -0.74 -0.00 0.00 0.00 178.44 178.19 2jgf h HIS 381 N -0.28 1.19 0.00 1.13 2.76 -0.09 -3.21 115.15 116.66 2jgf h HIS 381 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2jgf h HIS 381 Cb 0.22 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 28.77 2jgf h HIS 381 CO -0.05 0.75 -1.02 0.66 -1.30 0.00 0.00 177.93 176.97 2jgf n TYR 382 N -4.40 0.15 -2.04 5.26 4.02 -0.38 -4.86 117.16 114.92 2jgf n TYR 382 Ca 0.11 0.04 -0.41 0.00 -0.01 0.00 0.00 57.90 57.63 2jgf n TYR 382 Cb 0.03 -0.32 -0.02 0.00 -0.02 0.00 0.00 39.34 39.00 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 -3.15 2.75 -0.62 -0.72 2.01 -0.52 -4.90 115.64 110.50 2jgf s THR 383 Ca 0.05 0.62 -0.22 0.00 0.31 0.00 0.00 61.69 62.45 2jgf s THR 383 Cb 0.15 -3.40 0.07 0.00 0.01 0.00 0.00 72.50 69.33 2jgf s THR 383 CO 0.81 0.10 0.89 -0.62 -0.69 0.00 0.00 174.62 175.11 2jgf s ASP 384 N 0.39 6.21 0.00 3.53 -1.08 -1.26 -4.95 116.67 119.51 2jgf s ASP 384 Ca 0.59 -0.93 0.07 0.00 -0.52 0.00 0.00 52.55 51.77 2jgf s ASP 384 Cb -0.41 -2.39 0.34 0.00 -1.46 0.00 0.00 42.92 39.00 2jgf s ASP 384 CO 0.42 -1.31 1.11 0.79 0.52 0.00 0.00 175.17 176.71 2jgf n TRP 385 N 7.33 0.00 0.01 -5.34 7.02 -1.26 -1.13 117.44 124.07 2jgf n TRP 385 Ca -0.04 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.26 2jgf n TRP 385 Cb 0.45 -0.33 -0.10 0.00 -2.42 0.00 0.00 31.31 28.91 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 0.69 -5.84 -0.99 3.38 -2.04 -3.39 115.31 107.13 2jgf h LEU 386 Ca 0.00 -0.73 -0.55 0.00 0.09 0.00 0.00 57.88 56.70 2jgf h LEU 386 Cb 0.08 -0.21 -0.41 0.00 0.09 0.00 0.00 40.66 40.21 2jgf h LEU 386 CO 0.00 1.33 -0.93 1.41 0.09 0.00 0.00 178.44 180.34 2jgf n HIS 387 N -4.09 1.71 0.19 1.13 8.25 -0.28 -4.96 115.22 117.17 2jgf n HIS 387 Ca -0.10 -3.87 0.09 0.00 -0.26 0.00 0.00 57.72 53.58 2jgf n HIS 387 Cb 0.73 -0.45 0.45 0.00 1.12 0.00 0.00 29.99 31.84 2jgf n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jgf n PRO 388 N 0.46 0.12 -0.02 -0.41 -0.04 -0.49 -1.72 135.00 132.90 2jgf n PRO 388 Ca 0.27 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.34 2jgf n PRO 388 Cb 0.52 -1.84 0.06 0.00 -0.04 0.00 0.00 33.50 32.20 2jgf n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jgf n GLU 389 N -2.08 0.88 -2.17 0.54 -0.58 -1.26 -4.86 120.64 111.11 2jgf n GLU 389 Ca -0.00 -1.30 -0.42 0.00 -0.42 0.00 0.00 57.16 55.01 2jgf n GLU 389 Cb 0.07 -1.24 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 2jgf n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jgf s ASP 390 N -1.01 6.78 0.28 1.62 2.15 -0.70 -4.77 116.67 121.02 2jgf s ASP 390 Ca 0.15 2.03 0.00 0.00 0.43 0.00 0.00 52.55 55.17 2jgf s ASP 390 Cb 0.10 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.61 2jgf s ASP 390 CO 0.15 -0.85 1.79 -0.65 -0.17 0.00 0.00 175.17 175.44 2jgf h PRO 391 N 8.93 0.67 -0.25 4.34 0.11 -1.91 -0.61 132.00 143.28 2jgf h PRO 391 Ca -0.35 -0.18 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2jgf h PRO 391 Cb 1.15 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2jgf h PRO 391 CO 0.96 0.71 -0.06 1.15 -0.21 0.00 0.00 178.00 180.55 2jgf h THR 392 N 0.63 1.28 0.17 -1.15 2.02 -1.91 -0.33 112.91 113.62 2jgf h THR 392 Ca 0.12 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 2jgf h THR 392 Cb 0.45 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2jgf h THR 392 CO 0.02 0.34 -0.08 -0.74 0.37 0.00 0.00 175.52 175.43 2jgf h HIS 393 N 0.23 -0.21 -0.96 3.16 -0.00 -1.86 -1.46 115.15 114.06 2jgf h HIS 393 Ca 0.06 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.54 2jgf h HIS 393 Cb 0.53 0.07 -0.07 0.00 -0.00 0.00 0.00 27.41 27.94 2jgf h HIS 393 CO 0.05 -0.11 0.61 -0.07 -0.00 0.00 0.00 177.93 178.42 2jgf h LEU 394 N -0.25 0.88 0.12 0.26 3.38 -1.08 0.51 115.31 119.13 2jgf h LEU 394 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jgf h LEU 394 Cb 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2jgf h LEU 394 CO 0.04 0.50 -0.06 -0.09 0.09 0.00 0.00 178.44 178.92 2jgf h ARG 395 N 0.96 -0.16 0.00 1.13 1.12 -0.83 -1.10 114.38 115.51 2jgf h ARG 395 Ca 0.46 0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 59.28 2jgf h ARG 395 Cb 0.44 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 2jgf h ARG 395 CO -0.22 -0.00 -0.28 -0.44 -3.11 0.00 0.00 179.97 175.92 2jgf h ASP 396 N -0.28 0.00 -0.18 -3.80 3.32 -0.11 -2.26 116.42 113.11 2jgf h ASP 396 Ca -0.02 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 2jgf h ASP 396 Cb 0.23 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.78 2jgf h ASP 396 CO 0.03 0.28 -0.65 0.00 -1.72 0.00 0.00 179.24 177.18 2jgf h ALA 397 N 1.72 0.32 -0.80 3.45 0.00 0.12 0.39 119.26 124.46 2jgf h ALA 397 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.39 2jgf h ALA 397 Cb 0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2jgf h ALA 397 CO 0.04 0.60 0.51 1.98 0.00 0.00 0.00 179.25 182.38 2jgf h MET 398 N 0.47 0.97 -0.23 0.00 1.85 -0.88 0.21 114.93 117.32 2jgf h MET 398 Ca -0.03 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 2jgf h MET 398 Cb 1.27 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 2jgf h MET 398 CO 0.14 0.64 0.09 1.03 -0.40 0.00 0.00 176.91 178.41 2jgf h SER 399 N 1.00 0.31 -0.78 1.39 0.87 -1.12 -2.75 113.55 112.48 2jgf h SER 399 Ca 0.32 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2jgf h SER 399 Cb 0.00 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 2jgf h SER 399 CO -0.11 0.40 0.50 0.00 -0.53 0.00 0.00 176.83 177.09 2jgf h ALA 400 N 0.93 1.01 -0.32 6.23 0.00 -0.02 0.33 119.26 127.42 2jgf h ALA 400 Ca 0.08 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jgf h ALA 400 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2jgf h ALA 400 CO -0.01 0.34 0.16 0.28 0.00 0.00 0.00 179.25 180.02 2jgf h VAL 401 N 1.00 0.98 -0.03 0.00 2.07 -0.54 0.50 116.25 120.24 2jgf h VAL 401 Ca 0.30 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.53 2jgf h VAL 401 Cb -0.04 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2jgf h VAL 401 CO -0.09 0.06 -0.66 0.58 0.02 0.00 0.00 177.57 177.47 2jgf h VAL 402 N 0.33 1.38 -0.17 2.57 2.07 -1.06 -2.04 116.25 119.32 2jgf h VAL 402 Ca 0.13 -2.05 0.04 0.00 0.82 0.00 0.00 66.70 65.64 2jgf h VAL 402 Cb 0.05 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 2jgf h VAL 402 CO -0.09 0.61 -0.08 1.23 0.02 0.00 0.00 177.57 179.25 2jgf h GLY 403 N 0.05 0.07 0.90 2.17 0.00 -0.20 -2.42 103.07 103.63 2jgf h GLY 403 Ca -0.08 0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 2jgf h GLY 403 CO 0.13 -0.10 -0.22 -0.55 0.00 0.00 0.00 176.54 175.80 2jgf h ASP 404 N -0.06 0.62 -0.23 0.19 3.32 0.03 -0.98 116.42 119.31 2jgf h ASP 404 Ca 0.10 -0.46 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 2jgf h ASP 404 Cb 0.20 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2jgf h ASP 404 CO -0.22 0.96 -0.24 -0.74 -1.72 0.00 0.00 179.24 177.29 2jgf h HIS 405 N 0.30 0.79 0.00 4.55 2.76 -1.40 0.47 115.15 122.63 2jgf h HIS 405 Ca 0.04 -0.18 -0.26 0.00 -2.20 0.00 0.00 60.37 57.78 2jgf h HIS 405 Cb 0.77 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.50 2jgf h HIS 405 CO 0.07 0.87 -1.90 0.09 -1.30 0.00 0.00 177.93 175.76 2jgf n ASN 406 N -4.11 0.47 0.09 3.26 3.02 -0.91 -4.55 115.26 112.52 2jgf n ASN 406 Ca -0.00 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2jgf n ASN 406 Cb 0.43 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.82 0.57 -0.16 2.41 0.31 -0.43 -4.72 118.33 113.49 2jgf n VAL 407 Ca -0.19 0.19 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 2jgf n VAL 407 Cb 0.98 -1.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.17 0.04 2.52 2.07 -1.38 0.79 116.25 121.47 2jgf h VAL 408 Ca 0.00 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 66.91 2jgf h VAL 408 Cb 0.00 0.60 0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2jgf h VAL 408 CO 0.00 0.18 -0.74 0.00 0.02 0.00 0.00 177.57 177.03 2jgf h PRO 410 N -0.10 0.13 -0.74 0.00 0.11 -1.70 0.16 132.00 129.86 2jgf h PRO 410 Ca -0.10 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 2jgf h PRO 410 Cb 1.47 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.52 2jgf h PRO 410 CO 0.14 0.09 0.36 0.28 -0.21 0.00 0.00 178.00 178.66 2jgf h VAL 411 N 0.14 1.24 -0.20 3.15 2.07 -0.67 0.91 116.25 122.89 2jgf h VAL 411 Ca 0.44 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2jgf h VAL 411 Cb 0.80 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2jgf h VAL 411 CO -0.66 0.28 0.09 0.00 0.02 0.00 0.00 177.57 177.31 2jgf h ALA 412 N 1.18 0.25 -0.42 1.67 0.00 -0.66 0.27 119.26 121.55 2jgf h ALA 412 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2jgf h ALA 412 Cb 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2jgf h ALA 412 CO -0.03 -0.18 0.15 0.37 0.00 0.00 0.00 179.25 179.55 2jgf h GLN 413 N 0.18 0.30 0.45 0.00 5.75 -0.48 0.10 115.11 121.42 2jgf h GLN 413 Ca 0.07 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 2jgf h GLN 413 Cb 0.12 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.61 2jgf h GLN 413 CO -0.01 0.20 -0.22 1.25 -2.65 0.00 0.00 178.83 177.40 2jgf h LEU 414 N 0.31 -0.52 -0.45 -2.39 5.85 -0.49 -0.52 115.31 117.11 2jgf h LEU 414 Ca 0.19 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2jgf h LEU 414 Cb 0.18 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2jgf h LEU 414 CO -0.20 -0.31 0.14 0.00 -0.34 0.00 0.00 178.44 177.74 2jgf h ALA 415 N -0.16 0.53 0.18 1.25 0.00 -0.28 -0.05 119.26 120.72 2jgf h ALA 415 Ca -0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jgf h ALA 415 Cb 0.51 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2jgf h ALA 415 CO 0.10 -0.25 -0.26 0.78 0.00 0.00 0.00 179.25 179.62 2jgf h GLY 416 N 0.30 -0.53 0.84 0.00 0.00 -0.72 -0.87 103.07 102.10 2jgf h GLY 416 Ca 0.21 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 2jgf h GLY 416 CO -0.23 -0.23 -0.01 3.21 0.00 0.00 0.00 176.54 179.28 2jgf h ARG 417 N -0.51 -0.03 -0.30 4.80 2.47 -0.69 -1.67 114.38 118.45 2jgf h ARG 417 Ca 0.01 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 2jgf h ARG 417 Cb 0.50 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.79 2jgf h ARG 417 CO -0.11 0.14 0.01 -0.07 0.56 0.00 0.00 179.97 180.49 2jgf h LEU 418 N -0.20 -0.10 0.13 3.04 3.38 -1.01 -2.50 115.31 118.07 2jgf h LEU 418 Ca -0.00 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2jgf h LEU 418 Cb 0.18 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2jgf h LEU 418 CO 0.01 -0.01 -0.22 0.00 0.09 0.00 0.00 178.44 178.30 2jgf h ALA 419 N 1.26 -0.38 0.00 1.53 0.00 -1.08 -1.23 119.26 119.35 2jgf h ALA 419 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jgf h ALA 419 Cb 0.19 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jgf h ALA 419 CO -0.23 -0.75 0.21 0.00 0.00 0.00 0.00 179.25 178.47 2jgf n ALA 420 N -2.52 0.73 -1.86 0.00 0.00 -0.63 -2.47 120.51 113.76 2jgf n ALA 420 Ca -0.07 0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.55 2jgf n ALA 420 Cb 0.25 -0.90 0.14 0.00 0.00 0.00 0.00 19.45 18.95 2jgf n ALA 420 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgf n GLN 421 N -1.98 1.05 0.00 0.00 6.02 -0.64 -4.98 117.38 116.85 2jgf n GLN 421 Ca -0.01 -2.82 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 2jgf n GLN 421 Cb 0.23 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 -0.61 0.42 3.82 1.08 0.00 -1.03 -1.65 105.19 107.22 2jgf n GLY 422 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.05 -0.39 4.61 0.00 -0.56 -4.13 121.76 122.34 2jgf s ALA 423 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 2jgf s ALA 423 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2jgf s ALA 423 CO 0.00 0.13 0.67 0.50 0.00 0.00 0.00 175.76 177.07 2jgf s ARG 424 N -3.18 3.56 -0.13 0.00 3.52 0.23 -4.49 118.95 118.46 2jgf s ARG 424 Ca 0.62 -0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 56.18 2jgf s ARG 424 Cb -0.09 -3.86 -0.01 0.00 -1.56 0.00 0.00 34.95 29.43 2jgf s ARG 424 CO 0.13 -0.86 -0.13 0.08 -0.81 0.00 0.00 175.30 173.71 2jgf s VAL 425 N 2.85 3.04 -0.06 7.11 1.01 -1.26 -0.03 120.40 133.05 2jgf s VAL 425 Ca 0.25 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2jgf s VAL 425 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2jgf s VAL 425 CO 0.17 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.38 2jgf s TYR 426 N 0.40 2.82 -0.01 5.22 1.51 0.16 0.10 117.35 127.55 2jgf s TYR 426 Ca -0.10 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2jgf s TYR 426 Cb -0.16 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 2jgf s TYR 426 CO 0.05 0.23 -0.15 0.00 -1.11 0.00 0.00 175.55 174.57 2jgf s ALA 427 N -0.70 1.29 0.07 3.71 0.00 -1.25 -0.82 121.76 124.06 2jgf s ALA 427 Ca 0.11 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2jgf s ALA 427 Cb -0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2jgf s ALA 427 CO 0.01 0.31 -0.06 1.52 0.00 0.00 0.00 175.76 177.54 2jgf s TYR 428 N -0.33 0.75 -0.16 0.00 -0.85 -0.42 -1.09 117.35 115.25 2jgf s TYR 428 Ca 0.05 -0.77 0.01 0.00 -0.52 0.00 0.00 57.07 55.84 2jgf s TYR 428 Cb -0.06 -0.45 0.02 0.00 0.38 0.00 0.00 41.96 41.85 2jgf s TYR 428 CO -0.00 -0.15 -0.17 -1.50 -1.52 0.00 0.00 175.55 172.20 2jgf s ILE 429 N -2.80 1.78 -0.19 -3.49 2.07 -0.00 -2.24 121.20 116.33 2jgf s ILE 429 Ca 0.03 -0.77 -0.19 0.00 -1.41 0.00 0.00 60.65 58.31 2jgf s ILE 429 Cb -0.00 -1.63 -0.03 0.00 0.13 0.00 0.00 42.46 40.92 2jgf s ILE 429 CO -0.03 0.49 0.55 0.12 -1.91 0.00 0.00 174.94 174.16 2jgf s PHE 430 N 1.34 3.39 0.00 3.50 2.19 0.15 -0.78 117.98 127.78 2jgf s PHE 430 Ca 0.04 0.84 0.00 0.00 0.33 0.00 0.00 56.93 58.13 2jgf s PHE 430 Cb -0.13 -2.69 0.00 0.00 -1.31 0.00 0.00 43.02 38.88 2jgf s PHE 430 CO -0.10 -0.09 0.65 0.39 1.83 0.00 0.00 175.22 177.90 2jgf n GLU 431 N 4.71 1.08 -3.19 10.12 1.02 0.90 -1.20 120.64 134.08 2jgf n GLU 431 Ca -0.04 -0.86 -0.39 0.00 -0.02 0.00 0.00 57.16 55.84 2jgf n GLU 431 Cb 0.50 -0.81 -0.06 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.42 3.44 -0.20 -0.32 2.46 -1.21 -4.93 115.29 114.11 2jgf s HIS 432 Ca 0.00 0.92 -0.18 0.00 0.47 0.00 0.00 55.06 56.27 2jgf s HIS 432 Cb 0.00 -2.70 -0.03 0.00 -0.13 0.00 0.00 32.58 29.72 2jgf s HIS 432 CO 0.00 -0.03 0.52 0.50 -2.47 0.00 0.00 174.74 173.26 2jgf s ARG 433 N 1.35 4.20 0.15 2.88 3.52 -1.26 -4.91 118.95 124.88 2jgf s ARG 433 Ca 0.28 0.41 -0.34 0.00 -0.13 0.00 0.00 55.73 55.95 2jgf s ARG 433 Cb -0.16 -3.55 -0.14 0.00 -1.56 0.00 0.00 34.95 29.53 2jgf s ARG 433 CO 0.11 -0.13 1.52 0.00 -0.81 0.00 0.00 175.30 175.99 2jgf n ALA 434 N 4.73 0.94 0.32 6.12 0.00 -1.26 -4.84 120.51 126.51 2jgf n ALA 434 Ca -0.05 0.46 0.20 0.00 0.00 0.00 0.00 53.44 54.04 2jgf n ALA 434 Cb 0.50 -2.30 1.09 0.00 0.00 0.00 0.00 19.45 18.75 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 5.54 0.00 -0.22 0.00 4.64 -1.96 -1.80 113.55 119.76 2jgf h SER 435 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2jgf h SER 435 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jgf h SER 435 CO 0.86 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.17 2jgf n THR 436 N -3.39 0.27 -1.78 2.95 -2.24 -1.26 -4.99 114.28 103.84 2jgf n THR 436 Ca -0.03 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 2jgf n THR 436 Cb 0.08 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.67 4.28 0.00 3.22 2.96 -0.68 -4.92 118.68 121.88 2jgf s LEU 437 Ca 0.35 3.06 0.15 0.00 -0.22 0.00 0.00 54.13 57.46 2jgf s LEU 437 Cb 0.21 -3.71 -0.15 0.00 0.50 0.00 0.00 46.19 43.04 2jgf s LEU 437 CO 0.30 -0.94 0.65 0.35 -1.32 0.00 0.00 176.35 175.40 2jgf n THR 438 N 0.34 0.00 -2.22 3.68 -2.24 -1.26 -4.94 114.28 107.64 2jgf n THR 438 Ca 0.02 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 2jgf n THR 438 Cb 0.39 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.35 3.00 0.99 4.78 0.52 -1.26 -4.89 118.94 119.72 2jgf s TRP 439 Ca 0.06 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.60 2jgf s TRP 439 Cb 0.11 -3.03 0.18 0.00 -1.15 0.00 0.00 33.47 29.59 2jgf s TRP 439 CO 0.59 -1.01 1.09 -1.25 0.02 0.00 0.00 176.95 176.39 2jgf s PRO 440 N -3.79 0.48 0.43 4.98 0.04 -1.26 -4.90 135.00 130.98 2jgf s PRO 440 Ca 0.65 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.94 2jgf s PRO 440 Cb -0.16 -1.69 0.95 0.00 0.04 0.00 0.00 34.50 33.64 2jgf s PRO 440 CO 0.31 -2.87 2.05 -0.07 0.04 0.00 0.00 177.00 176.46 2jgf h LEU 441 N -2.02 0.39 -2.23 -3.56 3.38 -1.94 -2.84 115.31 106.48 2jgf h LEU 441 Ca -0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2jgf h LEU 441 Cb 1.29 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jgf h LEU 441 CO 0.47 0.27 -0.04 4.11 0.09 0.00 0.00 178.44 183.35 2jgf h TRP 442 N 0.45 0.00 0.00 1.13 5.08 -1.92 -1.71 115.95 118.98 2jgf h TRP 442 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.13 2jgf h TRP 442 Cb 0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.25 2jgf h TRP 442 CO -0.00 0.04 -0.08 -1.33 -1.28 0.00 0.00 178.44 175.79 2jgf n MET 443 N -3.30 0.16 0.00 0.12 2.81 -1.07 -4.96 117.12 110.88 2jgf n MET 443 Ca -0.02 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2jgf n MET 443 Cb 0.18 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 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 1.39 3.21 3.14 3.03 0.00 -0.64 -3.60 105.19 111.71 2jgf n GLY 444 Ca 0.06 -0.17 -0.39 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 4.10 0.75 1.61 1.01 -1.26 -4.85 120.40 121.76 2jgf s VAL 445 Ca 0.00 -2.84 -0.11 0.00 0.00 0.00 0.00 61.98 59.03 2jgf s VAL 445 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2jgf s VAL 445 CO 0.00 -0.91 1.08 -2.84 0.00 0.00 0.00 175.10 172.43 2jgf s PRO 446 N 0.01 2.45 -0.16 2.72 0.02 -1.24 -1.15 135.00 137.64 2jgf s PRO 446 Ca 0.17 1.06 -0.41 0.00 0.02 0.00 0.00 61.00 61.83 2jgf s PRO 446 Cb -0.18 -1.93 -0.19 0.00 0.02 0.00 0.00 34.50 32.22 2jgf s PRO 446 CO -0.04 -1.48 1.38 1.58 -0.33 0.00 0.00 177.00 178.11 2jgf n HIS 447 N -3.40 1.35 0.00 6.54 -0.00 -1.18 -2.15 115.22 116.38 2jgf n HIS 447 Ca 0.08 0.92 0.00 0.00 -0.00 0.00 0.00 57.72 58.72 2jgf n HIS 447 Cb 0.53 -2.24 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 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 2.81 0.93 0.99 1.57 0.00 -1.26 -4.94 105.19 105.29 2jgf n GLY 448 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.00 0.78 0.08 1.61 4.02 -0.91 -2.73 117.16 118.00 2jgf n TYR 449 Ca 0.00 -0.35 0.08 0.00 -0.01 0.00 0.00 57.90 57.62 2jgf n TYR 449 Cb 0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 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 0.82 0.61 0.01 -0.72 0.00 -1.26 -4.59 120.64 115.51 2jgf n GLU 450 Ca 0.17 0.15 -0.09 0.00 0.00 0.00 0.00 57.16 57.38 2jgf n GLU 450 Cb 0.49 -1.82 -0.03 0.00 0.00 0.00 0.00 31.44 30.08 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 0.62 -0.67 3.84 2.04 -1.89 -0.40 117.51 121.04 2jgf h ILE 451 Ca -0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.01 2jgf h ILE 451 Cb 1.17 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 2jgf h ILE 451 CO 0.01 0.00 0.56 1.05 0.00 0.00 0.00 178.15 179.77 2jgf h GLU 452 N -0.18 0.00 0.00 2.37 4.11 -1.80 -1.16 114.58 117.93 2jgf h GLU 452 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 2jgf h GLU 452 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jgf h GLU 452 CO -0.22 0.00 -0.00 0.74 0.07 0.00 0.00 179.01 179.60 2jgf h PHE 453 N 0.00 -0.00 -0.82 2.06 0.04 -1.36 0.55 116.94 117.40 2jgf h PHE 453 Ca 0.32 -0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.24 2jgf h PHE 453 Cb 1.43 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.49 2jgf h PHE 453 CO 0.00 0.88 0.40 0.82 -0.60 0.00 0.00 178.31 179.81 2jgf h ILE 454 N -0.94 0.71 -0.00 -0.55 1.08 -0.95 -0.80 117.51 116.06 2jgf h ILE 454 Ca -0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2jgf h ILE 454 Cb 0.89 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2jgf h ILE 454 CO 0.00 0.10 -0.00 0.49 -0.69 0.00 0.00 178.15 178.05 2jgf n PHE 455 N -4.91 0.00 -1.95 1.37 3.01 -0.49 -4.34 117.46 110.15 2jgf n PHE 455 Ca 0.16 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.59 2jgf n PHE 455 Cb 0.43 -0.41 -0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2jgf n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgf n GLY 456 N 1.41 0.28 0.32 1.37 0.00 -0.30 -4.19 105.19 104.08 2jgf n GLY 456 Ca 0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 0.89 -1.13 0.99 3.38 -1.13 -1.85 115.31 116.46 2jgf h LEU 457 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jgf h LEU 457 Cb 0.96 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2jgf h LEU 457 CO 0.09 0.61 0.59 -0.65 0.09 0.00 0.00 178.44 179.17 2jgf h PRO 458 N 1.04 0.00 0.00 1.13 0.11 -1.89 0.47 132.00 132.86 2jgf h PRO 458 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2jgf h PRO 458 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2jgf h PRO 458 CO -0.13 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.94 2jgf n LEU 459 N -2.65 0.35 -4.50 2.35 4.77 -0.70 -4.47 117.00 112.16 2jgf n LEU 459 Ca -0.01 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.13 2jgf n LEU 459 Cb 0.61 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2jgf n LEU 459 CO 0.08 -0.44 0.58 -0.62 -1.33 0.00 0.00 177.39 175.65 2jgf s ASP 460 N -3.66 6.31 0.55 -1.43 -1.08 0.16 -4.79 116.67 112.74 2jgf s ASP 460 Ca 0.05 -0.51 0.28 0.00 -0.52 0.00 0.00 52.55 51.85 2jgf s ASP 460 Cb 0.09 -2.38 1.61 0.00 -1.46 0.00 0.00 42.92 40.78 2jgf s ASP 460 CO 0.31 -1.07 2.16 1.55 0.52 0.00 0.00 175.17 178.64 2jgf h PRO 461 N 9.16 0.00 0.00 4.34 0.13 -1.86 0.14 132.00 143.90 2jgf h PRO 461 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2jgf h PRO 461 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jgf h PRO 461 CO 1.03 0.07 0.00 -1.13 -0.23 0.00 0.00 178.00 177.73 2jgf n SER 462 N -3.76 0.36 -0.34 1.44 3.41 -1.26 -2.90 113.62 110.58 2jgf n SER 462 Ca -0.02 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 2jgf n SER 462 Cb 0.17 -0.69 0.45 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.94 1.20 -0.65 1.04 4.77 0.47 -4.97 117.00 116.92 2jgf n LEU 463 Ca 0.01 -0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.55 2jgf n LEU 463 Cb 0.11 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2jgf n LEU 463 CO 0.11 0.21 -0.08 0.59 -1.33 0.00 0.00 177.39 176.90 2jgf n ASN 464 N -0.31 -4.24 -4.77 -1.43 3.02 -1.14 -5.01 115.26 101.38 2jgf n ASN 464 Ca 0.15 0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.54 2jgf n ASN 464 Cb 0.35 -2.48 -0.01 0.00 -0.61 0.00 0.00 39.78 37.02 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 -2.24 2.87 0.78 3.10 2.02 -1.26 -4.88 117.35 117.74 2jgf s TYR 465 Ca 0.00 1.54 -0.12 0.00 -0.37 0.00 0.00 57.07 58.12 2jgf s TYR 465 Cb 0.00 -3.37 0.07 0.00 -0.40 0.00 0.00 41.96 38.26 2jgf s TYR 465 CO 0.00 -1.49 1.14 0.95 -1.57 0.00 0.00 175.55 174.58 2jgf s THR 466 N -1.56 2.69 0.31 -0.71 -4.23 -1.26 -4.84 115.64 106.04 2jgf s THR 466 Ca 0.64 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 61.45 2jgf s THR 466 Cb -0.28 -2.65 0.29 0.00 1.34 0.00 0.00 72.50 71.21 2jgf s THR 466 CO 0.34 -0.25 1.87 0.74 -0.54 0.00 0.00 174.62 176.78 2jgf h THR 467 N -0.94 0.95 -0.26 3.99 2.02 -1.96 -0.85 112.91 115.86 2jgf h THR 467 Ca -0.45 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 2jgf h THR 467 Cb 1.26 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2jgf h THR 467 CO 0.49 0.17 -0.19 -0.33 0.37 0.00 0.00 175.52 176.02 2jgf h GLU 468 N 0.92 0.47 -0.24 6.66 3.07 -1.99 -1.18 114.58 122.30 2jgf h GLU 468 Ca 0.44 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 59.03 2jgf h GLU 468 Cb 0.45 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2jgf h GLU 468 CO -0.20 0.65 -0.36 0.93 -1.40 0.00 0.00 179.01 178.63 2jgf h GLU 469 N 0.43 0.52 -0.19 2.33 5.08 -1.65 0.25 114.58 121.36 2jgf h GLU 469 Ca 0.07 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2jgf h GLU 469 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2jgf h GLU 469 CO 0.04 0.81 0.10 -0.09 -1.00 0.00 0.00 179.01 178.87 2jgf h ARG 470 N 0.44 0.26 -0.71 2.33 2.43 -0.54 0.17 114.38 118.76 2jgf h ARG 470 Ca 0.05 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2jgf h ARG 470 Cb 0.83 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2jgf h ARG 470 CO 0.07 0.25 0.19 0.82 -1.51 0.00 0.00 179.97 179.79 2jgf h ILE 471 N 0.20 1.26 -0.35 1.20 2.04 -1.02 -2.41 117.51 118.43 2jgf h ILE 471 Ca 0.07 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2jgf h ILE 471 Cb 0.06 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2jgf h ILE 471 CO -0.01 0.37 0.19 0.15 0.00 0.00 0.00 178.15 178.84 2jgf h PHE 472 N 1.07 0.49 -0.34 1.37 3.57 -0.37 -1.65 116.94 121.07 2jgf h PHE 472 Ca 0.23 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2jgf h PHE 472 Cb 0.35 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2jgf h PHE 472 CO 0.03 0.39 0.22 0.00 -2.23 0.00 0.00 178.31 176.71 2jgf h ALA 473 N 1.05 0.43 -0.63 2.41 0.00 -0.45 -1.52 119.26 120.55 2jgf h ALA 473 Ca 0.12 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jgf h ALA 473 Cb 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2jgf h ALA 473 CO -0.02 -0.09 0.29 1.96 0.00 0.00 0.00 179.25 181.39 2jgf h GLN 474 N 0.45 0.50 -0.19 0.00 4.20 -1.33 0.68 115.11 119.42 2jgf h GLN 474 Ca 0.12 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.85 2jgf h GLN 474 Cb -0.03 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 2jgf h GLN 474 CO -0.03 0.33 -0.12 0.00 -0.67 0.00 0.00 178.83 178.35 2jgf h ARG 475 N 0.52 -0.10 -0.41 1.46 3.08 -0.77 -0.78 114.38 117.37 2jgf h ARG 475 Ca 0.30 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2jgf h ARG 475 Cb 0.31 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2jgf h ARG 475 CO -0.25 -0.07 0.23 -0.07 -1.07 0.00 0.00 179.97 178.74 2jgf h LEU 476 N -0.11 0.51 -1.30 3.04 3.38 -0.45 -0.18 115.31 120.20 2jgf h LEU 476 Ca 0.11 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2jgf h LEU 476 Cb 0.27 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2jgf h LEU 476 CO -0.26 0.44 0.51 0.24 0.09 0.00 0.00 178.44 179.46 2jgf h MET 477 N 0.54 0.83 -0.07 1.13 2.86 -0.68 -0.79 114.93 118.74 2jgf h MET 477 Ca 0.15 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2jgf h MET 477 Cb 0.04 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2jgf h MET 477 CO -0.02 0.55 0.00 0.87 1.06 0.00 0.00 176.91 179.37 2jgf h LYS 478 N 0.85 0.12 -0.14 1.72 1.79 -0.48 -1.28 116.57 119.14 2jgf h LYS 478 Ca 0.33 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.81 2jgf h LYS 478 Cb 0.22 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.81 2jgf h LYS 478 CO -0.11 0.37 -0.15 1.88 -1.08 0.00 0.00 179.45 180.36 2jgf h TYR 479 N -0.15 -0.37 -0.10 -1.35 0.05 -0.32 -0.02 116.97 114.71 2jgf h TYR 479 Ca 0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2jgf h TYR 479 Cb 0.31 0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 2jgf h TYR 479 CO 0.03 -0.22 0.04 -1.49 -1.05 0.00 0.00 178.16 175.47 2jgf h TRP 480 N -0.17 0.14 0.00 4.88 -0.00 -1.17 -0.84 115.95 118.78 2jgf h TRP 480 Ca 0.10 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.89 58.87 2jgf h TRP 480 Cb 0.32 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.42 2jgf h TRP 480 CO -0.27 0.21 -0.54 1.79 -0.00 0.00 0.00 178.44 179.63 2jgf h THR 481 N 0.02 1.11 -0.31 1.49 1.35 -1.17 0.10 112.91 115.51 2jgf h THR 481 Ca 0.03 -2.07 -0.03 0.00 -0.55 0.00 0.00 66.41 63.79 2jgf h THR 481 Cb 0.13 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 2jgf h THR 481 CO -0.00 0.53 0.07 0.78 -0.25 0.00 0.00 175.52 176.65 2jgf h ASN 482 N 0.00 0.47 -0.48 5.36 2.35 -0.89 0.20 115.58 122.59 2jgf h ASN 482 Ca -0.01 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 2jgf h ASN 482 Cb 1.17 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 2jgf h ASN 482 CO 0.07 0.58 0.29 0.15 -1.65 0.00 0.00 177.43 176.88 2jgf h PHE 483 N 0.33 0.55 -0.39 1.19 3.57 -0.72 0.34 116.94 121.82 2jgf h PHE 483 Ca 0.10 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2jgf h PHE 483 Cb 0.30 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2jgf h PHE 483 CO 0.01 0.33 0.11 0.00 -2.23 0.00 0.00 178.31 176.54 2jgf h ALA 484 N 1.20 0.44 -0.60 2.41 0.00 -0.65 0.84 119.26 122.90 2jgf h ALA 484 Ca 0.19 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2jgf h ALA 484 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jgf h ALA 484 CO -0.07 -0.28 0.06 0.00 0.00 0.00 0.00 179.25 178.95 2jgf h ARG 485 N 0.26 1.02 0.00 0.00 3.08 0.50 -3.40 114.38 115.85 2jgf h ARG 485 Ca 0.18 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2jgf h ARG 485 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2jgf h ARG 485 CO -0.20 0.98 -0.39 0.25 -1.07 0.00 0.00 179.97 179.54 2jgf n THR 486 N -4.25 0.00 -0.65 2.04 -2.24 0.11 -4.98 114.28 104.30 2jgf n THR 486 Ca 0.03 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jgf n THR 486 Cb 0.31 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.20 0.72 2.73 3.38 0.00 0.28 -5.03 105.19 108.48 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 -2.32 1.32 0.06 1.61 -1.08 -1.26 -4.91 116.67 110.11 2jgf s ASP 488 Ca 0.00 -0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.22 2jgf s ASP 488 Cb 0.00 -0.30 0.85 0.00 -1.46 0.00 0.00 42.92 42.01 2jgf s ASP 488 CO 0.00 -0.21 1.65 -0.81 0.52 0.00 0.00 175.17 176.32 2jgf n PRO 489 N 5.13 0.06 -2.53 4.34 -0.04 -1.26 -2.77 135.00 137.93 2jgf n PRO 489 Ca -0.07 0.22 -0.36 0.00 -0.04 0.00 0.00 63.50 63.25 2jgf n PRO 489 Cb 0.50 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 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 -3.36 6.60 -0.36 3.54 0.01 -1.26 -4.35 114.94 115.76 2jgf s ASN 490 Ca 0.09 2.02 -0.26 0.00 -0.71 0.00 0.00 52.86 54.00 2jgf s ASN 490 Cb 0.12 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.22 2jgf s ASN 490 CO 0.38 -0.60 0.93 -0.62 -1.51 0.00 0.00 177.10 175.68 2jgf s ASP 491 N -1.68 6.70 0.32 -1.22 -1.08 -1.26 -4.92 116.67 113.54 2jgf s ASP 491 Ca 0.61 0.63 0.25 0.00 -0.52 0.00 0.00 52.55 53.52 2jgf s ASP 491 Cb -0.21 -2.47 1.15 0.00 -1.46 0.00 0.00 42.92 39.94 2jgf s ASP 491 CO 0.26 -0.84 1.75 -0.65 0.52 0.00 0.00 175.17 176.21 2jgf h PRO 492 N 8.41 0.00 0.00 4.34 0.11 -1.95 -3.19 132.00 139.73 2jgf h PRO 492 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2jgf h PRO 492 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jgf h PRO 492 CO 0.98 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.31 2jgf n ARG 493 N -2.36 0.00 -1.32 1.05 1.74 -1.26 -4.81 116.66 109.70 2jgf n ARG 493 Ca 0.01 0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 57.10 2jgf n ARG 493 Cb 0.16 -0.50 -0.09 0.00 -1.02 0.00 0.00 32.46 31.01 2jgf n ARG 493 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jgf n ASP 494 N -1.28 -0.62 0.03 0.55 -0.08 -1.20 -4.70 116.55 109.25 2jgf n ASP 494 Ca 0.00 -1.47 0.12 0.00 -1.51 0.00 0.00 54.79 51.93 2jgf n ASP 494 Cb 0.00 -0.99 0.20 0.00 2.34 0.00 0.00 41.12 42.68 2jgf n ASP 494 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jgf n SER 495 N 10.19 0.59 0.32 1.67 3.41 -1.26 -3.91 113.62 124.62 2jgf n SER 495 Ca 0.31 -0.05 -0.18 0.00 -0.26 0.00 0.00 58.87 58.69 2jgf n SER 495 Cb 0.40 0.24 -0.09 0.00 -0.26 0.00 0.00 64.21 64.50 2jgf n SER 495 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jgf h LYS 496 N 0.00 -0.96 -6.41 4.33 1.57 -1.96 -3.44 116.57 109.70 2jgf h LYS 496 Ca 0.00 0.07 -0.62 0.00 -1.87 0.00 0.00 60.65 58.23 2jgf h LYS 496 Cb 0.64 0.22 0.10 0.00 0.08 0.00 0.00 32.23 33.27 2jgf h LYS 496 CO 0.00 -0.64 0.13 0.43 -0.57 0.00 0.00 179.45 178.80 2jgf n SER 497 N -5.55 1.17 -4.77 0.86 7.64 -1.25 -4.89 113.62 106.82 2jgf n SER 497 Ca -0.12 1.17 -0.40 0.00 1.01 0.00 0.00 58.87 60.52 2jgf n SER 497 Cb 0.45 -1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 2jgf n SER 497 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2jgf s PRO 498 N -1.23 4.23 0.43 1.43 0.02 -1.26 -4.97 135.00 133.64 2jgf s PRO 498 Ca 0.62 2.22 -0.22 0.00 0.02 0.00 0.00 61.00 63.64 2jgf s PRO 498 Cb -0.75 -2.97 -0.10 0.00 0.02 0.00 0.00 34.50 30.70 2jgf s PRO 498 CO 0.58 -0.29 0.98 -0.65 -0.33 0.00 0.00 177.00 177.28 2jgf s GLN 499 N -1.94 4.16 -0.49 5.54 -1.52 -1.26 -4.87 119.66 119.28 2jgf s GLN 499 Ca 0.51 1.23 -0.17 0.00 -1.95 0.00 0.00 55.36 54.98 2jgf s GLN 499 Cb -0.40 -2.26 0.06 0.00 -0.22 0.00 0.00 33.01 30.20 2jgf s GLN 499 CO 0.52 -0.10 0.51 -0.46 -0.25 0.00 0.00 175.29 175.51 2jgf s TRP 500 N -2.03 3.14 0.42 0.91 -0.11 -1.26 -4.94 118.94 115.08 2jgf s TRP 500 Ca 0.62 -0.71 -0.23 0.00 1.22 0.00 0.00 56.10 57.00 2jgf s TRP 500 Cb -0.13 -3.34 -0.09 0.00 -1.50 0.00 0.00 33.47 28.41 2jgf s TRP 500 CO 0.17 -0.91 1.03 -1.25 -4.62 0.00 0.00 176.95 171.37 2jgf s PRO 501 N 2.15 4.11 0.87 5.86 0.04 -1.26 -4.87 135.00 141.90 2jgf s PRO 501 Ca 0.10 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 2jgf s PRO 501 Cb -0.21 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2jgf s PRO 501 CO 0.10 -0.18 0.62 -2.30 0.04 0.00 0.00 177.00 175.28 2jgf n PRO 502 N -0.30 -0.10 -3.18 0.56 -0.02 -1.26 -4.67 135.00 126.03 2jgf n PRO 502 Ca 0.06 0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 2jgf n PRO 502 Cb 0.51 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.26 3.56 0.14 6.00 6.14 0.28 -4.45 117.35 126.76 2jgf s TYR 503 Ca 0.62 1.09 0.06 0.00 0.64 0.00 0.00 57.07 59.48 2jgf s TYR 503 Cb -0.26 -2.68 -0.04 0.00 0.42 0.00 0.00 41.96 39.41 2jgf s TYR 503 CO 0.62 0.15 -0.14 0.95 0.64 0.00 0.00 175.55 177.77 2jgf s THR 504 N 0.63 1.39 0.28 4.34 -4.23 -1.26 -4.46 115.64 112.33 2jgf s THR 504 Ca 0.32 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2jgf s THR 504 Cb -0.17 -1.68 0.10 0.00 1.34 0.00 0.00 72.50 72.09 2jgf s THR 504 CO 0.15 -0.49 1.76 0.71 -0.54 0.00 0.00 174.62 176.20 2jgf h THR 505 N 3.24 1.24 0.50 3.99 1.35 -1.91 0.45 112.91 121.78 2jgf h THR 505 Ca -0.39 -1.10 -0.02 0.00 -0.55 0.00 0.00 66.41 64.35 2jgf h THR 505 Cb 1.20 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2jgf h THR 505 CO 0.54 0.36 -0.24 0.00 -0.25 0.00 0.00 175.52 175.94 2jgf h ALA 506 N 1.32 -0.67 0.00 6.62 0.00 -2.01 -3.37 119.26 121.16 2jgf h ALA 506 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jgf h ALA 506 Cb 0.54 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2jgf h ALA 506 CO 0.03 -0.84 -0.88 0.00 0.00 0.00 0.00 179.25 177.56 2jgf n ALA 507 N -2.42 3.41 -4.28 0.00 0.00 -1.20 -5.01 120.51 111.00 2jgf n ALA 507 Ca -0.12 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 2jgf n ALA 507 Cb 0.29 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 2jgf n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgf n GLN 508 N -1.48 -1.92 -2.83 0.00 6.02 0.16 -4.40 117.38 112.91 2jgf n GLN 508 Ca 0.01 0.24 -0.40 0.00 -0.01 0.00 0.00 57.00 56.84 2jgf n GLN 508 Cb 0.24 -4.44 -0.06 0.00 1.02 0.00 0.00 30.24 27.00 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 -7.07 4.75 0.21 -1.09 -0.21 -1.26 -0.18 119.66 114.81 2jgf s GLN 509 Ca 0.40 1.36 -0.09 0.00 0.02 0.00 0.00 55.36 57.05 2jgf s GLN 509 Cb -0.22 -3.28 -0.01 0.00 1.00 0.00 0.00 33.01 30.49 2jgf s GLN 509 CO 0.97 0.52 0.34 1.52 -2.12 0.00 0.00 175.29 176.51 2jgf s TYR 510 N -1.10 0.54 0.11 0.91 1.13 -0.47 -3.84 117.35 114.64 2jgf s TYR 510 Ca 0.39 -0.88 0.10 0.00 -1.41 0.00 0.00 57.07 55.28 2jgf s TYR 510 Cb -0.25 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 2jgf s TYR 510 CO 0.30 -0.82 -0.26 0.14 -2.51 0.00 0.00 175.55 172.40 2jgf s VAL 511 N -4.03 2.15 0.16 -3.49 -7.23 -0.25 -0.69 120.40 107.02 2jgf s VAL 511 Ca 0.24 -1.67 -0.27 0.00 -1.81 0.00 0.00 61.98 58.47 2jgf s VAL 511 Cb 0.02 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.99 2jgf s VAL 511 CO 0.06 0.10 0.85 -0.94 -0.31 0.00 0.00 175.10 174.87 2jgf s SER 512 N -1.92 7.45 -0.25 4.85 1.04 -0.53 -0.82 113.70 123.51 2jgf s SER 512 Ca 0.12 1.72 -0.01 0.00 0.48 0.00 0.00 55.95 58.27 2jgf s SER 512 Cb -0.10 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.51 2jgf s SER 512 CO 0.05 0.11 -0.07 -0.76 0.98 0.00 0.00 173.24 173.55 2jgf s LEU 513 N -0.75 3.27 0.00 2.42 1.43 0.04 -4.07 118.68 121.02 2jgf s LEU 513 Ca 0.40 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2jgf s LEU 513 Cb -0.24 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2jgf s LEU 513 CO 0.28 -0.15 0.00 -0.46 0.23 0.00 0.00 176.35 176.25 2jgf n ASN 514 N 4.62 0.00 0.17 2.29 0.23 -1.26 -0.07 115.26 121.24 2jgf n ASN 514 Ca -0.16 -0.77 0.02 0.00 -0.53 0.00 0.00 54.58 53.14 2jgf n ASN 514 Cb 0.46 0.00 0.30 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 0.00-10.21 -4.53 3.38 -1.95 -3.44 115.31 98.56 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 0.10 0.00 0.09 0.00 0.00 40.66 40.85 2jgf h LEU 515 CO 0.00 0.46 0.37 -0.54 0.09 0.00 0.00 178.44 178.82 2jgf s LYS 516 N -3.92 2.75 0.91 1.13 1.02 -1.26 -5.00 119.74 115.38 2jgf s LYS 516 Ca -0.02 1.37 -0.12 0.00 0.02 0.00 0.00 55.97 57.22 2jgf s LYS 516 Cb 0.13 -1.95 0.08 0.00 -0.52 0.00 0.00 37.83 35.58 2jgf s LYS 516 CO 0.73 -1.29 0.80 -2.30 -0.92 0.00 0.00 175.35 172.38 2jgf n PRO 517 N -2.53 -0.28 -1.56 -1.68 -0.02 -1.26 -4.85 135.00 122.81 2jgf n PRO 517 Ca 0.10 -0.03 -0.54 0.00 -2.02 0.00 0.00 63.50 61.02 2jgf n PRO 517 Cb 0.52 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 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 -2.67 1.16 -4.43 2.45 4.77 -1.26 -4.94 117.00 112.08 2jgf n LEU 518 Ca 0.10 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 56.89 2jgf n LEU 518 Cb 0.52 -1.11 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 2jgf n LEU 518 CO 0.50 -1.30 -0.49 -0.70 -1.33 0.00 0.00 177.39 174.07 2jgf s GLU 519 N 0.34 2.33 -0.20 3.23 2.12 -1.26 -4.82 118.70 120.45 2jgf s GLU 519 Ca 0.86 -0.80 -0.10 0.00 0.36 0.00 0.00 54.97 55.29 2jgf s GLU 519 Cb -1.05 -2.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 2jgf s GLU 519 CO 0.50 0.59 0.15 0.08 -0.54 0.00 0.00 175.26 176.04 2jgf s VAL 520 N -0.73 5.40 0.22 3.70 1.01 -1.26 -1.46 120.40 127.28 2jgf s VAL 520 Ca 0.12 0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.41 2jgf s VAL 520 Cb -0.10 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2jgf s VAL 520 CO 0.01 0.43 -0.18 -0.13 0.00 0.00 0.00 175.10 175.23 2jgf s ARG 521 N 0.38 1.46 -0.05 2.72 0.52 0.13 -4.98 118.95 119.13 2jgf s ARG 521 Ca 0.09 -1.62 0.06 0.00 -0.52 0.00 0.00 55.73 53.74 2jgf s ARG 521 Cb -0.11 -1.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.91 2jgf s ARG 521 CO -0.01 0.26 -0.22 1.03 0.02 0.00 0.00 175.30 176.38 2jgf s ARG 522 N -3.39 2.50 0.02 3.54 0.52 -1.26 -1.37 118.95 119.51 2jgf s ARG 522 Ca 0.24 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 2jgf s ARG 522 Cb -0.04 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.22 2jgf s ARG 522 CO 0.10 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.29 2jgf n GLY 523 N 2.73 -3.80 3.39 -3.53 0.00 0.75 -4.93 105.19 99.80 2jgf n GLY 523 Ca -0.17 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.07 5.49 -1.14 0.99 2.96 -1.26 -4.35 118.68 121.30 2jgf s LEU 524 Ca 0.00 -1.75 -0.18 0.00 -0.22 0.00 0.00 54.13 51.98 2jgf s LEU 524 Cb 0.00 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.40 2jgf s LEU 524 CO 0.00 -1.04 0.35 0.54 -1.32 0.00 0.00 176.35 174.88 2jgf n ARG 525 N 6.07 -0.57 -0.02 1.98 5.12 -1.26 -4.71 116.66 123.26 2jgf n ARG 525 Ca 0.02 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.85 2jgf n ARG 525 Cb 0.45 -2.34 -0.04 0.00 -1.16 0.00 0.00 32.46 29.38 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 1.55 0.12 0.59 7.54 0.00 -1.93 0.31 119.26 127.45 2jgf h ALA 526 Ca -0.59 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2jgf h ALA 526 Cb 1.18 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jgf h ALA 526 CO 0.50 -0.46 -0.28 1.96 0.00 0.00 0.00 179.25 180.96 2jgf h GLN 527 N 0.02 -0.77 -0.69 0.00 1.08 -1.97 -1.89 115.11 110.89 2jgf h GLN 527 Ca 0.08 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2jgf h GLN 527 Cb 0.11 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 2jgf h GLN 527 CO -0.15 -0.46 0.44 1.15 -0.95 0.00 0.00 178.83 178.86 2jgf h THR 528 N -0.94 1.12 0.00 -0.54 2.02 -1.92 -2.05 112.91 110.61 2jgf h THR 528 Ca -0.08 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 2jgf h THR 528 Cb 0.65 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2jgf h THR 528 CO 0.13 0.16 -0.07 0.00 0.37 0.00 0.00 175.52 176.11 2jgf h ALA 530 N 1.93 1.47 -0.06 0.00 0.00 -0.60 0.27 119.26 122.26 2jgf h ALA 530 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jgf h ALA 530 Cb 0.62 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jgf h ALA 530 CO 0.01 0.39 0.01 0.35 0.00 0.00 0.00 179.25 180.01 2jgf h PHE 531 N 0.07 0.11 -0.13 0.00 3.57 -0.98 -1.18 116.94 118.40 2jgf h PHE 531 Ca 0.01 -0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.27 2jgf h PHE 531 Cb 0.53 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.25 2jgf h PHE 531 CO 0.00 0.32 -0.79 -1.49 -2.23 0.00 0.00 178.31 174.12 2jgf h TRP 532 N -0.14 1.04 0.08 0.41 4.06 -1.20 0.79 115.95 121.00 2jgf h TRP 532 Ca 0.02 -0.48 -0.33 0.00 2.06 0.00 0.00 58.89 60.17 2jgf h TRP 532 Cb 0.27 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.25 2jgf h TRP 532 CO 0.01 1.31 -1.80 -0.91 -3.56 0.00 0.00 178.44 173.50 2jgf h ASN 533 N 0.48 0.26 0.00 -3.49 2.35 -0.57 -3.37 115.58 111.24 2jgf h ASN 533 Ca -0.06 -0.52 -0.35 0.00 -0.55 0.00 0.00 56.30 54.81 2jgf h ASN 533 Cb 1.43 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.66 2jgf h ASN 533 CO 0.16 1.46 -2.25 0.54 -1.65 0.00 0.00 177.43 175.70 2jgf n ARG 534 N -3.32 0.51 -0.07 0.81 1.74 -0.55 -4.72 116.66 111.06 2jgf n ARG 534 Ca -0.23 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 2jgf n ARG 534 Cb 1.05 -1.37 -0.09 0.00 -1.02 0.00 0.00 32.46 31.03 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 -0.42 0.00 -0.74 -1.55 3.57 -1.08 -3.37 116.94 113.35 2jgf h PHE 535 Ca -0.53 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.04 2jgf h PHE 535 Cb 1.62 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.30 2jgf h PHE 535 CO -0.03 0.73 0.41 1.25 -2.23 0.00 0.00 178.31 178.45 2jgf h LEU 536 N -1.00 0.61 -0.17 0.59 5.85 -1.01 -1.21 115.31 118.97 2jgf h LEU 536 Ca -0.05 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2jgf h LEU 536 Cb 0.74 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2jgf h LEU 536 CO -0.03 0.37 -0.19 -0.65 -0.34 0.00 0.00 178.44 177.60 2jgf h PRO 537 N 0.74 -0.21 -0.71 5.25 0.11 -1.77 -0.63 132.00 134.77 2jgf h PRO 537 Ca 0.34 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.56 2jgf h PRO 537 Cb 0.26 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.34 2jgf h PRO 537 CO -0.21 -0.14 0.34 0.87 -0.21 0.00 0.00 178.00 178.65 2jgf h LYS 538 N -0.22 0.56 0.15 1.05 1.57 -1.42 -1.39 116.57 116.87 2jgf h LYS 538 Ca 0.11 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2jgf h LYS 538 Cb 0.39 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2jgf h LYS 538 CO -0.30 0.37 -0.43 1.25 -0.57 0.00 0.00 179.45 179.77 2jgf h LEU 539 N 0.58 -1.27 -0.86 2.94 5.85 -0.92 -1.66 115.31 119.97 2jgf h LEU 539 Ca 0.35 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.20 2jgf h LEU 539 Cb 0.39 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2jgf h LEU 539 CO -0.28 -0.47 0.00 0.18 -0.34 0.00 0.00 178.44 177.53 2jgf n LEU 540 N -4.89 0.13 -3.11 2.25 4.77 -0.28 -1.90 117.00 113.97 2jgf n LEU 540 Ca -0.07 -0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.50 2jgf n LEU 540 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2jgf n LEU 540 CO 0.14 0.03 0.88 -1.20 -1.33 0.00 0.00 177.39 175.91 2jgf n SER 541 N 0.29 6.12 0.00 -1.43 7.64 -0.62 -5.03 113.62 120.59 2jgf n SER 541 Ca 0.00 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.16 2jgf n SER 541 Cb 0.03 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2jgf n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03