#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 0.28 -0.54 1.20 3.20 -1.94 -2.32 116.97 116.85 3dby h TYR 6 Ca 0.00 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 3dby h TYR 6 Cb 0.00 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3dby h TYR 6 CO 0.00 0.62 0.22 0.93 -1.64 0.00 0.00 178.16 178.28 3dby h GLU 7 N -0.13 0.78 0.12 1.82 4.39 -1.98 0.13 114.58 119.70 3dby h GLU 7 Ca 0.02 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3dby h GLU 7 Cb 0.55 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3dby h GLU 7 CO 0.02 0.64 -0.06 1.49 -1.16 0.00 0.00 179.01 179.94 3dby h GLU 8 N 0.77 -0.16 0.06 2.33 4.81 -1.98 -1.38 114.58 119.04 3dby h GLU 8 Ca 0.18 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3dby h GLU 8 Cb 0.15 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3dby h GLU 8 CO -0.02 0.18 -0.19 0.77 -0.73 0.00 0.00 179.01 179.02 3dby h SER 9 N -0.52 -0.55 -0.16 1.04 0.02 -1.17 -1.77 113.55 110.43 3dby h SER 9 Ca -0.02 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3dby h SER 9 Cb 0.41 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3dby h SER 9 CO 0.03 -0.27 0.01 0.00 -1.14 0.00 0.00 176.83 175.46 3dby h ALA 10 N 0.51 0.15 -0.37 3.77 0.00 -0.81 -0.48 119.26 122.02 3dby h ALA 10 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3dby h ALA 10 Cb 0.39 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3dby h ALA 10 CO -0.14 -0.43 0.04 1.25 0.00 0.00 0.00 179.25 179.97 3dby h LEU 11 N 0.07 -0.07 -0.31 0.00 5.85 -1.17 -0.93 115.31 118.75 3dby h LEU 11 Ca 0.08 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3dby h LEU 11 Cb 0.08 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3dby h LEU 11 CO -0.12 0.00 0.15 0.15 -0.34 0.00 0.00 178.44 178.28 3dby h PHE 12 N 0.15 0.45 -0.10 1.25 3.57 -0.71 -0.13 116.94 121.41 3dby h PHE 12 Ca 0.18 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3dby h PHE 12 Cb 0.23 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3dby h PHE 12 CO -0.22 0.40 -0.02 0.93 -2.23 0.00 0.00 178.31 177.17 3dby h GLU 13 N 0.37 0.19 -0.64 1.11 4.39 -0.78 -1.30 114.58 117.91 3dby h GLU 13 Ca 0.11 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.81 3dby h GLU 13 Cb 0.12 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 3dby h GLU 13 CO -0.01 0.50 0.32 0.45 -1.16 0.00 0.00 179.01 179.10 3dby h HIS 14 N -0.13 0.57 -0.21 4.33 3.86 -1.16 -0.32 115.15 122.10 3dby h HIS 14 Ca 0.03 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3dby h HIS 14 Cb 0.42 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3dby h HIS 14 CO 0.05 0.23 -0.07 1.96 0.86 0.00 0.00 177.93 180.96 3dby h GLN 15 N 0.57 0.41 0.19 2.45 4.20 -0.76 -0.42 115.11 121.76 3dby h GLN 15 Ca 0.30 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.86 3dby h GLN 15 Cb 0.27 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3dby h GLN 15 CO -0.23 0.68 -0.29 0.35 -0.67 0.00 0.00 178.83 178.66 3dby h PHE 16 N 0.13 -0.79 -0.03 2.96 3.57 -1.08 -2.98 116.94 118.71 3dby h PHE 16 Ca 0.05 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 3dby h PHE 16 Cb 0.54 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3dby h PHE 16 CO 0.06 -0.41 -0.87 -1.49 -2.23 0.00 0.00 178.31 173.37 3dby h TRP 17 N -0.56 0.63 -0.04 0.41 4.06 -1.00 -2.17 115.95 117.28 3dby h TRP 17 Ca 0.01 -0.32 -0.13 0.00 2.06 0.00 0.00 58.89 60.52 3dby h TRP 17 Cb 0.55 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 3dby h TRP 17 CO -0.23 1.12 -0.55 -0.07 -3.56 0.00 0.00 178.44 175.15 3dby h LEU 18 N 0.27 0.13 -0.40 -4.49 3.38 -1.14 -0.14 115.31 112.92 3dby h LEU 18 Ca -0.06 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3dby h LEU 18 Cb 1.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 3dby h LEU 18 CO 0.15 0.66 -0.01 0.50 0.09 0.00 0.00 178.44 179.83 3dby h LYS 19 N 0.09 0.72 -0.50 1.13 1.63 -1.44 -0.03 116.57 118.16 3dby h LYS 19 Ca -0.00 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 3dby h LYS 19 Cb 1.00 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 3dby h LYS 19 CO 0.08 0.81 0.29 0.28 -3.45 0.00 0.00 179.45 177.46 3dby h VAL 20 N 0.54 1.17 -0.15 2.00 2.07 -1.08 0.22 116.25 121.02 3dby h VAL 20 Ca 0.11 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 3dby h VAL 20 Cb 0.50 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3dby h VAL 20 CO 0.02 0.17 -0.52 -0.07 0.02 0.00 0.00 177.57 177.19 3dby h LEU 21 N 0.67 0.48 -0.90 2.57 3.38 -0.99 -1.49 115.31 119.03 3dby h LEU 21 Ca 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3dby h LEU 21 Cb 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3dby h LEU 21 CO -0.03 0.92 0.56 0.74 0.09 0.00 0.00 178.44 180.72 3dby h THR 22 N 0.34 1.24 -0.39 0.22 2.02 -0.45 -2.56 112.91 113.33 3dby h THR 22 Ca 0.01 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3dby h THR 22 Cb 1.03 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3dby h THR 22 CO 0.09 0.25 0.24 0.44 0.37 0.00 0.00 175.52 176.91 3dby h ASP 23 N 1.24 0.39 -0.13 4.18 3.45 -0.52 -1.79 116.42 123.25 3dby h ASP 23 Ca 0.33 -0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.80 3dby h ASP 23 Cb -0.08 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 3dby h ASP 23 CO -0.06 0.28 0.03 0.45 -1.57 0.00 0.00 179.24 178.37 3dby h HIS 24 N 0.48 0.06 -0.42 4.55 3.86 -1.12 0.73 115.15 123.29 3dby h HIS 24 Ca 0.15 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 3dby h HIS 24 Cb -0.01 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3dby h HIS 24 CO -0.07 0.03 0.20 0.00 0.86 0.00 0.00 177.93 178.95 3dby h ALA 25 N 1.08 0.52 -0.25 2.45 0.00 -1.41 0.21 119.26 121.87 3dby h ALA 25 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dby h ALA 25 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dby h ALA 25 CO -0.06 -0.16 0.10 0.37 0.00 0.00 0.00 179.25 179.50 3dby h GLN 26 N 0.41 0.36 -0.51 0.00 5.75 -0.86 0.03 115.11 120.28 3dby h GLN 26 Ca 0.18 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3dby h GLN 26 Cb 0.11 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3dby h GLN 26 CO -0.14 0.39 0.33 0.74 -2.65 0.00 0.00 178.83 177.50 3dby h PHE 27 N 0.25 0.65 -0.44 3.99 0.04 0.89 -1.39 116.94 120.93 3dby h PHE 27 Ca 0.08 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 3dby h PHE 27 Cb 0.16 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 3dby h PHE 27 CO -0.01 0.42 0.15 -0.07 -0.60 0.00 0.00 178.31 178.20 3dby h LEU 28 N 0.69 0.63 -0.62 1.54 3.38 -0.55 -2.14 115.31 118.23 3dby h LEU 28 Ca 0.19 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3dby h LEU 28 Cb -0.06 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3dby h LEU 28 CO -0.04 0.65 0.29 0.25 0.09 0.00 0.00 178.44 179.69 3dby h LEU 29 N 0.57 0.38 -0.17 1.67 5.85 -0.61 -2.27 115.31 120.72 3dby h LEU 29 Ca 0.14 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3dby h LEU 29 Cb 0.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3dby h LEU 29 CO -0.01 0.23 0.00 0.44 -0.34 0.00 0.00 178.44 178.77 3dby h ASP 30 N 0.53 0.00 0.76 1.25 3.45 -0.95 -3.22 116.42 118.24 3dby h ASP 30 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 3dby h ASP 30 Cb 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 3dby h ASP 30 CO -0.24 0.00 -0.94 0.00 -1.57 0.00 0.00 179.24 176.49 3dby n ALA 31 N -1.84 2.88 -1.77 3.45 0.00 -0.83 -4.92 120.51 117.48 3dby n ALA 31 Ca 0.05 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.79 3dby n ALA 31 Cb 0.41 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 3dby n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dby s LEU 32 N -4.60 4.51 0.32 0.00 1.43 -0.90 -0.31 118.68 119.13 3dby s LEU 32 Ca 0.02 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 3dby s LEU 32 Cb 0.12 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 3dby s LEU 32 CO 0.78 -0.26 1.33 0.00 0.23 0.00 0.00 176.35 178.43 3dby s ALA 33 N -1.11 3.52 0.44 4.21 0.00 -0.87 -4.90 121.76 123.06 3dby s ALA 33 Ca 0.46 1.28 0.30 0.00 0.00 0.00 0.00 51.96 53.99 3dby s ALA 33 Cb -0.34 -3.49 1.41 0.00 0.00 0.00 0.00 23.12 20.70 3dby s ALA 33 CO 0.44 -0.67 1.64 -1.35 0.00 0.00 0.00 175.76 175.82 3dby h PRO 34 N 3.61 0.10 0.00 0.00 0.11 -1.95 0.23 132.00 134.11 3dby h PRO 34 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dby h PRO 34 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dby h PRO 34 CO 0.67 0.07 0.00 0.36 -0.21 0.00 0.00 178.00 178.89 3dby n LYS 35 N -4.66 0.09 -1.91 1.05 2.85 -1.26 -4.07 118.16 110.26 3dby n LYS 35 Ca 0.36 0.40 -0.37 0.00 -1.05 0.00 0.00 58.31 57.65 3dby n LYS 35 Cb 1.40 -1.70 -0.01 0.00 -0.65 0.00 0.00 35.03 34.07 3dby n LYS 35 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3dby n GLU 36 N -1.87 4.19 -0.27 -1.58 -0.58 0.81 -4.77 120.64 116.56 3dby n GLU 36 Ca 0.02 -3.27 0.03 0.00 -0.42 0.00 0.00 57.16 53.52 3dby n GLU 36 Cb 0.15 -2.53 0.16 0.00 -0.57 0.00 0.00 31.44 28.65 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 4.27 0.68 -0.48 3.49 1.79 -1.83 -2.23 116.57 122.26 3dby h LYS 37 Ca 0.64 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.96 3dby h LYS 37 Cb 0.39 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 3dby h LYS 37 CO 1.35 0.45 -0.14 0.93 -1.08 0.00 0.00 179.45 180.96 3dby h GLU 38 N 0.70 0.93 0.00 3.15 4.39 -1.95 -1.82 114.58 119.98 3dby h GLU 38 Ca 0.39 -0.37 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3dby h GLU 38 Cb 0.41 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3dby h GLU 38 CO -0.27 1.03 -0.54 -0.44 -1.16 0.00 0.00 179.01 177.62 3dby h ASP 39 N 0.78 0.00 -0.68 1.42 3.32 -1.88 -2.32 116.42 117.06 3dby h ASP 39 Ca 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3dby h ASP 39 Cb 0.69 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3dby h ASP 39 CO 0.05 0.54 0.14 0.40 -1.72 0.00 0.00 179.24 178.66 3dby h ILE 40 N 0.00 1.26 -0.63 0.35 2.04 -1.26 0.16 117.51 119.43 3dby h ILE 40 Ca -0.01 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3dby h ILE 40 Cb 1.07 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3dby h ILE 40 CO 0.07 0.38 0.33 0.50 0.00 0.00 0.00 178.15 179.43 3dby h LYS 41 N 1.03 0.89 -0.24 2.37 3.64 -1.17 0.22 116.57 123.32 3dby h LYS 41 Ca 0.21 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3dby h LYS 41 Cb 0.40 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3dby h LYS 41 CO 0.01 0.69 0.01 0.87 -2.27 0.00 0.00 179.45 178.76 3dby h LYS 42 N 0.86 0.42 -0.83 1.90 1.57 -1.11 -0.79 116.57 118.58 3dby h LYS 42 Ca 0.22 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3dby h LYS 42 Cb 0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3dby h LYS 42 CO -0.03 0.59 0.40 0.00 -0.57 0.00 0.00 179.45 179.83 3dby h ALA 43 N 0.82 1.13 -0.70 3.86 0.00 -0.45 -0.38 119.26 123.53 3dby h ALA 43 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dby h ALA 43 Cb 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dby h ALA 43 CO 0.01 0.66 0.41 1.15 0.00 0.00 0.00 179.25 181.48 3dby h THR 44 N 1.19 1.20 -0.99 0.00 2.02 -0.43 0.23 112.91 116.13 3dby h THR 44 Ca 0.29 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 67.07 3dby h THR 44 Cb 0.12 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 66.72 3dby h THR 44 CO -0.04 0.21 0.64 0.22 0.37 0.00 0.00 175.52 176.93 3dby h TYR 45 N 0.95 1.18 -0.05 3.16 3.20 -0.45 -2.31 116.97 122.65 3dby h TYR 45 Ca 0.25 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.98 3dby h TYR 45 Cb -0.02 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.85 3dby h TYR 45 CO -0.01 0.62 -0.72 0.74 -1.64 0.00 0.00 178.16 177.16 3dby h PHE 46 N 1.17 0.39 0.18 -3.82 0.04 -0.32 -0.10 116.94 114.48 3dby h PHE 46 Ca 0.42 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 3dby h PHE 46 Cb 0.14 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3dby h PHE 46 CO -0.00 0.91 -0.09 0.28 -0.60 0.00 0.00 178.31 178.81 3dby h VAL 47 N 0.20 0.87 -0.27 -0.55 2.07 -0.62 -1.29 116.25 116.66 3dby h VAL 47 Ca -0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3dby h VAL 47 Cb 1.28 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3dby h VAL 47 CO 0.11 0.06 0.17 -0.33 0.02 0.00 0.00 177.57 177.61 3dby h GLU 48 N -0.36 0.36 -0.23 1.57 4.39 -1.39 -2.06 114.58 116.85 3dby h GLU 48 Ca -0.02 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.69 3dby h GLU 48 Cb 0.28 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3dby h GLU 48 CO 0.04 0.25 -0.02 1.15 -1.16 0.00 0.00 179.01 179.28 3dby h THR 49 N 0.36 0.81 0.03 1.13 2.02 -0.92 -0.81 112.91 115.54 3dby h THR 49 Ca 0.10 -0.02 -0.22 0.00 0.77 0.00 0.00 66.41 67.04 3dby h THR 49 Cb -0.02 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3dby h THR 49 CO -0.02 0.01 -0.99 -0.26 0.37 0.00 0.00 175.52 174.63 3dby h PHE 50 N 0.05 0.27 -0.46 3.16 0.04 -1.24 -2.40 116.94 116.36 3dby h PHE 50 Ca 0.11 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.71 3dby h PHE 50 Cb 0.15 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3dby h PHE 50 CO -0.21 1.05 0.30 1.15 -0.60 0.00 0.00 178.31 180.00 3dby h THR 51 N 0.08 1.11 0.64 -1.55 2.02 -1.25 -1.38 112.91 112.58 3dby h THR 51 Ca -0.06 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3dby h THR 51 Cb 1.67 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3dby h THR 51 CO 0.15 0.11 -0.31 0.78 0.37 0.00 0.00 175.52 176.62 3dby h ASN 52 N 0.62 -0.73 -0.93 4.18 2.35 -1.08 -1.98 115.58 118.01 3dby h ASN 52 Ca 0.17 0.01 0.26 0.00 -0.55 0.00 0.00 56.30 56.19 3dby h ASN 52 Cb -0.07 0.19 -0.14 0.00 0.05 0.00 0.00 38.32 38.35 3dby h ASN 52 CO -0.04 -0.49 0.38 -0.07 -1.65 0.00 0.00 177.43 175.56 3dby h LEU 53 N -0.92 0.24 -0.55 1.61 3.38 -1.41 -1.73 115.31 115.93 3dby h LEU 53 Ca -0.09 0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3dby h LEU 53 Cb 0.68 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3dby h LEU 53 CO 0.14 -0.11 -0.33 0.25 0.09 0.00 0.00 178.44 178.48 3dby h LEU 54 N 0.29 0.84 -1.54 1.67 5.85 -1.03 -2.81 115.31 118.59 3dby h LEU 54 Ca 0.61 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3dby h LEU 54 Cb 1.28 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3dby h LEU 54 CO -0.61 1.10 0.08 0.78 -0.34 0.00 0.00 178.44 179.45 3dby h ASN 55 N 0.67 0.34 -0.48 1.25 2.35 -0.55 -2.97 115.58 116.20 3dby h ASN 55 Ca 0.07 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3dby h ASN 55 Cb 0.88 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3dby h ASN 55 CO 0.08 0.34 0.00 2.29 -1.65 0.00 0.00 177.43 178.49 3dby n LYS 56 N -4.40 2.77 -0.26 0.81 2.85 -1.01 -4.51 118.16 114.41 3dby n LYS 56 Ca 0.01 -2.26 -0.02 0.00 -1.05 0.00 0.00 58.31 54.99 3dby n LYS 56 Cb 0.15 -1.38 0.17 0.00 -0.65 0.00 0.00 35.03 33.32 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 2.89 1.23 0.00 0.58 3.04 -1.33 -1.57 116.25 121.09 3dby h VAL 57 Ca 0.00 -0.53 -0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3dby h VAL 57 Cb 0.82 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 3dby h VAL 57 CO 0.00 0.25 -0.01 0.03 -1.01 0.00 0.00 177.57 176.82 3dby h ARG 58 N 1.11 0.00 -0.46 4.17 3.08 -1.80 -3.35 114.38 117.13 3dby h ARG 58 Ca 0.29 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.15 3dby h ARG 58 Cb -0.02 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.92 3dby h ARG 58 CO -0.05 0.01 0.08 0.09 -1.07 0.00 0.00 179.97 179.03 3dby n ASN 59 N -3.12 3.26 -4.26 7.04 5.03 -0.59 -5.02 115.26 117.59 3dby n ASN 59 Ca 0.00 -3.51 -0.14 0.00 0.87 0.00 0.00 54.58 51.80 3dby n ASN 59 Cb 0.29 -0.65 -0.10 0.00 -1.02 0.00 0.00 39.78 38.30 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3dby s VAL 60 N -3.13 0.40 -0.25 2.41 -7.23 -1.23 -5.10 120.40 106.28 3dby s VAL 60 Ca 0.47 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 3dby s VAL 60 Cb 0.40 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 3dby s VAL 60 CO 0.05 -0.13 1.64 0.21 -0.31 0.00 0.00 175.10 176.56 3dby s ASN 61 N -3.22 6.29 0.28 4.85 2.47 -1.26 -4.93 114.94 119.42 3dby s ASN 61 Ca 0.34 1.54 -0.02 0.00 0.42 0.00 0.00 52.86 55.13 3dby s ASN 61 Cb 0.07 -2.53 0.41 0.00 -1.45 0.00 0.00 41.25 37.75 3dby s ASN 61 CO 0.10 -1.34 1.94 -0.07 -3.72 0.00 0.00 177.10 174.01 3dby h LEU 62 N 12.06 1.00 -0.75 3.21 3.38 -1.98 0.74 115.31 132.97 3dby h LEU 62 Ca -0.33 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 3dby h LEU 62 Cb 1.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3dby h LEU 62 CO 1.01 0.70 -0.03 0.24 0.09 0.00 0.00 178.44 180.45 3dby h MET 63 N 1.17 0.92 0.00 1.13 2.86 -1.92 -0.54 114.93 118.56 3dby h MET 63 Ca 0.35 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3dby h MET 63 Cb -0.04 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.53 3dby h MET 63 CO -0.10 0.93 -0.00 0.00 1.06 0.00 0.00 176.91 178.80 3dby h ALA 64 N 1.12 -0.00 -0.73 6.32 0.00 -1.75 -3.11 119.26 121.10 3dby h ALA 64 Ca 0.15 -0.32 0.15 0.00 0.00 0.00 0.00 54.91 54.89 3dby h ALA 64 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 3dby h ALA 64 CO 0.03 -0.18 -0.11 0.35 0.00 0.00 0.00 179.25 179.34 3dby h PHE 65 N -0.65 -0.26 -1.02 0.00 3.57 -0.88 -1.23 116.94 116.47 3dby h PHE 65 Ca -0.00 0.06 0.26 0.00 3.53 0.00 0.00 57.97 61.82 3dby h PHE 65 Cb 0.65 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.53 3dby h PHE 65 CO 0.15 -0.29 0.67 0.77 -2.23 0.00 0.00 178.31 177.39 3dby h SER 66 N 0.04 0.39 0.38 0.41 0.02 -1.03 0.23 113.55 114.00 3dby h SER 66 Ca 0.37 0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 61.21 3dby h SER 66 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3dby h SER 66 CO -0.71 0.09 -0.73 0.11 -1.14 0.00 0.00 176.83 174.45 3dby h LYS 67 N 0.36 0.29 -0.09 3.45 1.57 -1.20 -1.70 116.57 119.25 3dby h LYS 67 Ca 0.57 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 3dby h LYS 67 Cb 1.51 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.88 3dby h LYS 67 CO -0.24 0.90 -0.12 1.49 -0.57 0.00 0.00 179.45 180.90 3dby h GLU 68 N 0.20 0.24 -0.61 3.15 4.81 -0.43 -2.47 114.58 119.47 3dby h GLU 68 Ca -0.03 -0.14 0.12 0.00 -0.13 0.00 0.00 59.36 59.19 3dby h GLU 68 Cb 1.29 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.58 3dby h GLU 68 CO 0.12 0.69 0.03 0.00 -0.73 0.00 0.00 179.01 179.12 3dby h ALA 69 N 0.55 0.63 -0.39 2.92 0.00 -1.13 -1.54 119.26 120.29 3dby h ALA 69 Ca 0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dby h ALA 69 Cb 0.66 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3dby h ALA 69 CO 0.03 -0.38 0.24 1.49 0.00 0.00 0.00 179.25 180.63 3dby h GLU 70 N 0.15 0.52 -0.25 0.00 4.81 -1.26 0.25 114.58 118.80 3dby h GLU 70 Ca 0.32 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3dby h GLU 70 Cb 0.51 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3dby h GLU 70 CO -0.49 0.38 0.10 0.37 -0.73 0.00 0.00 179.01 178.63 3dby h GLN 71 N 0.51 0.21 -0.67 1.92 5.75 -1.06 -0.20 115.11 121.57 3dby h GLN 71 Ca 0.14 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3dby h GLN 71 Cb -0.01 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3dby h GLN 71 CO -0.03 0.14 0.24 0.00 -2.65 0.00 0.00 178.83 176.53 3dby h ALA 72 N 1.15 0.87 -0.79 3.38 0.00 -0.66 -1.73 119.26 121.48 3dby h ALA 72 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3dby h ALA 72 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3dby h ALA 72 CO -0.10 0.52 0.42 0.00 0.00 0.00 0.00 179.25 180.09 3dby h ALA 73 N 1.10 1.01 -0.14 0.00 0.00 -0.27 -1.12 119.26 119.83 3dby h ALA 73 Ca 0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 73 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dby h ALA 73 CO -0.01 0.53 -0.25 0.87 0.00 0.00 0.00 179.25 180.38 3dby h LYS 74 N 1.09 0.25 -0.33 0.00 1.57 -0.68 -0.28 116.57 118.20 3dby h LYS 74 Ca 0.28 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 3dby h LYS 74 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3dby h LYS 74 CO -0.04 0.50 -0.26 0.93 -0.57 0.00 0.00 179.45 180.00 3dby h GLU 75 N 0.23 0.75 -0.08 3.15 5.08 -0.77 -1.96 114.58 120.98 3dby h GLU 75 Ca 0.04 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 57.88 3dby h GLU 75 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3dby h GLU 75 CO 0.04 1.00 -0.59 0.97 -1.00 0.00 0.00 179.01 179.42 3dby h ILE 76 N 0.52 1.38 -0.28 3.13 2.10 -0.98 -2.08 117.51 121.30 3dby h ILE 76 Ca 0.06 -1.95 0.07 0.00 1.08 0.00 0.00 64.86 64.12 3dby h ILE 76 Cb 0.83 1.97 -0.08 0.00 -1.09 0.00 0.00 36.82 38.45 3dby h ILE 76 CO 0.07 0.58 -0.25 -0.09 -1.08 0.00 0.00 178.15 177.38 3dby h ARG 77 N 0.20 -0.23 -0.35 2.19 2.43 -1.02 -0.90 114.38 116.69 3dby h ARG 77 Ca -0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3dby h ARG 77 Cb 1.09 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3dby h ARG 77 CO 0.09 -0.15 0.04 0.00 -1.51 0.00 0.00 179.97 178.44 3dby h ALA 78 N 0.83 1.42 -0.06 2.80 0.00 -1.03 -1.39 119.26 121.82 3dby h ALA 78 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dby h ALA 78 Cb 0.47 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dby h ALA 78 CO -0.42 0.42 -0.01 0.35 0.00 0.00 0.00 179.25 179.59 3dby h PHE 79 N 0.52 0.13 -0.63 0.00 3.57 -1.12 -0.64 116.94 118.77 3dby h PHE 79 Ca 0.12 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.72 3dby h PHE 79 Cb 0.27 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.88 3dby h PHE 79 CO 0.01 0.42 0.11 0.87 -2.23 0.00 0.00 178.31 177.49 3dby h LYS 80 N -0.21 0.22 -0.18 1.11 1.57 -0.89 -0.09 116.57 118.11 3dby h LYS 80 Ca 0.02 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3dby h LYS 80 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3dby h LYS 80 CO 0.00 0.15 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.38 3dby h LEU 81 N 0.23 0.65 -1.29 2.94 3.38 -1.09 -0.72 115.31 119.41 3dby h LEU 81 Ca 0.34 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dby h LEU 81 Cb 0.53 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3dby h LEU 81 CO -0.45 1.09 0.31 -1.13 0.09 0.00 0.00 178.44 178.35 3dby h ASN 82 N 0.44 0.71 -0.17 -0.43 -1.24 -0.78 -1.33 115.58 112.78 3dby h ASN 82 Ca 0.00 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 3dby h ASN 82 Cb 1.14 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 3dby h ASN 82 CO 0.11 0.58 0.01 0.40 -1.29 0.00 0.00 177.43 177.24 3dby h ILE 83 N 0.80 1.24 -0.53 2.57 2.04 -0.19 -1.87 117.51 121.57 3dby h ILE 83 Ca 0.21 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.33 3dby h ILE 83 Cb 0.03 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3dby h ILE 83 CO -0.03 0.24 0.25 0.40 0.00 0.00 0.00 178.15 179.00 3dby h ILE 84 N 0.06 0.92 -0.55 -0.67 2.04 -1.04 -1.56 117.51 116.71 3dby h ILE 84 Ca 0.05 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3dby h ILE 84 Cb 0.35 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3dby h ILE 84 CO 0.01 0.09 0.30 -0.61 0.00 0.00 0.00 178.15 177.94 3dby h GLN 85 N 0.48 0.56 -0.10 2.37 4.15 -1.15 -0.04 115.11 121.39 3dby h GLN 85 Ca 0.24 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 3dby h GLN 85 Cb 0.18 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3dby h GLN 85 CO -0.18 0.37 -0.40 0.87 -1.93 0.00 0.00 178.83 177.56 3dby h LYS 86 N 0.58 0.21 -0.18 1.69 1.57 -0.90 -2.22 116.57 117.33 3dby h LYS 86 Ca 0.24 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3dby h LYS 86 Cb 0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3dby h LYS 86 CO -0.14 0.59 0.08 1.96 -0.57 0.00 0.00 179.45 181.37 3dby h GLN 87 N 0.18 0.18 0.00 3.15 4.20 -0.55 0.72 115.11 122.99 3dby h GLN 87 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3dby h GLN 87 Cb 0.79 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3dby h GLN 87 CO 0.06 0.12 0.00 -0.07 -0.67 0.00 0.00 178.83 178.27 3dby h LEU 88 N 0.18 0.00 -3.04 1.46 3.38 -0.63 -2.08 115.31 114.58 3dby h LEU 88 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dby h LEU 88 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dby h LEU 88 CO -0.05 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.86 3dby n GLU 89 N -2.53 2.77 -3.24 1.13 1.02 -0.87 -4.99 120.64 113.93 3dby n GLU 89 Ca -0.00 -2.32 -0.20 0.00 -0.02 0.00 0.00 57.16 54.62 3dby n GLU 89 Cb 0.14 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.15 -0.36 0.36 0.62 0.00 -0.01 -4.93 105.19 100.71 3dby n GLY 90 Ca 0.14 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.09 2.03 -3.65 1.61 5.02 0.23 -4.99 118.16 114.31 3dby n LYS 91 Ca -0.04 -2.55 -0.15 0.00 -2.02 0.00 0.00 58.31 53.55 3dby n LYS 91 Cb 0.57 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.63 0.03 -0.25 -0.18 2.07 -1.25 -4.91 121.20 114.09 3dby s ILE 92 Ca 0.32 -0.28 -0.03 0.00 -1.41 0.00 0.00 60.65 59.25 3dby s ILE 92 Cb 0.27 -0.81 0.02 0.00 0.13 0.00 0.00 42.46 42.07 3dby s ILE 92 CO 0.05 -0.16 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.01 3dby s THR 93 N -1.45 3.23 -0.07 4.00 2.01 -1.26 -4.82 115.64 117.28 3dby s THR 93 Ca -0.11 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 60.90 3dby s THR 93 Cb -0.03 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.90 3dby s THR 93 CO 0.05 0.21 0.34 -0.51 -0.69 0.00 0.00 174.62 174.03 3dby s ILE 94 N 1.40 0.03 -0.43 1.82 2.07 -1.26 -2.04 121.20 122.79 3dby s ILE 94 Ca 0.02 -0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.05 3dby s ILE 94 Cb -0.16 -0.57 0.58 0.00 0.13 0.00 0.00 42.46 42.43 3dby s ILE 94 CO -0.03 -0.13 1.85 1.41 -1.91 0.00 0.00 174.94 176.13 3dby n HIS 95 N 2.03 2.77 -5.12 3.50 8.25 0.58 -4.77 115.22 122.45 3dby n HIS 95 Ca -0.17 -1.84 -0.32 0.00 -0.26 0.00 0.00 57.72 55.13 3dby n HIS 95 Cb 0.57 -0.93 -0.15 0.00 1.12 0.00 0.00 29.99 30.59 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 -3.01 2.53 0.68 4.41 2.99 -1.26 -5.02 117.98 119.30 3dby s PHE 96 Ca 0.52 -0.52 -0.11 0.00 0.00 0.00 0.00 56.93 56.82 3dby s PHE 96 Cb 0.43 -1.62 -0.00 0.00 0.00 0.00 0.00 43.02 41.83 3dby s PHE 96 CO 0.09 -0.09 1.05 0.95 -0.00 0.00 0.00 175.22 177.22 3dby s THR 97 N -0.32 4.16 0.30 0.64 -4.23 -1.26 -4.91 115.64 110.02 3dby s THR 97 Ca 0.02 0.71 0.03 0.00 -1.18 0.00 0.00 61.69 61.27 3dby s THR 97 Cb -0.13 -3.50 0.29 0.00 1.34 0.00 0.00 72.50 70.51 3dby s THR 97 CO 0.02 -0.91 1.84 -0.65 -0.54 0.00 0.00 174.62 174.38 3dby h PRO 98 N -0.61 0.89 -0.39 3.99 0.11 -1.98 -2.28 132.00 131.73 3dby h PRO 98 Ca -0.44 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3dby h PRO 98 Cb 1.21 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3dby h PRO 98 CO 0.58 0.59 -0.23 1.15 -0.21 0.00 0.00 178.00 179.88 3dby h THR 99 N 0.92 1.27 -0.47 -1.15 2.02 -1.98 0.22 112.91 113.75 3dby h THR 99 Ca 0.49 -1.34 0.04 0.00 0.77 0.00 0.00 66.41 66.37 3dby h THR 99 Cb 0.55 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3dby h THR 99 CO -0.25 0.45 0.22 0.15 0.37 0.00 0.00 175.52 176.45 3dby h PHE 100 N 0.68 0.40 -0.12 3.16 3.57 -1.79 0.48 116.94 123.31 3dby h PHE 100 Ca 0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 3dby h PHE 100 Cb 0.74 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3dby h PHE 100 CO 0.04 0.19 -0.51 0.82 -2.23 0.00 0.00 178.31 176.61 3dby h ILE 101 N 0.44 1.34 -0.57 1.41 2.04 -1.38 -2.10 117.51 118.68 3dby h ILE 101 Ca 0.21 -1.76 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 3dby h ILE 101 Cb 0.14 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3dby h ILE 101 CO -0.16 0.53 0.28 -1.13 0.00 0.00 0.00 178.15 177.67 3dby h ASN 102 N 0.26 0.71 -0.45 1.72 -1.24 -0.05 -0.10 115.58 116.44 3dby h ASN 102 Ca 0.01 -0.06 -0.09 0.00 0.71 0.00 0.00 56.30 56.86 3dby h ASN 102 Cb 0.99 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 3dby h ASN 102 CO 0.08 0.60 -0.08 0.45 -1.29 0.00 0.00 177.43 177.20 3dby h HIS 103 N 0.80 0.95 -0.79 0.67 3.86 -0.59 -0.64 115.15 119.40 3dby h HIS 103 Ca 0.20 -0.19 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 3dby h HIS 103 Cb 0.07 -0.24 -0.08 0.00 1.06 0.00 0.00 27.41 28.23 3dby h HIS 103 CO 0.01 0.94 0.42 0.52 0.86 0.00 0.00 177.93 180.68 3dby h MET 104 N 0.69 0.68 -0.65 2.45 2.86 -0.68 -0.28 114.93 120.00 3dby h MET 104 Ca 0.12 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3dby h MET 104 Cb 0.61 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 3dby h MET 104 CO 0.04 0.45 0.43 0.28 1.06 0.00 0.00 176.91 179.16 3dby h VAL 105 N 0.70 1.17 -0.58 -2.22 2.07 -0.71 -1.36 116.25 115.31 3dby h VAL 105 Ca 0.39 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3dby h VAL 105 Cb 0.41 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3dby h VAL 105 CO -0.27 0.16 0.28 0.78 0.02 0.00 0.00 177.57 178.54 3dby h ASN 106 N 0.88 0.73 0.11 0.57 2.35 -0.25 -1.72 115.58 118.25 3dby h ASN 106 Ca 0.24 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3dby h ASN 106 Cb -0.10 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.09 3dby h ASN 106 CO -0.05 0.62 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.96 3dby h GLU 107 N 0.81 -0.14 0.00 0.81 5.08 -0.66 -2.90 114.58 117.58 3dby h GLU 107 Ca 0.20 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3dby h GLU 107 Cb 0.08 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3dby h GLU 107 CO -0.03 0.05 -0.18 -0.24 -1.00 0.00 0.00 179.01 177.61 3dby h VAL 108 N -0.32 0.71 0.00 3.13 3.04 -1.11 -1.20 116.25 120.50 3dby h VAL 108 Ca -0.02 -0.76 -0.03 0.00 -1.01 0.00 0.00 66.70 64.89 3dby h VAL 108 Cb 0.26 1.47 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3dby h VAL 108 CO 0.03 0.18 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.28 3dby h GLU 109 N 0.00 0.00 0.16 4.17 5.08 -1.19 -1.32 114.58 121.48 3dby h GLU 109 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3dby h GLU 109 Cb 0.45 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.73 3dby h GLU 109 CO 0.02 0.15 -1.04 1.49 -1.00 0.00 0.00 179.01 178.63 3dby h GLU 110 N 0.00 0.33 -0.19 2.33 4.57 -1.03 -0.61 114.58 119.97 3dby h GLU 110 Ca -0.00 -0.57 0.05 0.00 -1.18 0.00 0.00 59.36 57.66 3dby h GLU 110 Cb 0.52 0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.27 3dby h GLU 110 CO 0.02 1.27 -0.12 -0.92 -1.18 0.00 0.00 179.01 178.09 3dby h TYR 111 N -0.27 -0.28 -0.63 0.92 3.20 -1.30 -2.25 116.97 116.36 3dby h TYR 111 Ca -0.19 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.78 3dby h TYR 111 Cb 1.76 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 40.12 3dby h TYR 111 CO 0.17 -0.18 0.31 0.82 -1.64 0.00 0.00 178.16 177.64 3dby h ILE 112 N -0.11 0.87 -0.92 1.81 2.04 -1.20 0.13 117.51 120.14 3dby h ILE 112 Ca 0.11 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.83 3dby h ILE 112 Cb 0.27 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 3dby h ILE 112 CO -0.26 0.10 0.59 0.00 0.00 0.00 0.00 178.15 178.58 3dby h ALA 113 N 1.38 1.24 -0.20 1.87 0.00 -0.98 -2.59 119.26 119.98 3dby h ALA 113 Ca 0.30 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3dby h ALA 113 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dby h ALA 113 CO -0.24 0.40 -0.43 -0.39 0.00 0.00 0.00 179.25 178.60 3dby h VAL 114 N 1.10 1.31 -0.00 0.00 -1.51 -0.65 -2.79 116.25 113.71 3dby h VAL 114 Ca 0.38 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3dby h VAL 114 Cb 0.08 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3dby h VAL 114 CO -0.15 0.50 0.02 -0.07 -1.23 0.00 0.00 177.57 176.64 3dby h LEU 115 N 0.40 0.00 0.00 4.19 3.38 -0.42 -0.92 115.31 121.94 3dby h LEU 115 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dby h LEU 115 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3dby h LEU 115 CO 0.08 0.00 -0.00 -0.08 0.09 0.00 0.00 178.44 178.53 3dby h GLU 116 N 0.00 -0.00 -0.15 1.13 4.81 -1.18 -2.02 114.58 117.16 3dby h GLU 116 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3dby h GLU 116 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3dby h GLU 116 CO -0.00 0.09 -0.15 0.74 -0.73 0.00 0.00 179.01 178.96 3dby h PHE 117 N -0.09 0.44 -0.78 0.92 0.04 -1.54 -3.29 116.94 112.63 3dby h PHE 117 Ca -0.00 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.65 3dby h PHE 117 Cb 0.09 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3dby h PHE 117 CO -0.05 0.75 0.52 -0.07 -0.60 0.00 0.00 178.31 178.86 3dby h LEU 118 N 0.01 0.89 -0.01 1.54 3.38 -1.11 -0.67 115.31 119.34 3dby h LEU 118 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dby h LEU 118 Cb 0.68 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dby h LEU 118 CO 0.04 0.64 -0.00 2.29 0.09 0.00 0.00 178.44 181.49 3dby n LYS 119 N -4.42 0.39 0.00 1.13 2.85 -0.77 -2.49 118.16 114.86 3dby n LYS 119 Ca 0.09 -0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.47 3dby n LYS 119 Cb 0.04 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.15 3dby n LYS 119 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dby n LYS 120 N -1.30 1.79 -0.56 -1.58 5.02 -0.42 -4.92 118.16 116.20 3dby n LYS 120 Ca 0.14 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.07 3dby n LYS 120 Cb 0.25 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3dby n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dby n GLY 121 N 1.31 0.95 3.86 0.72 0.00 -1.04 -5.05 105.19 105.94 3dby n GLY 121 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.37 3.91 0.02 1.61 2.02 -0.39 -4.90 118.70 120.60 3dby s GLU 122 Ca 0.00 0.40 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 3dby s GLU 122 Cb 0.00 -2.85 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 3dby s GLU 122 CO 0.00 0.43 1.46 0.08 0.02 0.00 0.00 175.26 177.26 3dby s VAL 123 N -1.57 3.53 0.59 2.63 1.01 -1.26 -3.65 120.40 121.68 3dby s VAL 123 Ca 0.40 0.94 -0.20 0.00 0.00 0.00 0.00 61.98 63.12 3dby s VAL 123 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3dby s VAL 123 CO 0.20 -0.00 1.30 -2.84 0.00 0.00 0.00 175.10 173.75 3dby s PRO 124 N 2.42 2.92 0.74 2.72 0.02 -1.26 -4.96 135.00 137.60 3dby s PRO 124 Ca 0.66 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 3dby s PRO 124 Cb -0.34 -2.05 0.03 0.00 0.02 0.00 0.00 34.50 32.17 3dby s PRO 124 CO 0.28 -1.31 1.07 -1.25 -0.33 0.00 0.00 177.00 175.46 3dby s PRO 125 N -3.15 2.56 -0.46 5.54 0.04 -1.26 -4.98 135.00 133.29 3dby s PRO 125 Ca 0.76 0.89 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 3dby s PRO 125 Cb -0.37 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.25 3dby s PRO 125 CO 0.41 -1.35 0.98 0.08 0.04 0.00 0.00 177.00 177.16 3dby s VAL 126 N -3.06 4.41 0.88 -0.36 1.01 -1.26 -5.04 120.40 116.99 3dby s VAL 126 Ca 0.59 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 3dby s VAL 126 Cb -0.15 -4.47 0.12 0.00 0.00 0.00 0.00 36.38 31.88 3dby s VAL 126 CO 0.55 -0.87 1.09 -0.36 0.00 0.00 0.00 175.10 175.51 3dby s PHE 127 N 3.92 2.26 0.38 5.22 0.08 -1.26 -4.97 117.98 123.61 3dby s PHE 127 Ca 0.40 1.38 -0.28 0.00 0.12 0.00 0.00 56.93 58.56 3dby s PHE 127 Cb -0.09 -3.14 -0.11 0.00 -0.57 0.00 0.00 43.02 39.10 3dby s PHE 127 CO 0.27 -2.36 1.42 1.58 -0.10 0.00 0.00 175.22 176.04 3dby n HIS 128 N -3.88 2.73 -0.30 0.36 -0.00 -1.26 -4.69 115.22 108.18 3dby n HIS 128 Ca 0.08 0.48 0.07 0.00 0.46 0.00 0.00 57.72 58.81 3dby n HIS 128 Cb 0.54 -2.49 0.23 0.00 -0.12 0.00 0.00 29.99 28.15 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3dby h GLU 129 N 2.72 0.62 -0.59 1.57 4.11 -1.92 -0.09 114.58 121.01 3dby h GLU 129 Ca -0.49 -0.04 0.17 0.00 0.07 0.00 0.00 59.36 59.07 3dby h GLU 129 Cb 1.26 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3dby h GLU 129 CO 0.63 0.41 0.46 -0.07 0.07 0.00 0.00 179.01 180.51 3dby h LEU 130 N 0.64 0.00 -0.56 3.06 3.38 -1.98 -0.17 115.31 119.68 3dby h LEU 130 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3dby h LEU 130 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3dby h LEU 130 CO -0.36 0.00 0.36 -0.74 0.09 0.00 0.00 178.44 177.79 3dby h HIS 131 N 0.00 0.71 -0.25 1.13 2.76 -1.35 -1.90 115.15 116.24 3dby h HIS 131 Ca 0.28 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.28 3dby h HIS 131 Cb 1.20 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.93 3dby h HIS 131 CO 0.00 0.46 -0.54 1.88 -1.30 0.00 0.00 177.93 178.43 3dby h TYR 132 N 0.75 1.03 -0.59 5.26 0.05 -1.14 -2.76 116.97 119.57 3dby h TYR 132 Ca 0.20 -0.38 0.02 0.00 0.05 0.00 0.00 58.73 58.62 3dby h TYR 132 Cb -0.06 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 3dby h TYR 132 CO -0.03 1.20 0.38 0.45 -1.05 0.00 0.00 178.16 179.10 3dby h HIS 133 N 0.57 0.71 0.00 4.88 3.86 -1.22 -0.45 115.15 123.49 3dby h HIS 133 Ca 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3dby h HIS 133 Cb 1.16 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 3dby h HIS 133 CO 0.08 0.42 -0.03 -0.07 0.86 0.00 0.00 177.93 179.19 3dby h LEU 134 N 0.75 0.00 0.10 2.43 3.38 -1.22 -1.44 115.31 119.32 3dby h LEU 134 Ca 0.23 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.86 3dby h LEU 134 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3dby h LEU 134 CO -0.08 0.03 -1.87 0.52 0.09 0.00 0.00 178.44 177.13 3dby n VAL 135 N -3.16 1.74 0.74 1.22 0.31 -1.05 -4.66 118.33 113.47 3dby n VAL 135 Ca -0.00 -0.55 0.10 0.00 -0.01 0.00 0.00 64.34 63.88 3dby n VAL 135 Cb 0.26 -1.79 -0.13 0.00 -0.91 0.00 0.00 33.84 31.27 3dby n VAL 135 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3dby n TRP 136 N -3.65 0.00 -0.02 3.52 7.02 -0.20 -3.60 117.44 120.51 3dby n TRP 136 Ca -0.32 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.00 3dby n TRP 136 Cb 0.98 -0.14 -0.10 0.00 -2.42 0.00 0.00 31.31 29.64 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 0.52 -0.74 -0.99 3.38 -1.46 -0.63 115.31 115.40 3dby h LEU 137 Ca 0.00 -0.68 -0.08 0.00 0.09 0.00 0.00 57.88 57.21 3dby h LEU 137 Cb 0.63 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3dby h LEU 137 CO 0.00 1.12 0.11 0.71 0.09 0.00 0.00 178.44 180.48 3dby h THR 138 N -0.04 1.26 -0.47 0.22 1.35 -1.79 -1.15 112.91 112.28 3dby h THR 138 Ca -0.04 -1.01 0.09 0.00 -0.55 0.00 0.00 66.41 64.89 3dby h THR 138 Cb 1.14 0.63 -0.08 0.00 -1.73 0.00 0.00 68.15 68.12 3dby h THR 138 CO 0.10 0.38 0.02 -0.78 -0.25 0.00 0.00 175.52 174.99 3dby h ASP 139 N 1.01 -0.16 -0.37 5.36 1.82 -1.60 0.47 116.42 122.95 3dby h ASP 139 Ca 0.20 0.11 -0.12 0.00 -0.39 0.00 0.00 57.03 56.83 3dby h ASP 139 Cb 0.42 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 3dby h ASP 139 CO 0.01 -0.05 -0.20 0.00 -1.61 0.00 0.00 179.24 177.40 3dby h ALA 140 N 1.41 0.84 -0.46 -0.78 0.00 -0.81 0.11 119.26 119.57 3dby h ALA 140 Ca 0.24 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3dby h ALA 140 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dby h ALA 140 CO -0.38 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.53 3dby h ALA 141 N 1.03 1.15 -0.08 0.00 0.00 -0.72 -1.70 119.26 118.93 3dby h ALA 141 Ca 0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3dby h ALA 141 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3dby h ALA 141 CO 0.06 0.55 -0.36 0.78 0.00 0.00 0.00 179.25 180.28 3dby h GLY 142 N 0.96 0.16 0.75 0.00 0.00 -0.49 0.26 103.07 104.71 3dby h GLY 142 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3dby h GLY 142 CO 0.02 0.13 -0.20 0.45 0.00 0.00 0.00 176.54 176.93 3dby h HIS 143 N 0.13 -0.53 -0.73 5.60 3.86 -0.46 0.32 115.15 123.34 3dby h HIS 143 Ca 0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dby h HIS 143 Cb 0.69 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 3dby h HIS 143 CO 0.01 -0.22 0.45 0.00 0.86 0.00 0.00 177.93 179.03 3dby h ALA 144 N -0.40 0.93 -0.51 2.45 0.00 -1.20 -1.80 119.26 118.73 3dby h ALA 144 Ca -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3dby h ALA 144 Cb 0.55 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3dby h ALA 144 CO 0.10 0.39 0.23 0.78 0.00 0.00 0.00 179.25 180.75 3dby h GLY 145 N 0.99 0.76 1.83 0.00 0.00 -0.46 -2.03 103.07 104.17 3dby h GLY 145 Ca 0.26 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3dby h GLY 145 CO -0.05 0.34 -0.61 1.48 0.00 0.00 0.00 176.54 177.70 3dby h SER 146 N 0.71 0.19 0.37 0.19 4.64 -0.33 -1.92 113.55 117.41 3dby h SER 146 Ca 0.18 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3dby h SER 146 Cb 0.10 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3dby h SER 146 CO -0.02 0.76 -0.21 0.40 -0.87 0.00 0.00 176.83 176.89 3dby h ILE 147 N 0.13 0.57 -0.50 0.95 2.04 -0.91 -1.23 117.51 118.56 3dby h ILE 147 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3dby h ILE 147 Cb 1.11 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 37.66 3dby h ILE 147 CO 0.09 0.00 -0.18 0.28 0.00 0.00 0.00 178.15 178.34 3dby h SER 148 N -0.54 -0.62 0.24 1.72 0.02 -1.28 -1.86 113.55 111.23 3dby h SER 148 Ca -0.04 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3dby h SER 148 Cb 0.43 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3dby h SER 148 CO 0.06 -0.21 -0.21 1.23 -1.14 0.00 0.00 176.83 176.56 3dby h GLY 149 N -0.06 0.00 0.79 -3.77 0.00 -1.30 -3.10 103.07 95.63 3dby h GLY 149 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3dby h GLY 149 CO -0.54 0.00 -0.67 0.61 0.00 0.00 0.00 176.54 175.94 3dby n GLY 150 N -0.87 -1.21 3.78 4.60 0.00 -0.47 -4.92 105.19 106.10 3dby n GLY 150 Ca -0.02 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.21 4.14 0.69 0.99 1.43 -0.76 -0.75 118.68 121.21 3dby s LEU 151 Ca 0.09 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 55.01 3dby s LEU 151 Cb 0.17 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 3dby s LEU 151 CO 0.74 -0.44 1.00 -0.67 0.23 0.00 0.00 176.35 177.21 3dby n ASP 152 N -0.06 0.68 -0.34 2.29 2.03 0.30 -4.87 116.55 116.58 3dby n ASP 152 Ca 0.05 0.71 0.25 0.00 0.52 0.00 0.00 54.79 56.32 3dby n ASP 152 Cb 0.50 -1.42 0.50 0.00 -0.72 0.00 0.00 41.12 39.98 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 -0.02 0.48 -0.07 -2.67 5.85 -1.95 -1.96 115.31 114.97 3dby h LEU 153 Ca -0.48 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3dby h LEU 153 Cb 1.34 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.50 3dby h LEU 153 CO 0.48 -0.14 -0.13 1.33 -0.34 0.00 0.00 178.44 179.65 3dby n VAL 154 N -5.00 0.00 -1.31 1.05 0.24 -1.26 -4.24 118.33 107.81 3dby n VAL 154 Ca 0.32 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.34 62.28 3dby n VAL 154 Cb 1.03 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.11 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 -1.29 3.33 -0.26 7.34 -0.58 -0.74 -4.66 120.64 123.78 3dby n GLU 155 Ca 0.10 -2.04 -0.07 0.00 -0.42 0.00 0.00 57.16 54.73 3dby n GLU 155 Cb 0.30 -2.56 0.05 0.00 -0.57 0.00 0.00 31.44 28.66 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 4.40 1.14 -0.47 3.49 1.79 -1.82 -1.88 116.57 123.22 3dby h LYS 156 Ca 0.68 -0.27 -0.10 0.00 -2.18 0.00 0.00 60.65 58.78 3dby h LYS 156 Cb 0.60 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 3dby h LYS 156 CO 1.34 0.99 -0.10 0.00 -1.08 0.00 0.00 179.45 180.60 3dby h ARG 157 N 1.08 0.89 -0.24 3.15 2.47 -1.97 -0.70 114.38 119.06 3dby h ARG 157 Ca 0.23 -0.34 -0.13 0.00 -1.26 0.00 0.00 59.98 58.47 3dby h ARG 157 Cb 0.36 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 3dby h ARG 157 CO 0.00 0.99 -0.41 -0.07 0.56 0.00 0.00 179.97 181.04 3dby h LEU 158 N 0.74 0.61 -0.53 3.04 3.38 -1.92 -2.68 115.31 117.95 3dby h LEU 158 Ca 0.12 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3dby h LEU 158 Cb 0.65 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3dby h LEU 158 CO 0.04 0.95 0.01 0.50 0.09 0.00 0.00 178.44 180.04 3dby h LYS 159 N 0.47 0.92 -0.64 1.13 3.64 -1.22 -0.72 116.57 120.16 3dby h LYS 159 Ca 0.04 -0.29 0.10 0.00 -1.27 0.00 0.00 60.65 59.23 3dby h LYS 159 Cb 0.91 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 3dby h LYS 159 CO 0.08 0.93 0.24 1.49 -2.27 0.00 0.00 179.45 179.93 3dby h GLU 160 N 0.79 0.41 -0.18 1.90 4.81 -1.03 -0.64 114.58 120.64 3dby h GLU 160 Ca 0.15 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3dby h GLU 160 Cb 0.51 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3dby h GLU 160 CO 0.02 0.27 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.27 3dby h LYS 161 N 0.42 0.38 -0.39 1.92 1.63 -1.19 -2.43 116.57 116.90 3dby h LYS 161 Ca 0.33 -0.17 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 3dby h LYS 161 Cb 0.42 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 3dby h LYS 161 CO -0.32 0.68 0.01 0.66 -3.45 0.00 0.00 179.45 177.03 3dby h SER 162 N 0.06 0.59 -0.43 4.20 4.64 -0.85 -2.44 113.55 119.31 3dby h SER 162 Ca 0.04 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3dby h SER 162 Cb 0.57 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3dby h SER 162 CO 0.03 0.66 0.25 -0.33 -0.87 0.00 0.00 176.83 176.56 3dby h GLU 163 N 0.59 0.62 -0.41 4.77 5.08 -1.09 -0.17 114.58 123.98 3dby h GLU 163 Ca 0.12 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3dby h GLU 163 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3dby h GLU 163 CO 0.01 0.46 -0.06 1.49 -1.00 0.00 0.00 179.01 179.91 3dby h GLU 164 N 0.63 0.77 -0.34 2.33 4.81 -0.98 -1.06 114.58 120.75 3dby h GLU 164 Ca 0.16 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3dby h GLU 164 Cb 0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3dby h GLU 164 CO -0.03 0.88 0.15 0.74 -0.73 0.00 0.00 179.01 180.03 3dby h PHE 165 N 0.60 0.28 -0.36 0.92 0.04 -1.05 -1.23 116.94 116.13 3dby h PHE 165 Ca 0.11 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.94 3dby h PHE 165 Cb 0.58 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 3dby h PHE 165 CO 0.05 0.14 0.10 1.15 -0.60 0.00 0.00 178.31 179.15 3dby h THR 166 N 0.32 0.86 -0.18 -1.55 2.02 -0.89 -0.68 112.91 112.81 3dby h THR 166 Ca 0.14 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3dby h THR 166 Cb 0.08 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3dby h THR 166 CO -0.12 0.04 -0.05 0.50 0.37 0.00 0.00 175.52 176.26 3dby h LYS 167 N 0.24 -0.02 -0.68 6.66 3.64 -1.10 -1.22 116.57 124.10 3dby h LYS 167 Ca 0.17 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3dby h LYS 167 Cb 0.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3dby h LYS 167 CO -0.20 -0.01 0.37 0.45 -2.27 0.00 0.00 179.45 177.79 3dby h HIS 168 N -0.02 0.93 -0.45 1.91 3.86 -0.61 -0.81 115.15 119.97 3dby h HIS 168 Ca 0.09 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 3dby h HIS 168 Cb 0.15 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3dby h HIS 168 CO -0.21 0.66 -0.20 0.74 0.86 0.00 0.00 177.93 179.78 3dby h PHE 169 N 0.93 1.01 -0.59 2.45 0.04 -0.98 -0.16 116.94 119.64 3dby h PHE 169 Ca 0.24 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3dby h PHE 169 Cb 0.04 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 3dby h PHE 169 CO -0.01 1.01 0.36 0.93 -0.60 0.00 0.00 178.31 180.00 3dby h GLU 170 N 0.78 0.80 -0.40 1.51 5.08 -0.93 0.23 114.58 121.64 3dby h GLU 170 Ca 0.11 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3dby h GLU 170 Cb 0.75 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3dby h GLU 170 CO 0.06 0.58 -0.34 1.96 -1.00 0.00 0.00 179.01 180.26 3dby h GLN 171 N 0.80 0.94 -0.82 2.33 4.20 -1.00 -1.02 115.11 120.54 3dby h GLN 171 Ca 0.21 -0.47 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3dby h GLN 171 Cb -0.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3dby h GLN 171 CO -0.04 1.13 0.54 0.74 -0.67 0.00 0.00 178.83 180.53 3dby h PHE 172 N 0.78 1.03 -0.42 2.96 0.04 -0.77 -2.42 116.94 118.13 3dby h PHE 172 Ca 0.07 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 3dby h PHE 172 Cb 0.93 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 3dby h PHE 172 CO 0.06 0.64 0.25 -0.92 -0.60 0.00 0.00 178.31 177.74 3dby h TYR 173 N 1.10 0.56 -0.96 -0.55 3.20 -0.04 -0.08 116.97 120.19 3dby h TYR 173 Ca 0.31 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.29 3dby h TYR 173 Cb -0.10 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 37.91 3dby h TYR 173 CO -0.02 0.39 0.61 -0.07 -1.64 0.00 0.00 178.16 177.44 3dby h LEU 174 N 0.56 0.86 -0.45 2.82 3.38 -0.97 0.36 115.31 121.87 3dby h LEU 174 Ca 0.15 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3dby h LEU 174 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dby h LEU 174 CO -0.03 0.47 -0.27 0.50 0.09 0.00 0.00 178.44 179.20 3dby h LYS 175 N 0.93 0.98 -0.70 1.13 3.64 -0.90 -2.70 116.57 118.96 3dby h LYS 175 Ca 0.47 -0.45 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3dby h LYS 175 Cb 0.50 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3dby h LYS 175 CO -0.23 1.12 0.44 0.00 -2.27 0.00 0.00 179.45 178.50 3dby h ALA 176 N 0.83 0.91 -0.10 5.00 0.00 -0.08 -1.23 119.26 124.59 3dby h ALA 176 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dby h ALA 176 Cb 0.86 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3dby h ALA 176 CO 0.08 0.21 -0.10 0.28 0.00 0.00 0.00 179.25 179.71 3dby h VAL 177 N 0.85 0.71 -0.49 0.00 2.07 -0.84 -0.54 116.25 118.01 3dby h VAL 177 Ca 0.28 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 3dby h VAL 177 Cb 0.02 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3dby h VAL 177 CO -0.11 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 177.40 3dby h GLU 178 N -0.13 0.70 -0.44 1.57 4.39 -1.22 -2.86 114.58 116.60 3dby h GLU 178 Ca 0.07 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3dby h GLU 178 Cb 0.23 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3dby h GLU 178 CO -0.18 0.58 0.11 0.52 -1.16 0.00 0.00 179.01 178.89 3dby h MET 179 N 0.65 0.64 -0.99 2.33 2.86 -1.10 -0.30 114.93 119.02 3dby h MET 179 Ca 0.17 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3dby h MET 179 Cb 0.10 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 3dby h MET 179 CO -0.02 0.58 0.64 1.15 1.06 0.00 0.00 176.91 180.32 3dby h THR 180 N 0.63 1.15 -0.28 2.22 2.02 -1.01 -1.53 112.91 116.11 3dby h THR 180 Ca 0.15 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3dby h THR 180 Cb 0.23 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3dby h THR 180 CO -0.00 0.22 -0.08 1.23 0.37 0.00 0.00 175.52 177.26 3dby h GLY 181 N 1.22 0.49 1.16 2.16 0.00 -0.88 -2.81 103.07 104.40 3dby h GLY 181 Ca 0.40 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.50 3dby h GLY 181 CO -0.14 0.29 0.37 -0.97 0.00 0.00 0.00 176.54 176.09 3dby h TYR 182 N 0.43 0.43 0.00 5.60 0.05 -0.14 -2.21 116.97 121.12 3dby h TYR 182 Ca 0.09 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3dby h TYR 182 Cb 0.41 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3dby h TYR 182 CO 0.01 0.22 0.11 -0.07 -1.05 0.00 0.00 178.16 177.38 3dby h LEU 183 N 0.42 0.00 -1.68 3.88 3.38 -1.26 -0.83 115.31 119.21 3dby h LEU 183 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3dby h LEU 183 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3dby h LEU 183 CO -0.07 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.49 3dby h ARG 184 N 0.00 0.00 0.00 1.13 3.08 -1.56 0.40 114.38 117.43 3dby h ARG 184 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dby h ARG 184 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3dby h ARG 184 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 3dby n THR 185 N -2.62 0.61 -0.71 2.04 -2.24 -0.32 -4.86 114.28 106.18 3dby n THR 185 Ca -0.01 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3dby n THR 185 Cb 0.14 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 -1.40 0.00 -2.88 -0.78 1.02 0.13 -4.97 120.64 111.76 3dby n GLU 186 Ca 0.06 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 3dby n GLU 186 Cb 0.18 -3.37 -0.04 0.00 -0.02 0.00 0.00 31.44 28.19 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 4.08 -0.00 -4.62 2.96 -1.26 -4.93 118.68 114.91 3dby s LEU 187 Ca 0.00 0.23 0.21 0.00 -0.22 0.00 0.00 54.13 54.35 3dby s LEU 187 Cb 0.00 -3.13 -0.19 0.00 0.50 0.00 0.00 46.19 43.38 3dby s LEU 187 CO 0.00 -0.91 0.91 1.41 -1.32 0.00 0.00 176.35 176.44 3dby n HIS 188 N 6.83 0.00 -3.75 5.38 8.25 -1.26 -4.45 115.22 126.22 3dby n HIS 188 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3dby n HIS 188 Cb 0.48 -0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.42 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 -3.02 -0.29 0.17 4.41 3.76 -1.26 -5.05 115.29 114.00 3dby s HIS 189 Ca 0.07 0.71 -0.23 0.00 -0.15 0.00 0.00 55.06 55.46 3dby s HIS 189 Cb 0.16 0.04 0.06 0.00 1.11 0.00 0.00 32.58 33.95 3dby s HIS 189 CO 0.86 -0.20 0.72 -0.59 -0.85 0.00 0.00 174.74 174.68 3dby s PHE 190 N 0.98 -0.36 0.28 1.40 -0.12 -1.26 -5.07 117.98 113.83 3dby s PHE 190 Ca -0.07 0.07 0.04 0.00 -0.05 0.00 0.00 56.93 56.92 3dby s PHE 190 Cb -0.08 0.61 0.40 0.00 -0.63 0.00 0.00 43.02 43.32 3dby s PHE 190 CO -0.06 -0.92 1.68 -1.35 -0.05 0.00 0.00 175.22 174.51 3dby h PRO 191 N 2.00 0.34 -0.61 1.99 0.11 -2.01 -2.22 132.00 131.60 3dby h PRO 191 Ca -0.26 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3dby h PRO 191 Cb 1.27 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3dby h PRO 191 CO 0.31 0.68 0.29 0.00 -0.21 0.00 0.00 178.00 179.07 3dby h ALA 192 N 1.31 1.37 -0.16 -0.75 0.00 -1.99 -0.80 119.26 118.24 3dby h ALA 192 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3dby h ALA 192 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3dby h ALA 192 CO 0.06 0.50 0.02 1.25 0.00 0.00 0.00 179.25 181.08 3dby h LEU 193 N 0.86 0.26 -0.55 0.00 5.85 -1.84 -0.86 115.31 119.02 3dby h LEU 193 Ca 0.21 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3dby h LEU 193 Cb 0.09 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3dby h LEU 193 CO -0.03 0.47 0.33 0.11 -0.34 0.00 0.00 178.44 178.98 3dby h LYS 194 N 0.04 0.63 -0.56 1.25 6.56 -1.09 -0.42 116.57 122.98 3dby h LYS 194 Ca 0.05 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 3dby h LYS 194 Cb 0.33 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 31.82 3dby h LYS 194 CO 0.00 0.42 0.28 -0.22 -2.06 0.00 0.00 179.45 177.88 3dby h LYS 195 N 0.65 0.79 -0.33 3.15 1.63 -1.11 -1.62 116.57 119.74 3dby h LYS 195 Ca 0.23 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 3dby h LYS 195 Cb 0.04 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 3dby h LYS 195 CO -0.10 0.64 0.09 0.35 -3.45 0.00 0.00 179.45 176.98 3dby h PHE 196 N 0.75 0.17 -0.54 1.91 3.57 -0.66 -0.76 116.94 121.38 3dby h PHE 196 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3dby h PHE 196 Cb 0.09 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3dby h PHE 196 CO -0.01 0.06 0.07 1.15 -2.23 0.00 0.00 178.31 177.35 3dby h THR 197 N 0.22 1.24 -0.49 4.41 2.02 -0.75 -0.49 112.91 119.07 3dby h THR 197 Ca 0.15 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3dby h THR 197 Cb 0.14 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3dby h THR 197 CO -0.17 0.34 0.32 0.11 0.37 0.00 0.00 175.52 176.49 3dby h LYS 198 N 0.81 0.65 -0.34 6.66 1.57 -0.93 -1.64 116.57 123.36 3dby h LYS 198 Ca 0.17 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3dby h LYS 198 Cb 0.39 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3dby h LYS 198 CO 0.01 0.43 0.09 -0.44 -0.57 0.00 0.00 179.45 178.97 3dby h ASP 199 N 0.67 0.51 -0.43 0.86 3.32 -0.56 -1.41 116.42 119.37 3dby h ASP 199 Ca 0.18 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3dby h ASP 199 Cb -0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3dby h ASP 199 CO -0.04 0.60 0.25 0.58 -1.72 0.00 0.00 179.24 178.91 3dby h VAL 200 N 0.39 1.14 -0.25 -1.35 2.07 -1.08 -2.02 116.25 115.16 3dby h VAL 200 Ca 0.11 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3dby h VAL 200 Cb 0.29 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3dby h VAL 200 CO 0.00 0.16 -0.08 0.28 0.02 0.00 0.00 177.57 177.95 3dby h SER 201 N 0.64 0.49 -0.48 0.57 0.02 -0.67 -0.50 113.55 113.63 3dby h SER 201 Ca 0.16 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 3dby h SER 201 Cb 0.02 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.35 3dby h SER 201 CO -0.03 0.76 0.04 -0.07 -1.14 0.00 0.00 176.83 176.39 3dby h LEU 202 N 0.22 -0.12 -0.20 5.07 4.07 -1.10 -1.22 115.31 122.03 3dby h LEU 202 Ca 0.06 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 3dby h LEU 202 Cb 0.55 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 3dby h LEU 202 CO 0.03 -0.03 0.11 -0.08 -1.08 0.00 0.00 178.44 177.38 3dby h GLU 203 N 0.16 0.28 -0.90 1.13 4.57 -1.17 -1.10 114.58 117.55 3dby h GLU 203 Ca 0.24 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.52 3dby h GLU 203 Cb 0.35 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 3dby h GLU 203 CO -0.37 0.28 0.58 -0.07 -1.18 0.00 0.00 179.01 178.25 3dby h LEU 204 N 0.21 0.68 -0.26 1.64 3.38 -0.93 0.10 115.31 120.14 3dby h LEU 204 Ca 0.07 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 204 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dby h LEU 204 CO -0.01 0.35 0.06 0.50 0.09 0.00 0.00 178.44 179.43 3dby h LYS 205 N 0.73 0.41 -0.82 1.13 1.63 -0.76 0.06 116.57 118.95 3dby h LYS 205 Ca 0.45 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 3dby h LYS 205 Cb 0.69 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 3dby h LYS 205 CO -0.21 0.51 0.46 -0.07 -3.45 0.00 0.00 179.45 176.69 3dby h LEU 206 N 0.24 1.02 -0.28 5.20 3.38 -0.31 -2.71 115.31 121.85 3dby h LEU 206 Ca 0.08 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 3dby h LEU 206 Cb 0.29 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dby h LEU 206 CO 0.00 0.82 -0.62 0.15 0.09 0.00 0.00 178.44 178.88 3dby h PHE 207 N 1.14 1.05 -0.94 1.13 3.57 -0.68 -2.24 116.94 119.97 3dby h PHE 207 Ca 0.29 -0.40 0.05 0.00 3.53 0.00 0.00 57.97 61.44 3dby h PHE 207 Cb 0.02 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 3dby h PHE 207 CO 0.00 1.23 0.62 0.77 -2.23 0.00 0.00 178.31 178.70 3dby h SER 208 N 0.61 1.00 -0.30 0.41 0.02 -0.93 0.17 113.55 114.53 3dby h SER 208 Ca -0.01 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3dby h SER 208 Cb 1.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3dby h SER 208 CO 0.13 0.66 0.12 0.45 -1.14 0.00 0.00 176.83 177.06 3dby h HIS 209 N 1.14 0.45 -0.61 3.45 3.86 -1.21 -1.51 115.15 120.72 3dby h HIS 209 Ca 0.39 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.59 3dby h HIS 209 Cb 0.09 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 3dby h HIS 209 CO -0.00 0.44 0.38 0.35 0.86 0.00 0.00 177.93 179.96 3dby h PHE 210 N 0.33 0.72 -0.78 2.45 3.57 -0.93 -0.99 116.94 121.30 3dby h PHE 210 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3dby h PHE 210 Cb 0.18 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3dby h PHE 210 CO -0.01 0.42 0.45 -0.07 -2.23 0.00 0.00 178.31 176.87 3dby h LEU 211 N 0.76 0.95 -0.56 0.59 3.38 -0.46 0.60 115.31 120.57 3dby h LEU 211 Ca 0.24 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3dby h LEU 211 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3dby h LEU 211 CO -0.09 0.74 -0.50 0.45 0.09 0.00 0.00 178.44 179.13 3dby h HIS 212 N 1.08 0.71 -0.79 1.13 3.86 -0.69 0.41 115.15 120.86 3dby h HIS 212 Ca 0.28 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3dby h HIS 212 Cb -0.01 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3dby h HIS 212 CO 0.01 0.96 0.30 1.49 0.86 0.00 0.00 177.93 181.54 3dby h GLU 213 N 0.46 1.19 -0.53 2.45 4.81 -0.65 -1.41 114.58 120.90 3dby h GLU 213 Ca 0.02 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 3dby h GLU 213 Cb 1.03 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3dby h GLU 213 CO 0.10 0.98 -0.12 0.28 -0.73 0.00 0.00 179.01 179.51 3dby h VAL 214 N 1.16 1.27 -0.60 0.32 2.07 -0.56 -0.71 116.25 119.19 3dby h VAL 214 Ca 0.26 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.53 3dby h VAL 214 Cb 0.24 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3dby h VAL 214 CO -0.02 0.45 0.39 -0.08 0.02 0.00 0.00 177.57 178.33 3dby h GLU 215 N 0.89 0.75 -0.23 1.57 4.81 -0.68 -0.32 114.58 121.38 3dby h GLU 215 Ca 0.14 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3dby h GLU 215 Cb 0.68 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3dby h GLU 215 CO 0.05 0.50 0.04 0.93 -0.73 0.00 0.00 179.01 179.79 3dby h GLU 216 N 0.77 0.38 -0.99 1.92 4.39 -0.99 0.51 114.58 120.57 3dby h GLU 216 Ca 0.23 -0.10 0.17 0.00 0.34 0.00 0.00 59.36 60.00 3dby h GLU 216 Cb -0.04 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.47 3dby h GLU 216 CO -0.07 0.52 0.60 -0.07 -1.16 0.00 0.00 179.01 178.83 3dby h LEU 217 N 0.18 0.80 -0.20 1.33 3.38 -0.90 -0.90 115.31 119.00 3dby h LEU 217 Ca 0.07 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3dby h LEU 217 Cb 0.33 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dby h LEU 217 CO 0.00 0.33 -0.34 -0.33 0.09 0.00 0.00 178.44 178.19 3dby h GLU 218 N 0.81 0.59 -0.51 1.13 4.39 -0.35 0.16 114.58 120.81 3dby h GLU 218 Ca 0.55 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3dby h GLU 218 Cb 0.77 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 3dby h GLU 218 CO -0.35 0.97 0.29 -0.07 -1.16 0.00 0.00 179.01 178.69 3dby h LEU 219 N 0.27 0.61 -0.54 1.33 3.38 -0.57 -2.31 115.31 117.49 3dby h LEU 219 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dby h LEU 219 Cb 0.93 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3dby h LEU 219 CO 0.08 0.49 -0.24 -1.54 0.09 0.00 0.00 178.44 177.32 3dby n SER 220 N -4.42 1.07 -1.41 -0.43 3.41 -0.37 -4.93 113.62 106.54 3dby n SER 220 Ca 0.04 -0.95 -0.13 0.00 -0.26 0.00 0.00 58.87 57.57 3dby n SER 220 Cb 0.09 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.57 -4.28 -0.21 4.04 3.02 -0.29 -4.91 115.26 112.05 3dby n ASN 221 Ca 0.13 0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.87 3dby n ASN 221 Cb 0.35 -3.34 0.23 0.00 -0.61 0.00 0.00 39.78 36.41 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 -2.37 0.63 -4.73 3.52 1.02 0.42 -4.83 120.64 114.31 3dby n GLU 222 Ca -0.15 -0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 56.25 3dby n GLU 222 Cb 0.58 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.66 3.02 -0.30 2.62 0.11 -1.22 -5.03 120.40 116.94 3dby s VAL 223 Ca 0.19 -0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 58.16 3dby s VAL 223 Cb 0.18 -2.24 -0.03 0.00 -1.53 0.00 0.00 36.38 32.76 3dby s VAL 223 CO 0.60 0.44 0.31 -0.76 -3.33 0.00 0.00 175.10 172.36 3dby s LEU 224 N -1.16 4.17 0.17 2.54 1.43 -1.26 -4.90 118.68 119.67 3dby s LEU 224 Ca 0.14 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 3dby s LEU 224 Cb -0.11 -2.29 0.07 0.00 0.03 0.00 0.00 46.19 43.90 3dby s LEU 224 CO 0.04 -0.19 1.01 -0.94 0.23 0.00 0.00 176.35 176.50 3dby s SER 225 N 1.71 -0.07 -0.23 2.29 1.04 -1.26 -0.54 113.70 116.64 3dby s SER 225 Ca 0.11 -0.56 0.13 0.00 0.48 0.00 0.00 55.95 56.11 3dby s SER 225 Cb -0.16 0.50 0.49 0.00 0.10 0.00 0.00 66.02 66.94 3dby s SER 225 CO 0.11 -0.95 1.40 1.33 0.98 0.00 0.00 173.24 176.11 3dby n VAL 226 N -0.59 2.37 -2.72 5.02 0.24 0.08 -4.91 118.33 117.81 3dby n VAL 226 Ca -0.05 -2.40 -0.15 0.00 -2.04 0.00 0.00 64.34 59.71 3dby n VAL 226 Cb 0.60 -0.29 0.07 0.00 -1.47 0.00 0.00 33.84 32.75 3dby n VAL 226 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3dby n LEU 227 N -0.94 0.00 -3.75 1.34 4.77 -1.26 -5.02 117.00 112.14 3dby n LEU 227 Ca 0.26 -1.56 -0.11 0.00 -0.03 0.00 0.00 56.01 54.58 3dby n LEU 227 Cb 0.93 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3dby n LEU 227 CO 0.15 -0.75 0.03 -0.94 -1.33 0.00 0.00 177.39 174.55 3dby s SER 228 N -3.64 -0.09 0.30 -1.43 1.04 -1.26 -5.02 113.70 103.60 3dby s SER 228 Ca 0.44 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 3dby s SER 228 Cb -0.03 0.38 0.44 0.00 0.10 0.00 0.00 66.02 66.92 3dby s SER 228 CO 0.28 -0.71 1.94 0.00 0.98 0.00 0.00 173.24 175.74 3dby h ALA 229 N 2.87 1.38 -0.48 5.32 0.00 -1.88 -2.25 119.26 124.22 3dby h ALA 229 Ca -0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3dby h ALA 229 Cb 1.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3dby h ALA 229 CO 0.49 0.54 0.08 -0.09 0.00 0.00 0.00 179.25 180.27 3dby h ARG 230 N 1.05 0.75 -0.27 0.00 2.43 -1.95 -0.43 114.38 115.96 3dby h ARG 230 Ca 0.28 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3dby h ARG 230 Cb -0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3dby h ARG 230 CO -0.05 0.71 0.01 1.98 -1.51 0.00 0.00 179.97 181.11 3dby h MET 231 N 0.72 0.47 -0.83 0.20 4.05 -1.82 0.30 114.93 118.01 3dby h MET 231 Ca 0.16 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3dby h MET 231 Cb 0.33 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.04 3dby h MET 231 CO 0.00 0.61 0.47 0.00 0.23 0.00 0.00 176.91 178.23 3dby h ALA 232 N 0.83 1.06 0.19 0.39 0.00 -1.15 -0.46 119.26 120.13 3dby h ALA 232 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dby h ALA 232 Cb 0.39 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dby h ALA 232 CO 0.01 0.56 -0.10 0.22 0.00 0.00 0.00 179.25 179.94 3dby h ASP 233 N 1.15 -0.26 -0.50 0.00 3.58 -0.95 -0.42 116.42 119.02 3dby h ASP 233 Ca 0.29 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.86 3dby h ASP 233 Cb 0.01 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.04 3dby h ASP 233 CO -0.05 -0.17 -0.08 -0.74 -2.88 0.00 0.00 179.24 175.32 3dby h HIS 234 N -0.28 -0.18 -0.56 0.28 2.76 -0.80 0.55 115.15 116.93 3dby h HIS 234 Ca -0.02 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3dby h HIS 234 Cb 0.22 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3dby h HIS 234 CO -0.08 -0.18 0.22 0.52 -1.30 0.00 0.00 177.93 177.11 3dby h MET 235 N 0.04 0.84 -0.37 5.26 2.86 -0.72 -2.00 114.93 120.83 3dby h MET 235 Ca 0.25 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 3dby h MET 235 Cb 0.38 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3dby h MET 235 CO -0.49 0.72 -0.04 0.00 1.06 0.00 0.00 176.91 178.16 3dby h ALA 236 N 1.07 1.24 -0.64 6.32 0.00 -0.57 -1.15 119.26 125.52 3dby h ALA 236 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3dby h ALA 236 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dby h ALA 236 CO -0.02 0.50 0.29 0.00 0.00 0.00 0.00 179.25 180.03 3dby h ARG 237 N 0.57 0.93 -0.38 0.00 3.08 -0.58 -1.45 114.38 116.55 3dby h ARG 237 Ca 0.11 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3dby h ARG 237 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3dby h ARG 237 CO 0.02 0.75 0.20 0.93 -1.07 0.00 0.00 179.97 180.80 3dby h GLU 238 N 0.88 0.54 -0.67 0.04 5.08 -1.02 -1.83 114.58 117.61 3dby h GLU 238 Ca 0.22 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3dby h GLU 238 Cb 0.14 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3dby h GLU 238 CO -0.03 0.46 0.44 0.93 -1.00 0.00 0.00 179.01 179.82 3dby h GLU 239 N 0.48 0.79 -0.28 2.33 4.39 -1.16 -1.55 114.58 119.59 3dby h GLU 239 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3dby h GLU 239 Cb 0.08 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3dby h GLU 239 CO -0.02 0.52 0.15 0.00 -1.16 0.00 0.00 179.01 178.50 3dby h TYR 241 N 0.34 0.96 -0.09 0.00 3.20 -0.95 0.14 116.97 120.57 3dby h TYR 241 Ca 0.10 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3dby h TYR 241 Cb 0.06 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 3dby h TYR 241 CO -0.03 0.69 -0.12 -0.92 -1.64 0.00 0.00 178.16 176.13 3dby h TYR 242 N 0.98 0.29 -0.31 -3.82 3.20 -1.18 -0.72 116.97 115.41 3dby h TYR 242 Ca 0.24 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.09 3dby h TYR 242 Cb 0.06 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 3dby h TYR 242 CO 0.01 0.70 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.03 3dby h LEU 243 N -0.21 -0.43 -0.51 2.82 3.38 -0.61 -0.39 115.31 119.37 3dby h LEU 243 Ca 0.01 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3dby h LEU 243 Cb 0.67 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 3dby h LEU 243 CO 0.03 -0.16 0.13 0.25 0.09 0.00 0.00 178.44 178.78 3dby h LEU 244 N -0.07 0.07 -1.08 1.67 5.85 -0.61 -0.06 115.31 121.09 3dby h LEU 244 Ca 0.16 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 3dby h LEU 244 Cb 0.31 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3dby h LEU 244 CO -0.36 0.07 -0.26 0.11 -0.34 0.00 0.00 178.44 177.66 3dby h LYS 245 N 0.28 0.34 -0.42 1.25 1.79 -0.78 -1.90 116.57 117.13 3dby h LYS 245 Ca 0.25 -0.12 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 3dby h LYS 245 Cb 0.32 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3dby h LYS 245 CO -0.30 0.58 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.44 3dby h LEU 246 N 0.30 0.86 -0.56 2.94 3.38 -0.54 -1.04 115.31 120.65 3dby h LEU 246 Ca 0.05 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3dby h LEU 246 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3dby h LEU 246 CO 0.04 1.04 0.24 0.00 0.09 0.00 0.00 178.44 179.85 3dby h ALA 247 N 0.84 0.72 0.45 1.53 0.00 -0.80 -0.16 119.26 121.85 3dby h ALA 247 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3dby h ALA 247 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dby h ALA 247 CO 0.05 0.32 -0.22 1.96 0.00 0.00 0.00 179.25 181.36 3dby h GLN 248 N 0.76 -0.59 -0.04 0.00 4.20 -1.32 0.09 115.11 118.21 3dby h GLN 248 Ca 0.19 0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 3dby h GLN 248 Cb 0.18 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3dby h GLN 248 CO -0.02 -0.31 -0.38 0.66 -0.67 0.00 0.00 178.83 178.11 3dby h SER 249 N -0.78 0.09 0.12 1.46 4.64 -1.14 -3.31 113.55 114.63 3dby h SER 249 Ca -0.06 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.02 3dby h SER 249 Cb 0.55 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 3dby h SER 249 CO 0.10 0.46 -2.09 -0.24 -0.87 0.00 0.00 176.83 174.19 3dby n SER 250 N -4.07 0.15 -0.23 4.97 2.88 -0.08 -4.63 113.62 112.61 3dby n SER 250 Ca -0.02 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3dby n SER 250 Cb 0.43 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 65.08 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 1.52 0.61 3.74 0.46 0.00 -0.10 -5.06 105.19 106.37 3dby n GLY 251 Ca -0.19 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.46 3.27 0.33 0.99 1.43 -0.52 -5.06 118.68 118.67 3dby s LEU 252 Ca 0.00 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 3dby s LEU 252 Cb 0.00 -1.75 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 3dby s LEU 252 CO 0.00 -0.32 1.34 -1.61 0.23 0.00 0.00 176.35 175.99 3dby s GLU 253 N -3.86 4.32 0.43 1.70 2.02 -1.26 -4.58 118.70 117.46 3dby s GLU 253 Ca 0.38 2.27 -0.26 0.00 0.02 0.00 0.00 54.97 57.38 3dby s GLU 253 Cb -0.02 -3.06 -0.09 0.00 0.10 0.00 0.00 34.13 31.06 3dby s GLU 253 CO 0.23 -0.25 1.45 -1.64 0.02 0.00 0.00 175.26 175.07 3dby s MET 254 N -1.75 3.80 0.58 1.61 -1.94 -1.26 -4.83 119.30 115.51 3dby s MET 254 Ca 0.50 2.48 -0.15 0.00 -1.71 0.00 0.00 55.69 56.81 3dby s MET 254 Cb -0.41 -2.74 -0.05 0.00 2.01 0.00 0.00 34.83 33.64 3dby s MET 254 CO 0.54 -0.75 1.03 -1.25 -0.01 0.00 0.00 175.02 174.58 3dby s PRO 255 N -2.36 3.54 -1.08 2.03 0.04 -1.26 -4.97 135.00 130.94 3dby s PRO 255 Ca 0.59 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 3dby s PRO 255 Cb -0.45 -2.07 0.27 0.00 0.04 0.00 0.00 34.50 32.29 3dby s PRO 255 CO 0.59 -0.62 1.07 -1.59 0.04 0.00 0.00 177.00 176.48 3dby s LYS 256 N -4.38 4.11 0.13 4.56 -2.85 -1.26 -4.94 119.74 115.11 3dby s LYS 256 Ca 0.60 -3.16 -0.12 0.00 -1.00 0.00 0.00 55.97 52.29 3dby s LYS 256 Cb -0.13 -4.52 0.01 0.00 -2.06 0.00 0.00 37.83 31.13 3dby s LYS 256 CO 0.40 -1.25 0.31 0.00 0.10 0.00 0.00 175.35 174.92 3dby s ASN 258 N -2.88 4.10 0.00 0.00 2.47 -1.26 -4.98 114.94 112.40 3dby s ASN 258 Ca 0.09 -1.13 0.25 0.00 0.42 0.00 0.00 52.86 52.49 3dby s ASN 258 Cb 0.03 -1.55 1.18 0.00 -1.45 0.00 0.00 41.25 39.46 3dby s ASN 258 CO -0.07 -0.14 1.84 -0.81 -3.72 0.00 0.00 177.10 174.20 3dby n PRO 259 N 4.52 0.18 -0.04 0.43 -0.04 -1.26 -3.87 135.00 134.92 3dby n PRO 259 Ca -0.16 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 3dby n PRO 259 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.39 0.85 0.00 1.53 4.77 -1.26 -4.78 117.00 116.72 3dby n LEU 260 Ca 0.09 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3dby n LEU 260 Cb 0.25 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3dby n LEU 260 CO 0.21 0.47 0.00 -1.84 -1.33 0.00 0.00 177.39 174.90