#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abe n LEU 3 N 0.00 3.06 -4.33 0.00 7.94 -1.26 -4.89 117.00 117.53 1abe n LEU 3 Ca 0.00 1.12 -0.33 0.00 -1.11 0.00 0.00 56.01 55.69 1abe n LEU 3 Cb 0.00 -1.42 -0.15 0.00 0.53 0.00 0.00 43.42 42.38 1abe n LEU 3 CO 0.00 -0.42 -0.48 -0.54 -1.11 0.00 0.00 177.39 174.84 1abe s LYS 4 N 0.15 3.27 0.04 1.96 1.02 -1.26 -1.87 119.74 123.04 1abe s LYS 4 Ca 0.73 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 56.03 1abe s LYS 4 Cb -0.67 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 1abe s LYS 4 CO 0.45 0.21 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.43 1abe s LEU 5 N 0.32 2.16 0.30 3.17 1.43 -0.05 -1.86 118.68 124.14 1abe s LEU 5 Ca -0.13 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1abe s LEU 5 Cb -0.16 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1abe s LEU 5 CO 0.07 0.06 0.49 -0.83 0.23 0.00 0.00 176.35 176.37 1abe s GLY 6 N -1.08 1.47 -0.28 -3.19 0.00 -0.24 -0.86 107.32 103.15 1abe s GLY 6 Ca 0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1abe s GLY 6 CO 0.01 -0.85 0.11 -0.12 0.00 0.00 0.00 173.10 172.26 1abe s PHE 7 N -2.15 0.65 -0.22 1.90 2.19 0.43 -0.94 117.98 119.84 1abe s PHE 7 Ca 0.39 -1.02 -0.08 0.00 0.33 0.00 0.00 56.93 56.55 1abe s PHE 7 Cb -0.10 -1.07 -0.04 0.00 -1.31 0.00 0.00 43.02 40.50 1abe s PHE 7 CO 0.33 -0.80 0.09 -0.51 1.83 0.00 0.00 175.22 176.16 1abe s LEU 8 N 1.99 3.81 0.01 6.12 1.02 0.65 -2.28 118.68 129.99 1abe s LEU 8 Ca 0.08 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.30 1abe s LEU 8 Cb -0.16 -1.99 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 1abe s LEU 8 CO -0.31 0.09 -0.17 0.68 0.02 0.00 0.00 176.35 176.67 1abe s VAL 9 N 0.88 1.32 0.30 -1.59 -7.23 -0.80 -0.98 120.40 112.30 1abe s VAL 9 Ca 0.05 -0.84 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 1abe s VAL 9 Cb -0.13 -1.12 0.05 0.00 0.56 0.00 0.00 36.38 35.74 1abe s VAL 9 CO 0.03 0.27 1.73 0.07 -0.31 0.00 0.00 175.10 176.88 1abe h LYS 10 N 5.43 0.26 -2.74 4.82 2.10 -1.51 0.16 116.57 125.09 1abe h LYS 10 Ca -0.37 -0.11 -0.61 0.00 -2.00 0.00 0.00 60.65 57.56 1abe h LYS 10 Cb 1.16 -0.01 -0.40 0.00 -0.90 0.00 0.00 32.23 32.08 1abe h LYS 10 CO 0.47 0.59 -0.76 -0.65 -2.00 0.00 0.00 179.45 177.10 1abe s GLN 11 N -4.24 1.72 0.24 0.07 -0.21 -1.26 -3.64 119.66 112.34 1abe s GLN 11 Ca -0.05 -2.76 0.19 0.00 0.02 0.00 0.00 55.36 52.77 1abe s GLN 11 Cb 0.14 -2.47 0.94 0.00 1.00 0.00 0.00 33.01 32.62 1abe s GLN 11 CO 0.77 -1.33 1.59 -0.35 -2.12 0.00 0.00 175.29 173.85 1abe n PRO 12 N 2.39 0.13 0.04 2.91 -0.04 -1.26 -1.90 135.00 137.27 1abe n PRO 12 Ca 0.24 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.35 1abe n PRO 12 Cb 0.41 -1.85 0.49 0.00 -0.04 0.00 0.00 33.50 32.51 1abe n PRO 12 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1abe n GLU 13 N -2.12 0.09 -3.25 0.54 0.00 -1.26 -4.54 120.64 110.10 1abe n GLU 13 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 57.16 56.94 1abe n GLU 13 Cb 0.11 -1.62 -0.06 0.00 0.00 0.00 0.00 31.44 29.87 1abe n GLU 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1abe s GLU 14 N -3.06 4.35 0.41 3.44 2.02 -0.80 -4.94 118.70 120.12 1abe s GLU 14 Ca 0.11 0.56 0.18 0.00 0.02 0.00 0.00 54.97 55.83 1abe s GLU 14 Cb 0.14 -3.43 1.09 0.00 0.10 0.00 0.00 34.13 32.03 1abe s GLU 14 CO 0.48 0.16 1.81 -1.35 0.02 0.00 0.00 175.26 176.37 1abe h PRO 15 N 6.65 0.39 -0.54 0.39 0.11 -1.87 -1.02 132.00 136.11 1abe h PRO 15 Ca -0.41 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1abe h PRO 15 Cb 1.18 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 1abe h PRO 15 CO 0.75 0.26 -0.38 2.35 -0.21 0.00 0.00 178.00 180.77 1abe h TRP 16 N 0.41 -1.08 -0.07 0.65 2.91 -1.92 0.20 115.95 117.05 1abe h TRP 16 Ca 0.54 0.07 -0.20 0.00 1.13 0.00 0.00 58.89 60.44 1abe h TRP 16 Cb 1.36 0.55 -0.00 0.00 -0.51 0.00 0.00 29.16 30.56 1abe h TRP 16 CO -0.00 -0.40 -0.77 0.74 -1.03 0.00 0.00 178.44 176.97 1abe h PHE 17 N -0.22 0.61 -0.88 2.65 0.04 -1.45 -2.55 116.94 115.15 1abe h PHE 17 Ca 0.19 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 60.73 1abe h PHE 17 Cb 0.56 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 1abe h PHE 17 CO -0.65 1.06 0.58 1.96 -0.60 0.00 0.00 178.31 180.66 1abe h GLN 18 N 0.29 1.04 -0.39 1.51 4.20 -0.90 -0.78 115.11 120.08 1abe h GLN 18 Ca -0.04 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 1abe h GLN 18 Cb 1.37 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1abe h GLN 18 CO 0.14 0.69 -0.15 1.15 -0.67 0.00 0.00 178.83 179.98 1abe h THR 19 N 1.07 1.28 -0.79 -0.54 2.02 -0.48 -1.26 112.91 114.21 1abe h THR 19 Ca 0.36 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1abe h THR 19 Cb 0.07 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1abe h THR 19 CO -0.11 0.42 0.51 -0.33 0.37 0.00 0.00 175.52 176.38 1abe h GLU 20 N 0.60 1.05 -0.31 6.66 5.08 -0.96 -1.62 114.58 125.08 1abe h GLU 20 Ca 0.09 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1abe h GLU 20 Cb 0.69 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1abe h GLU 20 CO 0.05 0.71 0.17 -1.49 -1.00 0.00 0.00 179.01 177.45 1abe h TRP 21 N 1.07 0.32 -0.67 4.33 6.55 -0.98 -0.33 115.95 126.23 1abe h TRP 21 Ca 0.29 0.01 0.03 0.00 0.95 0.00 0.00 58.89 60.17 1abe h TRP 21 Cb -0.10 -0.10 -0.04 0.00 -0.86 0.00 0.00 29.16 28.06 1abe h TRP 21 CO -0.01 0.18 0.42 -0.22 -1.05 0.00 0.00 178.44 177.76 1abe h LYS 22 N 0.35 0.80 0.00 0.49 3.64 -0.80 -1.47 116.57 119.58 1abe h LYS 22 Ca 0.12 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1abe h LYS 22 Cb 0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1abe h LYS 22 CO -0.07 0.53 -0.43 0.74 -2.27 0.00 0.00 179.45 177.95 1abe h PHE 23 N 0.82 0.00 -0.42 1.91 -1.00 -1.02 -2.38 116.94 114.85 1abe h PHE 23 Ca 0.27 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.98 1abe h PHE 23 Cb 0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 1abe h PHE 23 CO -0.05 0.43 0.00 0.00 -1.61 0.00 0.00 178.31 177.08 1abe h ALA 24 N 1.57 0.56 -0.70 2.45 0.00 -0.71 -1.88 119.26 120.56 1abe h ALA 24 Ca -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1abe h ALA 24 Cb 1.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1abe h ALA 24 CO 0.06 0.35 0.45 -0.44 0.00 0.00 0.00 179.25 179.67 1abe h ASP 25 N 0.57 0.77 -0.86 0.00 3.32 -1.07 -1.33 116.42 117.81 1abe h ASP 25 Ca 0.12 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1abe h ASP 25 Cb 0.48 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1abe h ASP 25 CO 0.02 0.54 0.52 0.11 -1.72 0.00 0.00 179.24 178.72 1abe h LYS 26 N 0.91 1.16 -0.80 3.56 1.57 -1.08 -1.07 116.57 120.82 1abe h LYS 26 Ca 0.27 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1abe h LYS 26 Cb -0.05 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 31.98 1abe h LYS 26 CO -0.08 0.81 0.36 0.00 -0.57 0.00 0.00 179.45 179.98 1abe h ALA 27 N 1.28 1.04 -0.56 3.86 0.00 -0.59 -0.81 119.26 123.47 1abe h ALA 27 Ca 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1abe h ALA 27 Cb -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1abe h ALA 27 CO -0.06 0.62 0.24 0.78 0.00 0.00 0.00 179.25 180.84 1abe h GLY 28 N 1.15 0.89 0.95 0.00 0.00 -0.46 -0.80 103.07 104.80 1abe h GLY 28 Ca 0.27 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1abe h GLY 28 CO -0.03 0.44 0.18 0.50 0.00 0.00 0.00 176.54 177.63 1abe h LYS 29 N 0.77 0.51 -0.36 4.80 1.57 -0.76 0.26 116.57 123.36 1abe h LYS 29 Ca 0.19 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1abe h LYS 29 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1abe h LYS 29 CO -0.02 0.44 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.76 1abe h ASP 30 N 0.44 0.73 0.27 0.86 3.32 -0.89 -3.33 116.42 117.82 1abe h ASP 30 Ca 0.12 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1abe h ASP 30 Cb 0.10 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1abe h ASP 30 CO -0.02 0.93 -1.08 0.18 -1.72 0.00 0.00 179.24 177.53 1abe n LEU 31 N -4.37 0.64 -1.13 1.55 4.77 -0.33 -5.02 117.00 113.11 1abe n LEU 31 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1abe n LEU 31 Cb 0.36 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1abe n LEU 31 CO 0.42 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1abe n GLY 32 N 1.41 0.86 3.27 -0.72 0.00 0.82 -5.05 105.19 105.77 1abe n GLY 32 Ca 0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1abe n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1abe s PHE 33 N -2.76 -0.09 -0.12 1.61 -0.12 -0.55 -4.47 117.98 111.48 1abe s PHE 33 Ca 0.00 -0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 56.62 1abe s PHE 33 Cb 0.00 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1abe s PHE 33 CO 0.00 -0.60 0.12 -2.00 -0.05 0.00 0.00 175.22 172.70 1abe s GLU 34 N -3.41 3.44 -0.23 1.99 2.12 -0.78 -4.17 118.70 117.66 1abe s GLU 34 Ca 0.01 -0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.11 1abe s GLU 34 Cb 0.02 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 1abe s GLU 34 CO -0.09 0.74 0.03 0.08 -0.54 0.00 0.00 175.26 175.48 1abe s VAL 35 N -0.92 4.00 -0.41 3.70 1.01 -1.26 -0.87 120.40 125.65 1abe s VAL 35 Ca 0.14 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 1abe s VAL 35 Cb -0.12 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1abe s VAL 35 CO 0.03 0.38 0.59 -0.63 0.00 0.00 0.00 175.10 175.48 1abe s ILE 36 N 1.45 4.90 -0.37 2.22 1.01 -0.04 -4.93 121.20 125.44 1abe s ILE 36 Ca 0.05 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.66 1abe s ILE 36 Cb -0.15 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1abe s ILE 36 CO 0.01 -0.47 0.60 -0.54 0.00 0.00 0.00 174.94 174.54 1abe s LYS 37 N 2.64 3.57 -0.02 2.79 1.02 -1.26 -0.43 119.74 128.05 1abe s LYS 37 Ca 0.21 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 56.12 1abe s LYS 37 Cb -0.15 -3.84 -0.00 0.00 -0.52 0.00 0.00 37.83 33.32 1abe s LYS 37 CO 0.17 -0.77 -0.12 0.42 -0.92 0.00 0.00 175.35 174.13 1abe s ILE 38 N 2.64 0.97 -0.01 2.17 1.01 -0.96 -5.00 121.20 122.02 1abe s ILE 38 Ca 0.22 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 1abe s ILE 38 Cb -0.15 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1abe s ILE 38 CO 0.15 0.29 0.79 0.00 0.00 0.00 0.00 174.94 176.17 1abe s ALA 39 N -0.01 3.30 -0.53 9.38 0.00 -1.26 -1.90 121.76 130.74 1abe s ALA 39 Ca -0.00 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.31 1abe s ALA 39 Cb -0.08 -3.06 0.26 0.00 0.00 0.00 0.00 23.12 20.24 1abe s ALA 39 CO 0.00 -0.08 0.66 1.33 0.00 0.00 0.00 175.76 177.68 1abe n VAL 40 N 3.47 1.07 0.35 0.00 0.24 0.56 -4.88 118.33 119.14 1abe n VAL 40 Ca 0.00 -4.72 0.13 0.00 -2.04 0.00 0.00 64.34 57.71 1abe n VAL 40 Cb 0.51 -1.97 0.56 0.00 -1.47 0.00 0.00 33.84 31.46 1abe n VAL 40 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1abe h PRO 41 N 4.03 0.00 -4.22 7.34 0.13 -1.76 -3.37 132.00 134.15 1abe h PRO 41 Ca 0.14 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.09 1abe h PRO 41 Cb 0.75 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.76 1abe h PRO 41 CO 0.67 0.00 -0.40 0.16 -0.23 0.00 0.00 178.00 178.21 1abe s ASP 42 N -4.55 0.19 0.27 1.44 1.47 -1.26 -4.86 116.67 109.36 1abe s ASP 42 Ca 0.03 -1.25 -0.03 0.00 1.18 0.00 0.00 52.55 52.48 1abe s ASP 42 Cb 0.09 0.49 0.36 0.00 -0.34 0.00 0.00 42.92 43.52 1abe s ASP 42 CO 0.41 -1.00 1.87 1.23 0.68 0.00 0.00 175.17 178.36 1abe h GLY 43 N 2.42 1.09 0.94 2.12 0.00 -1.95 -1.26 103.07 106.44 1abe h GLY 43 Ca -0.31 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1abe h GLY 43 CO 0.45 0.50 0.12 -2.09 0.00 0.00 0.00 176.54 175.52 1abe h GLU 44 N 1.01 0.66 -0.26 4.80 4.81 -1.98 -1.07 114.58 122.55 1abe h GLU 44 Ca 0.25 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1abe h GLU 44 Cb 0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1abe h GLU 44 CO -0.03 0.66 -0.22 0.87 -0.73 0.00 0.00 179.01 179.56 1abe h LYS 45 N 0.54 0.48 0.07 1.92 1.57 -1.91 -1.45 116.57 117.79 1abe h LYS 45 Ca 0.13 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1abe h LYS 45 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1abe h LYS 45 CO -0.00 0.67 -0.04 1.15 -0.57 0.00 0.00 179.45 180.66 1abe h THR 46 N 0.43 0.92 -0.31 -0.16 2.02 -0.75 -0.84 112.91 114.21 1abe h THR 46 Ca 0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 1abe h THR 46 Cb 0.63 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1abe h THR 46 CO 0.04 0.00 -0.20 -0.07 0.37 0.00 0.00 175.52 175.67 1abe h LEU 47 N -0.11 0.71 -1.40 2.58 3.38 -1.00 -2.84 115.31 116.63 1abe h LEU 47 Ca -0.01 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1abe h LEU 47 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1abe h LEU 47 CO 0.01 0.99 0.25 0.78 0.09 0.00 0.00 178.44 180.56 1abe h ASN 48 N 0.44 0.58 0.22 -0.43 2.35 -1.22 -2.30 115.58 115.22 1abe h ASN 48 Ca 0.06 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1abe h ASN 48 Cb 0.74 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1abe h ASN 48 CO 0.05 0.48 -0.34 0.00 -1.65 0.00 0.00 177.43 175.98 1abe h ALA 49 N 1.62 1.26 -0.50 -0.83 0.00 -0.96 -0.83 119.26 119.01 1abe h ALA 49 Ca 0.17 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1abe h ALA 49 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1abe h ALA 49 CO -0.03 0.51 -0.19 0.82 0.00 0.00 0.00 179.25 180.37 1abe h ILE 50 N 0.16 1.27 -0.78 0.00 2.04 -1.19 -1.16 117.51 117.84 1abe h ILE 50 Ca 0.02 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 1abe h ILE 50 Cb 0.68 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1abe h ILE 50 CO 0.05 0.47 0.41 0.44 0.00 0.00 0.00 178.15 179.52 1abe h ASP 51 N 0.88 1.00 -0.76 1.72 3.32 -1.11 -0.12 116.42 121.35 1abe h ASP 51 Ca 0.12 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1abe h ASP 51 Cb 0.76 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1abe h ASP 51 CO 0.06 0.83 0.45 0.28 -1.72 0.00 0.00 179.24 179.13 1abe h SER 52 N 1.09 0.93 -0.75 6.45 0.02 -0.76 -1.67 113.55 118.87 1abe h SER 52 Ca 0.27 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1abe h SER 52 Cb 0.07 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1abe h SER 52 CO -0.04 0.73 0.48 -0.07 -1.14 0.00 0.00 176.83 176.79 1abe h LEU 53 N 1.05 0.87 -0.33 5.07 3.38 -0.82 -1.11 115.31 123.42 1abe h LEU 53 Ca 0.27 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1abe h LEU 53 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1abe h LEU 53 CO -0.05 0.65 0.19 0.00 0.09 0.00 0.00 178.44 179.32 1abe h ALA 54 N 1.26 0.42 -0.12 1.53 0.00 -0.38 -0.78 119.26 121.19 1abe h ALA 54 Ca 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1abe h ALA 54 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1abe h ALA 54 CO -0.06 -0.06 0.07 0.00 0.00 0.00 0.00 179.25 179.21 1abe h ALA 55 N 1.06 1.90 -0.00 0.00 0.00 -0.87 -1.64 119.26 119.71 1abe h ALA 55 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1abe h ALA 55 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1abe h ALA 55 CO -0.02 0.09 -0.27 0.43 0.00 0.00 0.00 179.25 179.48 1abe n SER 56 N -4.51 0.47 0.00 0.00 7.64 -0.46 -4.94 113.62 111.82 1abe n SER 56 Ca -0.01 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1abe n SER 56 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1abe n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1abe n GLY 57 N 1.42 0.63 3.77 0.23 0.00 -0.62 -4.99 105.19 105.63 1abe n GLY 57 Ca 0.09 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1abe n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abe s ALA 58 N -2.00 2.96 -2.14 4.61 0.00 -0.36 -4.63 121.76 120.21 1abe s ALA 58 Ca 0.00 1.02 0.25 0.00 0.00 0.00 0.00 51.96 53.23 1abe s ALA 58 Cb 0.00 -3.42 0.37 0.00 0.00 0.00 0.00 23.12 20.07 1abe s ALA 58 CO 0.00 -0.80 1.33 1.63 0.00 0.00 0.00 175.76 177.93 1abe n LYS 59 N -0.54 1.31 0.00 0.00 4.76 -0.78 -4.78 118.16 118.13 1abe n LYS 59 Ca 0.08 -0.97 0.00 0.00 -2.87 0.00 0.00 58.31 54.54 1abe n LYS 59 Cb 0.47 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1abe n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1abe n GLY 60 N 1.36 -0.21 3.40 0.72 0.00 -1.26 -2.32 105.19 106.89 1abe n GLY 60 Ca 0.12 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1abe n GLY 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1abe s PHE 61 N -2.00 -0.48 -0.12 1.61 -0.71 -0.17 -1.07 117.98 115.04 1abe s PHE 61 Ca 0.00 0.27 -0.06 0.00 -1.04 0.00 0.00 56.93 56.11 1abe s PHE 61 Cb 0.00 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1abe s PHE 61 CO 0.00 -0.81 0.09 0.08 -1.34 0.00 0.00 175.22 173.24 1abe s VAL 62 N -3.66 5.07 -0.05 -2.49 1.01 -0.12 -2.40 120.40 117.77 1abe s VAL 62 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1abe s VAL 62 Cb -0.00 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1abe s VAL 62 CO -0.12 0.59 0.14 -0.51 0.00 0.00 0.00 175.10 175.20 1abe s ILE 63 N -0.78 0.01 -0.46 2.22 2.07 0.07 -0.25 121.20 124.08 1abe s ILE 63 Ca 0.13 -0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1abe s ILE 63 Cb -0.12 -0.24 0.12 0.00 0.13 0.00 0.00 42.46 42.36 1abe s ILE 63 CO 0.03 -0.06 0.25 0.00 -1.91 0.00 0.00 174.94 173.25 1abe s THR 65 N 0.76 2.67 -0.18 0.00 -1.32 -1.26 -1.72 115.64 114.59 1abe s THR 65 Ca 0.11 0.54 0.29 0.00 -1.21 0.00 0.00 61.69 61.42 1abe s THR 65 Cb -0.22 -3.29 0.33 0.00 -1.51 0.00 0.00 72.50 67.81 1abe s THR 65 CO -0.04 0.02 1.86 1.55 -2.21 0.00 0.00 174.62 175.80 1abe h PRO 66 N 2.10 0.00 -2.25 7.08 0.13 -1.90 -3.41 132.00 133.76 1abe h PRO 66 Ca -0.50 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 1abe h PRO 66 Cb 1.26 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.09 1abe h PRO 66 CO 0.60 0.00 -0.49 0.34 -0.23 0.00 0.00 178.00 178.23 1abe s ASP 67 N -5.11 0.32 0.50 1.44 -1.08 -1.26 -5.01 116.67 106.47 1abe s ASP 67 Ca 0.03 0.37 0.26 0.00 -0.52 0.00 0.00 52.55 52.69 1abe s ASP 67 Cb 0.09 1.00 1.35 0.00 -1.46 0.00 0.00 42.92 43.90 1abe s ASP 67 CO 0.49 -0.28 1.89 -0.65 0.52 0.00 0.00 175.17 177.15 1abe h PRO 68 N 8.21 0.12 0.00 4.34 0.11 -1.82 -0.80 132.00 142.16 1abe h PRO 68 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1abe h PRO 68 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1abe h PRO 68 CO 0.22 0.08 0.00 1.63 -0.21 0.00 0.00 178.00 179.72 1abe n LYS 69 N -4.36 0.05 0.00 1.05 5.02 -1.26 -1.72 118.16 116.94 1abe n LYS 69 Ca 0.17 0.21 0.15 0.00 -2.02 0.00 0.00 58.31 56.83 1abe n LYS 69 Cb 0.83 -1.50 0.77 0.00 -0.02 0.00 0.00 35.03 35.10 1abe n LYS 69 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1abe n LEU 70 N -1.45 0.26 -0.25 -0.35 4.77 -0.31 -4.35 117.00 115.32 1abe n LEU 70 Ca 0.05 0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.08 1abe n LEU 70 Cb 0.17 -0.13 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1abe n LEU 70 CO 0.14 0.05 0.73 1.23 -1.33 0.00 0.00 177.39 178.21 1abe h GLY 71 N 4.98 0.58 0.89 -0.72 0.00 -1.57 -0.45 103.07 106.77 1abe h GLY 71 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1abe h GLY 71 CO 0.00 -0.28 0.29 1.76 0.00 0.00 0.00 176.54 178.31 1abe h SER 72 N 0.01 0.47 -0.41 0.19 0.02 -1.79 -1.31 113.55 110.73 1abe h SER 72 Ca 0.36 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.23 1abe h SER 72 Cb 0.57 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1abe h SER 72 CO -0.74 0.33 -0.07 0.00 -1.14 0.00 0.00 176.83 175.21 1abe h ALA 73 N 1.21 0.56 -0.75 3.77 0.00 -1.61 -0.82 119.26 121.62 1abe h ALA 73 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1abe h ALA 73 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1abe h ALA 73 CO -0.09 0.41 0.50 0.82 0.00 0.00 0.00 179.25 180.89 1abe h ILE 74 N 0.59 1.19 -0.67 0.00 2.04 -0.87 -1.08 117.51 118.71 1abe h ILE 74 Ca 0.11 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1abe h ILE 74 Cb 0.58 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1abe h ILE 74 CO 0.03 0.19 0.15 0.58 0.00 0.00 0.00 178.15 179.10 1abe h VAL 75 N 1.02 1.26 -0.07 1.67 2.07 -1.09 -0.96 116.25 120.15 1abe h VAL 75 Ca 0.28 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1abe h VAL 75 Cb -0.12 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1abe h VAL 75 CO -0.06 0.37 0.03 0.00 0.02 0.00 0.00 177.57 177.93 1abe h ALA 76 N 1.06 0.09 -0.59 1.67 0.00 -0.62 0.40 119.26 121.26 1abe h ALA 76 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1abe h ALA 76 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1abe h ALA 76 CO 0.00 -0.33 0.04 0.87 0.00 0.00 0.00 179.25 179.83 1abe h LYS 77 N -0.04 1.02 -0.54 0.00 1.57 -1.16 -2.35 116.57 115.07 1abe h LYS 77 Ca 0.02 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 1abe h LYS 77 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1abe h LYS 77 CO -0.00 0.98 -0.11 0.00 -0.57 0.00 0.00 179.45 179.75 1abe h ALA 78 N 0.99 0.74 -0.66 3.86 0.00 -0.98 -2.62 119.26 120.59 1abe h ALA 78 Ca 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1abe h ALA 78 Cb 0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1abe h ALA 78 CO 0.02 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.25 1abe h ARG 79 N 0.90 0.94 -0.34 0.00 3.08 -0.76 -1.29 114.38 116.90 1abe h ARG 79 Ca 0.14 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1abe h ARG 79 Cb 0.68 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1abe h ARG 79 CO 0.05 0.73 0.23 0.78 -1.07 0.00 0.00 179.97 180.69 1abe h GLY 80 N 1.01 0.37 -2.56 0.04 0.00 -1.10 -2.27 103.07 98.56 1abe h GLY 80 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1abe h GLY 80 CO -0.03 0.11 0.00 -1.72 0.00 0.00 0.00 176.54 174.90 1abe n TYR 81 N -4.49 1.22 -3.60 5.60 4.01 -0.59 -4.96 117.16 114.36 1abe n TYR 81 Ca 0.03 -0.62 -0.20 0.00 -0.16 0.00 0.00 57.90 56.95 1abe n TYR 81 Cb 0.18 -0.20 0.06 0.00 -0.31 0.00 0.00 39.34 39.06 1abe n TYR 81 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1abe n ASP 82 N 0.85 -1.64 -4.39 7.72 8.00 -0.85 -5.01 116.55 121.22 1abe n ASP 82 Ca 0.23 -0.74 -0.32 0.00 0.71 0.00 0.00 54.79 54.68 1abe n ASP 82 Cb 0.80 -4.49 -0.14 0.00 -0.02 0.00 0.00 41.12 37.27 1abe n ASP 82 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1abe s MET 83 N -5.75 2.25 0.13 -1.24 -1.94 -0.59 -4.84 119.30 107.31 1abe s MET 83 Ca 0.02 -0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 53.03 1abe s MET 83 Cb -0.01 -2.18 -0.06 0.00 2.01 0.00 0.00 34.83 34.58 1abe s MET 83 CO 0.78 0.58 0.48 0.15 -0.01 0.00 0.00 175.02 177.00 1abe s LYS 84 N -0.77 3.86 -0.01 2.03 -0.14 -0.98 -4.41 119.74 119.32 1abe s LYS 84 Ca 0.11 0.32 0.04 0.00 -1.36 0.00 0.00 55.97 55.08 1abe s LYS 84 Cb -0.10 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.11 1abe s LYS 84 CO 0.00 0.50 -0.13 0.08 -0.76 0.00 0.00 175.35 175.04 1abe s VAL 85 N -1.48 1.01 -0.05 3.17 1.01 -1.26 -1.00 120.40 121.80 1abe s VAL 85 Ca 0.37 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1abe s VAL 85 Cb -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1abe s VAL 85 CO 0.19 0.29 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 1abe s ILE 86 N -0.22 1.13 -0.04 2.22 1.01 -1.01 -4.35 121.20 119.93 1abe s ILE 86 Ca 0.03 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1abe s ILE 86 Cb -0.06 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 1abe s ILE 86 CO -0.00 0.35 0.31 0.00 0.00 0.00 0.00 174.94 175.60 1abe s ALA 87 N 0.46 3.76 -0.04 9.38 0.00 0.21 -0.76 121.76 134.78 1abe s ALA 87 Ca -0.10 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1abe s ALA 87 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1abe s ALA 87 CO 0.03 0.53 -0.24 0.54 0.00 0.00 0.00 175.76 176.62 1abe s VAL 88 N -1.07 1.94 0.00 0.00 0.11 -0.47 -1.72 120.40 119.18 1abe s VAL 88 Ca 0.21 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1abe s VAL 88 Cb -0.15 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.07 1abe s VAL 88 CO 0.10 0.55 0.00 0.47 -3.33 0.00 0.00 175.10 172.89 1abe n ASP 89 N 2.76 0.00 -4.31 3.54 8.00 -0.21 -4.05 116.55 122.28 1abe n ASP 89 Ca -0.17 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.97 1abe n ASP 89 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.48 1abe n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1abe s ASP 90 N 0.00 4.69 0.34 -2.24 1.11 -1.26 -4.83 116.67 114.48 1abe s ASP 90 Ca 0.00 -0.61 -0.28 0.00 0.18 0.00 0.00 52.55 51.84 1abe s ASP 90 Cb 0.00 -1.79 -0.10 0.00 1.07 0.00 0.00 42.92 42.10 1abe s ASP 90 CO 0.00 -0.11 1.21 -1.58 1.18 0.00 0.00 175.17 175.87 1abe s GLN 91 N 1.46 4.34 0.38 8.23 0.74 -1.26 -4.59 119.66 128.95 1abe s GLN 91 Ca 0.03 1.99 -0.24 0.00 0.05 0.00 0.00 55.36 57.19 1abe s GLN 91 Cb -0.16 -2.98 -0.09 0.00 1.10 0.00 0.00 33.01 30.88 1abe s GLN 91 CO -0.01 -0.12 1.02 -0.06 -0.55 0.00 0.00 175.29 175.57 1abe s PHE 92 N -1.23 3.37 0.11 1.67 0.40 -1.26 -4.63 117.98 116.40 1abe s PHE 92 Ca 0.50 1.67 0.03 0.00 -0.60 0.00 0.00 56.93 58.54 1abe s PHE 92 Cb -0.35 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 1abe s PHE 92 CO 0.45 -0.42 -0.09 0.14 0.70 0.00 0.00 175.22 176.01 1abe s VAL 93 N -1.66 0.89 0.27 -0.44 -7.23 -0.70 -0.46 120.40 111.08 1abe s VAL 93 Ca 0.56 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1abe s VAL 93 Cb -0.21 -1.56 0.06 0.00 0.56 0.00 0.00 36.38 35.23 1abe s VAL 93 CO 0.27 -0.71 0.37 -0.46 -0.31 0.00 0.00 175.10 174.25 1abe n ASN 94 N 0.20 0.14 -0.26 4.85 0.23 0.24 -4.30 115.26 116.35 1abe n ASN 94 Ca -0.13 -1.20 0.05 0.00 -0.53 0.00 0.00 54.58 52.76 1abe n ASN 94 Cb 0.59 -0.27 0.28 0.00 -2.08 0.00 0.00 39.78 38.30 1abe n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1abe h ALA 95 N -1.51 1.57 -0.01 -2.53 0.00 -1.88 -0.77 119.26 114.13 1abe h ALA 95 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1abe h ALA 95 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1abe h ALA 95 CO 0.10 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.28 1abe n LYS 96 N -4.48 1.07 -0.73 0.00 5.02 -1.26 -4.88 118.16 112.89 1abe n LYS 96 Ca 0.13 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1abe n LYS 96 Cb 0.20 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1abe n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1abe n GLY 97 N 0.91 0.61 3.84 0.72 0.00 -0.30 -5.05 105.19 105.92 1abe n GLY 97 Ca 0.18 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1abe n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abe s LYS 98 N -0.63 4.06 0.31 1.61 -0.14 -1.26 -4.74 119.74 118.96 1abe s LYS 98 Ca 0.00 0.61 -0.29 0.00 -1.36 0.00 0.00 55.97 54.92 1abe s LYS 98 Cb 0.00 -2.90 -0.11 0.00 -1.68 0.00 0.00 37.83 33.14 1abe s LYS 98 CO 0.00 0.44 1.49 -2.14 -0.76 0.00 0.00 175.35 174.39 1abe s PRO 99 N -1.99 4.18 -1.19 -1.68 0.02 -1.26 0.79 135.00 133.87 1abe s PRO 99 Ca 0.40 2.46 -0.16 0.00 0.02 0.00 0.00 61.00 63.72 1abe s PRO 99 Cb -0.15 -3.04 0.13 0.00 0.02 0.00 0.00 34.50 31.46 1abe s PRO 99 CO 0.20 -0.50 1.48 -1.64 -0.33 0.00 0.00 177.00 176.21 1abe s MET 100 N -1.04 3.98 0.61 5.54 -1.94 0.40 -4.76 119.30 122.08 1abe s MET 100 Ca 0.58 -2.25 0.29 0.00 -1.71 0.00 0.00 55.69 52.60 1abe s MET 100 Cb -0.45 -5.19 1.58 0.00 2.01 0.00 0.00 34.83 32.77 1abe s MET 100 CO 0.51 -1.93 1.97 -0.44 -0.01 0.00 0.00 175.02 175.13 1abe h ASP 101 N 7.60 0.00 0.09 3.03 3.32 -1.92 -2.90 116.42 125.64 1abe h ASP 101 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1abe h ASP 101 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1abe h ASP 101 CO 1.30 0.00 -0.03 0.35 -1.72 0.00 0.00 179.24 179.14 1abe n THR 102 N -3.57 0.00 -3.33 0.35 -2.24 -1.26 -4.71 114.28 99.52 1abe n THR 102 Ca 0.04 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 1abe n THR 102 Cb 0.50 -0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 1abe n THR 102 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1abe s VAL 103 N -2.13 5.14 0.35 2.28 1.01 -1.10 -5.04 120.40 120.92 1abe s VAL 103 Ca 0.39 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 1abe s VAL 103 Cb 0.21 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 1abe s VAL 103 CO 0.39 0.15 1.53 -2.65 0.00 0.00 0.00 175.10 174.51 1abe n PRO 104 N 5.23 2.70 -4.51 2.72 -0.02 -1.26 -4.84 135.00 135.02 1abe n PRO 104 Ca -0.07 0.95 -0.21 0.00 -2.02 0.00 0.00 63.50 62.15 1abe n PRO 104 Cb 0.50 -2.70 -0.14 0.00 -0.02 0.00 0.00 33.50 31.14 1abe n PRO 104 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1abe s LEU 105 N -1.61 2.09 -0.17 2.45 2.96 -0.56 -0.62 118.68 123.22 1abe s LEU 105 Ca 0.56 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1abe s LEU 105 Cb -0.48 -0.67 0.02 0.00 0.50 0.00 0.00 46.19 45.57 1abe s LEU 105 CO 0.59 0.11 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.89 1abe s VAL 106 N -0.53 1.80 0.27 1.68 1.01 -0.70 -0.52 120.40 123.40 1abe s VAL 106 Ca 0.04 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1abe s VAL 106 Cb -0.06 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1abe s VAL 106 CO 0.00 0.44 0.57 0.00 0.00 0.00 0.00 175.10 176.11 1abe s MET 107 N 1.38 1.67 0.78 2.72 0.23 -0.28 -1.04 119.30 124.76 1abe s MET 107 Ca 0.04 -1.20 -0.11 0.00 -1.03 0.00 0.00 55.69 53.38 1abe s MET 107 Cb -0.14 0.52 0.06 0.00 -1.53 0.00 0.00 34.83 33.75 1abe s MET 107 CO -0.11 -0.72 1.09 0.00 -2.03 0.00 0.00 175.02 173.24 1abe s MET 108 N -3.87 2.21 -1.31 3.16 0.23 -1.26 -0.45 119.30 118.00 1abe s MET 108 Ca 0.19 0.75 -0.18 0.00 -1.03 0.00 0.00 55.69 55.42 1abe s MET 108 Cb -0.03 -1.92 0.05 0.00 -1.53 0.00 0.00 34.83 31.40 1abe s MET 108 CO 0.09 -1.56 1.84 0.00 -2.03 0.00 0.00 175.02 173.36 1abe n ALA 109 N -3.41 3.76 -0.14 3.16 0.00 -0.64 -4.62 120.51 118.61 1abe n ALA 109 Ca 0.07 -3.78 -0.03 0.00 0.00 0.00 0.00 53.44 49.70 1abe n ALA 109 Cb 0.55 -3.59 0.05 0.00 0.00 0.00 0.00 19.45 16.46 1abe n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abe h ALA 110 N 7.47 0.45 -0.15 0.00 0.00 -1.91 -0.60 119.26 124.53 1abe h ALA 110 Ca 0.45 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 1abe h ALA 110 Cb 0.83 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1abe h ALA 110 CO 1.53 -0.37 0.08 1.15 0.00 0.00 0.00 179.25 181.64 1abe h THR 111 N 0.14 1.09 -0.64 0.00 2.02 -1.89 -0.77 112.91 112.86 1abe h THR 111 Ca 0.23 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1abe h THR 111 Cb 0.33 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1abe h THR 111 CO -0.36 0.08 0.30 0.11 0.37 0.00 0.00 175.52 176.02 1abe h LYS 112 N 0.15 0.90 -0.02 6.66 1.79 -1.83 -0.09 116.57 124.12 1abe h LYS 112 Ca 0.05 -0.12 -0.19 0.00 -2.18 0.00 0.00 60.65 58.22 1abe h LYS 112 Cb 0.06 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1abe h LYS 112 CO -0.01 0.70 -0.80 0.82 -1.08 0.00 0.00 179.45 179.09 1abe h ILE 113 N 0.90 1.45 -0.26 1.86 2.04 -0.94 -1.66 117.51 120.90 1abe h ILE 113 Ca 0.22 -2.40 -0.16 0.00 1.00 0.00 0.00 64.86 63.53 1abe h ILE 113 Cb 0.10 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1abe h ILE 113 CO -0.03 0.70 -0.47 1.23 0.00 0.00 0.00 178.15 179.59 1abe h GLY 114 N 1.65 0.75 1.02 5.37 0.00 -0.77 -1.24 103.07 109.85 1abe h GLY 114 Ca -0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1abe h GLY 114 CO 0.13 0.73 0.47 0.83 0.00 0.00 0.00 176.54 178.70 1abe h GLU 115 N 0.55 1.15 -0.71 4.80 5.08 -0.89 -1.97 114.58 122.59 1abe h GLU 115 Ca 0.03 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1abe h GLU 115 Cb 1.02 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1abe h GLU 115 CO 0.10 0.83 0.30 -0.09 -1.00 0.00 0.00 179.01 179.15 1abe h ARG 116 N 1.15 1.04 -0.34 2.33 9.65 -1.05 -1.43 114.38 125.73 1abe h ARG 116 Ca 0.29 -0.18 0.04 0.00 -1.10 0.00 0.00 59.98 59.04 1abe h ARG 116 Cb 0.01 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.37 1abe h ARG 116 CO -0.05 0.85 0.11 0.37 2.80 0.00 0.00 179.97 184.04 1abe h GLN 117 N 1.00 0.24 -0.78 0.20 4.15 -0.67 0.92 115.11 120.16 1abe h GLN 117 Ca 0.24 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 1abe h GLN 117 Cb 0.18 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1abe h GLN 117 CO -0.02 0.16 0.29 0.78 -1.93 0.00 0.00 178.83 178.10 1abe h GLY 118 N 0.24 1.27 0.93 2.39 0.00 -0.95 0.53 103.07 107.48 1abe h GLY 118 Ca 0.15 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1abe h GLY 118 CO -0.17 0.67 0.00 1.46 0.00 0.00 0.00 176.54 178.51 1abe h GLN 119 N 1.15 0.01 -0.19 4.80 4.20 -0.86 -2.22 115.11 122.00 1abe h GLN 119 Ca 0.26 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 1abe h GLN 119 Cb 0.25 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1abe h GLN 119 CO -0.02 0.08 -0.28 0.93 -0.67 0.00 0.00 178.83 178.87 1abe h GLU 120 N -0.06 0.37 -0.26 1.46 4.39 -0.59 -1.47 114.58 118.43 1abe h GLU 120 Ca 0.00 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1abe h GLU 120 Cb 0.07 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1abe h GLU 120 CO -0.00 0.63 0.13 -0.07 -1.16 0.00 0.00 179.01 178.53 1abe h LEU 121 N 0.33 0.33 -0.42 1.33 3.38 -0.73 -1.91 115.31 117.63 1abe h LEU 121 Ca 0.05 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1abe h LEU 121 Cb 0.67 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1abe h LEU 121 CO 0.05 0.36 0.25 0.22 0.09 0.00 0.00 178.44 179.41 1abe h TYR 122 N 0.28 0.47 -0.50 1.13 3.20 -1.18 -0.37 116.97 120.00 1abe h TYR 122 Ca 0.09 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1abe h TYR 122 Cb 0.11 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1abe h TYR 122 CO -0.02 0.28 0.33 0.87 -1.64 0.00 0.00 178.16 177.97 1abe h LYS 123 N 0.51 0.65 -0.27 1.82 1.57 -1.16 0.56 116.57 120.26 1abe h LYS 123 Ca 0.17 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1abe h LYS 123 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1abe h LYS 123 CO -0.07 0.43 -0.41 1.49 -0.57 0.00 0.00 179.45 180.32 1abe h GLU 124 N 0.67 0.64 -0.76 3.15 4.57 -1.04 -1.34 114.58 120.46 1abe h GLU 124 Ca 0.18 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1abe h GLU 124 Cb -0.08 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 1abe h GLU 124 CO -0.04 0.93 0.49 1.98 -1.18 0.00 0.00 179.01 181.19 1abe h MET 125 N 0.52 0.96 -0.24 1.92 4.05 -0.56 -1.41 114.93 120.16 1abe h MET 125 Ca 0.04 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1abe h MET 125 Cb 0.93 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1abe h MET 125 CO 0.08 0.63 0.13 1.96 0.23 0.00 0.00 176.91 179.95 1abe h GLN 126 N 0.99 0.35 -0.37 0.39 4.20 -0.49 -2.06 115.11 118.11 1abe h GLN 126 Ca 0.29 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1abe h GLN 126 Cb -0.06 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1abe h GLN 126 CO -0.08 0.33 0.25 -0.22 -0.67 0.00 0.00 178.83 178.43 1abe h LYS 127 N 0.28 0.46 0.00 1.46 3.64 -0.83 -1.16 116.57 120.42 1abe h LYS 127 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1abe h LYS 127 Cb 0.09 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1abe h LYS 127 CO -0.01 0.30 -0.21 0.54 -2.27 0.00 0.00 179.45 177.80 1abe n ARG 128 N -4.48 0.06 -2.53 1.90 1.74 -0.57 -4.95 116.66 107.83 1abe n ARG 128 Ca 0.03 0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 1abe n ARG 128 Cb 0.08 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 29.98 1abe n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1abe n GLY 129 N 1.46 -0.12 3.77 -0.13 0.00 -0.44 -4.99 105.19 104.74 1abe n GLY 129 Ca 0.06 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1abe n GLY 129 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1abe s TRP 130 N -2.82 2.87 -0.23 1.61 0.51 -1.20 -4.97 118.94 114.72 1abe s TRP 130 Ca 0.11 1.33 -0.29 0.00 -2.12 0.00 0.00 56.10 55.12 1abe s TRP 130 Cb -0.05 -3.80 0.00 0.00 -0.81 0.00 0.00 33.47 28.81 1abe s TRP 130 CO 0.13 -2.28 1.17 0.34 -0.51 0.00 0.00 176.95 175.80 1abe s ASP 131 N -0.38 6.95 0.44 2.95 -1.08 -1.26 -4.90 116.67 119.39 1abe s ASP 131 Ca 0.51 1.43 0.20 0.00 -0.52 0.00 0.00 52.55 54.17 1abe s ASP 131 Cb -0.42 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 39.66 1abe s ASP 131 CO 0.56 -0.80 1.84 1.62 0.52 0.00 0.00 175.17 178.92 1abe h VAL 132 N 5.58 0.63 -0.05 1.11 3.04 -1.93 -0.69 116.25 123.94 1abe h VAL 132 Ca -0.23 -0.11 0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1abe h VAL 132 Cb 1.08 0.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1abe h VAL 132 CO 0.99 0.06 0.04 0.11 -1.01 0.00 0.00 177.57 177.76 1abe h LYS 133 N 0.33 0.00 -0.20 4.17 1.57 -2.03 -2.69 116.57 117.73 1abe h LYS 133 Ca 0.49 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.23 1abe h LYS 133 Cb 1.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1abe h LYS 133 CO -0.17 0.00 -0.04 -0.85 -0.57 0.00 0.00 179.45 177.82 1abe n GLU 134 N -4.35 2.19 -4.32 3.15 0.28 -0.27 -5.00 120.64 112.33 1abe n GLU 134 Ca -0.02 -2.87 -0.23 0.00 -0.16 0.00 0.00 57.16 53.88 1abe n GLU 134 Cb 0.14 -1.74 -0.08 0.00 1.43 0.00 0.00 31.44 31.19 1abe n GLU 134 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1abe s SER 135 N -2.38 4.42 0.15 -1.84 0.01 -1.01 -0.10 113.70 112.95 1abe s SER 135 Ca 0.40 -0.69 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 1abe s SER 135 Cb 0.34 -0.77 0.07 0.00 0.21 0.00 0.00 66.02 65.87 1abe s SER 135 CO 0.05 0.01 0.59 0.00 0.41 0.00 0.00 173.24 174.30 1abe s ALA 136 N -2.34 -1.58 -0.15 1.44 0.00 -0.53 -4.96 121.76 113.65 1abe s ALA 136 Ca 0.31 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 1abe s ALA 136 Cb -0.06 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1abe s ALA 136 CO 0.19 -0.75 0.04 0.08 0.00 0.00 0.00 175.76 175.32 1abe s VAL 137 N -3.67 4.64 -0.30 0.00 1.01 -0.64 -1.13 120.40 120.31 1abe s VAL 137 Ca 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1abe s VAL 137 Cb -0.01 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1abe s VAL 137 CO -0.12 0.52 0.08 -0.32 0.00 0.00 0.00 175.10 175.26 1abe s MET 138 N -0.09 2.96 -0.29 2.72 1.75 0.56 -1.30 119.30 125.61 1abe s MET 138 Ca 0.06 -0.94 -0.07 0.00 -1.25 0.00 0.00 55.69 53.48 1abe s MET 138 Cb -0.12 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 34.17 1abe s MET 138 CO 0.01 -0.50 0.08 0.00 -0.65 0.00 0.00 175.02 173.97 1abe s ALA 139 N 1.47 3.09 -0.40 4.11 0.00 0.73 -0.12 121.76 130.64 1abe s ALA 139 Ca 0.01 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1abe s ALA 139 Cb -0.18 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.81 1abe s ALA 139 CO 0.02 -0.86 0.45 0.42 0.00 0.00 0.00 175.76 175.80 1abe s ILE 140 N 1.52 5.07 0.22 0.00 1.01 -0.37 -1.13 121.20 127.51 1abe s ILE 140 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1abe s ILE 140 Cb -0.17 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1abe s ILE 140 CO 0.03 -0.35 0.02 0.42 0.00 0.00 0.00 174.94 175.05 1abe s THR 141 N 2.22 3.68 -0.44 2.92 -4.23 -0.14 -4.41 115.64 115.23 1abe s THR 141 Ca 0.14 -1.61 0.10 0.00 -1.18 0.00 0.00 61.69 59.13 1abe s THR 141 Cb -0.16 -2.91 0.34 0.00 1.34 0.00 0.00 72.50 71.11 1abe s THR 141 CO 0.14 -0.23 0.80 0.00 -0.54 0.00 0.00 174.62 174.78 1abe n ALA 142 N -0.52 2.91 0.27 3.99 0.00 -1.26 -1.22 120.51 124.69 1abe n ALA 142 Ca -0.08 -3.84 0.18 0.00 0.00 0.00 0.00 53.44 49.69 1abe n ALA 142 Cb 0.57 -0.86 0.94 0.00 0.00 0.00 0.00 19.45 20.10 1abe n ALA 142 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1abe h ASN 143 N 3.01 0.00 1.02 0.00 2.35 -1.93 -1.48 115.58 118.55 1abe h ASN 143 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1abe h ASN 143 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1abe h ASN 143 CO 0.61 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.77 1abe n GLU 144 N -2.74 0.19 -3.62 0.81 4.71 -1.26 -4.44 120.64 114.28 1abe n GLU 144 Ca -0.02 0.29 -0.40 0.00 -0.01 0.00 0.00 57.16 57.02 1abe n GLU 144 Cb 0.09 -1.78 -0.11 0.00 -1.01 0.00 0.00 31.44 28.63 1abe n GLU 144 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1abe s LEU 145 N -4.23 4.53 0.19 -4.62 2.96 -0.56 -4.99 118.68 111.96 1abe s LEU 145 Ca 0.08 -0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 52.99 1abe s LEU 145 Cb 0.11 -2.01 0.20 0.00 0.50 0.00 0.00 46.19 44.99 1abe s LEU 145 CO 0.47 -0.33 1.71 -0.78 -1.32 0.00 0.00 176.35 176.10 1abe h ASP 146 N 8.40 -0.01 -0.83 3.68 3.58 -1.84 0.10 116.42 129.50 1abe h ASP 146 Ca -0.27 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1abe h ASP 146 Cb 1.11 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.25 1abe h ASP 146 CO 0.65 0.02 0.52 0.00 -2.88 0.00 0.00 179.24 177.55 1abe h THR 147 N 0.23 1.23 -0.09 2.25 1.03 -1.94 0.10 112.91 115.72 1abe h THR 147 Ca 0.25 -0.46 -0.02 0.00 -0.01 0.00 0.00 66.41 66.17 1abe h THR 147 Cb 0.35 0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 67.45 1abe h THR 147 CO -0.34 0.23 -0.04 0.00 -0.01 0.00 0.00 175.52 175.37 1abe h ALA 148 N 1.43 0.12 -0.47 0.00 0.00 -1.63 -2.88 119.26 115.82 1abe h ALA 148 Ca 0.30 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1abe h ALA 148 Cb -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1abe h ALA 148 CO -0.06 -0.13 0.25 -0.09 0.00 0.00 0.00 179.25 179.22 1abe h ARG 149 N -0.18 0.48 -0.60 0.00 2.43 -0.45 -1.53 114.38 114.53 1abe h ARG 149 Ca 0.02 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1abe h ARG 149 Cb 0.47 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1abe h ARG 149 CO 0.01 0.32 0.25 0.00 -1.51 0.00 0.00 179.97 179.04 1abe h ARG 150 N 0.49 0.86 0.09 0.20 3.08 -0.84 -0.48 114.38 117.78 1abe h ARG 150 Ca 0.20 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1abe h ARG 150 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1abe h ARG 150 CO -0.13 0.69 -0.04 0.00 -1.07 0.00 0.00 179.97 179.42 1abe h ARG 151 N 0.85 -0.12 -0.51 0.04 3.08 -1.15 -1.35 114.38 115.21 1abe h ARG 151 Ca 0.20 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1abe h ARG 151 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1abe h ARG 151 CO -0.02 0.26 -0.11 1.79 -1.07 0.00 0.00 179.97 180.83 1abe h THR 152 N -0.53 1.27 -0.43 2.04 1.35 -1.19 -0.50 112.91 114.92 1abe h THR 152 Ca -0.01 -1.24 -0.07 0.00 -0.55 0.00 0.00 66.41 64.54 1abe h THR 152 Cb 0.44 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 1abe h THR 152 CO 0.02 0.43 0.01 0.74 -0.25 0.00 0.00 175.52 176.48 1abe h THR 153 N 0.85 1.26 -0.72 6.82 2.02 -1.17 0.56 112.91 122.53 1abe h THR 153 Ca 0.14 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1abe h THR 153 Cb 0.65 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1abe h THR 153 CO 0.04 0.35 0.45 1.23 0.37 0.00 0.00 175.52 177.96 1abe h GLY 154 N 0.59 1.04 0.81 2.16 0.00 -0.97 0.50 103.07 107.21 1abe h GLY 154 Ca 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1abe h GLY 154 CO 0.02 0.28 0.01 0.23 0.00 0.00 0.00 176.54 177.09 1abe h SER 155 N 0.88 0.27 -0.66 0.19 0.87 -0.83 -1.24 113.55 113.03 1abe h SER 155 Ca 0.29 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1abe h SER 155 Cb 0.03 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1abe h SER 155 CO -0.11 0.48 0.13 0.24 -0.53 0.00 0.00 176.83 177.04 1abe h MET 156 N 0.04 1.10 -0.50 2.24 2.86 -0.54 -1.52 114.93 118.60 1abe h MET 156 Ca 0.05 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1abe h MET 156 Cb 0.34 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1abe h MET 156 CO 0.01 0.99 0.12 -0.44 1.06 0.00 0.00 176.91 178.65 1abe h ASP 157 N 1.03 0.71 -0.44 1.22 3.32 -0.78 -1.42 116.42 120.06 1abe h ASP 157 Ca 0.21 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1abe h ASP 157 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1abe h ASP 157 CO 0.01 0.70 -0.23 0.00 -1.72 0.00 0.00 179.24 178.00 1abe h ALA 158 N 1.39 0.61 -0.65 3.45 0.00 -0.88 -0.48 119.26 122.71 1abe h ALA 158 Ca 0.17 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1abe h ALA 158 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1abe h ALA 158 CO -0.00 0.60 0.07 -0.07 0.00 0.00 0.00 179.25 179.85 1abe h LEU 159 N 0.75 1.07 -0.74 0.00 3.38 -0.82 -1.40 115.31 117.55 1abe h LEU 159 Ca 0.10 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1abe h LEU 159 Cb 0.80 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1abe h LEU 159 CO 0.07 1.08 -0.41 0.11 0.09 0.00 0.00 178.44 179.37 1abe h LYS 160 N 1.02 0.47 -0.30 1.13 1.57 -1.13 0.96 116.57 120.29 1abe h LYS 160 Ca 0.19 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1abe h LYS 160 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1abe h LYS 160 CO 0.02 0.80 -0.25 0.00 -0.57 0.00 0.00 179.45 179.45 1abe h ALA 161 N 1.17 1.00 0.00 3.86 0.00 -0.80 -1.80 119.26 122.69 1abe h ALA 161 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1abe h ALA 161 Cb 0.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1abe h ALA 161 CO 0.08 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1abe n ALA 162 N -2.49 2.23 0.00 0.00 0.00 -0.55 -4.87 120.51 114.83 1abe n ALA 162 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1abe n ALA 162 Cb 0.42 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1abe n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1abe n GLY 163 N 0.86 0.80 3.73 0.00 0.00 -0.68 -5.07 105.19 104.83 1abe n GLY 163 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1abe n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1abe s PHE 164 N -2.00 3.29 -0.09 1.61 2.19 0.30 -4.91 117.98 118.38 1abe s PHE 164 Ca 0.00 1.16 -0.35 0.00 0.33 0.00 0.00 56.93 58.07 1abe s PHE 164 Cb 0.00 -3.59 -0.13 0.00 -1.31 0.00 0.00 43.02 37.99 1abe s PHE 164 CO 0.00 -1.92 1.82 -2.30 1.83 0.00 0.00 175.22 174.65 1abe n PRO 165 N 3.21 2.01 -0.13 10.12 -0.02 -1.26 -4.40 135.00 144.53 1abe n PRO 165 Ca 0.08 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 1abe n PRO 165 Cb 0.43 -2.55 0.46 0.00 -0.02 0.00 0.00 33.50 31.82 1abe n PRO 165 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1abe h GLU 166 N 8.50 0.49 0.00 -0.52 5.08 -1.94 -1.04 114.58 125.15 1abe h GLU 166 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1abe h GLU 166 Cb 1.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1abe h GLU 166 CO 0.94 0.33 0.00 0.36 -1.00 0.00 0.00 179.01 179.64 1abe n LYS 167 N -4.48 0.17 -0.67 2.33 2.85 -1.26 -2.45 118.16 114.66 1abe n LYS 167 Ca 0.11 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.51 1abe n LYS 167 Cb 0.38 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.48 1abe n LYS 167 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1abe n GLN 168 N -1.37 2.42 -3.77 -1.58 6.02 -0.39 -4.87 117.38 113.85 1abe n GLN 168 Ca 0.08 -3.01 -0.37 0.00 -0.01 0.00 0.00 57.00 53.68 1abe n GLN 168 Cb 0.18 -1.87 -0.13 0.00 1.02 0.00 0.00 30.24 29.45 1abe n GLN 168 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1abe s ILE 169 N -3.05 3.90 -0.18 5.09 1.01 -1.02 -1.62 121.20 125.32 1abe s ILE 169 Ca 0.45 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1abe s ILE 169 Cb 0.38 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1abe s ILE 169 CO 0.05 0.07 -0.05 -0.31 0.00 0.00 0.00 174.94 174.70 1abe s TYR 170 N 1.49 2.95 -0.04 3.97 2.02 -0.42 -4.98 117.35 122.33 1abe s TYR 170 Ca 0.02 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1abe s TYR 170 Cb -0.17 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1abe s TYR 170 CO 0.02 -0.32 -0.03 -0.65 -1.57 0.00 0.00 175.55 173.00 1abe s GLN 171 N 0.93 2.78 -0.06 -0.62 -0.21 -1.26 -0.19 119.66 121.03 1abe s GLN 171 Ca -0.01 -0.56 -0.03 0.00 0.02 0.00 0.00 55.36 54.79 1abe s GLN 171 Cb -0.15 -2.65 0.04 0.00 1.00 0.00 0.00 33.01 31.26 1abe s GLN 171 CO 0.01 0.65 0.14 0.54 -2.12 0.00 0.00 175.29 174.51 1abe s VAL 172 N -0.93 -0.07 0.33 1.09 0.11 -0.29 -4.94 120.40 115.70 1abe s VAL 172 Ca 0.15 0.20 -0.21 0.00 -2.93 0.00 0.00 61.98 59.19 1abe s VAL 172 Cb -0.11 -0.23 -0.10 0.00 -1.53 0.00 0.00 36.38 34.41 1abe s VAL 172 CO 0.05 0.08 0.85 -2.16 -3.33 0.00 0.00 175.10 170.59 1abe s PRO 173 N 1.25 4.29 0.03 1.54 0.04 -1.26 -0.97 135.00 139.92 1abe s PRO 173 Ca -0.08 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.01 1abe s PRO 173 Cb -0.12 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1abe s PRO 173 CO -0.06 0.20 -0.03 -0.08 0.04 0.00 0.00 177.00 177.07 1abe s THR 174 N -1.82 3.89 -0.18 1.26 -1.32 -0.36 -4.75 115.64 112.38 1abe s THR 174 Ca 0.52 -0.80 0.17 0.00 -1.21 0.00 0.00 61.69 60.37 1abe s THR 174 Cb -0.14 -2.76 0.03 0.00 -1.51 0.00 0.00 72.50 68.13 1abe s THR 174 CO 0.19 0.30 1.27 0.11 -2.21 0.00 0.00 174.62 174.29 1abe h LYS 175 N 4.13 0.00 -3.72 7.08 6.56 -1.89 -3.45 116.57 125.29 1abe h LYS 175 Ca -0.48 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 58.97 1abe h LYS 175 Cb 1.17 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.64 1abe h LYS 175 CO 0.56 0.37 -0.53 -1.54 -2.06 0.00 0.00 179.45 176.26 1abe s SER 176 N -6.19 0.13 -1.24 0.86 1.04 -1.26 -5.06 113.70 101.98 1abe s SER 176 Ca 0.02 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 1abe s SER 176 Cb 0.08 0.21 0.19 0.00 0.10 0.00 0.00 66.02 66.60 1abe s SER 176 CO 0.76 -0.44 1.89 0.59 0.98 0.00 0.00 173.24 177.02 1abe n ASN 177 N 1.08 5.96 -3.23 7.02 3.02 -1.26 -4.21 115.26 123.63 1abe n ASN 177 Ca -0.21 -3.20 -0.11 0.00 -0.03 0.00 0.00 54.58 51.03 1abe n ASN 177 Cb 0.57 -1.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.33 1abe n ASN 177 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1abe s ASP 178 N 0.15 0.33 0.06 6.41 1.47 -1.26 -4.86 116.67 118.96 1abe s ASP 178 Ca 0.40 -1.22 -0.24 0.00 1.18 0.00 0.00 52.55 52.68 1abe s ASP 178 Cb 0.11 0.74 -0.16 0.00 -0.34 0.00 0.00 42.92 43.27 1abe s ASP 178 CO 0.00 -1.46 1.62 0.40 0.68 0.00 0.00 175.17 176.41 1abe h ILE 179 N 2.07 1.05 -0.84 2.11 2.04 -1.91 -2.30 117.51 119.74 1abe h ILE 179 Ca -0.29 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1abe h ILE 179 Cb 1.25 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1abe h ILE 179 CO 0.38 0.07 0.55 -0.65 0.00 0.00 0.00 178.15 178.50 1abe h PRO 180 N -0.16 1.08 -0.30 2.37 0.11 -1.94 0.57 132.00 133.73 1abe h PRO 180 Ca -0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1abe h PRO 180 Cb 0.15 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1abe h PRO 180 CO 0.01 0.71 0.05 0.78 -0.21 0.00 0.00 178.00 179.33 1abe h GLY 181 N 1.11 0.53 1.30 -0.55 0.00 -1.75 -1.88 103.07 101.83 1abe h GLY 181 Ca 0.32 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1abe h GLY 181 CO -0.08 0.33 -0.02 0.00 0.00 0.00 0.00 176.54 176.77 1abe h ALA 182 N 0.88 1.03 0.21 3.60 0.00 -1.22 -1.53 119.26 122.23 1abe h ALA 182 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1abe h ALA 182 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1abe h ALA 182 CO 0.01 0.60 -0.11 0.35 0.00 0.00 0.00 179.25 180.10 1abe h PHE 183 N 0.78 -0.27 -0.70 0.00 3.57 -0.79 0.07 116.94 119.60 1abe h PHE 183 Ca 0.15 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1abe h PHE 183 Cb 0.50 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1abe h PHE 183 CO 0.03 -0.17 0.42 -0.44 -2.23 0.00 0.00 178.31 175.92 1abe h ASP 184 N -0.29 0.67 -0.16 0.41 3.32 -1.10 0.10 116.42 119.37 1abe h ASP 184 Ca -0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1abe h ASP 184 Cb 0.23 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1abe h ASP 184 CO 0.05 0.45 0.04 0.00 -1.72 0.00 0.00 179.24 178.06 1abe h ALA 185 N 1.32 0.20 -0.22 3.45 0.00 -1.05 -2.68 119.26 120.28 1abe h ALA 185 Ca 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1abe h ALA 185 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1abe h ALA 185 CO -0.14 -0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.05 1abe h ALA 186 N 0.85 0.28 -0.63 0.00 0.00 -0.77 -2.55 119.26 116.44 1abe h ALA 186 Ca 0.05 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1abe h ALA 186 Cb 0.25 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1abe h ALA 186 CO -0.00 -0.15 0.30 -0.97 0.00 0.00 0.00 179.25 178.43 1abe h ASN 187 N 0.22 0.39 -0.29 0.00 -1.24 -0.77 0.15 115.58 114.04 1abe h ASN 187 Ca 0.07 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 1abe h ASN 187 Cb 0.13 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1abe h ASN 187 CO -0.01 0.24 0.07 0.77 -1.29 0.00 0.00 177.43 177.21 1abe h SER 188 N 0.54 0.52 -0.06 1.15 4.64 -1.23 -2.54 113.55 116.57 1abe h SER 188 Ca 0.30 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.32 1abe h SER 188 Cb 0.29 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1abe h SER 188 CO -0.24 0.54 -0.84 -0.03 -0.87 0.00 0.00 176.83 175.39 1abe h MET 189 N 0.55 0.68 -0.70 4.77 1.85 -0.90 -3.30 114.93 117.88 1abe h MET 189 Ca 0.12 -0.65 0.06 0.00 -0.61 0.00 0.00 59.70 58.63 1abe h MET 189 Cb 0.25 0.16 -0.06 0.00 0.43 0.00 0.00 31.60 32.38 1abe h MET 189 CO 0.00 1.25 0.39 -0.07 -0.40 0.00 0.00 176.91 178.08 1abe h LEU 190 N 0.36 0.58 -0.40 3.39 3.38 -0.59 -1.76 115.31 120.27 1abe h LEU 190 Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1abe h LEU 190 Cb 1.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1abe h LEU 190 CO 0.17 0.37 0.00 1.33 0.09 0.00 0.00 178.44 180.40 1abe n VAL 191 N -4.77 0.83 0.93 1.22 0.24 -1.08 -1.55 118.33 114.15 1abe n VAL 191 Ca 0.09 0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.71 1abe n VAL 191 Cb 0.19 -1.04 0.36 0.00 -1.47 0.00 0.00 33.84 31.87 1abe n VAL 191 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1abe n GLN 192 N -1.98 0.05 -3.29 7.34 6.02 -0.67 -4.48 117.38 120.38 1abe n GLN 192 Ca 0.03 0.02 -0.25 0.00 -0.01 0.00 0.00 57.00 56.79 1abe n GLN 192 Cb 0.23 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 29.88 1abe n GLN 192 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1abe n HIS 193 N -1.61 1.62 0.30 1.08 8.25 -0.59 -4.90 115.22 119.37 1abe n HIS 193 Ca 0.06 -3.86 0.14 0.00 -0.26 0.00 0.00 57.72 53.80 1abe n HIS 193 Cb 0.35 -0.45 0.65 0.00 1.12 0.00 0.00 29.99 31.67 1abe n HIS 193 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1abe h PRO 194 N 4.01 0.00 0.00 -0.41 0.13 -1.79 -2.37 132.00 131.57 1abe h PRO 194 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1abe h PRO 194 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1abe h PRO 194 CO 0.65 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.47 1abe h GLU 195 N 0.00 0.00 -5.98 0.86 9.09 -1.93 -3.44 114.58 113.17 1abe h GLU 195 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 1abe h GLU 195 Cb 0.24 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.28 1abe h GLU 195 CO 0.00 0.00 0.12 0.08 0.05 0.00 0.00 179.01 179.26 1abe s VAL 196 N -3.27 5.03 -0.04 -1.06 1.01 -0.90 -4.86 120.40 116.31 1abe s VAL 196 Ca 0.07 1.43 0.22 0.00 0.00 0.00 0.00 61.98 63.70 1abe s VAL 196 Cb 0.10 -4.04 -0.33 0.00 0.00 0.00 0.00 36.38 32.11 1abe s VAL 196 CO 0.53 0.21 0.48 0.29 0.00 0.00 0.00 175.10 176.61 1abe n LYS 197 N 4.06 0.66 -3.87 2.72 4.76 0.86 -4.95 118.16 122.40 1abe n LYS 197 Ca -0.01 -0.19 -0.14 0.00 -2.87 0.00 0.00 58.31 55.10 1abe n LYS 197 Cb 0.51 -1.52 -0.15 0.00 -1.84 0.00 0.00 35.03 32.03 1abe n LYS 197 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1abe s HIS 198 N -3.50 0.07 -0.03 2.13 3.76 -0.98 -4.85 115.29 111.90 1abe s HIS 198 Ca -0.08 0.03 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 1abe s HIS 198 Cb 0.14 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.69 1abe s HIS 198 CO 0.91 -0.04 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.98 1abe s TRP 199 N 0.40 1.87 -0.20 1.40 0.52 -0.34 -1.45 118.94 121.14 1abe s TRP 199 Ca -0.03 -0.43 -0.14 0.00 0.02 0.00 0.00 56.10 55.52 1abe s TRP 199 Cb -0.05 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 1abe s TRP 199 CO -0.01 -0.09 0.32 -0.51 0.02 0.00 0.00 176.95 176.69 1abe s LEU 200 N -0.31 4.17 -0.27 2.99 1.43 -0.28 -1.70 118.68 124.72 1abe s LEU 200 Ca 0.03 0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1abe s LEU 200 Cb -0.09 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 1abe s LEU 200 CO 0.00 -0.00 0.08 -0.63 0.23 0.00 0.00 176.35 176.04 1abe s ILE 201 N 1.03 4.27 -0.16 -0.59 1.01 0.24 -0.33 121.20 126.67 1abe s ILE 201 Ca 0.16 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1abe s ILE 201 Cb -0.14 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1abe s ILE 201 CO 0.06 0.24 0.06 -0.69 0.00 0.00 0.00 174.94 174.61 1abe s VAL 202 N 1.59 4.77 0.06 2.92 1.01 0.83 -4.09 120.40 127.49 1abe s VAL 202 Ca 0.05 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 1abe s VAL 202 Cb -0.16 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.17 1abe s VAL 202 CO 0.04 0.50 0.63 -0.83 0.00 0.00 0.00 175.10 175.44 1abe s GLY 203 N 0.02 -0.60 0.45 4.51 0.00 -1.26 -1.23 107.32 109.21 1abe s GLY 203 Ca 0.06 0.87 0.28 0.00 0.00 0.00 0.00 44.72 45.93 1abe s GLY 203 CO 0.01 0.53 1.78 0.00 0.00 0.00 0.00 173.10 175.42 1abe h MET 204 N 2.48 0.00 -3.81 2.90 -0.00 -1.86 -3.44 114.93 111.20 1abe h MET 204 Ca -0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.23 1abe h MET 204 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.76 1abe h MET 204 CO 0.39 0.00 -0.10 0.54 -0.00 0.00 0.00 176.91 177.73 1abe s ASN 205 N -5.72 0.45 0.17 -0.10 2.20 -1.26 -4.48 114.94 106.19 1abe s ASN 205 Ca 0.05 -1.26 -0.14 0.00 -0.94 0.00 0.00 52.86 50.57 1abe s ASN 205 Cb 0.07 0.67 0.11 0.00 -2.00 0.00 0.00 41.25 40.10 1abe s ASN 205 CO 0.59 -1.30 1.77 0.44 -2.94 0.00 0.00 177.10 175.66 1abe h ASP 206 N 2.15 0.25 -0.57 3.54 3.32 -1.13 -1.56 116.42 122.42 1abe h ASP 206 Ca -0.28 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1abe h ASP 206 Cb 1.24 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1abe h ASP 206 CO 0.38 0.18 0.36 0.28 -1.72 0.00 0.00 179.24 178.72 1abe h SER 207 N 0.39 0.68 -0.24 6.45 0.02 -1.91 0.20 113.55 119.14 1abe h SER 207 Ca 0.20 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1abe h SER 207 Cb 0.14 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1abe h SER 207 CO -0.17 0.51 -0.09 0.74 -1.14 0.00 0.00 176.83 176.69 1abe h THR 208 N 0.79 1.29 -0.49 -2.27 2.02 -1.64 -0.61 112.91 112.00 1abe h THR 208 Ca 0.21 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.14 1abe h THR 208 Cb -0.05 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1abe h THR 208 CO -0.04 0.35 -0.16 0.58 0.37 0.00 0.00 175.52 176.62 1abe h VAL 209 N 0.20 1.27 -0.63 3.16 2.07 -0.89 -2.76 116.25 118.67 1abe h VAL 209 Ca 0.06 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1abe h VAL 209 Cb 0.57 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1abe h VAL 209 CO 0.03 0.46 0.37 -0.07 0.02 0.00 0.00 177.57 178.38 1abe h LEU 210 N 0.83 0.58 -0.76 2.57 3.38 -0.50 -0.62 115.31 120.79 1abe h LEU 210 Ca 0.12 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1abe h LEU 210 Cb 0.73 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1abe h LEU 210 CO 0.06 0.40 0.50 1.23 0.09 0.00 0.00 178.44 180.71 1abe h GLY 211 N 0.71 1.08 0.81 0.83 0.00 -0.94 0.98 103.07 106.54 1abe h GLY 211 Ca 0.26 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.20 1abe h GLY 211 CO -0.13 0.40 -0.01 -1.33 0.00 0.00 0.00 176.54 175.47 1abe h GLY 212 N 1.03 0.10 0.97 4.60 0.00 -1.13 -1.05 103.07 107.59 1abe h GLY 212 Ca 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1abe h GLY 212 CO -0.06 -0.03 0.09 -2.08 0.00 0.00 0.00 176.54 174.46 1abe h VAL 213 N 0.02 1.06 -0.91 4.60 2.07 -0.58 -1.46 116.25 121.06 1abe h VAL 213 Ca 0.05 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1abe h VAL 213 Cb 0.07 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1abe h VAL 213 CO -0.10 0.06 0.59 0.03 0.02 0.00 0.00 177.57 178.17 1abe h ARG 214 N 0.16 0.96 -0.61 1.57 2.47 -0.65 -1.63 114.38 116.66 1abe h ARG 214 Ca 0.05 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1abe h ARG 214 Cb 0.02 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 1abe h ARG 214 CO -0.01 0.64 0.12 0.00 0.56 0.00 0.00 179.97 181.28 1abe h ALA 215 N 1.52 0.80 -0.44 0.04 0.00 -0.61 -2.51 119.26 118.07 1abe h ALA 215 Ca 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1abe h ALA 215 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1abe h ALA 215 CO -0.16 0.54 0.17 1.79 0.00 0.00 0.00 179.25 181.60 1abe h THR 216 N 0.90 1.17 -0.42 0.00 1.35 -0.33 -1.98 112.91 113.59 1abe h THR 216 Ca 0.19 -0.52 -0.03 0.00 -0.55 0.00 0.00 66.41 65.50 1abe h THR 216 Cb 0.40 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.44 1abe h THR 216 CO 0.01 0.20 0.16 -0.33 -0.25 0.00 0.00 175.52 175.31 1abe h GLU 217 N 0.62 0.63 0.00 4.72 5.08 -1.26 -0.63 114.58 123.75 1abe h GLU 217 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1abe h GLU 217 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1abe h GLU 217 CO -0.02 0.60 0.00 0.78 -1.00 0.00 0.00 179.01 179.37 1abe h GLY 218 N 0.53 0.00 -2.82 -3.84 0.00 -0.93 -2.31 103.07 93.70 1abe h GLY 218 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1abe h GLY 218 CO -0.01 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.52 1abe n GLN 219 N -2.49 3.85 -1.42 4.80 1.13 -0.84 -4.96 117.38 117.45 1abe n GLN 219 Ca 0.01 -3.05 -0.06 0.00 -1.94 0.00 0.00 57.00 51.97 1abe n GLN 219 Cb 0.20 -2.09 -0.02 0.00 0.11 0.00 0.00 30.24 28.44 1abe n GLN 219 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1abe n GLY 220 N -0.01 0.63 3.80 1.08 0.00 -0.87 -5.04 105.19 104.77 1abe n GLY 220 Ca 0.28 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 1abe n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1abe s PHE 221 N -2.23 3.67 0.55 1.61 0.40 -0.30 -5.02 117.98 116.66 1abe s PHE 221 Ca 0.00 0.97 -0.07 0.00 -0.60 0.00 0.00 56.93 57.23 1abe s PHE 221 Cb 0.00 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1abe s PHE 221 CO 0.00 0.49 0.90 -1.59 0.70 0.00 0.00 175.22 175.72 1abe s LYS 222 N -0.56 3.43 0.40 0.44 -2.85 -1.26 -4.36 119.74 114.99 1abe s LYS 222 Ca 0.24 0.36 0.14 0.00 -1.00 0.00 0.00 55.97 55.71 1abe s LYS 222 Cb -0.16 -2.25 0.99 0.00 -2.06 0.00 0.00 37.83 34.35 1abe s LYS 222 CO 0.13 -0.44 1.89 0.00 0.10 0.00 0.00 175.35 177.03 1abe h ALA 223 N -0.06 2.05 0.00 0.59 0.00 -1.90 -0.93 119.26 119.01 1abe h ALA 223 Ca -0.46 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1abe h ALA 223 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1abe h ALA 223 CO 0.62 -0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.55 1abe h ALA 224 N 1.63 1.67 -0.43 0.00 0.00 -1.93 -2.26 119.26 117.94 1abe h ALA 224 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1abe h ALA 224 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1abe h ALA 224 CO -0.15 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 178.89 1abe n ASP 225 N -4.11 2.45 -4.04 0.00 8.00 -0.35 -4.87 116.55 113.62 1abe n ASP 225 Ca -0.03 -1.96 -0.20 0.00 0.71 0.00 0.00 54.79 53.31 1abe n ASP 225 Cb 0.12 -0.28 -0.15 0.00 -0.02 0.00 0.00 41.12 40.79 1abe n ASP 225 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1abe s ILE 226 N -1.43 0.86 -0.15 0.53 -1.09 -0.85 -1.20 121.20 117.86 1abe s ILE 226 Ca 0.32 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1abe s ILE 226 Cb 0.17 -0.73 0.05 0.00 -1.58 0.00 0.00 42.46 40.37 1abe s ILE 226 CO 0.22 0.25 0.02 -0.63 -1.23 0.00 0.00 174.94 173.57 1abe s ILE 227 N -0.14 0.52 -0.09 2.92 1.01 -0.69 -4.62 121.20 120.12 1abe s ILE 227 Ca 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1abe s ILE 227 Cb -0.05 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1abe s ILE 227 CO -0.00 -0.02 -0.16 -0.83 0.00 0.00 0.00 174.94 173.94 1abe s GLY 228 N 1.88 0.99 -0.24 6.18 0.00 -0.32 -0.59 107.32 115.21 1abe s GLY 228 Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1abe s GLY 228 CO -0.07 0.07 -0.12 -0.42 0.00 0.00 0.00 173.10 172.56 1abe s ILE 229 N 0.72 2.26 0.44 0.90 1.01 -1.26 -0.80 121.20 124.47 1abe s ILE 229 Ca -0.13 -1.37 -0.06 0.00 0.00 0.00 0.00 60.65 59.09 1abe s ILE 229 Cb -0.16 -2.21 0.10 0.00 0.01 0.00 0.00 42.46 40.20 1abe s ILE 229 CO 0.03 0.14 0.60 0.61 0.00 0.00 0.00 174.94 176.32 1abe n GLY 230 N 4.52 -0.82 2.88 6.18 0.00 0.17 -4.77 105.19 113.34 1abe n GLY 230 Ca -0.16 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 1abe n GLY 230 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1abe s ILE 231 N -2.14 0.32 0.00 -0.61 1.01 -1.26 -0.70 121.20 117.82 1abe s ILE 231 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1abe s ILE 231 Cb -0.01 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1abe s ILE 231 CO 0.24 0.15 0.00 0.59 0.00 0.00 0.00 174.94 175.92 1abe n ASN 232 N 3.75 0.00 0.00 3.58 3.02 -0.36 -0.53 115.26 124.72 1abe n ASN 232 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1abe n ASN 232 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1abe n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1abe n GLY 233 N 0.00 1.76 0.29 7.41 0.00 -1.18 -4.26 105.19 109.22 1abe n GLY 233 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1abe n GLY 233 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1abe h VAL 234 N 0.00 0.93 0.00 1.61 -1.51 -1.95 -0.68 116.25 114.65 1abe h VAL 234 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1abe h VAL 234 Cb 0.00 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1abe h VAL 234 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 1abe n ASP 235 N -4.50 0.50 -1.14 4.19 8.00 -1.26 -3.34 116.55 119.00 1abe n ASP 235 Ca 0.00 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.19 1abe n ASP 235 Cb 0.23 -0.70 0.26 0.00 -0.02 0.00 0.00 41.12 40.89 1abe n ASP 235 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1abe n ALA 236 N -1.69 2.42 -0.21 2.24 0.00 -0.26 -4.50 120.51 118.51 1abe n ALA 236 Ca 0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 53.44 52.42 1abe n ALA 236 Cb 0.32 -0.92 0.12 0.00 0.00 0.00 0.00 19.45 18.97 1abe n ALA 236 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1abe h VAL 237 N 4.15 1.25 -0.05 0.00 2.07 -1.59 -1.75 116.25 120.32 1abe h VAL 237 Ca 0.00 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1abe h VAL 237 Cb 0.92 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1abe h VAL 237 CO 0.00 0.33 -0.24 0.77 0.02 0.00 0.00 177.57 178.45 1abe h SER 238 N 0.99 0.09 -0.19 0.57 4.64 -1.86 -2.21 113.55 115.57 1abe h SER 238 Ca 0.22 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.38 1abe h SER 238 Cb 0.28 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1abe h SER 238 CO -0.01 0.33 -0.43 -0.08 -0.87 0.00 0.00 176.83 175.77 1abe h GLU 239 N 0.08 0.62 0.00 4.77 4.57 -1.65 -3.22 114.58 119.75 1abe h GLU 239 Ca 0.01 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 1abe h GLU 239 Cb 0.47 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1abe h GLU 239 CO 0.03 1.04 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.73 1abe h LEU 240 N 0.30 0.00 -0.01 1.64 3.38 -1.23 -2.88 115.31 116.51 1abe h LEU 240 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1abe h LEU 240 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1abe h LEU 240 CO 0.09 0.10 -0.29 -1.20 0.09 0.00 0.00 178.44 177.24 1abe n SER 241 N -3.37 0.31 -4.72 -0.43 7.64 -0.85 -4.77 113.62 107.43 1abe n SER 241 Ca -0.01 0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.58 1abe n SER 241 Cb 0.28 -0.06 0.13 0.00 -1.01 0.00 0.00 64.21 63.55 1abe n SER 241 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1abe s LYS 242 N -2.98 1.68 0.06 1.43 1.02 -1.09 -4.95 119.74 114.91 1abe s LYS 242 Ca 0.13 1.46 -0.25 0.00 0.02 0.00 0.00 55.97 57.33 1abe s LYS 242 Cb 0.18 -1.81 -0.17 0.00 -0.52 0.00 0.00 37.83 35.52 1abe s LYS 242 CO 0.62 -2.12 1.60 0.00 -0.92 0.00 0.00 175.35 174.53 1abe h ALA 243 N -1.29 -0.16 -2.54 5.17 0.00 -1.92 -3.44 119.26 115.08 1abe h ALA 243 Ca -0.44 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 53.84 1abe h ALA 243 Cb 1.26 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1abe h ALA 243 CO 0.47 -0.53 -0.12 -0.65 0.00 0.00 0.00 179.25 178.41 1abe s GLN 244 N -5.72 3.82 0.50 0.00 -0.21 -1.26 -5.08 119.66 111.72 1abe s GLN 244 Ca -0.14 0.30 -0.19 0.00 0.02 0.00 0.00 55.36 55.35 1abe s GLN 244 Cb 0.05 -2.71 -0.08 0.00 1.00 0.00 0.00 33.01 31.27 1abe s GLN 244 CO 0.65 0.36 1.02 0.00 -2.12 0.00 0.00 175.29 175.20 1abe s ALA 245 N -1.74 2.89 0.33 6.09 0.00 -1.26 -5.04 121.76 123.03 1abe s ALA 245 Ca 0.45 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.93 1abe s ALA 245 Cb -0.12 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1abe s ALA 245 CO 0.21 -0.35 0.11 0.25 0.00 0.00 0.00 175.76 175.98 1abe n THR 246 N -1.21 0.00 0.33 0.00 -2.24 -1.26 -4.91 114.28 104.99 1abe n THR 246 Ca 0.09 -1.87 0.11 0.00 -2.27 0.00 0.00 64.05 60.11 1abe n THR 246 Cb 0.53 0.66 0.50 0.00 -2.10 0.00 0.00 70.33 69.91 1abe n THR 246 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1abe n GLY 247 N -0.11 -1.14 3.50 3.38 0.00 -1.26 -4.25 105.19 105.31 1abe n GLY 247 Ca -0.05 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1abe n GLY 247 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1abe s PHE 248 N -3.36 2.65 0.12 1.61 2.19 -1.26 -1.18 117.98 118.75 1abe s PHE 248 Ca 0.02 -0.26 -0.02 0.00 0.33 0.00 0.00 56.93 57.01 1abe s PHE 248 Cb 0.08 -4.27 -0.13 0.00 -1.31 0.00 0.00 43.02 37.39 1abe s PHE 248 CO 0.33 -1.61 1.28 -0.92 1.83 0.00 0.00 175.22 176.12 1abe h TYR 249 N 9.55 0.45 -1.48 10.12 3.20 -1.15 -3.47 116.97 134.18 1abe h TYR 249 Ca -0.28 -0.27 0.10 0.00 3.14 0.00 0.00 58.73 61.43 1abe h TYR 249 Cb 1.07 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1abe h TYR 249 CO 0.98 1.13 0.27 0.41 -1.64 0.00 0.00 178.16 179.31 1abe n GLY 250 N 1.11 0.54 3.19 1.82 0.00 -1.22 -4.22 105.19 106.41 1abe n GLY 250 Ca -0.06 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1abe n GLY 250 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1abe s SER 251 N -1.87 -0.12 -0.27 1.61 0.15 0.76 -0.66 113.70 113.31 1abe s SER 251 Ca 0.09 -0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 1abe s SER 251 Cb -0.00 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1abe s SER 251 CO -0.00 -0.42 0.56 -0.76 1.20 0.00 0.00 173.24 173.82 1abe s LEU 252 N -1.33 4.08 -0.48 3.45 1.43 0.13 -0.68 118.68 125.28 1abe s LEU 252 Ca -0.14 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.30 1abe s LEU 252 Cb -0.06 -2.73 0.05 0.00 0.03 0.00 0.00 46.19 43.48 1abe s LEU 252 CO 0.03 -0.34 0.57 -0.22 0.23 0.00 0.00 176.35 176.62 1abe s LEU 253 N 2.40 4.94 0.00 1.79 2.96 0.12 -1.22 118.68 129.67 1abe s LEU 253 Ca 0.23 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1abe s LEU 253 Cb -0.15 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.09 1abe s LEU 253 CO 0.09 -0.79 0.00 -2.65 -1.32 0.00 0.00 176.35 171.68 1abe n PRO 254 N 5.98 2.32 -3.38 0.98 -0.02 -1.26 -1.91 135.00 137.71 1abe n PRO 254 Ca -0.07 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.15 1abe n PRO 254 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.86 1abe n PRO 254 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1abe n SER 255 N 0.00 2.79 0.23 2.55 7.64 -1.26 -4.88 113.62 120.69 1abe n SER 255 Ca 0.00 -3.24 0.10 0.00 1.01 0.00 0.00 58.87 56.75 1abe n SER 255 Cb 0.00 -0.66 0.67 0.00 -1.01 0.00 0.00 64.21 63.21 1abe n SER 255 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1abe h PRO 256 N 4.19 0.00 -0.18 1.43 0.13 -1.92 -0.92 132.00 134.73 1abe h PRO 256 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1abe h PRO 256 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1abe h PRO 256 CO 0.73 0.00 0.09 0.38 -0.23 0.00 0.00 178.00 178.97 1abe h ASP 257 N 0.00 0.24 -0.39 1.44 2.03 -1.90 -0.10 116.42 117.74 1abe h ASP 257 Ca 0.03 -0.13 -0.01 0.00 -0.73 0.00 0.00 57.03 56.20 1abe h ASP 257 Cb 0.13 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.55 1abe h ASP 257 CO -0.00 0.30 0.21 0.58 -1.03 0.00 0.00 179.24 179.30 1abe h VAL 258 N 0.16 1.15 -0.44 4.15 2.07 -1.66 -1.81 116.25 119.88 1abe h VAL 258 Ca 0.06 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1abe h VAL 258 Cb 0.12 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1abe h VAL 258 CO -0.01 0.16 0.26 0.45 0.02 0.00 0.00 177.57 178.45 1abe h HIS 259 N 0.50 0.48 -0.15 1.57 3.86 -0.93 0.14 115.15 120.61 1abe h HIS 259 Ca 0.14 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1abe h HIS 259 Cb 0.07 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1abe h HIS 259 CO -0.02 0.28 -0.02 0.78 0.86 0.00 0.00 177.93 179.81 1abe h GLY 260 N 0.52 0.31 0.59 2.45 0.00 -0.89 -2.19 103.07 103.86 1abe h GLY 260 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1abe h GLY 260 CO -0.08 0.22 -0.07 -1.82 0.00 0.00 0.00 176.54 174.78 1abe h TYR 261 N 0.01 -0.18 -0.45 5.60 5.03 -1.24 -3.04 116.97 122.69 1abe h TYR 261 Ca 0.04 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1abe h TYR 261 Cb 0.42 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.74 1abe h TYR 261 CO 0.04 0.20 0.15 -0.22 -1.32 0.00 0.00 178.16 177.01 1abe h LYS 262 N -0.61 0.70 -0.63 1.82 3.64 -0.82 0.20 116.57 120.87 1abe h LYS 262 Ca -0.02 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 1abe h LYS 262 Cb 0.46 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1abe h LYS 262 CO 0.03 0.67 0.08 0.66 -2.27 0.00 0.00 179.45 178.62 1abe h SER 263 N 0.60 1.01 -0.09 4.20 4.64 -1.51 -1.05 113.55 121.35 1abe h SER 263 Ca 0.15 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1abe h SER 263 Cb 0.25 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1abe h SER 263 CO -0.01 1.01 0.04 0.28 -0.87 0.00 0.00 176.83 177.29 1abe h SER 264 N 0.98 0.13 -0.37 4.97 0.02 -1.36 -2.10 113.55 115.82 1abe h SER 264 Ca 0.19 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1abe h SER 264 Cb 0.45 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1abe h SER 264 CO 0.02 0.24 0.20 -0.08 -1.14 0.00 0.00 176.83 176.07 1abe h GLU 265 N 0.00 0.40 -0.84 3.45 4.81 -0.43 -1.80 114.58 120.17 1abe h GLU 265 Ca 0.03 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1abe h GLU 265 Cb 0.15 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1abe h GLU 265 CO -0.00 0.26 0.42 0.52 -0.73 0.00 0.00 179.01 179.48 1abe h MET 266 N 0.41 1.20 0.03 1.92 2.86 -1.17 -0.44 114.93 119.74 1abe h MET 266 Ca 0.15 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1abe h MET 266 Cb 0.03 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 1abe h MET 266 CO -0.08 0.91 -0.02 1.25 1.06 0.00 0.00 176.91 180.03 1abe h LEU 267 N 1.19 -0.04 0.39 1.22 5.85 -1.01 -1.91 115.31 121.00 1abe h LEU 267 Ca 0.29 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1abe h LEU 267 Cb 0.09 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1abe h LEU 267 CO -0.04 -0.03 -0.49 0.22 -0.34 0.00 0.00 178.44 177.76 1abe h TYR 268 N -0.05 -1.37 -0.98 1.25 3.20 -1.17 0.23 116.97 118.08 1abe h TYR 268 Ca -0.00 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.03 1abe h TYR 268 Cb 0.04 0.55 -0.09 0.00 1.54 0.00 0.00 36.73 38.76 1abe h TYR 268 CO -0.08 -0.64 0.60 -0.91 -1.64 0.00 0.00 178.16 175.49 1abe h ASN 269 N -0.91 0.83 -0.21 -2.11 2.35 -1.03 0.43 115.58 114.93 1abe h ASN 269 Ca -0.04 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1abe h ASN 269 Cb 0.83 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1abe h ASN 269 CO -0.12 0.39 -0.07 -0.25 -1.65 0.00 0.00 177.43 175.73 1abe h TRP 270 N 0.88 0.48 -0.08 1.19 7.01 -0.92 -0.11 115.95 124.40 1abe h TRP 270 Ca 0.52 -0.11 -0.17 0.00 2.11 0.00 0.00 58.89 61.23 1abe h TRP 270 Cb 0.64 -0.11 0.01 0.00 -2.10 0.00 0.00 29.16 27.59 1abe h TRP 270 CO -0.01 0.69 -0.62 0.28 -2.79 0.00 0.00 178.44 175.98 1abe h VAL 271 N 0.14 1.35 0.00 2.65 2.07 0.75 -1.68 116.25 121.54 1abe h VAL 271 Ca 0.05 -1.94 -0.10 0.00 0.82 0.00 0.00 66.70 65.53 1abe h VAL 271 Cb 0.54 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1abe h VAL 271 CO 0.03 0.59 -0.77 0.00 0.02 0.00 0.00 177.57 177.44 1abe h ALA 272 N 0.45 0.68 0.00 1.67 0.00 -0.29 -3.40 119.26 118.37 1abe h ALA 272 Ca -0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1abe h ALA 272 Cb 1.28 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 1abe h ALA 272 CO 0.13 0.60 -0.71 1.63 0.00 0.00 0.00 179.25 180.89 1abe n LYS 273 N -3.07 0.00 -4.50 0.00 5.02 -0.10 -4.99 118.16 110.52 1abe n LYS 273 Ca -0.01 -1.40 -0.41 0.00 -2.02 0.00 0.00 58.31 54.47 1abe n LYS 273 Cb 0.73 -0.27 -0.08 0.00 -0.02 0.00 0.00 35.03 35.38 1abe n LYS 273 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1abe n ASP 274 N 0.21 -1.40 -4.48 4.39 2.03 -0.63 -4.84 116.55 111.82 1abe n ASP 274 Ca 0.02 -1.25 -0.43 0.00 0.52 0.00 0.00 54.79 53.65 1abe n ASP 274 Cb 0.88 -1.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.59 1abe n ASP 274 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1abe s VAL 275 N -3.44 4.84 -0.14 5.18 1.01 -0.93 -4.94 120.40 121.98 1abe s VAL 275 Ca 0.70 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 1abe s VAL 275 Cb -0.41 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 1abe s VAL 275 CO 1.02 -0.73 1.95 -1.61 0.00 0.00 0.00 175.10 175.73 1abe s GLU 276 N 2.75 3.65 0.66 2.72 0.41 -1.26 -2.96 118.70 124.67 1abe s GLU 276 Ca 0.18 2.09 -0.15 0.00 -0.41 0.00 0.00 54.97 56.68 1abe s GLU 276 Cb -0.17 -4.20 -0.00 0.00 -1.78 0.00 0.00 34.13 27.98 1abe s GLU 276 CO 0.15 -1.50 1.11 -2.14 -0.49 0.00 0.00 175.26 172.39 1abe s PRO 277 N 5.24 2.82 0.72 0.39 0.02 -1.26 -4.99 135.00 137.95 1abe s PRO 277 Ca 0.88 1.39 -0.16 0.00 0.02 0.00 0.00 61.00 63.12 1abe s PRO 277 Cb -0.33 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.26 1abe s PRO 277 CO 0.35 -1.23 1.17 -0.35 -0.33 0.00 0.00 177.00 176.61 1abe n PRO 278 N -2.40 0.65 0.18 5.54 -0.04 -1.26 -4.89 135.00 132.79 1abe n PRO 278 Ca 0.10 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.90 1abe n PRO 278 Cb 0.52 -2.41 0.32 0.00 -0.04 0.00 0.00 33.50 31.88 1abe n PRO 278 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1abe h LYS 279 N -0.13 0.00 -3.26 0.54 1.79 -1.91 -3.41 116.57 110.18 1abe h LYS 279 Ca -0.48 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.71 1abe h LYS 279 Cb 1.33 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.64 1abe h LYS 279 CO 0.49 0.39 -0.64 0.12 -1.08 0.00 0.00 179.45 178.73 1abe s PHE 280 N -3.57 -0.12 -0.22 -1.35 5.36 -1.26 -1.49 117.98 115.33 1abe s PHE 280 Ca 0.00 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.43 1abe s PHE 280 Cb 0.11 -0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 1abe s PHE 280 CO 0.69 -0.18 -0.12 0.99 -1.46 0.00 0.00 175.22 175.14 1abe s THR 281 N 1.49 1.94 -0.18 0.12 2.01 0.32 -4.98 115.64 116.36 1abe s THR 281 Ca -0.05 -1.28 -0.05 0.00 0.31 0.00 0.00 61.69 60.62 1abe s THR 281 Cb -0.12 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1abe s THR 281 CO -0.05 0.14 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.31 1abe s GLU 282 N 1.25 3.67 -0.25 4.92 2.12 -1.26 -1.13 118.70 128.02 1abe s GLU 282 Ca -0.04 -0.50 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 1abe s GLU 282 Cb -0.17 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1abe s GLU 282 CO -0.08 0.11 0.22 0.08 -0.54 0.00 0.00 175.26 175.05 1abe s VAL 283 N 0.73 5.31 -2.34 3.70 1.01 0.40 -4.89 120.40 124.32 1abe s VAL 283 Ca -0.00 0.28 0.24 0.00 0.00 0.00 0.00 61.98 62.50 1abe s VAL 283 Cb -0.14 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 32.81 1abe s VAL 283 CO 0.02 0.29 1.25 0.35 0.00 0.00 0.00 175.10 177.01 1abe n THR 284 N 4.60 0.00 -1.65 3.92 -2.24 -1.26 -1.62 114.28 116.03 1abe n THR 284 Ca -0.13 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1abe n THR 284 Cb 0.52 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.90 1abe n THR 284 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1abe n ASP 285 N 0.34 2.12 -3.62 3.42 8.00 -1.26 -4.90 116.55 120.65 1abe n ASP 285 Ca 0.12 1.20 -0.10 0.00 0.71 0.00 0.00 54.79 56.71 1abe n ASP 285 Cb 0.49 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.12 1abe n ASP 285 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1abe s VAL 286 N -1.07 0.00 -0.05 2.53 0.11 -1.26 -4.36 120.40 116.30 1abe s VAL 286 Ca 0.57 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.57 1abe s VAL 286 Cb -0.63 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1abe s VAL 286 CO 0.61 0.00 0.13 0.54 -3.33 0.00 0.00 175.10 173.05 1abe s VAL 287 N -0.08 -0.00 -0.15 2.04 0.11 -0.80 -4.96 120.40 116.55 1abe s VAL 287 Ca 0.02 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.83 1abe s VAL 287 Cb -0.04 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1abe s VAL 287 CO -0.04 0.00 0.78 -0.22 -3.33 0.00 0.00 175.10 172.29 1abe s LEU 288 N 0.08 4.20 -0.09 2.54 2.96 -1.26 0.15 118.68 127.27 1abe s LEU 288 Ca -0.00 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1abe s LEU 288 Cb -0.01 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 1abe s LEU 288 CO 0.00 -0.32 -0.14 0.27 -1.32 0.00 0.00 176.35 174.84 1abe s ILE 289 N 1.83 3.00 0.28 6.68 -4.36 0.15 -4.96 121.20 123.82 1abe s ILE 289 Ca 0.37 -0.72 0.03 0.00 -0.26 0.00 0.00 60.65 60.07 1abe s ILE 289 Cb -0.17 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 1abe s ILE 289 CO 0.13 0.56 0.10 0.35 0.24 0.00 0.00 174.94 176.32 1abe n THR 290 N 2.90 0.00 -0.03 8.37 -2.24 -1.26 -0.17 114.28 121.85 1abe n THR 290 Ca -0.18 -1.63 0.03 0.00 -2.27 0.00 0.00 64.05 60.01 1abe n THR 290 Cb 0.52 0.58 0.40 0.00 -2.10 0.00 0.00 70.33 69.73 1abe n THR 290 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1abe h ARG 291 N 0.00 0.60 -0.31 -0.78 3.08 -1.86 -1.80 114.38 113.31 1abe h ARG 291 Ca -0.22 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.67 1abe h ARG 291 Cb 0.83 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1abe h ARG 291 CO 0.35 0.40 -0.32 -0.44 -1.07 0.00 0.00 179.97 178.89 1abe h ASP 292 N 0.62 0.69 0.00 7.04 3.32 -1.94 -3.38 116.42 122.77 1abe h ASP 292 Ca 0.17 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1abe h ASP 292 Cb -0.06 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1abe h ASP 292 CO -0.04 0.96 0.00 -0.46 -1.72 0.00 0.00 179.24 177.98 1abe n ASN 293 N -4.07 1.30 -0.23 6.45 6.94 -1.11 -4.84 115.26 119.70 1abe n ASN 293 Ca -0.01 -1.54 -0.04 0.00 -0.02 0.00 0.00 54.58 52.97 1abe n ASN 293 Cb 0.48 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.96 1abe n ASN 293 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1abe h PHE 294 N 0.00 0.75 -0.14 -2.53 -0.00 -1.51 0.69 116.94 114.20 1abe h PHE 294 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.99 1abe h PHE 294 Cb 0.49 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 36.18 1abe h PHE 294 CO 0.00 0.43 0.09 0.87 -0.00 0.00 0.00 178.31 179.70 1abe h LYS 295 N 0.79 0.18 -0.22 6.09 1.57 -1.88 -0.89 116.57 122.21 1abe h LYS 295 Ca 0.26 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1abe h LYS 295 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1abe h LYS 295 CO -0.11 0.12 0.05 0.93 -0.57 0.00 0.00 179.45 179.87 1abe h GLU 296 N 0.18 0.13 -0.50 3.15 5.08 -1.85 -0.76 114.58 120.02 1abe h GLU 296 Ca 0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1abe h GLU 296 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1abe h GLU 296 CO -0.02 0.09 0.18 0.93 -1.00 0.00 0.00 179.01 179.19 1abe h GLU 297 N 0.14 0.76 -0.57 2.33 4.39 -0.61 -0.40 114.58 120.62 1abe h GLU 297 Ca 0.10 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1abe h GLU 297 Cb 0.09 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1abe h GLU 297 CO -0.13 0.69 0.04 -0.07 -1.16 0.00 0.00 179.01 178.38 1abe h LEU 298 N 0.67 0.92 -0.38 1.33 3.38 -0.97 -2.62 115.31 117.64 1abe h LEU 298 Ca 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1abe h LEU 298 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1abe h LEU 298 CO -0.01 0.96 0.11 -0.33 0.09 0.00 0.00 178.44 179.26 1abe h GLU 299 N 0.89 0.59 -0.15 1.13 3.07 -0.93 -0.06 114.58 119.12 1abe h GLU 299 Ca 0.17 -0.13 0.04 0.00 -0.50 0.00 0.00 59.36 58.94 1abe h GLU 299 Cb 0.47 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1abe h GLU 299 CO 0.02 0.61 0.16 -0.22 -1.40 0.00 0.00 179.01 178.17 1abe h LYS 300 N 0.46 0.00 -0.49 2.33 3.64 -0.82 -1.44 116.57 120.25 1abe h LYS 300 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1abe h LYS 300 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1abe h LYS 300 CO -0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 1abe n LYS 301 N -3.89 2.56 -0.99 1.90 5.02 -0.98 -4.95 118.16 116.83 1abe n LYS 301 Ca 0.01 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 1abe n LYS 301 Cb 0.27 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1abe n LYS 301 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1abe n GLY 302 N 1.52 0.76 2.12 0.72 0.00 -0.54 -4.88 105.19 104.89 1abe n GLY 302 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1abe n GLY 302 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1abe n LEU 303 N 0.00 7.02 -4.53 0.99 4.77 -0.07 -5.00 117.00 120.18 1abe n LEU 303 Ca 0.00 -3.77 -0.60 0.00 -0.03 0.00 0.00 56.01 51.61 1abe n LEU 303 Cb 0.01 -0.98 -0.08 0.00 -2.33 0.00 0.00 43.42 40.04 1abe n LEU 303 CO 0.00 1.31 0.64 0.61 -1.33 0.00 0.00 177.39 178.62 1abe n GLY 304 N -0.44 -0.21 0.00 -0.72 0.00 -1.24 -4.63 105.19 97.95 1abe n GLY 304 Ca 0.49 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.29 1abe n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1abe n GLY 305 N 1.79 3.17 0.00 -0.02 0.00 -1.26 -5.03 105.19 103.83 1abe n GLY 305 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1abe n GLY 305 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49