#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dby h TYR 6 N 0.00 -1.57 -0.72 -2.53 3.20 -1.91 -2.37 116.97 111.08 3dby h TYR 6 Ca 0.00 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.02 3dby h TYR 6 Cb 0.00 0.68 -0.12 0.00 1.54 0.00 0.00 36.73 38.83 3dby h TYR 6 CO 0.00 -0.59 -0.42 1.49 -1.64 0.00 0.00 178.16 177.00 3dby h GLU 7 N -0.71 -0.14 -0.30 1.82 4.57 -1.97 0.31 114.58 118.17 3dby h GLU 7 Ca 0.01 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3dby h GLU 7 Cb 0.74 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3dby h GLU 7 CO -0.33 -0.09 0.20 0.93 -1.18 0.00 0.00 179.01 178.53 3dby h GLU 8 N -0.14 0.40 -0.23 1.92 5.08 -1.95 0.49 114.58 120.14 3dby h GLU 8 Ca 0.23 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 3dby h GLU 8 Cb 0.55 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 3dby h GLU 8 CO -0.78 0.27 -0.24 1.03 -1.00 0.00 0.00 179.01 178.29 3dby h SER 9 N 0.41 -0.78 0.03 1.42 0.87 -0.76 -1.16 113.55 113.58 3dby h SER 9 Ca 0.11 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3dby h SER 9 Cb -0.04 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3dby h SER 9 CO -0.02 -0.28 -0.02 0.00 -0.53 0.00 0.00 176.83 175.98 3dby h ALA 10 N 0.78 -0.04 -1.00 6.23 0.00 -0.25 -1.96 119.26 123.02 3dby h ALA 10 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3dby h ALA 10 Cb 0.46 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3dby h ALA 10 CO -0.38 -0.42 0.64 -0.07 0.00 0.00 0.00 179.25 179.02 3dby h LEU 11 N -0.25 1.02 -0.28 0.00 3.38 -0.80 -1.04 115.31 117.33 3dby h LEU 11 Ca -0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3dby h LEU 11 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dby h LEU 11 CO 0.01 0.64 0.00 0.15 0.09 0.00 0.00 178.44 179.33 3dby h PHE 12 N 1.15 0.54 0.49 1.13 3.57 -1.11 -1.39 116.94 121.32 3dby h PHE 12 Ca 0.44 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 3dby h PHE 12 Cb 0.21 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3dby h PHE 12 CO -0.00 0.64 -0.23 0.93 -2.23 0.00 0.00 178.31 177.41 3dby h GLU 13 N 0.28 -0.63 -0.66 1.11 4.39 -0.95 -1.99 114.58 116.14 3dby h GLU 13 Ca 0.08 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.86 3dby h GLU 13 Cb 0.42 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 3dby h GLU 13 CO 0.01 -0.33 0.44 0.45 -1.16 0.00 0.00 179.01 178.42 3dby h HIS 14 N -0.94 0.74 -0.07 4.33 3.86 -1.27 0.12 115.15 121.92 3dby h HIS 14 Ca -0.07 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3dby h HIS 14 Cb 0.60 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 3dby h HIS 14 CO 0.01 0.43 -0.01 1.96 0.86 0.00 0.00 177.93 181.18 3dby h GLN 15 N 0.76 0.13 0.80 2.45 4.20 -1.18 -0.19 115.11 122.08 3dby h GLN 15 Ca 0.27 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3dby h GLN 15 Cb 0.11 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.89 3dby h GLN 15 CO -0.08 0.43 -0.38 0.35 -0.67 0.00 0.00 178.83 178.48 3dby h PHE 16 N -0.17 -0.99 -0.51 2.96 3.57 -1.09 -2.95 116.94 117.75 3dby h PHE 16 Ca 0.02 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3dby h PHE 16 Cb 0.38 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3dby h PHE 16 CO 0.04 -0.62 0.06 -1.49 -2.23 0.00 0.00 178.31 174.08 3dby h TRP 17 N -1.07 0.93 -0.09 0.41 4.06 -1.02 -1.71 115.95 117.45 3dby h TRP 17 Ca -0.11 -0.14 -0.07 0.00 2.06 0.00 0.00 58.89 60.64 3dby h TRP 17 Cb 0.82 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 3dby h TRP 17 CO -0.02 0.85 -0.24 -0.07 -3.56 0.00 0.00 178.44 175.40 3dby h LEU 18 N 0.74 0.16 -0.05 -4.49 3.38 -1.13 0.16 115.31 114.08 3dby h LEU 18 Ca 0.15 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 3dby h LEU 18 Cb 0.43 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.16 3dby h LEU 18 CO 0.01 0.41 -1.02 0.50 0.09 0.00 0.00 178.44 178.43 3dby h LYS 19 N 0.15 0.60 -0.83 1.13 1.63 -1.34 -2.17 116.57 115.74 3dby h LYS 19 Ca 0.03 -0.65 0.03 0.00 -0.85 0.00 0.00 60.65 59.21 3dby h LYS 19 Cb 0.51 0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 32.28 3dby h LYS 19 CO 0.04 1.26 0.53 0.28 -3.45 0.00 0.00 179.45 178.10 3dby h VAL 20 N 0.33 1.12 -0.16 2.00 2.07 -1.05 -1.74 116.25 118.83 3dby h VAL 20 Ca -0.12 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 66.90 3dby h VAL 20 Cb 1.67 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3dby h VAL 20 CO 0.19 0.19 -0.54 -0.07 0.02 0.00 0.00 177.57 177.36 3dby h LEU 21 N 1.03 0.50 -0.62 2.57 3.38 -0.67 -0.94 115.31 120.57 3dby h LEU 21 Ca 0.33 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3dby h LEU 21 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3dby h LEU 21 CO -0.12 0.94 0.10 0.74 0.09 0.00 0.00 178.44 180.19 3dby h THR 22 N 0.35 1.26 -0.39 0.22 2.02 -1.34 -1.95 112.91 113.08 3dby h THR 22 Ca 0.01 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 3dby h THR 22 Cb 1.06 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3dby h THR 22 CO 0.10 0.37 0.20 0.44 0.37 0.00 0.00 175.52 177.00 3dby h ASP 23 N 0.93 0.51 -0.59 4.18 3.45 -1.03 -2.26 116.42 121.61 3dby h ASP 23 Ca 0.19 -0.11 0.05 0.00 0.43 0.00 0.00 57.03 57.58 3dby h ASP 23 Cb 0.43 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.03 3dby h ASP 23 CO 0.01 0.48 0.32 0.45 -1.57 0.00 0.00 179.24 178.93 3dby h HIS 24 N 0.50 0.60 -0.83 4.55 3.86 -0.93 0.29 115.15 123.19 3dby h HIS 24 Ca 0.14 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3dby h HIS 24 Cb 0.10 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 3dby h HIS 24 CO -0.02 0.30 0.40 0.00 0.86 0.00 0.00 177.93 179.47 3dby h ALA 25 N 1.30 1.06 -0.20 2.45 0.00 -1.25 0.75 119.26 123.37 3dby h ALA 25 Ca 0.25 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3dby h ALA 25 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3dby h ALA 25 CO -0.15 0.63 -0.10 0.37 0.00 0.00 0.00 179.25 179.99 3dby h GLN 26 N 1.17 0.43 -0.36 0.00 5.75 -0.91 0.13 115.11 121.32 3dby h GLN 26 Ca 0.28 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 3dby h GLN 26 Cb 0.12 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 3dby h GLN 26 CO -0.04 0.72 0.10 0.74 -2.65 0.00 0.00 178.83 177.71 3dby h PHE 27 N 0.13 0.18 -0.09 3.99 0.04 -0.11 -1.43 116.94 119.65 3dby h PHE 27 Ca 0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3dby h PHE 27 Cb 0.59 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 3dby h PHE 27 CO 0.06 0.06 0.02 -0.07 -0.60 0.00 0.00 178.31 177.78 3dby h LEU 28 N 0.24 0.14 -0.62 1.54 3.38 -0.81 -2.01 115.31 117.16 3dby h LEU 28 Ca 0.17 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3dby h LEU 28 Cb 0.17 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 3dby h LEU 28 CO -0.20 0.36 -0.51 0.25 0.09 0.00 0.00 178.44 178.43 3dby h LEU 29 N -0.08 -1.78 -1.51 1.67 5.85 -0.57 -2.09 115.31 116.80 3dby h LEU 29 Ca 0.03 0.27 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3dby h LEU 29 Cb 0.28 0.78 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3dby h LEU 29 CO 0.00 -0.34 0.00 0.44 -0.34 0.00 0.00 178.44 178.20 3dby h ASP 30 N -0.23 0.00 1.11 1.25 3.45 -1.17 -3.18 116.42 117.64 3dby h ASP 30 Ca 0.14 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.46 3dby h ASP 30 Cb 0.55 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 3dby h ASP 30 CO -0.72 0.00 -0.93 0.00 -1.57 0.00 0.00 179.24 176.01 3dby h ALA 31 N 2.02 0.63 -2.86 3.45 0.00 -0.71 -3.47 119.26 118.32 3dby h ALA 31 Ca 0.00 -0.69 -0.53 0.00 0.00 0.00 0.00 54.91 53.69 3dby h ALA 31 Cb 0.46 0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.39 3dby h ALA 31 CO 0.00 0.84 0.78 -0.51 0.00 0.00 0.00 179.25 180.36 3dby s LEU 32 N -6.23 4.35 0.56 0.00 1.43 -0.90 -0.83 118.68 117.06 3dby s LEU 32 Ca 0.01 2.91 -0.21 0.00 -1.03 0.00 0.00 54.13 55.80 3dby s LEU 32 Cb 0.08 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 3dby s LEU 32 CO 0.78 -0.81 1.35 0.00 0.23 0.00 0.00 176.35 177.90 3dby s ALA 33 N -0.64 2.77 0.37 4.21 0.00 -0.52 -4.89 121.76 123.07 3dby s ALA 33 Ca 0.56 1.31 0.14 0.00 0.00 0.00 0.00 51.96 53.97 3dby s ALA 33 Cb -0.45 -3.56 0.99 0.00 0.00 0.00 0.00 23.12 20.09 3dby s ALA 33 CO 0.54 -1.38 1.80 -1.35 0.00 0.00 0.00 175.76 175.37 3dby h PRO 34 N 1.37 0.50 0.00 0.00 0.11 -1.93 -0.54 132.00 131.50 3dby h PRO 34 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3dby h PRO 34 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dby h PRO 34 CO 0.57 0.33 0.00 1.57 -0.21 0.00 0.00 178.00 180.26 3dby h LYS 35 N 0.51 0.00 -2.92 1.05 2.10 -1.97 -3.35 116.57 111.99 3dby h LYS 35 Ca 0.55 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.81 3dby h LYS 35 Cb 1.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3dby h LYS 35 CO -0.29 0.00 2.10 0.39 -2.00 0.00 0.00 179.45 179.65 3dby n GLU 36 N -2.85 2.39 -0.15 0.07 -0.58 -0.21 -4.72 120.64 114.59 3dby n GLU 36 Ca -0.02 -1.45 -0.07 0.00 -0.42 0.00 0.00 57.16 55.19 3dby n GLU 36 Cb 0.07 -2.37 -0.01 0.00 -0.57 0.00 0.00 31.44 28.55 3dby n GLU 36 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 37 N 5.09 -0.22 -0.48 3.49 1.79 -1.85 -0.78 116.57 123.60 3dby h LYS 37 Ca 0.50 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 3dby h LYS 37 Cb 0.51 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 3dby h LYS 37 CO 1.18 -0.15 0.32 1.49 -1.08 0.00 0.00 179.45 181.21 3dby h GLU 38 N -0.23 0.63 0.00 3.15 4.81 -1.96 -0.08 114.58 120.91 3dby h GLU 38 Ca 0.19 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3dby h GLU 38 Cb 0.55 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3dby h GLU 38 CO -0.60 0.42 -0.52 -0.44 -0.73 0.00 0.00 179.01 177.14 3dby h ASP 39 N 0.65 0.00 -0.28 1.04 3.32 -1.76 -1.99 116.42 117.40 3dby h ASP 39 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3dby h ASP 39 Cb -0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3dby h ASP 39 CO -0.04 0.52 0.14 0.40 -1.72 0.00 0.00 179.24 178.55 3dby h ILE 40 N 0.00 1.14 -0.99 0.35 2.04 -0.64 -0.79 117.51 118.62 3dby h ILE 40 Ca -0.01 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.52 3dby h ILE 40 Cb 1.19 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 3dby h ILE 40 CO 0.07 0.14 0.64 0.50 0.00 0.00 0.00 178.15 179.50 3dby h LYS 41 N 0.33 1.14 -0.50 2.37 3.64 -0.66 -0.70 116.57 122.20 3dby h LYS 41 Ca 0.10 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3dby h LYS 41 Cb 0.10 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3dby h LYS 41 CO -0.01 0.75 -0.16 0.87 -2.27 0.00 0.00 179.45 178.64 3dby h LYS 42 N 1.18 0.96 -0.02 1.90 1.57 -1.07 -1.98 116.57 119.10 3dby h LYS 42 Ca 0.42 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 3dby h LYS 42 Cb 0.14 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3dby h LYS 42 CO -0.17 1.04 -0.59 0.00 -0.57 0.00 0.00 179.45 179.17 3dby h ALA 43 N 0.97 0.99 0.12 3.86 0.00 -0.78 -1.79 119.26 122.62 3dby h ALA 43 Ca 0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3dby h ALA 43 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3dby h ALA 43 CO 0.05 0.73 -0.06 1.15 0.00 0.00 0.00 179.25 181.12 3dby h THR 44 N 0.05 0.95 -0.90 0.00 2.02 -1.06 -1.99 112.91 111.99 3dby h THR 44 Ca -0.01 -0.27 0.21 0.00 0.77 0.00 0.00 66.41 67.11 3dby h THR 44 Cb 1.05 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 3dby h THR 44 CO 0.08 0.07 0.60 0.22 0.37 0.00 0.00 175.52 176.86 3dby h TYR 45 N -0.29 0.49 0.10 3.16 3.20 -1.03 -1.89 116.97 120.71 3dby h TYR 45 Ca -0.02 0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 3dby h TYR 45 Cb 0.24 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3dby h TYR 45 CO -0.03 0.13 -1.41 0.74 -1.64 0.00 0.00 178.16 175.94 3dby h PHE 46 N 0.36 0.38 -0.46 -3.82 0.04 -1.06 0.85 116.94 113.23 3dby h PHE 46 Ca 0.47 -0.28 0.02 0.00 2.80 0.00 0.00 57.97 60.98 3dby h PHE 46 Cb 1.22 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 3dby h PHE 46 CO -0.00 1.29 0.28 0.28 -0.60 0.00 0.00 178.31 179.56 3dby h VAL 47 N 0.06 1.06 0.09 -0.55 2.07 -1.02 -0.30 116.25 117.66 3dby h VAL 47 Ca -0.19 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3dby h VAL 47 Cb 1.98 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3dby h VAL 47 CO 0.16 0.10 -0.04 -0.08 0.02 0.00 0.00 177.57 177.73 3dby h GLU 48 N 0.56 -0.12 -0.46 1.57 4.22 -1.30 -1.30 114.58 117.75 3dby h GLU 48 Ca 0.18 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.72 3dby h GLU 48 Cb -0.00 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.18 3dby h GLU 48 CO -0.08 0.29 -0.15 1.15 -2.18 0.00 0.00 179.01 178.04 3dby h THR 49 N -0.55 0.48 0.03 0.32 2.02 -0.82 -1.35 112.91 113.04 3dby h THR 49 Ca -0.01 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.92 3dby h THR 49 Cb 0.46 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3dby h THR 49 CO 0.02 0.00 -1.04 -0.26 0.37 0.00 0.00 175.52 174.61 3dby h PHE 50 N -0.04 0.74 -0.48 3.16 0.04 -1.09 -2.18 116.94 117.10 3dby h PHE 50 Ca 0.22 -0.43 0.09 0.00 2.80 0.00 0.00 57.97 60.66 3dby h PHE 50 Cb 0.38 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.38 3dby h PHE 50 CO -0.43 1.26 0.00 1.15 -0.60 0.00 0.00 178.31 179.70 3dby h THR 51 N 0.25 0.63 -0.54 -1.55 2.02 -1.12 -1.63 112.91 110.96 3dby h THR 51 Ca -0.11 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 3dby h THR 51 Cb 1.70 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3dby h THR 51 CO 0.19 0.02 -0.12 0.78 0.37 0.00 0.00 175.52 176.76 3dby h ASN 52 N 0.11 1.04 -0.61 4.18 2.35 -1.12 -1.72 115.58 119.82 3dby h ASN 52 Ca 0.24 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3dby h ASN 52 Cb 0.36 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3dby h ASN 52 CO -0.40 1.15 0.36 -0.07 -1.65 0.00 0.00 177.43 176.83 3dby h LEU 53 N 0.92 0.73 -1.15 1.61 3.38 -1.22 -1.99 115.31 117.60 3dby h LEU 53 Ca 0.14 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3dby h LEU 53 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3dby h LEU 53 CO 0.05 0.58 -0.39 0.25 0.09 0.00 0.00 178.44 179.03 3dby h LEU 54 N 0.82 0.07 -0.32 1.67 5.85 -1.11 -2.95 115.31 119.34 3dby h LEU 54 Ca 0.22 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3dby h LEU 54 Cb -0.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3dby h LEU 54 CO -0.04 0.46 -0.23 0.78 -0.34 0.00 0.00 178.44 179.07 3dby h ASN 55 N 0.06 0.76 -0.31 1.25 -0.26 -0.87 -3.19 115.58 113.02 3dby h ASN 55 Ca 0.00 -0.44 -0.05 0.00 -0.56 0.00 0.00 56.30 55.26 3dby h ASN 55 Cb 0.72 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.73 3dby h ASN 55 CO 0.05 1.04 0.06 2.29 -1.06 0.00 0.00 177.43 179.81 3dby n LYS 56 N -4.28 2.63 -0.07 0.81 2.85 -0.79 -4.45 118.16 114.85 3dby n LYS 56 Ca -0.03 -1.49 -0.15 0.00 -1.05 0.00 0.00 58.31 55.59 3dby n LYS 56 Cb 0.44 -1.81 -0.05 0.00 -0.65 0.00 0.00 35.03 32.96 3dby n LYS 56 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 3dby h VAL 57 N 1.63 1.29 -0.00 0.58 3.04 -1.53 -3.19 116.25 118.08 3dby h VAL 57 Ca 0.06 -1.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 3dby h VAL 57 Cb 1.34 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 3dby h VAL 57 CO 0.29 0.54 -0.07 0.54 -1.01 0.00 0.00 177.57 177.86 3dby n ARG 58 N -4.09 0.28 -2.46 4.17 1.74 -1.26 -4.01 116.66 111.03 3dby n ARG 58 Ca -0.05 -0.05 -0.22 0.00 -0.77 0.00 0.00 57.85 56.77 3dby n ARG 58 Cb 0.60 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 3dby n ARG 58 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3dby n ASN 59 N -1.32 3.98 -3.63 0.55 3.02 -1.20 -5.04 115.26 111.61 3dby n ASN 59 Ca 0.11 -3.45 -0.10 0.00 -0.03 0.00 0.00 54.58 51.10 3dby n ASN 59 Cb 0.29 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dby s VAL 60 N -4.86 0.03 -0.47 2.41 -7.23 -1.25 -5.05 120.40 103.98 3dby s VAL 60 Ca 0.43 -0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 59.80 3dby s VAL 60 Cb 0.41 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 3dby s VAL 60 CO -0.11 -0.14 1.84 0.21 -0.31 0.00 0.00 175.10 176.60 3dby s ASN 61 N -2.82 5.55 0.40 4.85 3.84 -1.26 -4.89 114.94 120.61 3dby s ASN 61 Ca 0.05 0.82 0.15 0.00 0.21 0.00 0.00 52.86 54.10 3dby s ASN 61 Cb -0.00 -2.53 1.01 0.00 -0.55 0.00 0.00 41.25 39.18 3dby s ASN 61 CO -0.08 -2.06 1.85 -0.07 -2.79 0.00 0.00 177.10 173.95 3dby h LEU 62 N 15.17 0.48 0.47 3.21 4.07 -1.98 -1.05 115.31 135.67 3dby h LEU 62 Ca -0.29 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.69 3dby h LEU 62 Cb 1.17 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3dby h LEU 62 CO 1.13 0.20 -0.22 0.24 -1.08 0.00 0.00 178.44 178.70 3dby h MET 63 N 0.48 -0.60 -0.21 1.13 2.86 -1.90 -0.94 114.93 115.75 3dby h MET 63 Ca 0.47 0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 58.09 3dby h MET 63 Cb 1.07 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 3dby h MET 63 CO -0.20 -0.34 -0.14 0.00 1.06 0.00 0.00 176.91 177.29 3dby h ALA 64 N -0.30 1.38 -0.26 6.32 0.00 -1.78 -2.94 119.26 121.68 3dby h ALA 64 Ca -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3dby h ALA 64 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dby h ALA 64 CO 0.11 0.43 0.06 0.35 0.00 0.00 0.00 179.25 180.19 3dby h PHE 65 N 0.32 0.44 -1.05 0.00 3.57 -1.16 -2.85 116.94 116.20 3dby h PHE 65 Ca 0.06 -0.06 0.28 0.00 3.53 0.00 0.00 57.97 61.79 3dby h PHE 65 Cb 0.45 -0.12 -0.11 0.00 2.79 0.00 0.00 35.95 38.95 3dby h PHE 65 CO 0.01 0.51 0.66 0.77 -2.23 0.00 0.00 178.31 178.03 3dby h SER 66 N 0.24 0.50 -0.39 0.41 0.02 -0.98 0.22 113.55 113.57 3dby h SER 66 Ca 0.08 0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3dby h SER 66 Cb 0.30 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3dby h SER 66 CO 0.00 0.05 -0.14 0.11 -1.14 0.00 0.00 176.83 175.71 3dby h LYS 67 N 0.41 0.78 0.11 3.45 1.57 -1.52 0.19 116.57 121.56 3dby h LYS 67 Ca 0.64 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3dby h LYS 67 Cb 1.55 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 3dby h LYS 67 CO -0.38 0.94 -0.15 1.49 -0.57 0.00 0.00 179.45 180.78 3dby h GLU 68 N 0.59 -0.29 -0.82 3.15 4.81 -1.15 -2.49 114.58 118.37 3dby h GLU 68 Ca 0.09 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.50 3dby h GLU 68 Cb 0.68 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.03 3dby h GLU 68 CO 0.05 -0.20 0.39 0.00 -0.73 0.00 0.00 179.01 178.52 3dby h ALA 69 N 0.55 1.23 0.19 2.92 0.00 -0.80 -2.42 119.26 120.92 3dby h ALA 69 Ca 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dby h ALA 69 Cb 0.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dby h ALA 69 CO -0.07 -0.16 -0.09 1.49 0.00 0.00 0.00 179.25 180.42 3dby h GLU 70 N 0.54 -0.24 -0.60 0.00 4.81 -0.86 -1.55 114.58 116.68 3dby h GLU 70 Ca 0.46 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.79 3dby h GLU 70 Cb 0.70 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.03 3dby h GLU 70 CO -0.40 -0.12 -0.46 0.37 -0.73 0.00 0.00 179.01 177.68 3dby h GLN 71 N -0.30 -0.22 -0.35 1.92 5.75 -0.98 0.28 115.11 121.22 3dby h GLN 71 Ca -0.03 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3dby h GLN 71 Cb 0.23 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3dby h GLN 71 CO 0.04 -0.14 0.10 0.00 -2.65 0.00 0.00 178.83 176.17 3dby h ALA 72 N 0.56 1.52 -0.03 3.38 0.00 -1.32 0.20 119.26 123.57 3dby h ALA 72 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 72 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dby h ALA 72 CO -0.70 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 178.88 3dby h ALA 73 N 1.62 0.05 -0.58 0.00 0.00 -0.06 0.20 119.26 120.48 3dby h ALA 73 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3dby h ALA 73 Cb 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3dby h ALA 73 CO -0.01 -0.20 0.34 0.87 0.00 0.00 0.00 179.25 180.25 3dby h LYS 74 N -0.36 0.78 -0.29 0.00 1.57 -0.15 0.22 116.57 118.34 3dby h LYS 74 Ca 0.01 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3dby h LYS 74 Cb 0.49 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3dby h LYS 74 CO 0.01 0.56 0.15 0.93 -0.57 0.00 0.00 179.45 180.52 3dby h GLU 75 N 0.80 0.30 -0.10 3.15 5.08 -0.16 -2.69 114.58 120.95 3dby h GLU 75 Ca 0.21 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3dby h GLU 75 Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3dby h GLU 75 CO -0.04 0.20 -0.46 0.97 -1.00 0.00 0.00 179.01 178.68 3dby h ILE 76 N 0.31 1.33 -0.21 3.13 2.10 0.47 -2.26 117.51 122.37 3dby h ILE 76 Ca 0.12 -1.64 0.06 0.00 1.08 0.00 0.00 64.86 64.48 3dby h ILE 76 Cb 0.03 1.76 -0.06 0.00 -1.09 0.00 0.00 36.82 37.45 3dby h ILE 76 CO -0.07 0.49 -0.21 -0.09 -1.08 0.00 0.00 178.15 177.19 3dby h ARG 77 N 0.21 -0.22 0.00 2.19 2.43 -0.48 -0.97 114.38 117.55 3dby h ARG 77 Ca 0.01 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3dby h ARG 77 Cb 0.89 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3dby h ARG 77 CO 0.07 -0.14 -0.27 0.00 -1.51 0.00 0.00 179.97 178.12 3dby h ALA 78 N 0.84 1.30 -0.08 2.80 0.00 -1.17 -1.04 119.26 121.91 3dby h ALA 78 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dby h ALA 78 Cb 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dby h ALA 78 CO -0.35 0.33 -0.05 0.35 0.00 0.00 0.00 179.25 179.54 3dby h PHE 79 N 0.00 0.19 -0.71 0.00 3.57 -0.80 -1.12 116.94 118.08 3dby h PHE 79 Ca -0.00 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.51 3dby h PHE 79 Cb 0.57 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 3dby h PHE 79 CO 0.00 0.56 0.40 0.87 -2.23 0.00 0.00 178.31 177.91 3dby h LYS 80 N -0.23 0.70 -0.11 1.11 1.57 -0.94 -0.14 116.57 118.53 3dby h LYS 80 Ca 0.02 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3dby h LYS 80 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3dby h LYS 80 CO 0.01 0.46 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.79 3dby h LEU 81 N 0.72 0.32 -0.55 2.94 3.38 -1.13 -2.15 115.31 118.85 3dby h LEU 81 Ca 0.33 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3dby h LEU 81 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3dby h LEU 81 CO -0.20 0.77 -0.33 -1.13 0.09 0.00 0.00 178.44 177.64 3dby h ASN 82 N 0.24 0.85 -0.12 -0.43 -1.24 -0.66 -0.82 115.58 113.40 3dby h ASN 82 Ca 0.01 -0.36 0.02 0.00 0.71 0.00 0.00 56.30 56.68 3dby h ASN 82 Cb 0.97 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 3dby h ASN 82 CO 0.08 1.10 0.00 0.40 -1.29 0.00 0.00 177.43 177.72 3dby h ILE 83 N 0.68 0.92 -0.58 2.57 2.04 -0.78 -2.43 117.51 119.93 3dby h ILE 83 Ca 0.07 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3dby h ILE 83 Cb 0.88 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3dby h ILE 83 CO 0.08 0.01 0.36 0.40 0.00 0.00 0.00 178.15 178.99 3dby h ILE 84 N 0.04 1.08 -0.63 -0.67 2.04 -1.27 -0.73 117.51 117.37 3dby h ILE 84 Ca 0.06 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3dby h ILE 84 Cb 0.07 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 3dby h ILE 84 CO -0.10 0.13 0.38 -0.61 0.00 0.00 0.00 178.15 177.95 3dby h GLN 85 N 0.71 0.71 -0.05 2.37 4.15 -1.08 -0.79 115.11 121.14 3dby h GLN 85 Ca 0.23 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 3dby h GLN 85 Cb 0.01 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3dby h GLN 85 CO -0.09 0.47 -0.36 0.87 -1.93 0.00 0.00 178.83 177.79 3dby h LYS 86 N 0.74 0.10 -0.31 1.69 1.57 -1.10 -2.62 116.57 116.64 3dby h LYS 86 Ca 0.26 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3dby h LYS 86 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3dby h LYS 86 CO -0.12 0.45 0.09 1.96 -0.57 0.00 0.00 179.45 181.26 3dby h GLN 87 N 0.09 0.49 0.00 3.15 4.20 -0.46 1.31 115.11 123.89 3dby h GLN 87 Ca 0.01 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3dby h GLN 87 Cb 0.68 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3dby h GLN 87 CO 0.05 0.54 0.00 -0.07 -0.67 0.00 0.00 178.83 178.68 3dby h LEU 88 N 0.35 0.00 -1.82 1.46 3.38 -0.96 -2.05 115.31 115.67 3dby h LEU 88 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dby h LEU 88 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3dby h LEU 88 CO -0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3dby n GLU 89 N -3.06 1.28 -2.87 1.13 1.02 -1.00 -4.99 120.64 112.14 3dby n GLU 89 Ca -0.02 -1.48 -0.14 0.00 -0.02 0.00 0.00 57.16 55.51 3dby n GLU 89 Cb 0.15 -1.26 0.03 0.00 -0.02 0.00 0.00 31.44 30.34 3dby n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dby n GLY 90 N 0.72 -0.04 0.82 0.62 0.00 -0.29 -4.95 105.19 102.06 3dby n GLY 90 Ca 0.09 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3dby n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dby n LYS 91 N -2.95 2.95 -3.68 1.61 5.02 0.44 -4.98 118.16 116.57 3dby n LYS 91 Ca -0.05 -2.33 -0.14 0.00 -2.02 0.00 0.00 58.31 53.78 3dby n LYS 91 Cb 0.56 -1.46 -0.09 0.00 -0.02 0.00 0.00 35.03 34.03 3dby n LYS 91 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3dby s ILE 92 N -1.45 0.01 -0.44 -0.18 2.07 -1.25 -4.94 121.20 115.02 3dby s ILE 92 Ca 0.31 -0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.39 3dby s ILE 92 Cb 0.19 -0.76 0.07 0.00 0.13 0.00 0.00 42.46 42.10 3dby s ILE 92 CO 0.16 -0.03 0.31 -0.89 -1.91 0.00 0.00 174.94 172.59 3dby s THR 93 N -0.02 4.64 0.00 4.00 2.01 -1.26 -4.81 115.64 120.21 3dby s THR 93 Ca -0.02 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 60.75 3dby s THR 93 Cb -0.03 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3dby s THR 93 CO 0.02 -0.52 -0.05 -0.51 -0.69 0.00 0.00 174.62 172.87 3dby s ILE 94 N 1.52 0.37 -0.24 1.82 2.07 -1.26 -1.44 121.20 124.04 3dby s ILE 94 Ca 0.03 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 58.97 3dby s ILE 94 Cb -0.23 -0.34 0.32 0.00 0.13 0.00 0.00 42.46 42.34 3dby s ILE 94 CO 0.04 0.03 1.41 1.41 -1.91 0.00 0.00 174.94 175.92 3dby n HIS 95 N 2.75 1.42 -4.40 3.50 8.25 -0.01 -4.77 115.22 121.96 3dby n HIS 95 Ca -0.14 -1.08 -0.25 0.00 -0.26 0.00 0.00 57.72 55.99 3dby n HIS 95 Cb 0.58 -0.56 -0.11 0.00 1.12 0.00 0.00 29.99 31.01 3dby n HIS 95 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dby s PHE 96 N -1.57 2.16 0.36 4.41 2.99 -1.26 -5.03 117.98 120.04 3dby s PHE 96 Ca 0.27 -0.39 -0.02 0.00 0.00 0.00 0.00 56.93 56.79 3dby s PHE 96 Cb 0.22 -1.06 -0.04 0.00 0.00 0.00 0.00 43.02 42.14 3dby s PHE 96 CO 0.05 0.47 0.60 0.95 -0.00 0.00 0.00 175.22 177.28 3dby s THR 97 N -1.82 5.05 0.52 0.64 -4.23 -1.26 -4.95 115.64 109.58 3dby s THR 97 Ca 0.20 -0.22 0.20 0.00 -1.18 0.00 0.00 61.69 60.69 3dby s THR 97 Cb -0.07 -3.83 0.33 0.00 1.34 0.00 0.00 72.50 70.27 3dby s THR 97 CO 0.09 -0.56 2.07 -0.65 -0.54 0.00 0.00 174.62 175.03 3dby h PRO 98 N 0.86 0.02 -0.19 3.99 0.11 -1.97 -1.10 132.00 133.72 3dby h PRO 98 Ca -0.49 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 3dby h PRO 98 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dby h PRO 98 CO 0.62 0.01 -0.61 1.15 -0.21 0.00 0.00 178.00 178.97 3dby h THR 99 N 0.02 1.31 -0.03 -1.15 2.02 -1.98 -0.51 112.91 112.59 3dby h THR 99 Ca 0.13 -1.86 0.01 0.00 0.77 0.00 0.00 66.41 65.46 3dby h THR 99 Cb 0.50 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3dby h THR 99 CO -0.00 0.58 -0.02 0.15 0.37 0.00 0.00 175.52 176.60 3dby h PHE 100 N 0.47 -0.06 -0.55 3.16 3.57 -1.59 -1.42 116.94 120.52 3dby h PHE 100 Ca -0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3dby h PHE 100 Cb 1.19 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3dby h PHE 100 CO 0.06 -0.04 0.03 0.82 -2.23 0.00 0.00 178.31 176.95 3dby h ILE 101 N -0.03 1.25 -0.72 1.41 2.04 -1.45 -2.23 117.51 117.78 3dby h ILE 101 Ca 0.02 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 64.93 3dby h ILE 101 Cb 0.06 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3dby h ILE 101 CO -0.05 0.37 0.47 -1.13 0.00 0.00 0.00 178.15 177.81 3dby h ASN 102 N 0.86 0.59 0.68 1.72 -1.24 -0.77 0.57 115.58 117.99 3dby h ASN 102 Ca 0.17 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.08 3dby h ASN 102 Cb 0.46 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 3dby h ASN 102 CO 0.02 0.36 -0.51 0.45 -1.29 0.00 0.00 177.43 176.46 3dby h HIS 103 N 0.66 0.00 -0.53 0.67 3.86 -0.67 -1.09 115.15 118.04 3dby h HIS 103 Ca 0.32 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 3dby h HIS 103 Cb 0.40 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 3dby h HIS 103 CO -0.00 0.51 -0.07 0.52 0.86 0.00 0.00 177.93 179.75 3dby h MET 104 N 0.00 0.99 -0.85 2.45 2.86 -0.62 -2.08 114.93 117.68 3dby h MET 104 Ca -0.01 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3dby h MET 104 Cb 0.99 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 3dby h MET 104 CO 0.07 1.02 0.44 0.28 1.06 0.00 0.00 176.91 179.78 3dby h VAL 105 N 0.86 1.26 -0.40 -2.22 2.07 -0.75 -0.30 116.25 116.77 3dby h VAL 105 Ca 0.14 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3dby h VAL 105 Cb 0.62 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3dby h VAL 105 CO 0.04 0.30 0.01 0.78 0.02 0.00 0.00 177.57 178.71 3dby h ASN 106 N 1.20 0.60 0.27 0.57 2.35 -1.01 -2.34 115.58 117.22 3dby h ASN 106 Ca 0.30 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3dby h ASN 106 Cb 0.08 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3dby h ASN 106 CO -0.04 0.67 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.95 3dby h GLU 107 N 0.60 -0.35 -0.53 0.81 5.08 -0.73 -1.87 114.58 117.59 3dby h GLU 107 Ca 0.13 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.66 3dby h GLU 107 Cb 0.37 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3dby h GLU 107 CO 0.01 0.00 0.38 -0.24 -1.00 0.00 0.00 179.01 178.17 3dby h VAL 108 N -0.85 0.74 0.00 3.13 3.04 -1.12 0.16 116.25 121.34 3dby h VAL 108 Ca -0.04 -0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.55 3dby h VAL 108 Cb 0.51 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 3dby h VAL 108 CO 0.06 0.00 -0.47 -0.33 -1.01 0.00 0.00 177.57 175.82 3dby h GLU 109 N 0.01 0.00 -0.34 4.17 5.08 -1.20 -1.06 114.58 121.23 3dby h GLU 109 Ca 0.25 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 3dby h GLU 109 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3dby h GLU 109 CO -0.01 0.47 -0.16 0.93 -1.00 0.00 0.00 179.01 179.25 3dby h GLU 110 N 0.00 0.71 -0.21 2.33 4.39 0.13 -2.01 114.58 119.92 3dby h GLU 110 Ca -0.00 -0.31 0.04 0.00 0.34 0.00 0.00 59.36 59.42 3dby h GLU 110 Cb 0.91 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 3dby h GLU 110 CO 0.06 0.91 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.90 3dby h TYR 111 N 0.49 -0.02 -0.12 4.33 3.20 -1.19 -2.61 116.97 121.05 3dby h TYR 111 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3dby h TYR 111 Cb 0.69 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3dby h TYR 111 CO 0.06 -0.04 -0.17 0.82 -1.64 0.00 0.00 178.16 177.18 3dby h ILE 112 N 0.06 1.19 -0.09 1.81 2.04 -1.14 -0.81 117.51 120.57 3dby h ILE 112 Ca 0.10 -0.85 -0.16 0.00 1.00 0.00 0.00 64.86 64.95 3dby h ILE 112 Cb 0.13 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3dby h ILE 112 CO -0.18 0.26 -0.63 0.00 0.00 0.00 0.00 178.15 177.61 3dby h ALA 113 N 1.65 0.77 -0.37 1.87 0.00 -1.12 -3.01 119.26 119.04 3dby h ALA 113 Ca 0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3dby h ALA 113 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dby h ALA 113 CO 0.03 0.73 -0.12 0.28 0.00 0.00 0.00 179.25 180.17 3dby h VAL 114 N 0.23 1.28 0.00 0.00 2.07 -1.02 -3.19 116.25 115.62 3dby h VAL 114 Ca -0.01 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3dby h VAL 114 Cb 1.15 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3dby h VAL 114 CO 0.10 0.40 -0.01 -0.07 0.02 0.00 0.00 177.57 178.01 3dby h LEU 115 N 0.52 0.00 -1.65 2.57 3.38 -1.05 -1.95 115.31 117.13 3dby h LEU 115 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3dby h LEU 115 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3dby h LEU 115 CO 0.04 0.01 -0.18 -0.08 0.09 0.00 0.00 178.44 178.32 3dby h GLU 116 N 0.00 0.00 0.00 1.13 4.81 -1.51 0.11 114.58 119.12 3dby h GLU 116 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3dby h GLU 116 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3dby h GLU 116 CO 0.00 0.18 -0.73 0.74 -0.73 0.00 0.00 179.01 178.47 3dby h PHE 117 N 0.00 0.00 -1.00 0.92 0.04 -1.55 -3.37 116.94 111.98 3dby h PHE 117 Ca -0.00 0.00 0.23 0.00 2.80 0.00 0.00 57.97 61.00 3dby h PHE 117 Cb 0.33 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.38 3dby h PHE 117 CO 0.00 0.71 0.63 -0.07 -0.60 0.00 0.00 178.31 178.98 3dby h LEU 118 N -1.00 0.58 -1.72 1.54 3.38 -1.50 -0.41 115.31 116.18 3dby h LEU 118 Ca -0.15 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3dby h LEU 118 Cb 0.83 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3dby h LEU 118 CO -0.09 0.16 0.17 0.11 0.09 0.00 0.00 178.44 178.88 3dby h LYS 119 N 0.54 0.36 -0.88 1.13 1.57 -1.15 -2.32 116.57 115.82 3dby h LYS 119 Ca 0.58 -0.02 -0.47 0.00 -1.87 0.00 0.00 60.65 58.86 3dby h LYS 119 Cb 1.23 -0.08 -0.27 0.00 0.08 0.00 0.00 32.23 33.19 3dby h LYS 119 CO -0.33 0.24 0.52 0.36 -0.57 0.00 0.00 179.45 179.68 3dby n LYS 120 N -4.49 2.24 -3.34 3.15 2.85 -0.60 -4.83 118.16 113.14 3dby n LYS 120 Ca 0.01 -3.09 -0.24 0.00 -1.05 0.00 0.00 58.31 53.93 3dby n LYS 120 Cb 0.08 -2.13 0.02 0.00 -0.65 0.00 0.00 35.03 32.36 3dby n LYS 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dby n GLY 121 N -1.12 -0.51 3.71 2.58 0.00 -0.87 -5.00 105.19 103.98 3dby n GLY 121 Ca 0.55 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.48 3dby n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dby s GLU 122 N -6.02 2.44 -0.15 1.61 2.02 -0.26 -4.92 118.70 113.41 3dby s GLU 122 Ca 0.42 -1.40 -0.19 0.00 0.02 0.00 0.00 54.97 53.82 3dby s GLU 122 Cb -0.21 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 3dby s GLU 122 CO 0.52 0.28 0.55 0.08 0.02 0.00 0.00 175.26 176.71 3dby s VAL 123 N -2.33 5.11 0.24 2.63 1.01 -1.26 -3.44 120.40 122.36 3dby s VAL 123 Ca 0.34 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 63.07 3dby s VAL 123 Cb -0.05 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 3dby s VAL 123 CO 0.22 0.23 1.63 -2.84 0.00 0.00 0.00 175.10 174.34 3dby s PRO 124 N 1.19 4.15 0.68 2.72 0.02 -1.26 -4.95 135.00 137.54 3dby s PRO 124 Ca 0.27 2.54 -0.15 0.00 0.02 0.00 0.00 61.00 63.68 3dby s PRO 124 Cb -0.16 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.31 3dby s PRO 124 CO 0.11 -0.66 1.15 -1.25 -0.33 0.00 0.00 177.00 176.02 3dby s PRO 125 N 0.39 2.59 -0.49 5.54 0.04 -1.26 -4.96 135.00 136.85 3dby s PRO 125 Ca 0.68 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 3dby s PRO 125 Cb -0.48 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.18 3dby s PRO 125 CO 0.39 -1.45 1.21 0.08 0.04 0.00 0.00 177.00 177.27 3dby s VAL 126 N -2.16 4.09 0.99 -0.36 1.01 -1.26 -5.02 120.40 117.70 3dby s VAL 126 Ca 0.70 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 3dby s VAL 126 Cb -0.24 -4.56 0.19 0.00 0.00 0.00 0.00 36.38 31.77 3dby s VAL 126 CO 0.42 -1.04 1.08 -0.36 0.00 0.00 0.00 175.10 175.20 3dby s PHE 127 N 4.81 2.01 0.49 5.22 0.08 -1.26 -4.99 117.98 124.34 3dby s PHE 127 Ca 0.50 1.15 -0.23 0.00 0.12 0.00 0.00 56.93 58.46 3dby s PHE 127 Cb -0.08 -3.20 -0.07 0.00 -0.57 0.00 0.00 43.02 39.10 3dby s PHE 127 CO 0.31 -2.91 1.28 -1.58 -0.10 0.00 0.00 175.22 172.21 3dby s HIS 128 N -2.85 2.60 0.39 0.36 5.65 -1.26 -4.72 115.29 115.45 3dby s HIS 128 Ca 0.65 1.43 0.08 0.00 0.25 0.00 0.00 55.06 57.47 3dby s HIS 128 Cb -0.20 -3.63 0.82 0.00 -1.18 0.00 0.00 32.58 28.39 3dby s HIS 128 CO 0.59 -2.26 1.99 1.05 -0.65 0.00 0.00 174.74 175.45 3dby h GLU 129 N 1.91 0.63 -0.08 2.88 4.11 -1.92 -0.39 114.58 121.72 3dby h GLU 129 Ca -0.50 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 58.85 3dby h GLU 129 Cb 1.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3dby h GLU 129 CO 0.59 0.42 -0.16 -0.07 0.07 0.00 0.00 179.01 179.86 3dby h LEU 130 N 0.65 0.11 -0.30 3.06 3.38 -1.98 -1.33 115.31 118.90 3dby h LEU 130 Ca 0.27 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.29 3dby h LEU 130 Cb 0.24 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3dby h LEU 130 CO -0.08 0.29 -0.22 -0.74 0.09 0.00 0.00 178.44 177.77 3dby h HIS 131 N 0.12 -0.59 -0.44 1.13 2.76 -1.42 0.30 115.15 117.02 3dby h HIS 131 Ca 0.02 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3dby h HIS 131 Cb 0.35 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 3dby h HIS 131 CO 0.00 -0.30 0.15 1.88 -1.30 0.00 0.00 177.93 178.36 3dby h TYR 132 N -0.20 0.69 0.04 5.26 0.05 -1.33 -1.86 116.97 119.63 3dby h TYR 132 Ca 0.16 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.90 3dby h TYR 132 Cb 0.44 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 3dby h TYR 132 CO -0.41 0.62 -0.21 0.45 -1.05 0.00 0.00 178.16 177.56 3dby h HIS 133 N 0.56 -0.56 0.00 4.88 3.86 -0.98 0.23 115.15 123.14 3dby h HIS 133 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3dby h HIS 133 Cb 0.24 0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 3dby h HIS 133 CO 0.01 -0.30 -0.02 -0.07 0.86 0.00 0.00 177.93 178.40 3dby h LEU 134 N -0.36 0.00 0.11 2.43 3.38 -0.80 -0.09 115.31 119.98 3dby h LEU 134 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 3dby h LEU 134 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dby h LEU 134 CO -0.17 0.02 -1.24 0.58 0.09 0.00 0.00 178.44 177.73 3dby h VAL 135 N 0.00 1.15 0.00 1.22 2.07 -0.96 -3.43 116.25 116.31 3dby h VAL 135 Ca -0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3dby h VAL 135 Cb 0.06 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3dby h VAL 135 CO 0.00 0.69 -1.69 0.79 0.02 0.00 0.00 177.57 177.38 3dby n TRP 136 N -4.01 0.05 -0.04 1.57 7.02 0.78 -4.06 117.44 118.75 3dby n TRP 136 Ca -0.22 0.01 -0.12 0.00 -1.02 0.00 0.00 57.50 56.15 3dby n TRP 136 Cb 0.86 -0.40 -0.06 0.00 -2.42 0.00 0.00 31.31 29.29 3dby n TRP 136 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dby h LEU 137 N 0.00 0.24 -1.21 -0.99 3.38 -1.21 0.27 115.31 115.79 3dby h LEU 137 Ca 0.00 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3dby h LEU 137 Cb 0.87 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3dby h LEU 137 CO 0.00 0.50 -0.02 0.71 0.09 0.00 0.00 178.44 179.72 3dby h THR 138 N -0.03 1.20 -0.16 0.22 1.35 -1.79 -0.64 112.91 113.06 3dby h THR 138 Ca 0.04 -0.81 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3dby h THR 138 Cb 0.38 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 3dby h THR 138 CO 0.01 0.28 0.10 -0.78 -0.25 0.00 0.00 175.52 174.87 3dby h ASP 139 N 0.50 0.19 -0.30 5.36 3.58 -1.61 0.68 116.42 124.82 3dby h ASP 139 Ca 0.11 -0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.56 3dby h ASP 139 Cb 0.35 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 3dby h ASP 139 CO 0.01 0.17 0.01 0.00 -2.88 0.00 0.00 179.24 176.56 3dby h ALA 140 N 1.02 0.28 -0.87 -0.78 0.00 -0.03 0.14 119.26 119.02 3dby h ALA 140 Ca 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dby h ALA 140 Cb 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3dby h ALA 140 CO -0.01 -0.40 0.44 0.00 0.00 0.00 0.00 179.25 179.29 3dby h ALA 141 N 1.25 1.12 -0.85 0.00 0.00 -0.95 -1.49 119.26 118.34 3dby h ALA 141 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dby h ALA 141 Cb 0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3dby h ALA 141 CO -0.23 0.66 0.45 0.78 0.00 0.00 0.00 179.25 180.91 3dby h GLY 142 N 1.23 1.28 0.92 0.00 0.00 -0.58 0.96 103.07 106.89 3dby h GLY 142 Ca 0.30 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3dby h GLY 142 CO -0.04 0.57 -0.22 0.45 0.00 0.00 0.00 176.54 177.30 3dby h HIS 143 N 1.20 -0.57 -0.97 5.60 3.86 -0.01 -0.11 115.15 124.15 3dby h HIS 143 Ca 0.30 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 3dby h HIS 143 Cb 0.06 0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 3dby h HIS 143 CO 0.01 -0.34 0.64 0.00 0.86 0.00 0.00 177.93 179.10 3dby h ALA 144 N 0.04 1.25 -0.67 2.45 0.00 -1.22 -2.13 119.26 118.97 3dby h ALA 144 Ca -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dby h ALA 144 Cb 0.46 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3dby h ALA 144 CO 0.05 0.59 0.42 0.78 0.00 0.00 0.00 179.25 181.09 3dby h GLY 145 N 1.29 0.97 0.79 0.00 0.00 -0.70 -1.34 103.07 104.07 3dby h GLY 145 Ca 0.36 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.35 3dby h GLY 145 CO -0.09 0.38 0.39 1.76 0.00 0.00 0.00 176.54 178.98 3dby h SER 146 N 0.91 0.62 0.17 0.19 0.02 -0.58 0.12 113.55 115.00 3dby h SER 146 Ca 0.24 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3dby h SER 146 Cb -0.05 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3dby h SER 146 CO -0.05 0.42 -0.11 0.40 -1.14 0.00 0.00 176.83 176.35 3dby h ILE 147 N 0.75 0.76 -0.53 3.27 5.03 -1.18 0.81 117.51 126.42 3dby h ILE 147 Ca 0.28 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 65.11 3dby h ILE 147 Cb 0.10 0.76 -0.10 0.00 -3.03 0.00 0.00 36.82 34.54 3dby h ILE 147 CO -0.14 0.00 -0.39 -1.28 -0.68 0.00 0.00 178.15 175.66 3dby h SER 148 N -0.28 -1.32 1.29 1.72 0.87 -0.94 -1.83 113.55 113.06 3dby h SER 148 Ca -0.01 0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3dby h SER 148 Cb 0.24 0.61 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3dby h SER 148 CO 0.01 -0.33 -0.11 1.23 -0.53 0.00 0.00 176.83 177.09 3dby h GLY 149 N -0.23 0.00 1.28 5.77 0.00 -0.59 -3.20 103.07 106.10 3dby h GLY 149 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3dby h GLY 149 CO -0.65 0.00 -0.28 0.61 0.00 0.00 0.00 176.54 176.22 3dby n GLY 150 N 0.46 -1.26 3.76 4.60 0.00 0.26 -4.89 105.19 108.12 3dby n GLY 150 Ca 0.01 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3dby n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 151 N -2.91 4.50 0.57 0.99 1.43 -0.74 -0.43 118.68 122.08 3dby s LEU 151 Ca 0.15 1.94 -0.19 0.00 -1.03 0.00 0.00 54.13 54.99 3dby s LEU 151 Cb 0.18 -3.79 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 3dby s LEU 151 CO 0.61 0.02 0.84 -0.67 0.23 0.00 0.00 176.35 177.39 3dby n ASP 152 N 1.05 0.31 -0.28 2.29 2.03 -0.46 -4.88 116.55 116.61 3dby n ASP 152 Ca -0.00 0.82 0.20 0.00 0.52 0.00 0.00 54.79 56.32 3dby n ASP 152 Cb 0.48 -1.32 0.50 0.00 -0.72 0.00 0.00 41.12 40.06 3dby n ASP 152 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3dby h LEU 153 N 0.55 0.45 -0.00 -2.67 5.85 -1.95 -1.25 115.31 116.28 3dby h LEU 153 Ca -0.47 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3dby h LEU 153 Cb 1.37 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3dby h LEU 153 CO 0.50 0.15 -0.00 1.33 -0.34 0.00 0.00 178.44 180.08 3dby n VAL 154 N -4.56 0.00 -1.74 1.05 0.24 -1.26 -4.30 118.33 107.76 3dby n VAL 154 Ca 0.21 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.12 3dby n VAL 154 Cb 0.75 -0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 3dby n VAL 154 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dby n GLU 155 N -1.42 4.23 -0.14 7.34 -0.58 -0.47 -4.70 120.64 124.88 3dby n GLU 155 Ca 0.10 -2.98 -0.07 0.00 -0.42 0.00 0.00 57.16 53.79 3dby n GLU 155 Cb 0.31 -2.67 0.10 0.00 -0.57 0.00 0.00 31.44 28.60 3dby n GLU 155 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 156 N 4.68 0.90 -0.45 3.49 1.57 -1.82 -1.01 116.57 123.92 3dby h LYS 156 Ca 0.75 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 59.20 3dby h LYS 156 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3dby h LYS 156 CO 1.56 0.92 0.07 0.00 -0.57 0.00 0.00 179.45 181.43 3dby h ARG 157 N 0.82 0.75 -0.56 3.15 2.47 -1.97 -0.44 114.38 118.61 3dby h ARG 157 Ca 0.15 -0.20 -0.09 0.00 -1.26 0.00 0.00 59.98 58.57 3dby h ARG 157 Cb 0.55 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 3dby h ARG 157 CO 0.03 0.77 -0.02 -0.07 0.56 0.00 0.00 179.97 181.24 3dby h LEU 158 N 0.62 0.99 -0.14 3.04 3.38 -1.92 -2.70 115.31 118.57 3dby h LEU 158 Ca 0.14 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3dby h LEU 158 Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dby h LEU 158 CO 0.01 1.06 0.03 0.11 0.09 0.00 0.00 178.44 179.75 3dby h LYS 159 N 0.88 0.09 -0.98 1.13 1.57 -1.04 -1.46 116.57 116.77 3dby h LYS 159 Ca 0.16 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3dby h LYS 159 Cb 0.57 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 3dby h LYS 159 CO 0.03 0.06 0.63 0.93 -0.57 0.00 0.00 179.45 180.54 3dby h GLU 160 N 0.10 1.10 0.03 3.15 5.08 -0.97 0.26 114.58 123.33 3dby h GLU 160 Ca 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dby h GLU 160 Cb 0.05 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3dby h GLU 160 CO -0.08 0.73 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.43 3dby h LYS 161 N 1.13 -0.04 -0.39 2.33 1.63 -1.23 -1.53 116.57 118.48 3dby h LYS 161 Ca 0.42 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.18 3dby h LYS 161 Cb 0.18 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 3dby h LYS 161 CO -0.17 0.45 0.06 0.66 -3.45 0.00 0.00 179.45 177.00 3dby h SER 162 N -0.55 0.54 -0.77 4.20 4.64 -1.00 -1.39 113.55 119.22 3dby h SER 162 Ca -0.00 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3dby h SER 162 Cb 0.51 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 3dby h SER 162 CO 0.01 0.58 0.46 -0.08 -0.87 0.00 0.00 176.83 176.92 3dby h GLU 163 N 0.57 0.81 -0.35 4.77 4.57 -0.41 -1.25 114.58 123.29 3dby h GLU 163 Ca 0.13 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 3dby h GLU 163 Cb 0.28 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3dby h GLU 163 CO 0.00 0.54 -0.19 1.49 -1.18 0.00 0.00 179.01 179.67 3dby h GLU 164 N 0.83 0.66 -0.47 1.92 4.81 -0.20 -2.23 114.58 119.91 3dby h GLU 164 Ca 0.34 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3dby h GLU 164 Cb 0.19 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3dby h GLU 164 CO -0.18 0.81 0.24 0.74 -0.73 0.00 0.00 179.01 179.89 3dby h PHE 165 N 0.59 0.66 -0.42 0.92 0.04 -1.02 -2.05 116.94 115.65 3dby h PHE 165 Ca 0.09 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.92 3dby h PHE 165 Cb 0.65 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 3dby h PHE 165 CO 0.03 0.51 -0.06 1.15 -0.60 0.00 0.00 178.31 179.34 3dby h THR 166 N 0.61 0.61 -0.56 -1.55 2.02 -1.06 0.21 112.91 113.20 3dby h THR 166 Ca 0.16 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 3dby h THR 166 Cb 0.08 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3dby h THR 166 CO -0.02 0.01 0.33 0.50 0.37 0.00 0.00 175.52 176.71 3dby h LYS 167 N 0.04 0.77 -0.62 6.66 3.64 -1.37 -0.86 116.57 124.83 3dby h LYS 167 Ca 0.21 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3dby h LYS 167 Cb 0.31 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3dby h LYS 167 CO -0.40 0.56 0.05 0.45 -2.27 0.00 0.00 179.45 177.84 3dby h HIS 168 N 0.76 1.13 -0.29 1.91 3.86 -0.64 -1.33 115.15 120.54 3dby h HIS 168 Ca 0.20 -0.17 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 3dby h HIS 168 Cb -0.00 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3dby h HIS 168 CO -0.02 0.97 -0.26 0.74 0.86 0.00 0.00 177.93 180.22 3dby h PHE 169 N 0.97 0.83 -0.82 2.45 0.04 -0.78 -1.34 116.94 118.29 3dby h PHE 169 Ca 0.18 -0.24 0.05 0.00 2.80 0.00 0.00 57.97 60.76 3dby h PHE 169 Cb 0.49 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 3dby h PHE 169 CO 0.03 0.98 0.52 0.93 -0.60 0.00 0.00 178.31 180.17 3dby h GLU 170 N 0.44 0.95 -0.39 1.51 5.08 -1.08 -1.40 114.58 119.69 3dby h GLU 170 Ca 0.05 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3dby h GLU 170 Cb 0.83 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3dby h GLU 170 CO 0.07 0.63 -0.15 1.96 -1.00 0.00 0.00 179.01 180.51 3dby h GLN 171 N 0.97 0.80 -0.63 2.33 4.20 -1.14 -1.91 115.11 119.73 3dby h GLN 171 Ca 0.34 -0.33 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3dby h GLN 171 Cb 0.09 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 3dby h GLN 171 CO -0.14 0.95 0.25 0.74 -0.67 0.00 0.00 178.83 179.96 3dby h PHE 172 N 0.60 0.43 -0.61 2.96 0.04 -1.11 -1.48 116.94 117.77 3dby h PHE 172 Ca 0.09 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3dby h PHE 172 Cb 0.69 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 3dby h PHE 172 CO 0.05 0.11 0.39 -0.92 -0.60 0.00 0.00 178.31 177.35 3dby h TYR 173 N 0.44 0.73 -0.75 -0.55 3.20 -0.85 0.11 116.97 119.30 3dby h TYR 173 Ca 0.32 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.24 3dby h TYR 173 Cb 0.40 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3dby h TYR 173 CO -0.16 0.44 0.47 -0.07 -1.64 0.00 0.00 178.16 177.21 3dby h LEU 174 N 0.78 0.78 -0.67 2.82 3.38 -1.01 0.13 115.31 121.53 3dby h LEU 174 Ca 0.23 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3dby h LEU 174 Cb -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3dby h LEU 174 CO -0.07 0.54 0.23 0.50 0.09 0.00 0.00 178.44 179.73 3dby h LYS 175 N 0.93 1.02 -0.57 1.13 3.64 -0.44 -2.49 116.57 119.79 3dby h LYS 175 Ca 0.30 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3dby h LYS 175 Cb 0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3dby h LYS 175 CO -0.11 0.88 0.08 0.00 -2.27 0.00 0.00 179.45 178.03 3dby h ALA 176 N 1.10 1.07 -0.01 5.00 0.00 -0.22 -1.27 119.26 124.93 3dby h ALA 176 Ca 0.22 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3dby h ALA 176 Cb 0.27 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3dby h ALA 176 CO -0.01 0.60 -0.21 0.28 0.00 0.00 0.00 179.25 179.91 3dby h VAL 177 N 0.86 0.50 -0.21 0.00 2.07 -0.59 -0.58 116.25 118.30 3dby h VAL 177 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3dby h VAL 177 Cb 0.40 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3dby h VAL 177 CO 0.01 0.00 0.10 -0.33 0.02 0.00 0.00 177.57 177.37 3dby h GLU 178 N -0.33 0.31 -0.77 1.57 4.39 -1.17 -2.81 114.58 115.77 3dby h GLU 178 Ca 0.06 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.79 3dby h GLU 178 Cb 0.41 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 3dby h GLU 178 CO -0.20 0.32 0.50 0.52 -1.16 0.00 0.00 179.01 179.00 3dby h MET 179 N 0.21 0.77 -0.48 2.33 2.86 -1.20 0.52 114.93 119.95 3dby h MET 179 Ca 0.07 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3dby h MET 179 Cb 0.12 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3dby h MET 179 CO -0.01 0.51 0.32 1.15 1.06 0.00 0.00 176.91 179.94 3dby h THR 180 N 0.79 1.07 -0.05 2.22 2.02 -0.85 -2.06 112.91 116.06 3dby h THR 180 Ca 0.34 -0.20 -0.17 0.00 0.77 0.00 0.00 66.41 67.14 3dby h THR 180 Cb 0.29 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3dby h THR 180 CO -0.12 0.11 -0.73 1.23 0.37 0.00 0.00 175.52 176.38 3dby h GLY 181 N 0.58 0.29 2.00 2.16 0.00 0.20 -2.42 103.07 105.89 3dby h GLY 181 Ca 0.19 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3dby h GLY 181 CO -0.05 0.38 -0.05 -0.97 0.00 0.00 0.00 176.54 175.85 3dby h TYR 182 N 0.18 0.00 0.00 5.60 0.05 -0.49 -2.54 116.97 119.76 3dby h TYR 182 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3dby h TYR 182 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 3dby h TYR 182 CO 0.03 0.05 0.00 -0.07 -1.05 0.00 0.00 178.16 177.12 3dby h LEU 183 N 0.00 0.00 -0.74 3.88 3.38 -1.02 -1.54 115.31 119.27 3dby h LEU 183 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dby h LEU 183 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dby h LEU 183 CO 0.01 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.08 3dby n ARG 184 N -2.82 0.14 0.00 1.13 1.74 -0.96 -0.48 116.66 115.41 3dby n ARG 184 Ca -0.02 0.46 0.10 0.00 -0.77 0.00 0.00 57.85 57.62 3dby n ARG 184 Cb 0.07 -1.81 0.54 0.00 -1.02 0.00 0.00 32.46 30.23 3dby n ARG 184 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dby n THR 185 N -2.08 0.29 -0.93 0.55 -2.24 -0.58 -4.85 114.28 104.44 3dby n THR 185 Ca 0.01 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3dby n THR 185 Cb 0.15 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 3dby n THR 185 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dby n GLU 186 N -1.22 -1.54 -3.03 -0.78 1.02 0.37 -4.96 120.64 110.50 3dby n GLU 186 Ca 0.11 0.39 -0.42 0.00 -0.02 0.00 0.00 57.16 57.21 3dby n GLU 186 Cb 0.14 -4.76 -0.06 0.00 -0.02 0.00 0.00 31.44 26.74 3dby n GLU 186 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dby s LEU 187 N 0.00 4.22 -0.00 -4.62 2.96 -1.26 -4.92 118.68 115.06 3dby s LEU 187 Ca 0.00 0.16 0.15 0.00 -0.22 0.00 0.00 54.13 54.22 3dby s LEU 187 Cb 0.00 -2.90 -0.17 0.00 0.50 0.00 0.00 46.19 43.62 3dby s LEU 187 CO 0.00 -0.70 0.65 1.41 -1.32 0.00 0.00 176.35 176.38 3dby n HIS 188 N 6.30 0.00 -3.81 5.38 8.25 -1.26 -4.48 115.22 125.60 3dby n HIS 188 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 3dby n HIS 188 Cb 0.48 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 3dby n HIS 188 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3dby s HIS 189 N -2.45 -0.05 0.10 4.41 3.76 -1.26 -5.05 115.29 114.76 3dby s HIS 189 Ca 0.06 0.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.91 3dby s HIS 189 Cb 0.12 -0.08 0.07 0.00 1.11 0.00 0.00 32.58 33.80 3dby s HIS 189 CO 0.63 -0.07 0.65 -0.59 -0.85 0.00 0.00 174.74 174.50 3dby s PHE 190 N 0.55 -0.55 0.27 1.40 -0.12 -1.26 -5.06 117.98 113.21 3dby s PHE 190 Ca -0.04 0.49 0.01 0.00 -0.05 0.00 0.00 56.93 57.33 3dby s PHE 190 Cb -0.06 0.53 0.57 0.00 -0.63 0.00 0.00 43.02 43.43 3dby s PHE 190 CO -0.02 -0.77 1.78 -1.35 -0.05 0.00 0.00 175.22 174.81 3dby h PRO 191 N 2.21 0.71 -0.27 1.99 0.11 -2.01 -1.74 132.00 133.00 3dby h PRO 191 Ca -0.31 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 3dby h PRO 191 Cb 1.27 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3dby h PRO 191 CO 0.38 0.47 -0.14 0.00 -0.21 0.00 0.00 178.00 178.49 3dby h ALA 192 N 1.57 1.25 -0.13 -0.75 0.00 -1.99 -1.75 119.26 117.45 3dby h ALA 192 Ca 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3dby h ALA 192 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3dby h ALA 192 CO -0.34 0.49 0.02 1.25 0.00 0.00 0.00 179.25 180.67 3dby h LEU 193 N 0.43 0.21 -0.02 0.00 5.85 -1.75 -1.96 115.31 118.08 3dby h LEU 193 Ca 0.08 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3dby h LEU 193 Cb 0.51 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3dby h LEU 193 CO 0.03 0.41 0.01 0.11 -0.34 0.00 0.00 178.44 178.67 3dby h LYS 194 N -0.00 0.02 -0.77 1.25 1.79 -1.10 -2.21 116.57 115.54 3dby h LYS 194 Ca 0.04 -0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.63 3dby h LYS 194 Cb 0.29 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.85 3dby h LYS 194 CO 0.00 0.04 0.37 -0.22 -1.08 0.00 0.00 179.45 178.57 3dby h LYS 195 N -0.00 0.56 0.44 3.15 1.63 -1.38 -1.40 116.57 119.57 3dby h LYS 195 Ca 0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3dby h LYS 195 Cb 0.02 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 3dby h LYS 195 CO -0.00 0.37 -0.47 0.35 -3.45 0.00 0.00 179.45 176.25 3dby h PHE 196 N 0.58 -1.30 -0.75 1.91 3.57 -0.95 0.69 116.94 120.70 3dby h PHE 196 Ca 0.41 0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.04 3dby h PHE 196 Cb 0.53 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 3dby h PHE 196 CO -0.12 -0.63 0.49 1.15 -2.23 0.00 0.00 178.31 176.98 3dby h THR 197 N -0.93 0.86 -0.31 4.41 2.02 -1.19 0.37 112.91 118.14 3dby h THR 197 Ca -0.05 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3dby h THR 197 Cb 0.82 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3dby h THR 197 CO -0.08 0.10 0.10 0.50 0.37 0.00 0.00 175.52 176.50 3dby h LYS 198 N 0.53 0.49 -0.33 6.66 1.63 -0.94 -0.88 116.57 123.72 3dby h LYS 198 Ca 0.36 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 60.07 3dby h LYS 198 Cb 0.66 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 3dby h LYS 198 CO -0.12 0.53 0.19 -0.44 -3.45 0.00 0.00 179.45 176.16 3dby h ASP 199 N 0.35 0.31 -0.51 4.20 3.32 0.19 -1.76 116.42 122.52 3dby h ASP 199 Ca 0.10 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.22 3dby h ASP 199 Cb 0.25 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3dby h ASP 199 CO -0.00 0.22 0.21 0.58 -1.72 0.00 0.00 179.24 178.53 3dby h VAL 200 N 0.39 0.88 -0.15 -1.35 2.07 -0.44 -2.45 116.25 115.20 3dby h VAL 200 Ca 0.13 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3dby h VAL 200 Cb 0.01 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3dby h VAL 200 CO -0.07 0.08 0.09 0.28 0.02 0.00 0.00 177.57 177.97 3dby h SER 201 N 0.41 0.18 -0.41 0.57 0.02 -0.67 -0.83 113.55 112.82 3dby h SER 201 Ca 0.24 -0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 3dby h SER 201 Cb 0.22 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.62 3dby h SER 201 CO -0.21 0.19 -0.22 0.25 -1.14 0.00 0.00 176.83 175.69 3dby h LEU 202 N 0.16 -0.74 -0.79 5.07 6.46 -1.27 -1.69 115.31 122.52 3dby h LEU 202 Ca 0.05 0.16 0.09 0.00 -0.12 0.00 0.00 57.88 58.06 3dby h LEU 202 Cb 0.04 0.39 -0.07 0.00 -0.73 0.00 0.00 40.66 40.29 3dby h LEU 202 CO -0.01 -0.25 0.44 -0.08 -0.62 0.00 0.00 178.44 177.92 3dby h GLU 203 N -0.14 0.73 -0.33 1.25 4.57 -0.94 -2.21 114.58 117.50 3dby h GLU 203 Ca 0.20 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3dby h GLU 203 Cb 0.45 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 3dby h GLU 203 CO -0.50 0.48 0.02 -0.07 -1.18 0.00 0.00 179.01 177.76 3dby h LEU 204 N 0.75 0.47 -0.18 1.64 3.38 -0.53 0.16 115.31 121.01 3dby h LEU 204 Ca 0.38 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3dby h LEU 204 Cb 0.34 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dby h LEU 204 CO -0.24 0.53 -0.28 0.11 0.09 0.00 0.00 178.44 178.66 3dby h LYS 205 N 0.49 0.51 -0.80 1.13 6.56 -0.92 0.19 116.57 123.73 3dby h LYS 205 Ca 0.11 -0.30 0.07 0.00 -1.06 0.00 0.00 60.65 59.47 3dby h LYS 205 Cb 0.30 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 31.92 3dby h LYS 205 CO 0.01 0.90 0.48 -0.07 -2.06 0.00 0.00 179.45 178.70 3dby h LEU 206 N 0.16 0.72 -0.52 2.94 3.38 -1.10 -1.65 115.31 119.23 3dby h LEU 206 Ca 0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3dby h LEU 206 Cb 0.85 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3dby h LEU 206 CO 0.06 0.45 -0.04 0.15 0.09 0.00 0.00 178.44 179.15 3dby h PHE 207 N 0.85 1.04 -0.49 1.13 3.57 -0.50 -0.80 116.94 121.75 3dby h PHE 207 Ca 0.36 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3dby h PHE 207 Cb 0.23 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3dby h PHE 207 CO -0.05 0.97 0.28 0.77 -2.23 0.00 0.00 178.31 178.05 3dby h SER 208 N 0.81 0.43 -0.47 0.41 0.02 -0.39 0.27 113.55 114.63 3dby h SER 208 Ca 0.14 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3dby h SER 208 Cb 0.58 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3dby h SER 208 CO 0.04 0.30 0.27 0.45 -1.14 0.00 0.00 176.83 176.75 3dby h HIS 209 N 0.55 0.50 -0.56 3.45 3.86 -0.90 0.06 115.15 122.10 3dby h HIS 209 Ca 0.20 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 3dby h HIS 209 Cb 0.05 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.31 3dby h HIS 209 CO -0.08 0.27 0.26 0.35 0.86 0.00 0.00 177.93 179.60 3dby h PHE 210 N 0.53 0.47 -0.43 2.45 3.57 -0.47 -0.02 116.94 123.05 3dby h PHE 210 Ca 0.20 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3dby h PHE 210 Cb 0.05 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3dby h PHE 210 CO -0.08 0.20 0.04 -0.07 -2.23 0.00 0.00 178.31 176.16 3dby h LEU 211 N 0.49 0.63 -0.42 0.59 3.38 0.09 -0.89 115.31 119.18 3dby h LEU 211 Ca 0.26 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3dby h LEU 211 Cb 0.23 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dby h LEU 211 CO -0.21 0.68 -0.47 0.45 0.09 0.00 0.00 178.44 178.98 3dby h HIS 212 N 0.64 1.00 -0.66 1.13 3.86 -0.44 -1.98 115.15 118.70 3dby h HIS 212 Ca 0.14 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 3dby h HIS 212 Cb 0.35 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3dby h HIS 212 CO 0.02 1.12 0.22 0.93 0.86 0.00 0.00 177.93 181.08 3dby h GLU 213 N 0.65 1.01 -0.38 2.45 5.08 -0.30 -1.69 114.58 121.40 3dby h GLU 213 Ca 0.04 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3dby h GLU 213 Cb 1.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3dby h GLU 213 CO 0.10 0.88 0.07 0.28 -1.00 0.00 0.00 179.01 179.34 3dby h VAL 214 N 0.95 1.23 -0.61 3.13 2.07 -1.17 -0.73 116.25 121.12 3dby h VAL 214 Ca 0.21 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.98 3dby h VAL 214 Cb 0.27 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3dby h VAL 214 CO -0.01 0.28 0.31 -0.08 0.02 0.00 0.00 177.57 178.09 3dby h GLU 215 N 0.46 0.55 -0.31 1.57 4.81 -1.19 0.15 114.58 120.63 3dby h GLU 215 Ca 0.12 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3dby h GLU 215 Cb 0.34 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3dby h GLU 215 CO 0.00 0.37 0.17 0.93 -0.73 0.00 0.00 179.01 179.75 3dby h GLU 216 N 0.57 0.34 -0.87 1.92 4.39 -1.13 -0.21 114.58 119.59 3dby h GLU 216 Ca 0.28 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.01 3dby h GLU 216 Cb 0.22 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.74 3dby h GLU 216 CO -0.20 0.22 0.55 -0.07 -1.16 0.00 0.00 179.01 178.35 3dby h LEU 217 N 0.35 0.88 -0.30 1.33 3.38 -0.40 -1.01 115.31 119.54 3dby h LEU 217 Ca 0.12 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 217 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3dby h LEU 217 CO -0.07 0.58 0.00 -0.33 0.09 0.00 0.00 178.44 178.71 3dby h GLU 218 N 1.02 0.52 -0.48 1.13 4.39 -0.42 0.67 114.58 121.42 3dby h GLU 218 Ca 0.37 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 3dby h GLU 218 Cb 0.12 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3dby h GLU 218 CO -0.16 0.67 0.15 -0.07 -1.16 0.00 0.00 179.01 178.44 3dby h LEU 219 N 0.32 0.70 -0.48 1.33 3.38 -0.79 -2.32 115.31 117.45 3dby h LEU 219 Ca 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3dby h LEU 219 Cb 0.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3dby h LEU 219 CO 0.01 0.72 0.00 -1.54 0.09 0.00 0.00 178.44 177.72 3dby n SER 220 N -4.52 0.72 -2.70 -0.43 3.41 -0.40 -4.89 113.62 104.79 3dby n SER 220 Ca 0.01 -1.57 -0.21 0.00 -0.26 0.00 0.00 58.87 56.84 3dby n SER 220 Cb 0.19 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3dby n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dby n ASN 221 N -0.30 -5.78 -0.75 4.04 3.02 0.05 -4.86 115.26 110.68 3dby n ASN 221 Ca 0.14 -0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.68 3dby n ASN 221 Cb 0.17 -4.75 0.32 0.00 -0.61 0.00 0.00 39.78 34.91 3dby n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dby n GLU 222 N -3.46 2.00 -4.77 3.52 1.02 0.21 -4.85 120.64 114.32 3dby n GLU 222 Ca -0.18 -1.49 -0.25 0.00 -0.02 0.00 0.00 57.16 55.23 3dby n GLU 222 Cb 0.65 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.46 3dby n GLU 222 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dby s VAL 223 N -1.83 1.48 -0.27 2.62 0.11 -1.22 -5.00 120.40 116.29 3dby s VAL 223 Ca 0.34 -0.92 -0.20 0.00 -2.93 0.00 0.00 61.98 58.27 3dby s VAL 223 Cb 0.20 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 3dby s VAL 223 CO 0.30 0.32 0.61 -0.76 -3.33 0.00 0.00 175.10 172.24 3dby s LEU 224 N -0.70 4.08 0.17 2.54 1.43 -1.26 -4.91 118.68 120.03 3dby s LEU 224 Ca 0.07 0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 53.53 3dby s LEU 224 Cb -0.08 -2.81 0.07 0.00 0.03 0.00 0.00 46.19 43.40 3dby s LEU 224 CO 0.00 -0.39 0.99 -0.94 0.23 0.00 0.00 176.35 176.24 3dby s SER 225 N 1.53 -0.11 -0.24 2.29 1.04 -1.26 -1.36 113.70 115.59 3dby s SER 225 Ca 0.25 -0.52 0.13 0.00 0.48 0.00 0.00 55.95 56.30 3dby s SER 225 Cb -0.15 0.50 0.60 0.00 0.10 0.00 0.00 66.02 67.06 3dby s SER 225 CO 0.09 -0.95 1.55 1.33 0.98 0.00 0.00 173.24 176.24 3dby n VAL 226 N -0.55 2.54 -2.34 5.02 0.24 0.43 -4.91 118.33 118.77 3dby n VAL 226 Ca -0.05 -1.98 -0.26 0.00 -2.04 0.00 0.00 64.34 60.00 3dby n VAL 226 Cb 0.60 -0.30 0.15 0.00 -1.47 0.00 0.00 33.84 32.82 3dby n VAL 226 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dby s LEU 227 N -2.96 2.87 0.03 1.34 1.43 -1.26 -5.01 118.68 115.11 3dby s LEU 227 Ca 0.47 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3dby s LEU 227 Cb 0.39 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3dby s LEU 227 CO 0.08 -2.29 -0.00 -0.94 0.23 0.00 0.00 176.35 173.44 3dby s SER 228 N -4.83 0.26 0.32 2.29 1.04 -1.26 -5.03 113.70 106.48 3dby s SER 228 Ca 0.70 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 56.57 3dby s SER 228 Cb -0.04 0.14 0.57 0.00 0.10 0.00 0.00 66.02 66.79 3dby s SER 228 CO 0.48 -0.39 1.94 0.00 0.98 0.00 0.00 173.24 176.25 3dby h ALA 229 N 4.20 1.54 -0.77 5.32 0.00 -1.87 -2.62 119.26 125.06 3dby h ALA 229 Ca -0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3dby h ALA 229 Cb 1.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3dby h ALA 229 CO 0.47 0.36 0.32 -0.09 0.00 0.00 0.00 179.25 180.31 3dby h ARG 230 N 0.97 1.14 -0.68 0.00 2.43 -1.96 -0.20 114.38 116.08 3dby h ARG 230 Ca 0.34 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3dby h ARG 230 Cb 0.12 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3dby h ARG 230 CO -0.11 0.91 0.37 1.98 -1.51 0.00 0.00 179.97 181.61 3dby h MET 231 N 1.12 0.95 -0.42 0.20 4.05 -1.90 0.58 114.93 119.51 3dby h MET 231 Ca 0.26 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 3dby h MET 231 Cb 0.19 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3dby h MET 231 CO -0.02 0.71 0.15 0.00 0.23 0.00 0.00 176.91 177.97 3dby h ALA 232 N 1.18 0.54 0.57 0.39 0.00 -1.10 0.22 119.26 121.07 3dby h ALA 232 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dby h ALA 232 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dby h ALA 232 CO -0.04 0.17 -0.47 0.22 0.00 0.00 0.00 179.25 179.13 3dby h ASP 233 N 0.53 -1.25 -0.80 0.00 3.58 -1.01 -1.43 116.42 116.05 3dby h ASP 233 Ca 0.14 0.09 0.16 0.00 0.42 0.00 0.00 57.03 57.84 3dby h ASP 233 Cb 0.23 0.40 -0.15 0.00 1.72 0.00 0.00 39.33 41.52 3dby h ASP 233 CO -0.01 -0.66 -0.20 -0.74 -2.88 0.00 0.00 179.24 174.75 3dby h HIS 234 N -1.02 -0.43 -0.63 0.28 2.76 -0.81 0.11 115.15 115.42 3dby h HIS 234 Ca -0.07 0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 3dby h HIS 234 Cb 0.86 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 3dby h HIS 234 CO -0.19 -0.34 0.03 0.52 -1.30 0.00 0.00 177.93 176.65 3dby h MET 235 N -0.00 1.08 -0.25 5.26 2.86 -0.80 -2.67 114.93 120.42 3dby h MET 235 Ca 0.38 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3dby h MET 235 Cb 0.58 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3dby h MET 235 CO -0.82 1.03 -0.25 0.00 1.06 0.00 0.00 176.91 177.92 3dby h ALA 236 N 1.03 1.11 -0.19 6.32 0.00 -0.27 -2.11 119.26 125.15 3dby h ALA 236 Ca 0.18 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3dby h ALA 236 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3dby h ALA 236 CO 0.03 0.55 -0.23 0.00 0.00 0.00 0.00 179.25 179.60 3dby h ARG 237 N 0.41 0.34 -0.04 0.00 3.08 -0.50 -1.78 114.38 115.90 3dby h ARG 237 Ca 0.06 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 3dby h ARG 237 Cb 0.66 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3dby h ARG 237 CO 0.05 0.56 -0.87 0.93 -1.07 0.00 0.00 179.97 179.57 3dby h GLU 238 N 0.31 0.49 -0.49 0.04 5.08 -1.24 -2.07 114.58 116.69 3dby h GLU 238 Ca 0.05 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 3dby h GLU 238 Cb 0.58 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3dby h GLU 238 CO 0.04 1.11 -0.04 0.93 -1.00 0.00 0.00 179.01 180.06 3dby h GLU 239 N 0.30 0.84 -0.28 2.33 4.39 -1.14 -0.43 114.58 120.59 3dby h GLU 239 Ca -0.07 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3dby h GLU 239 Cb 1.49 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 3dby h GLU 239 CO 0.16 0.87 0.18 0.00 -1.16 0.00 0.00 179.01 179.06 3dby h TYR 241 N 0.38 0.54 0.01 0.00 3.20 -0.95 -1.22 116.97 118.92 3dby h TYR 241 Ca 0.11 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3dby h TYR 241 Cb -0.03 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.08 3dby h TYR 241 CO -0.06 0.26 -0.01 -0.92 -1.64 0.00 0.00 178.16 175.79 3dby h TYR 242 N 0.56 -0.01 -0.61 -3.82 3.20 -0.84 -1.76 116.97 113.69 3dby h TYR 242 Ca 0.25 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.24 3dby h TYR 242 Cb 0.15 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.33 3dby h TYR 242 CO -0.10 0.06 0.07 1.25 -1.64 0.00 0.00 178.16 177.80 3dby h LEU 243 N -0.08 -0.12 -0.17 2.82 5.85 -0.70 -0.26 115.31 122.64 3dby h LEU 243 Ca -0.00 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3dby h LEU 243 Cb 0.08 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3dby h LEU 243 CO 0.00 -0.05 -0.08 0.25 -0.34 0.00 0.00 178.44 178.22 3dby h LEU 244 N 0.19 -0.27 -1.26 2.25 5.85 -0.98 0.14 115.31 121.24 3dby h LEU 244 Ca 0.32 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 3dby h LEU 244 Cb 0.50 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3dby h LEU 244 CO -0.46 -0.11 -0.36 0.11 -0.34 0.00 0.00 178.44 177.28 3dby h LYS 245 N -0.06 0.00 -0.08 1.25 1.79 -0.89 -0.98 116.57 117.60 3dby h LYS 245 Ca 0.09 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.34 3dby h LYS 245 Cb 0.20 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 3dby h LYS 245 CO -0.21 0.36 -0.83 -0.07 -1.08 0.00 0.00 179.45 177.62 3dby h LEU 246 N 0.00 0.88 -0.34 2.94 3.38 -0.39 -1.56 115.31 120.22 3dby h LEU 246 Ca -0.00 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 3dby h LEU 246 Cb 0.68 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3dby h LEU 246 CO 0.05 1.43 0.14 0.00 0.09 0.00 0.00 178.44 180.14 3dby h ALA 247 N 0.47 0.44 0.24 1.53 0.00 -0.48 0.69 119.26 122.15 3dby h ALA 247 Ca -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3dby h ALA 247 Cb 1.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3dby h ALA 247 CO 0.17 0.04 -0.11 1.96 0.00 0.00 0.00 179.25 181.30 3dby h GLN 248 N 0.41 -0.31 0.00 0.00 4.20 -1.25 0.40 115.11 118.56 3dby h GLN 248 Ca 0.11 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3dby h GLN 248 Cb 0.17 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3dby h GLN 248 CO -0.01 -0.06 -0.08 0.66 -0.67 0.00 0.00 178.83 178.66 3dby h SER 249 N -0.51 0.00 0.00 1.46 4.64 -1.28 -3.31 113.55 114.55 3dby h SER 249 Ca -0.03 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 3dby h SER 249 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3dby h SER 249 CO 0.05 0.08 -1.76 -0.24 -0.87 0.00 0.00 176.83 174.09 3dby n SER 250 N -3.20 1.69 -0.11 4.97 2.88 0.23 -4.60 113.62 115.47 3dby n SER 250 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3dby n SER 250 Cb 0.38 1.34 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 3dby n SER 250 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dby n GLY 251 N 1.87 1.14 4.02 0.46 0.00 0.11 -5.04 105.19 107.75 3dby n GLY 251 Ca -0.10 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 3dby n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 252 N -0.23 3.54 0.19 0.99 1.43 0.23 -5.03 118.68 119.80 3dby s LEU 252 Ca 0.00 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 3dby s LEU 252 Cb 0.00 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.71 3dby s LEU 252 CO 0.00 -0.89 1.05 -1.61 0.23 0.00 0.00 176.35 175.13 3dby s GLU 253 N -4.42 4.66 0.11 1.70 2.02 -1.26 -4.55 118.70 116.96 3dby s GLU 253 Ca 0.56 1.64 -0.35 0.00 0.02 0.00 0.00 54.97 56.84 3dby s GLU 253 Cb -0.09 -3.29 -0.17 0.00 0.10 0.00 0.00 34.13 30.69 3dby s GLU 253 CO 0.34 0.18 1.21 -1.33 0.02 0.00 0.00 175.26 175.68 3dby n MET 254 N 2.18 0.95 -1.79 1.61 2.81 -1.26 -4.85 117.12 116.76 3dby n MET 254 Ca 0.01 0.34 -0.32 0.00 -1.81 0.00 0.00 57.70 55.92 3dby n MET 254 Cb 0.47 -1.89 0.04 0.00 -0.71 0.00 0.00 33.22 31.13 3dby n MET 254 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3dby s PRO 255 N 0.05 2.99 -1.24 0.03 0.04 -1.26 -4.94 135.00 130.67 3dby s PRO 255 Ca 0.80 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 3dby s PRO 255 Cb -0.96 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 31.74 3dby s PRO 255 CO 0.51 -1.08 1.52 1.17 0.04 0.00 0.00 177.00 179.16 3dby n LYS 256 N -2.49 3.34 -3.48 4.56 4.81 -1.26 -4.90 118.16 118.73 3dby n LYS 256 Ca 0.09 -3.71 -0.16 0.00 -0.87 0.00 0.00 58.31 53.66 3dby n LYS 256 Cb 0.53 -3.13 -0.05 0.00 0.02 0.00 0.00 35.03 32.40 3dby n LYS 256 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dby s ASN 258 N -1.77 4.91 0.00 0.00 2.47 -1.26 -4.94 114.94 114.35 3dby s ASN 258 Ca -0.06 -1.12 0.26 0.00 0.42 0.00 0.00 52.86 52.35 3dby s ASN 258 Cb -0.00 -1.75 1.53 0.00 -1.45 0.00 0.00 41.25 39.57 3dby s ASN 258 CO 0.01 -0.25 1.95 -0.81 -3.72 0.00 0.00 177.10 174.29 3dby n PRO 259 N 4.69 0.95 -0.09 0.43 -0.04 -1.26 -3.85 135.00 135.82 3dby n PRO 259 Ca -0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.21 3dby n PRO 259 Cb 0.45 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 3dby n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dby n LEU 260 N -0.92 1.60 0.00 1.53 4.77 -1.26 -4.79 117.00 117.93 3dby n LEU 260 Ca 0.19 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3dby n LEU 260 Cb 0.09 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3dby n LEU 260 CO 0.14 0.65 0.01 1.21 -1.33 0.00 0.00 177.39 178.08