#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dby s GLU 3 N 0.00 4.61 0.04 3.23 2.12 -1.26 -5.01 118.70 122.43 3dby s GLU 3 Ca 0.00 1.32 -0.30 0.00 0.36 0.00 0.00 54.97 56.35 3dby s GLU 3 Cb 0.00 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3dby s GLU 3 CO 0.00 0.18 1.04 1.03 -0.54 0.00 0.00 175.26 176.97 3dby s ARG 4 N 0.18 4.55 0.33 4.30 0.52 -1.26 -5.05 118.95 122.51 3dby s ARG 4 Ca 0.45 1.52 0.10 0.00 -0.52 0.00 0.00 55.73 57.28 3dby s ARG 4 Cb -0.22 -3.41 -0.06 0.00 0.52 0.00 0.00 34.95 31.78 3dby s ARG 4 CO 0.27 -0.06 -0.09 0.54 0.02 0.00 0.00 175.30 175.98 3dby s ASN 5 N 0.85 3.85 0.09 0.23 2.20 -1.26 -5.02 114.94 115.88 3dby s ASN 5 Ca 0.53 -1.09 -0.19 0.00 -0.94 0.00 0.00 52.86 51.17 3dby s ASN 5 Cb -0.24 -0.41 -0.08 0.00 -2.00 0.00 0.00 41.25 38.53 3dby s ASN 5 CO 0.29 -0.15 1.59 0.22 -2.94 0.00 0.00 177.10 176.10 3dby h TYR 6 N 2.01 0.41 -0.34 1.54 3.20 -1.94 -1.58 116.97 120.27 3dby h TYR 6 Ca -0.42 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.37 3dby h TYR 6 Cb 1.25 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 3dby h TYR 6 CO 0.76 0.48 0.07 0.93 -1.64 0.00 0.00 178.16 178.76 3dby h GLU 7 N 0.22 0.56 -0.16 1.82 3.07 -1.98 0.76 114.58 118.87 3dby h GLU 7 Ca 0.08 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.62 3dby h GLU 7 Cb 0.28 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3dby h GLU 7 CO 0.00 0.63 -0.60 0.93 -1.40 0.00 0.00 179.01 178.57 3dby h GLU 8 N 0.40 0.55 -0.10 2.33 5.08 -1.99 -1.98 114.58 118.89 3dby h GLU 8 Ca 0.11 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 3dby h GLU 8 Cb 0.33 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dby h GLU 8 CO 0.00 0.99 -0.15 0.77 -1.00 0.00 0.00 179.01 179.62 3dby h SER 9 N 0.41 0.30 -0.34 1.42 0.02 -1.12 -1.68 113.55 112.56 3dby h SER 9 Ca -0.00 -0.54 0.02 0.00 -0.84 0.00 0.00 61.79 60.44 3dby h SER 9 Cb 1.16 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3dby h SER 9 CO 0.11 0.78 0.17 0.00 -1.14 0.00 0.00 176.83 176.75 3dby h ALA 10 N 0.53 0.41 -0.17 3.77 0.00 -0.89 0.13 119.26 123.04 3dby h ALA 10 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 10 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3dby h ALA 10 CO 0.03 -0.21 0.11 -0.07 0.00 0.00 0.00 179.25 179.12 3dby h LEU 11 N 0.35 0.20 -0.10 0.00 3.38 -1.35 -1.25 115.31 116.54 3dby h LEU 11 Ca 0.14 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3dby h LEU 11 Cb 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3dby h LEU 11 CO -0.10 0.16 0.05 0.15 0.09 0.00 0.00 178.44 178.79 3dby h PHE 12 N 0.22 0.09 -0.30 1.13 3.57 -1.09 -0.81 116.94 119.75 3dby h PHE 12 Ca 0.06 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3dby h PHE 12 Cb -0.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3dby h PHE 12 CO -0.06 0.05 -0.03 0.93 -2.23 0.00 0.00 178.31 176.97 3dby h GLU 13 N 0.10 0.55 0.16 1.11 4.39 -0.61 -0.50 114.58 119.79 3dby h GLU 13 Ca 0.04 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3dby h GLU 13 Cb 0.01 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3dby h GLU 13 CO -0.03 0.72 -0.08 0.45 -1.16 0.00 0.00 179.01 178.91 3dby h HIS 14 N 0.34 -0.20 -0.96 4.33 3.86 -1.24 -0.88 115.15 120.39 3dby h HIS 14 Ca 0.08 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3dby h HIS 14 Cb 0.49 0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.97 3dby h HIS 14 CO 0.04 -0.13 0.62 1.96 0.86 0.00 0.00 177.93 181.29 3dby h GLN 15 N -0.22 1.13 0.07 2.45 4.20 -0.97 0.19 115.11 121.96 3dby h GLN 15 Ca -0.02 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3dby h GLN 15 Cb 0.17 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3dby h GLN 15 CO 0.04 0.75 -0.03 0.35 -0.67 0.00 0.00 178.83 179.26 3dby h PHE 16 N 1.16 -0.08 0.13 2.96 3.57 -0.83 -2.92 116.94 120.93 3dby h PHE 16 Ca 0.40 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.62 3dby h PHE 16 Cb 0.08 0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.86 3dby h PHE 16 CO -0.01 0.13 -1.23 -1.49 -2.23 0.00 0.00 178.31 173.48 3dby h TRP 17 N -0.29 0.57 -0.26 0.41 4.06 -0.97 -1.20 115.95 118.27 3dby h TRP 17 Ca -0.01 -0.40 -0.13 0.00 2.06 0.00 0.00 58.89 60.42 3dby h TRP 17 Cb 0.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 3dby h TRP 17 CO -0.01 1.30 -0.36 -0.07 -3.56 0.00 0.00 178.44 175.73 3dby h LEU 18 N 0.11 0.60 -0.39 -4.49 3.38 -0.72 -0.37 115.31 113.43 3dby h LEU 18 Ca -0.14 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 3dby h LEU 18 Cb 1.94 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 3dby h LEU 18 CO 0.21 0.91 -0.23 0.50 0.09 0.00 0.00 178.44 179.92 3dby h LYS 19 N 0.48 0.83 -0.68 1.13 3.64 -1.46 -1.58 116.57 118.93 3dby h LYS 19 Ca 0.05 -0.38 0.11 0.00 -1.27 0.00 0.00 60.65 59.16 3dby h LYS 19 Cb 0.85 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.58 3dby h LYS 19 CO 0.07 1.02 0.26 0.28 -2.27 0.00 0.00 179.45 178.81 3dby h VAL 20 N 0.64 0.72 0.02 2.00 2.07 -0.85 -1.18 116.25 119.68 3dby h VAL 20 Ca 0.08 -0.15 -0.21 0.00 0.82 0.00 0.00 66.70 67.24 3dby h VAL 20 Cb 0.79 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3dby h VAL 20 CO 0.06 0.08 -0.96 -0.07 0.02 0.00 0.00 177.57 176.70 3dby h LEU 21 N 0.43 0.24 -0.54 2.57 3.38 -0.99 0.47 115.31 120.88 3dby h LEU 21 Ca 0.35 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3dby h LEU 21 Cb 0.48 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3dby h LEU 21 CO -0.35 1.06 0.36 0.74 0.09 0.00 0.00 178.44 180.34 3dby h THR 22 N 0.08 1.14 0.10 0.22 2.02 -1.09 -1.08 112.91 114.29 3dby h THR 22 Ca -0.05 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.90 3dby h THR 22 Cb 1.63 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3dby h THR 22 CO 0.14 0.13 -0.32 0.44 0.37 0.00 0.00 175.52 176.29 3dby h ASP 23 N 0.73 -0.93 -0.51 4.18 3.45 -0.86 -0.68 116.42 121.80 3dby h ASP 23 Ca 0.20 0.11 0.10 0.00 0.43 0.00 0.00 57.03 57.87 3dby h ASP 23 Cb -0.08 0.36 -0.08 0.00 -0.56 0.00 0.00 39.33 38.96 3dby h ASP 23 CO -0.04 -0.40 0.02 0.45 -1.57 0.00 0.00 179.24 177.69 3dby h HIS 24 N -0.53 0.00 -0.48 4.55 3.86 -0.72 0.17 115.15 122.00 3dby h HIS 24 Ca 0.04 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3dby h HIS 24 Cb 0.57 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 3dby h HIS 24 CO -0.30 -0.10 0.27 0.00 0.86 0.00 0.00 177.93 178.66 3dby h ALA 25 N 1.45 0.61 -0.65 2.45 0.00 -0.92 0.25 119.26 122.44 3dby h ALA 25 Ca 0.26 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3dby h ALA 25 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3dby h ALA 25 CO -0.41 0.12 0.15 0.37 0.00 0.00 0.00 179.25 179.48 3dby h GLN 26 N 0.63 1.03 -0.39 0.00 5.75 -0.47 -0.78 115.11 120.88 3dby h GLN 26 Ca 0.17 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 3dby h GLN 26 Cb 0.03 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 3dby h GLN 26 CO -0.03 0.91 -0.06 0.74 -2.65 0.00 0.00 178.83 177.74 3dby h PHE 27 N 0.98 0.81 -0.75 3.99 0.04 -0.31 -1.90 116.94 119.80 3dby h PHE 27 Ca 0.21 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3dby h PHE 27 Cb 0.35 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 3dby h PHE 27 CO 0.02 0.85 0.46 -0.07 -0.60 0.00 0.00 178.31 178.98 3dby h LEU 28 N 0.54 0.90 0.10 1.54 3.38 -0.78 -1.67 115.31 119.32 3dby h LEU 28 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dby h LEU 28 Cb 0.57 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3dby h LEU 28 CO 0.03 0.70 -0.05 0.25 0.09 0.00 0.00 178.44 179.46 3dby h LEU 29 N 1.03 -0.11 -1.37 1.67 5.85 -0.97 -2.40 115.31 119.01 3dby h LEU 29 Ca 0.27 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3dby h LEU 29 Cb -0.04 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3dby h LEU 29 CO -0.05 -0.07 -0.12 0.44 -0.34 0.00 0.00 178.44 178.30 3dby h ASP 30 N -0.15 0.00 1.23 1.25 3.45 -1.25 -3.16 116.42 117.79 3dby h ASP 30 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3dby h ASP 30 Cb 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3dby h ASP 30 CO 0.02 0.12 -0.40 0.00 -1.57 0.00 0.00 179.24 177.42 3dby h ALA 31 N 1.88 0.76 -2.75 3.45 0.00 -0.83 -3.47 119.26 118.30 3dby h ALA 31 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3dby h ALA 31 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dby h ALA 31 CO 0.02 0.00 0.46 -0.51 0.00 0.00 0.00 179.25 179.21 3dby s LEU 32 N -4.75 4.48 0.56 0.00 1.43 -0.96 -0.37 118.68 119.06 3dby s LEU 32 Ca 0.07 2.21 -0.20 0.00 -1.03 0.00 0.00 54.13 55.18 3dby s LEU 32 Cb 0.11 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3dby s LEU 32 CO 0.69 -0.20 1.23 0.00 0.23 0.00 0.00 176.35 178.30 3dby s ALA 33 N -1.26 2.67 0.57 4.21 0.00 -0.62 -4.87 121.76 122.46 3dby s ALA 33 Ca 0.47 1.07 0.31 0.00 0.00 0.00 0.00 51.96 53.81 3dby s ALA 33 Cb -0.30 -3.46 1.42 0.00 0.00 0.00 0.00 23.12 20.78 3dby s ALA 33 CO 0.38 -1.12 1.78 -1.35 0.00 0.00 0.00 175.76 175.45 3dby h PRO 34 N 1.21 0.00 0.00 0.00 0.11 -1.95 0.07 132.00 131.44 3dby h PRO 34 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dby h PRO 34 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dby h PRO 34 CO 0.56 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.71 3dby n LYS 35 N -3.84 0.25 -1.10 1.05 2.85 -1.26 -4.23 118.16 111.89 3dby n LYS 35 Ca 0.17 0.25 -0.32 0.00 -1.05 0.00 0.00 58.31 57.36 3dby n LYS 35 Cb 1.01 -1.82 -0.03 0.00 -0.65 0.00 0.00 35.03 33.54 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 -2.27 3.09 -0.14 -1.58 -0.58 0.01 -4.69 120.64 114.48 3dby n GLU 36 Ca 0.05 -1.91 -0.05 0.00 -0.42 0.00 0.00 57.16 54.83 3dby n GLU 36 Cb 0.40 -2.66 0.03 0.00 -0.57 0.00 0.00 31.44 28.64 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 5.44 0.43 0.24 3.49 1.79 -1.84 0.01 116.57 126.12 3dby h LYS 37 Ca 0.73 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 3dby h LYS 37 Cb 0.26 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 3dby h LYS 37 CO 1.64 0.28 -0.26 1.49 -1.08 0.00 0.00 179.45 181.52 3dby h GLU 38 N 0.44 -0.52 -0.03 3.15 4.81 -1.97 -1.41 114.58 119.06 3dby h GLU 38 Ca 0.19 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3dby h GLU 38 Cb 0.10 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3dby h GLU 38 CO -0.14 -0.35 -0.17 -0.44 -0.73 0.00 0.00 179.01 177.19 3dby h ASP 39 N -0.54 0.04 -0.44 1.04 3.32 -1.90 -1.67 116.42 116.27 3dby h ASP 39 Ca -0.00 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3dby h ASP 39 Cb 0.51 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3dby h ASP 39 CO -0.07 0.21 -0.02 0.40 -1.72 0.00 0.00 179.24 178.04 3dby h ILE 40 N 0.04 1.26 -0.50 0.35 2.04 -0.80 -0.27 117.51 119.63 3dby h ILE 40 Ca 0.01 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3dby h ILE 40 Cb 0.32 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3dby h ILE 40 CO 0.02 0.37 0.28 0.50 0.00 0.00 0.00 178.15 179.32 3dby h LYS 41 N 0.63 0.53 -0.24 2.37 3.11 -0.95 -0.30 116.57 121.73 3dby h LYS 41 Ca 0.12 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 3dby h LYS 41 Cb 0.52 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 3dby h LYS 41 CO 0.03 0.35 0.11 0.87 -2.81 0.00 0.00 179.45 178.00 3dby h LYS 42 N 0.55 0.34 -0.74 1.90 1.57 -1.18 -2.18 116.57 116.84 3dby h LYS 42 Ca 0.21 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3dby h LYS 42 Cb 0.07 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 3dby h LYS 42 CO -0.12 0.36 0.45 0.00 -0.57 0.00 0.00 179.45 179.57 3dby h ALA 43 N 0.97 0.99 -0.78 3.86 0.00 -0.92 -0.91 119.26 122.46 3dby h ALA 43 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 43 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3dby h ALA 43 CO -0.01 0.20 0.32 1.15 0.00 0.00 0.00 179.25 180.91 3dby h THR 44 N 0.86 1.26 -0.80 0.00 2.02 -0.90 -0.02 112.91 115.32 3dby h THR 44 Ca 0.31 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3dby h THR 44 Cb 0.10 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3dby h THR 44 CO -0.14 0.33 0.42 0.22 0.37 0.00 0.00 175.52 176.72 3dby h TYR 45 N 1.13 1.11 -0.29 3.16 3.20 -0.98 -1.51 116.97 122.79 3dby h TYR 45 Ca 0.26 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.95 3dby h TYR 45 Cb 0.20 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3dby h TYR 45 CO 0.02 0.78 -0.43 0.74 -1.64 0.00 0.00 178.16 177.63 3dby h PHE 46 N 1.11 0.89 -0.16 -3.82 0.04 -0.46 0.18 116.94 114.72 3dby h PHE 46 Ca 0.28 -0.28 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3dby h PHE 46 Cb 0.06 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3dby h PHE 46 CO 0.01 1.04 0.01 0.28 -0.60 0.00 0.00 178.31 179.04 3dby h VAL 47 N 0.60 0.89 -0.13 -0.55 2.07 -0.80 -0.03 116.25 118.31 3dby h VAL 47 Ca 0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3dby h VAL 47 Cb 0.99 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3dby h VAL 47 CO 0.09 0.01 0.08 -0.33 0.02 0.00 0.00 177.57 177.45 3dby h GLU 48 N 0.06 0.17 -0.45 1.57 5.08 -1.20 -0.88 114.58 118.93 3dby h GLU 48 Ca 0.08 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3dby h GLU 48 Cb 0.09 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3dby h GLU 48 CO -0.12 0.12 0.27 1.15 -1.00 0.00 0.00 179.01 179.43 3dby h THR 49 N 0.16 1.05 0.01 1.13 2.02 -0.40 -0.83 112.91 116.06 3dby h THR 49 Ca 0.05 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.84 3dby h THR 49 Cb -0.01 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3dby h THR 49 CO -0.01 0.10 -0.88 -0.26 0.37 0.00 0.00 175.52 174.84 3dby h PHE 50 N 0.55 0.24 0.02 3.16 0.04 -1.00 -0.94 116.94 119.02 3dby h PHE 50 Ca 0.18 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3dby h PHE 50 Cb 0.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3dby h PHE 50 CO -0.07 0.96 -0.01 1.15 -0.60 0.00 0.00 178.31 179.74 3dby h THR 51 N 0.09 1.01 -0.63 -1.55 2.02 -1.01 -1.34 112.91 111.50 3dby h THR 51 Ca -0.04 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.09 3dby h THR 51 Cb 1.52 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.96 3dby h THR 51 CO 0.13 0.02 0.35 0.78 0.37 0.00 0.00 175.52 177.18 3dby h ASN 52 N -0.07 0.53 -0.27 4.18 2.35 -1.10 -1.57 115.58 119.63 3dby h ASN 52 Ca -0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3dby h ASN 52 Cb 0.06 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3dby h ASN 52 CO 0.01 0.36 0.17 -0.07 -1.65 0.00 0.00 177.43 176.24 3dby h LEU 53 N 0.67 0.31 -0.51 1.61 3.38 -1.00 -2.41 115.31 117.36 3dby h LEU 53 Ca 0.27 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3dby h LEU 53 Cb 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dby h LEU 53 CO -0.16 0.24 0.32 0.25 0.09 0.00 0.00 178.44 179.18 3dby h LEU 54 N 0.36 0.52 -2.01 1.67 5.85 -1.15 -1.28 115.31 119.27 3dby h LEU 54 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3dby h LEU 54 Cb -0.02 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3dby h LEU 54 CO -0.02 0.37 0.00 0.78 -0.34 0.00 0.00 178.44 179.23 3dby h ASN 55 N 0.64 0.00 -0.01 1.25 2.35 -1.09 -2.98 115.58 115.74 3dby h ASN 55 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dby h ASN 55 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3dby h ASN 55 CO -0.08 0.00 -0.69 1.17 -1.65 0.00 0.00 177.43 176.19 3dby n LYS 56 N -2.77 0.94 0.12 0.81 4.81 -0.53 -4.60 118.16 116.94 3dby n LYS 56 Ca -0.01 -0.47 -0.00 0.00 -0.87 0.00 0.00 58.31 56.96 3dby n LYS 56 Cb 0.13 -1.42 0.27 0.00 0.02 0.00 0.00 35.03 34.03 3dby n LYS 56 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 3dby h VAL 57 N 1.11 1.29 0.00 3.15 3.04 -1.28 -3.29 116.25 120.27 3dby h VAL 57 Ca 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 3dby h VAL 57 Cb 0.58 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3dby h VAL 57 CO 0.00 0.41 0.00 0.54 -1.01 0.00 0.00 177.57 177.51 3dby n ARG 58 N -4.07 0.00 0.00 4.17 1.74 -1.26 -4.98 116.66 112.26 3dby n ARG 58 Ca -0.01 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3dby n ARG 58 Cb 0.44 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 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 -0.85 0.00 -0.08 0.55 3.02 -1.24 -4.98 115.26 111.68 3dby n ASN 59 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3dby n ASN 59 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3dby n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dby n ASN 61 N 0.00 -0.79 -0.00 6.41 3.02 -1.26 -5.11 115.26 117.52 3dby n ASN 61 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3dby n ASN 61 Cb 0.00 -0.31 0.27 0.00 -0.61 0.00 0.00 39.78 39.13 3dby n ASN 61 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dby h LEU 62 N 0.00 0.50 -0.01 3.41 3.38 -1.93 -0.68 115.31 119.98 3dby h LEU 62 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dby h LEU 62 Cb 0.62 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dby h LEU 62 CO 0.00 0.60 0.00 0.24 0.09 0.00 0.00 178.44 179.37 3dby h MET 63 N 0.50 0.01 -0.75 1.13 2.86 -1.90 -0.15 114.93 116.64 3dby h MET 63 Ca 0.10 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3dby h MET 63 Cb 0.39 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3dby h MET 63 CO 0.02 0.28 0.39 0.00 1.06 0.00 0.00 176.91 178.66 3dby h ALA 64 N 0.73 1.27 -0.59 6.32 0.00 -1.85 -2.10 119.26 123.04 3dby h ALA 64 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3dby h ALA 64 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3dby h ALA 64 CO 0.00 0.58 0.25 0.35 0.00 0.00 0.00 179.25 180.43 3dby h PHE 65 N 1.05 0.85 -0.28 0.00 3.57 -0.65 -2.73 116.94 118.75 3dby h PHE 65 Ca 0.26 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3dby h PHE 65 Cb 0.06 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3dby h PHE 65 CO 0.01 0.65 -0.14 0.77 -2.23 0.00 0.00 178.31 177.36 3dby h SER 66 N 0.84 0.47 -0.52 0.41 0.02 -0.34 0.11 113.55 114.54 3dby h SER 66 Ca 0.20 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 3dby h SER 66 Cb 0.14 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3dby h SER 66 CO -0.02 0.64 -0.04 0.11 -1.14 0.00 0.00 176.83 176.38 3dby h LYS 67 N 0.44 0.94 -0.37 3.45 1.57 -1.26 0.91 116.57 122.25 3dby h LYS 67 Ca 0.08 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.42 3dby h LYS 67 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3dby h LYS 67 CO 0.03 0.98 -0.22 1.49 -0.57 0.00 0.00 179.45 181.17 3dby h GLU 68 N 0.81 0.81 -0.72 3.15 4.81 -0.93 -2.37 114.58 120.14 3dby h GLU 68 Ca 0.14 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3dby h GLU 68 Cb 0.58 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3dby h GLU 68 CO 0.03 1.00 0.35 0.00 -0.73 0.00 0.00 179.01 179.66 3dby h ALA 69 N 0.79 1.26 -0.72 2.92 0.00 -0.74 -2.51 119.26 120.27 3dby h ALA 69 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3dby h ALA 69 Cb 0.78 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3dby h ALA 69 CO 0.06 0.57 0.20 1.49 0.00 0.00 0.00 179.25 181.57 3dby h GLU 70 N 1.01 1.13 -0.18 0.00 4.81 -0.68 0.62 114.58 121.30 3dby h GLU 70 Ca 0.25 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3dby h GLU 70 Cb 0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3dby h GLU 70 CO -0.03 0.98 0.10 0.37 -0.73 0.00 0.00 179.01 179.70 3dby h GLN 71 N 1.07 0.26 -0.38 1.92 5.75 -1.05 -0.85 115.11 121.84 3dby h GLN 71 Ca 0.23 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.74 3dby h GLN 71 Cb 0.34 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3dby h GLN 71 CO -0.00 0.26 0.12 0.00 -2.65 0.00 0.00 178.83 176.56 3dby h ALA 72 N 0.98 0.43 -0.46 3.38 0.00 -1.32 -2.02 119.26 120.25 3dby h ALA 72 Ca 0.06 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dby h ALA 72 Cb 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3dby h ALA 72 CO -0.01 -0.27 0.22 0.00 0.00 0.00 0.00 179.25 179.19 3dby h ALA 73 N 1.25 0.58 -0.13 0.00 0.00 -0.70 -0.74 119.26 119.52 3dby h ALA 73 Ca 0.17 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dby h ALA 73 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dby h ALA 73 CO -0.18 -0.14 -0.10 0.87 0.00 0.00 0.00 179.25 179.69 3dby h LYS 74 N 0.43 0.20 0.01 0.00 1.57 -0.98 -2.01 116.57 115.79 3dby h LYS 74 Ca 0.20 -0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 58.71 3dby h LYS 74 Cb 0.13 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.43 3dby h LYS 74 CO -0.16 0.31 -0.93 0.93 -0.57 0.00 0.00 179.45 179.03 3dby h GLU 75 N 0.19 0.61 -0.17 3.15 5.08 -0.52 -2.57 114.58 120.35 3dby h GLU 75 Ca 0.04 -0.67 -0.06 0.00 -1.00 0.00 0.00 59.36 57.67 3dby h GLU 75 Cb 0.30 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3dby h GLU 75 CO 0.02 1.27 -0.17 0.97 -1.00 0.00 0.00 179.01 180.09 3dby h ILE 76 N 0.23 1.21 -0.51 3.13 2.10 -1.13 -1.50 117.51 121.04 3dby h ILE 76 Ca -0.12 -0.93 0.03 0.00 1.08 0.00 0.00 64.86 64.92 3dby h ILE 76 Cb 1.60 1.27 -0.04 0.00 -1.09 0.00 0.00 36.82 38.57 3dby h ILE 76 CO 0.18 0.29 0.28 -0.09 -1.08 0.00 0.00 178.15 177.73 3dby h ARG 77 N 0.26 0.53 -0.54 2.19 2.43 -1.33 0.18 114.38 118.09 3dby h ARG 77 Ca 0.05 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3dby h ARG 77 Cb 0.46 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3dby h ARG 77 CO 0.03 0.35 0.14 0.00 -1.51 0.00 0.00 179.97 178.98 3dby h ALA 78 N 1.25 0.71 -0.14 2.80 0.00 -1.10 -1.21 119.26 121.58 3dby h ALA 78 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 78 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3dby h ALA 78 CO -0.13 0.41 0.00 0.35 0.00 0.00 0.00 179.25 179.88 3dby h PHE 79 N 0.76 -0.01 -0.35 0.00 3.57 -0.99 -0.32 116.94 119.61 3dby h PHE 79 Ca 0.17 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3dby h PHE 79 Cb 0.33 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3dby h PHE 79 CO 0.02 -0.02 0.23 0.87 -2.23 0.00 0.00 178.31 177.18 3dby h LYS 80 N 0.05 0.45 -0.11 1.11 1.57 -0.37 -1.78 116.57 117.49 3dby h LYS 80 Ca 0.07 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3dby h LYS 80 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3dby h LYS 80 CO -0.11 0.30 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.83 3dby h LEU 81 N 0.46 0.17 -0.67 2.94 3.38 -0.96 -1.96 115.31 118.68 3dby h LEU 81 Ca 0.13 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 3dby h LEU 81 Cb -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3dby h LEU 81 CO -0.04 0.36 -0.24 -1.13 0.09 0.00 0.00 178.44 177.48 3dby h ASN 82 N 0.17 0.79 -0.42 -0.43 -1.24 -0.44 -0.46 115.58 113.55 3dby h ASN 82 Ca 0.03 -0.29 -0.06 0.00 0.71 0.00 0.00 56.30 56.69 3dby h ASN 82 Cb 0.41 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 3dby h ASN 82 CO 0.03 1.00 0.02 0.40 -1.29 0.00 0.00 177.43 177.59 3dby h ILE 83 N 0.67 1.26 -0.29 2.57 2.04 -0.85 -1.74 117.51 121.17 3dby h ILE 83 Ca 0.09 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3dby h ILE 83 Cb 0.76 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3dby h ILE 83 CO 0.06 0.33 0.19 0.40 0.00 0.00 0.00 178.15 179.13 3dby h ILE 84 N 0.57 1.08 -0.27 -0.67 2.04 -1.21 0.92 117.51 119.96 3dby h ILE 84 Ca 0.12 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3dby h ILE 84 Cb 0.45 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3dby h ILE 84 CO 0.02 0.08 -0.24 -0.61 0.00 0.00 0.00 178.15 177.39 3dby h GLN 85 N 0.38 -0.23 -0.58 2.37 4.15 -1.00 -0.39 115.11 119.81 3dby h GLN 85 Ca 0.10 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 3dby h GLN 85 Cb -0.03 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3dby h GLN 85 CO -0.02 -0.15 0.32 0.87 -1.93 0.00 0.00 178.83 177.92 3dby h LYS 86 N -0.24 0.79 -0.63 1.69 1.57 -1.09 -1.96 116.57 116.71 3dby h LYS 86 Ca 0.15 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3dby h LYS 86 Cb 0.46 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3dby h LYS 86 CO -0.41 0.58 0.36 1.96 -0.57 0.00 0.00 179.45 181.37 3dby h GLN 87 N 0.80 0.67 0.00 3.15 4.20 0.45 0.45 115.11 124.83 3dby h GLN 87 Ca 0.21 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3dby h GLN 87 Cb 0.01 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3dby h GLN 87 CO -0.04 0.44 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.41 3dby h LEU 88 N 0.69 0.00 -2.12 1.46 3.38 -0.58 -1.97 115.31 116.16 3dby h LEU 88 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3dby h LEU 88 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dby h LEU 88 CO -0.14 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 177.85 3dby n GLU 89 N -3.21 2.20 -2.10 1.13 1.02 -0.79 -4.99 120.64 113.91 3dby n GLU 89 Ca 0.01 -2.01 -0.07 0.00 -0.02 0.00 0.00 57.16 55.07 3dby n GLU 89 Cb 0.37 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.27 0.11 0.74 0.62 0.00 0.32 -4.95 105.19 103.31 3dby n GLY 90 Ca 0.15 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.70 2.62 -3.64 1.61 5.02 0.13 -4.98 118.16 117.22 3dby n LYS 91 Ca -0.08 -2.80 -0.15 0.00 -2.02 0.00 0.00 58.31 53.26 3dby n LYS 91 Cb 0.55 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.84 0.02 -0.31 -0.18 2.07 -1.26 -4.92 121.20 113.79 3dby s ILE 92 Ca 0.40 -0.15 -0.06 0.00 -1.41 0.00 0.00 60.65 59.44 3dby s ILE 92 Cb 0.33 -0.82 0.03 0.00 0.13 0.00 0.00 42.46 42.13 3dby s ILE 92 CO 0.08 -0.08 0.06 -0.89 -1.91 0.00 0.00 174.94 172.20 3dby s THR 93 N -0.86 3.66 -0.01 4.00 2.01 -1.26 -4.85 115.64 118.33 3dby s THR 93 Ca -0.09 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 3dby s THR 93 Cb -0.03 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3dby s THR 93 CO 0.06 -0.02 0.18 -0.51 -0.69 0.00 0.00 174.62 173.64 3dby s ILE 94 N 1.42 0.07 -0.43 1.82 2.07 -1.26 -1.60 121.20 123.29 3dby s ILE 94 Ca -0.00 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 3dby s ILE 94 Cb -0.18 -0.45 0.53 0.00 0.13 0.00 0.00 42.46 42.50 3dby s ILE 94 CO 0.01 -0.30 1.85 1.41 -1.91 0.00 0.00 174.94 176.00 3dby n HIS 95 N 1.65 2.69 -5.11 3.50 8.25 0.50 -4.81 115.22 121.88 3dby n HIS 95 Ca -0.21 -1.91 -0.30 0.00 -0.26 0.00 0.00 57.72 55.04 3dby n HIS 95 Cb 0.56 -0.96 -0.15 0.00 1.12 0.00 0.00 29.99 30.55 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 -2.95 2.22 0.66 4.41 2.99 -1.26 -5.03 117.98 119.02 3dby s PHE 96 Ca 0.51 -0.41 -0.12 0.00 0.00 0.00 0.00 56.93 56.90 3dby s PHE 96 Cb 0.42 -1.40 -0.01 0.00 0.00 0.00 0.00 43.02 42.03 3dby s PHE 96 CO 0.07 0.02 1.05 0.95 -0.00 0.00 0.00 175.22 177.31 3dby s THR 97 N -0.66 4.16 0.41 0.64 -4.23 -1.26 -4.90 115.64 109.79 3dby s THR 97 Ca 0.10 0.76 0.10 0.00 -1.18 0.00 0.00 61.69 61.47 3dby s THR 97 Cb -0.10 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.55 3dby s THR 97 CO 0.00 -0.86 1.98 -0.65 -0.54 0.00 0.00 174.62 174.55 3dby h PRO 98 N -0.40 0.53 -0.24 3.99 0.11 -1.98 -2.20 132.00 131.80 3dby h PRO 98 Ca -0.44 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3dby h PRO 98 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3dby h PRO 98 CO 0.58 0.35 -0.36 1.15 -0.21 0.00 0.00 178.00 179.51 3dby h THR 99 N 0.55 1.29 -0.06 -1.15 2.02 -1.98 0.26 112.91 113.84 3dby h THR 99 Ca 0.28 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 3dby h THR 99 Cb 0.38 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3dby h THR 99 CO -0.08 0.47 0.03 0.15 0.37 0.00 0.00 175.52 176.45 3dby h PHE 100 N 0.45 0.08 -0.34 3.16 3.57 -1.78 0.58 116.94 122.66 3dby h PHE 100 Ca 0.05 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3dby h PHE 100 Cb 0.83 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3dby h PHE 100 CO 0.03 0.15 -0.02 0.82 -2.23 0.00 0.00 178.31 177.06 3dby h ILE 101 N -0.01 1.20 -0.79 1.41 2.04 -1.29 -2.02 117.51 118.04 3dby h ILE 101 Ca 0.02 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3dby h ILE 101 Cb 0.10 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3dby h ILE 101 CO -0.00 0.28 0.52 -1.13 0.00 0.00 0.00 178.15 177.82 3dby h ASN 102 N 0.50 0.87 -0.36 1.72 -1.24 0.06 -1.18 115.58 115.95 3dby h ASN 102 Ca 0.11 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 3dby h ASN 102 Cb 0.35 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 3dby h ASN 102 CO 0.01 0.61 -0.09 0.45 -1.29 0.00 0.00 177.43 177.13 3dby h HIS 103 N 1.01 0.87 -0.69 0.67 3.86 -0.26 -0.95 115.15 119.66 3dby h HIS 103 Ca 0.31 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3dby h HIS 103 Cb -0.02 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 3dby h HIS 103 CO -0.00 0.84 0.44 0.52 0.86 0.00 0.00 177.93 180.59 3dby h MET 104 N 0.72 0.92 -0.32 2.45 2.86 -0.63 -2.23 114.93 118.71 3dby h MET 104 Ca 0.13 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3dby h MET 104 Cb 0.56 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3dby h MET 104 CO 0.03 0.62 0.12 0.28 1.06 0.00 0.00 176.91 179.02 3dby h VAL 105 N 0.94 1.19 -1.00 -2.22 2.07 -0.62 -2.07 116.25 114.54 3dby h VAL 105 Ca 0.25 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.25 3dby h VAL 105 Cb -0.08 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3dby h VAL 105 CO -0.05 0.21 0.64 0.78 0.02 0.00 0.00 177.57 179.17 3dby h ASN 106 N 0.37 0.99 0.25 0.57 2.35 -0.85 -0.64 115.58 118.63 3dby h ASN 106 Ca 0.11 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3dby h ASN 106 Cb 0.21 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3dby h ASN 106 CO -0.01 0.59 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.92 3dby h GLU 107 N 1.10 -0.33 -0.63 0.81 5.08 -1.23 -2.26 114.58 117.13 3dby h GLU 107 Ca 0.46 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.92 3dby h GLU 107 Cb 0.30 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3dby h GLU 107 CO -0.21 0.01 0.42 -0.24 -1.00 0.00 0.00 179.01 177.99 3dby h VAL 108 N -0.71 0.94 -0.18 3.13 3.04 -1.14 -0.68 116.25 120.64 3dby h VAL 108 Ca -0.03 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.45 3dby h VAL 108 Cb 0.49 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 3dby h VAL 108 CO 0.06 0.09 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.34 3dby h GLU 109 N 0.51 0.27 -0.57 4.17 5.08 -0.86 0.13 114.58 123.31 3dby h GLU 109 Ca 0.28 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3dby h GLU 109 Cb 0.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3dby h GLU 109 CO -0.09 0.33 -0.05 0.93 -1.00 0.00 0.00 179.01 179.13 3dby h GLU 110 N 0.27 1.05 -0.48 2.33 4.39 -0.55 -0.87 114.58 120.72 3dby h GLU 110 Ca 0.06 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 3dby h GLU 110 Cb 0.25 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3dby h GLU 110 CO 0.01 1.06 0.26 -0.92 -1.16 0.00 0.00 179.01 178.26 3dby h TYR 111 N 0.94 0.65 -0.46 4.33 3.20 -0.65 -1.87 116.97 123.11 3dby h TYR 111 Ca 0.16 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3dby h TYR 111 Cb 0.62 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3dby h TYR 111 CO 0.04 0.49 0.24 0.82 -1.64 0.00 0.00 178.16 178.11 3dby h ILE 112 N 0.63 1.15 -0.14 1.81 2.04 -0.76 0.80 117.51 123.05 3dby h ILE 112 Ca 0.17 -0.41 -0.16 0.00 1.00 0.00 0.00 64.86 65.46 3dby h ILE 112 Cb 0.05 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3dby h ILE 112 CO -0.03 0.17 -0.58 0.00 0.00 0.00 0.00 178.15 177.72 3dby h ALA 113 N 1.62 0.75 -0.18 1.87 0.00 -0.76 -2.11 119.26 120.45 3dby h ALA 113 Ca 0.16 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3dby h ALA 113 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dby h ALA 113 CO -0.02 0.70 -0.44 0.28 0.00 0.00 0.00 179.25 179.77 3dby h VAL 114 N 0.33 1.31 0.00 0.00 2.07 -0.49 -3.14 116.25 116.33 3dby h VAL 114 Ca 0.00 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 3dby h VAL 114 Cb 1.10 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3dby h VAL 114 CO 0.10 0.50 -0.31 -0.07 0.02 0.00 0.00 177.57 177.80 3dby h LEU 115 N 0.35 0.00 -0.61 2.57 3.38 -0.39 -2.01 115.31 118.60 3dby h LEU 115 Ca 0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3dby h LEU 115 Cb 0.91 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 3dby h LEU 115 CO 0.08 0.31 0.26 -0.08 0.09 0.00 0.00 178.44 179.10 3dby h GLU 116 N 0.00 0.46 -0.19 1.13 4.81 -1.34 0.83 114.58 120.28 3dby h GLU 116 Ca -0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3dby h GLU 116 Cb 0.85 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3dby h GLU 116 CO 0.04 0.31 -0.18 0.74 -0.73 0.00 0.00 179.01 179.19 3dby h PHE 117 N 0.48 0.55 -0.23 0.92 0.04 -1.55 -3.33 116.94 113.82 3dby h PHE 117 Ca 0.30 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 3dby h PHE 117 Cb 0.32 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3dby h PHE 117 CO -0.14 0.82 -0.19 -0.07 -0.60 0.00 0.00 178.31 178.13 3dby h LEU 118 N 0.13 0.40 -1.78 1.54 3.38 -0.81 -1.70 115.31 116.47 3dby h LEU 118 Ca 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3dby h LEU 118 Cb 0.72 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3dby h LEU 118 CO 0.05 0.61 -0.08 0.11 0.09 0.00 0.00 178.44 179.22 3dby h LYS 119 N 0.37 0.03 -0.48 1.13 1.57 -0.97 -2.32 116.57 115.91 3dby h LYS 119 Ca 0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dby h LYS 119 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3dby h LYS 119 CO 0.04 0.12 0.00 0.36 -0.57 0.00 0.00 179.45 179.40 3dby n LYS 120 N -4.42 2.39 -1.03 3.15 2.85 -0.82 -4.85 118.16 115.41 3dby n LYS 120 Ca -0.02 -2.12 -0.01 0.00 -1.05 0.00 0.00 58.31 55.10 3dby n LYS 120 Cb 0.17 -1.49 -0.00 0.00 -0.65 0.00 0.00 35.03 33.06 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 1.46 0.49 3.87 2.58 0.00 -0.87 -5.03 105.19 107.69 3dby n GLY 121 Ca 0.20 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.44 3.79 0.03 1.61 2.02 -0.70 -4.97 118.70 119.04 3dby s GLU 122 Ca 0.00 0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.91 3dby s GLU 122 Cb 0.00 -2.83 -0.08 0.00 0.10 0.00 0.00 34.13 31.33 3dby s GLU 122 CO 0.00 0.44 1.74 0.08 0.02 0.00 0.00 175.26 177.54 3dby s VAL 123 N -1.61 3.16 0.32 2.63 1.01 -1.26 -3.92 120.40 120.72 3dby s VAL 123 Ca 0.41 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 3dby s VAL 123 Cb -0.13 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 3dby s VAL 123 CO 0.21 -0.02 1.49 -2.84 0.00 0.00 0.00 175.10 173.94 3dby s PRO 124 N 3.48 4.18 0.85 2.72 0.02 -1.26 -4.94 135.00 140.04 3dby s PRO 124 Ca 0.78 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 64.16 3dby s PRO 124 Cb -0.39 -3.03 0.10 0.00 0.02 0.00 0.00 34.50 31.21 3dby s PRO 124 CO 0.34 -0.50 1.10 -1.25 -0.33 0.00 0.00 177.00 176.35 3dby s PRO 125 N -1.16 1.59 -0.40 5.54 0.04 -1.26 -4.98 135.00 134.37 3dby s PRO 125 Ca 0.57 1.07 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 3dby s PRO 125 Cb -0.45 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.28 3dby s PRO 125 CO 0.53 -2.08 0.78 0.08 0.04 0.00 0.00 177.00 176.34 3dby s VAL 126 N -2.86 4.70 1.09 -0.36 1.01 -1.26 -5.05 120.40 117.67 3dby s VAL 126 Ca 0.63 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.17 3dby s VAL 126 Cb -0.18 -4.25 0.24 0.00 0.00 0.00 0.00 36.38 32.18 3dby s VAL 126 CO 0.57 -0.55 1.05 -0.36 0.00 0.00 0.00 175.10 175.81 3dby s PHE 127 N 3.18 1.63 0.62 5.22 0.08 -1.26 -4.97 117.98 122.49 3dby s PHE 127 Ca 0.31 1.14 -0.19 0.00 0.12 0.00 0.00 56.93 58.31 3dby s PHE 127 Cb -0.13 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.13 3dby s PHE 127 CO 0.19 -3.48 1.20 1.58 -0.10 0.00 0.00 175.22 174.62 3dby n HIS 128 N -4.63 1.64 -0.09 0.36 -0.00 -1.26 -4.74 115.22 106.50 3dby n HIS 128 Ca 0.04 0.43 -0.00 0.00 -0.00 0.00 0.00 57.72 58.18 3dby n HIS 128 Cb 0.55 -2.24 0.27 0.00 -0.00 0.00 0.00 29.99 28.57 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3dby h GLU 129 N 0.66 0.72 0.00 1.57 4.11 -1.93 -1.67 114.58 118.04 3dby h GLU 129 Ca -0.50 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 58.80 3dby h GLU 129 Cb 1.34 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dby h GLU 129 CO 0.53 0.61 -0.09 -0.07 0.07 0.00 0.00 179.01 180.06 3dby h LEU 130 N 0.71 0.00 0.05 3.06 3.38 -1.97 -2.03 115.31 118.51 3dby h LEU 130 Ca 0.17 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3dby h LEU 130 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3dby h LEU 130 CO -0.01 0.09 -0.10 -0.74 0.09 0.00 0.00 178.44 177.77 3dby h HIS 131 N 0.00 -0.26 -1.00 1.13 2.76 -1.66 -1.91 115.15 114.21 3dby h HIS 131 Ca -0.00 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3dby h HIS 131 Cb 0.22 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 3dby h HIS 131 CO 0.00 -0.16 0.66 1.88 -1.30 0.00 0.00 177.93 179.01 3dby h TYR 132 N -0.20 1.24 -0.52 5.26 0.05 -1.47 -2.08 116.97 119.26 3dby h TYR 132 Ca 0.02 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 3dby h TYR 132 Cb 0.22 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 3dby h TYR 132 CO -0.14 0.76 0.14 0.45 -1.05 0.00 0.00 178.16 178.32 3dby h HIS 133 N 1.32 0.85 0.00 4.88 3.86 -1.27 0.39 115.15 125.18 3dby h HIS 133 Ca 0.38 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 3dby h HIS 133 Cb -0.11 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 3dby h HIS 133 CO -0.00 0.74 -0.17 -0.07 0.86 0.00 0.00 177.93 179.29 3dby h LEU 134 N 0.71 0.00 0.04 2.43 3.38 -1.13 -2.21 115.31 118.54 3dby h LEU 134 Ca 0.16 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 3dby h LEU 134 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dby h LEU 134 CO -0.00 0.17 -1.37 0.58 0.09 0.00 0.00 178.44 177.90 3dby h VAL 135 N 0.00 0.91 0.00 1.22 2.07 -0.83 -3.43 116.25 116.18 3dby h VAL 135 Ca -0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3dby h VAL 135 Cb 0.53 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3dby h VAL 135 CO 0.02 0.49 -0.84 0.79 0.02 0.00 0.00 177.57 178.06 3dby n TRP 136 N -4.19 0.36 -0.03 1.57 7.02 0.13 -3.74 117.44 118.57 3dby n TRP 136 Ca -0.30 0.11 -0.14 0.00 -1.02 0.00 0.00 57.50 56.14 3dby n TRP 136 Cb 0.77 -0.51 -0.09 0.00 -2.42 0.00 0.00 31.31 29.06 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 0.26 -1.16 -0.99 3.38 -1.58 -0.78 115.31 114.44 3dby h LEU 137 Ca 0.00 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 3dby h LEU 137 Cb 0.72 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3dby h LEU 137 CO 0.00 0.82 0.21 0.71 0.09 0.00 0.00 178.44 180.27 3dby h THR 138 N -0.29 1.20 -0.11 0.22 1.35 -1.79 -0.72 112.91 112.77 3dby h THR 138 Ca -0.01 -0.65 0.04 0.00 -0.55 0.00 0.00 66.41 65.25 3dby h THR 138 Cb 0.80 0.55 -0.06 0.00 -1.73 0.00 0.00 68.15 67.71 3dby h THR 138 CO 0.04 0.25 -0.26 -0.78 -0.25 0.00 0.00 175.52 174.52 3dby h ASP 139 N 0.79 -0.81 -0.74 5.36 3.58 -1.62 0.27 116.42 123.25 3dby h ASP 139 Ca 0.19 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 3dby h ASP 139 Cb 0.17 0.35 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 3dby h ASP 139 CO -0.02 -0.31 0.42 0.00 -2.88 0.00 0.00 179.24 176.45 3dby h ALA 140 N 0.56 0.94 -0.67 -0.78 0.00 -0.81 0.21 119.26 118.72 3dby h ALA 140 Ca 0.09 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 140 Cb 0.48 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3dby h ALA 140 CO -0.31 0.44 0.40 0.00 0.00 0.00 0.00 179.25 179.79 3dby h ALA 141 N 1.22 0.88 -0.15 0.00 0.00 -0.98 -0.77 119.26 119.45 3dby h ALA 141 Ca 0.26 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3dby h ALA 141 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dby h ALA 141 CO -0.04 0.14 -0.49 0.78 0.00 0.00 0.00 179.25 179.64 3dby h GLY 142 N 0.78 0.42 0.48 0.00 0.00 -0.21 0.20 103.07 104.74 3dby h GLY 142 Ca 0.28 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3dby h GLY 142 CO -0.13 0.41 -0.35 0.45 0.00 0.00 0.00 176.54 176.93 3dby h HIS 143 N 0.31 -0.94 -0.59 5.60 3.86 -0.36 0.41 115.15 123.44 3dby h HIS 143 Ca 0.02 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3dby h HIS 143 Cb 0.97 0.39 -0.03 0.00 1.06 0.00 0.00 27.41 29.80 3dby h HIS 143 CO 0.03 -0.46 0.18 0.00 0.86 0.00 0.00 177.93 178.54 3dby h ALA 144 N -0.07 1.22 0.00 2.45 0.00 -0.96 -1.98 119.26 119.93 3dby h ALA 144 Ca 0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3dby h ALA 144 Cb 0.62 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dby h ALA 144 CO -0.15 0.55 -0.40 0.78 0.00 0.00 0.00 179.25 180.02 3dby h GLY 145 N 0.99 0.00 1.77 0.00 0.00 -0.53 -1.45 103.07 103.85 3dby h GLY 145 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.32 3dby h GLY 145 CO -0.01 0.00 -0.92 1.48 0.00 0.00 0.00 176.54 177.10 3dby h SER 146 N 0.00 0.27 0.20 0.19 4.64 -0.50 -1.28 113.55 117.07 3dby h SER 146 Ca -0.00 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3dby h SER 146 Cb 0.83 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3dby h SER 146 CO 0.05 1.05 -0.10 0.40 -0.87 0.00 0.00 176.83 177.36 3dby h ILE 147 N 0.11 0.80 -0.52 0.95 2.04 -1.17 -0.36 117.51 119.36 3dby h ILE 147 Ca -0.05 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3dby h ILE 147 Cb 1.56 0.81 -0.11 0.00 -0.74 0.00 0.00 36.82 38.34 3dby h ILE 147 CO 0.14 0.00 -0.27 0.28 0.00 0.00 0.00 178.15 178.30 3dby h SER 148 N -0.27 -0.93 1.21 1.72 0.02 -1.16 -2.38 113.55 111.76 3dby h SER 148 Ca -0.03 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3dby h SER 148 Cb 0.21 0.48 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 3dby h SER 148 CO 0.05 -0.28 -0.04 1.23 -1.14 0.00 0.00 176.83 176.65 3dby h GLY 149 N -0.14 0.00 -1.01 -3.77 0.00 -1.05 -3.12 103.07 93.98 3dby h GLY 149 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3dby h GLY 149 CO -0.61 0.00 -0.32 0.61 0.00 0.00 0.00 176.54 176.22 3dby n GLY 150 N 0.28 0.16 3.83 4.60 0.00 -0.16 -4.95 105.19 108.96 3dby n GLY 150 Ca 0.01 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.35 4.16 0.71 0.99 1.43 -0.97 -1.20 118.68 121.44 3dby s LEU 151 Ca 0.22 1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 54.53 3dby s LEU 151 Cb 0.19 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3dby s LEU 151 CO 0.49 -0.13 1.26 -0.62 0.23 0.00 0.00 176.35 177.58 3dby s ASP 152 N -2.04 4.23 0.51 2.29 2.15 -0.66 -4.88 116.67 118.29 3dby s ASP 152 Ca 0.51 2.53 0.33 0.00 0.43 0.00 0.00 52.55 56.34 3dby s ASP 152 Cb -0.13 -2.61 1.46 0.00 -0.30 0.00 0.00 42.92 41.34 3dby s ASP 152 CO 0.18 -2.25 1.80 0.25 -0.17 0.00 0.00 175.17 174.99 3dby h LEU 153 N 0.02 0.09 -0.51 -1.34 5.85 -1.96 -1.52 115.31 115.94 3dby h LEU 153 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3dby h LEU 153 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3dby h LEU 153 CO 0.51 0.01 -0.23 1.33 -0.34 0.00 0.00 178.44 179.72 3dby n VAL 154 N -4.28 0.00 -1.58 1.05 0.24 -1.26 -4.37 118.33 108.13 3dby n VAL 154 Ca 0.25 -0.13 -0.40 0.00 -2.04 0.00 0.00 64.34 62.02 3dby n VAL 154 Cb 1.15 0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.61 3.63 -0.04 7.34 -0.58 -0.57 -4.70 120.64 125.11 3dby n GLU 155 Ca 0.13 -2.57 -0.12 0.00 -0.42 0.00 0.00 57.16 54.17 3dby n GLU 155 Cb 0.35 -2.90 -0.07 0.00 -0.57 0.00 0.00 31.44 28.24 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 5.23 0.20 -0.43 3.49 1.79 -1.83 -2.16 116.57 122.86 3dby h LYS 156 Ca 0.75 -0.08 0.09 0.00 -2.18 0.00 0.00 60.65 59.22 3dby h LYS 156 Cb 0.39 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 30.94 3dby h LYS 156 CO 1.76 0.54 -0.29 0.00 -1.08 0.00 0.00 179.45 180.37 3dby h ARG 157 N -0.14 -0.20 -0.77 3.15 -0.00 -1.98 -1.19 114.38 113.25 3dby h ARG 157 Ca 0.02 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 3dby h ARG 157 Cb 0.47 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.45 3dby h ARG 157 CO 0.01 -0.13 0.40 -0.07 0.00 0.00 0.00 179.97 180.18 3dby h LEU 158 N -0.20 0.98 -0.58 3.04 3.38 -1.95 -2.02 115.31 117.96 3dby h LEU 158 Ca 0.19 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3dby h LEU 158 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dby h LEU 158 CO -0.55 0.80 -0.35 0.50 0.09 0.00 0.00 178.44 178.94 3dby h LYS 159 N 1.09 0.76 -0.64 1.13 3.64 -1.29 -1.91 116.57 119.34 3dby h LYS 159 Ca 0.27 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3dby h LYS 159 Cb 0.06 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3dby h LYS 159 CO -0.04 0.99 0.39 0.93 -2.27 0.00 0.00 179.45 179.45 3dby h GLU 160 N 0.63 0.86 -0.15 1.90 5.08 -1.03 0.50 114.58 122.38 3dby h GLU 160 Ca 0.06 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3dby h GLU 160 Cb 0.88 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3dby h GLU 160 CO 0.08 0.60 -0.42 -0.22 -1.00 0.00 0.00 179.01 178.05 3dby h LYS 161 N 0.88 0.55 -0.29 2.33 1.63 -1.31 -2.17 116.57 118.19 3dby h LYS 161 Ca 0.23 -0.39 -0.12 0.00 -0.85 0.00 0.00 60.65 59.52 3dby h LYS 161 Cb -0.04 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 3dby h LYS 161 CO -0.04 1.01 -0.33 0.66 -3.45 0.00 0.00 179.45 177.29 3dby h SER 162 N 0.18 0.66 -0.67 4.20 4.64 -1.09 -2.01 113.55 119.45 3dby h SER 162 Ca -0.01 -0.27 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 3dby h SER 162 Cb 1.03 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 3dby h SER 162 CO 0.09 0.94 0.44 -0.33 -0.87 0.00 0.00 176.83 177.11 3dby h GLU 163 N 0.54 0.72 -0.18 4.77 5.08 -0.89 -0.02 114.58 124.60 3dby h GLU 163 Ca 0.06 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 3dby h GLU 163 Cb 0.83 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3dby h GLU 163 CO 0.07 0.48 -0.63 1.49 -1.00 0.00 0.00 179.01 179.42 3dby h GLU 164 N 0.74 0.63 -0.64 2.33 4.81 -0.91 -1.63 114.58 119.91 3dby h GLU 164 Ca 0.28 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 3dby h GLU 164 Cb 0.18 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3dby h GLU 164 CO -0.09 1.06 0.14 0.74 -0.73 0.00 0.00 179.01 180.14 3dby h PHE 165 N 0.46 1.09 -0.42 0.92 0.04 -0.91 -1.55 116.94 116.58 3dby h PHE 165 Ca -0.01 -0.14 0.03 0.00 2.80 0.00 0.00 57.97 60.65 3dby h PHE 165 Cb 1.21 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 39.02 3dby h PHE 165 CO 0.06 0.91 0.21 1.15 -0.60 0.00 0.00 178.31 180.05 3dby h THR 166 N 0.96 0.98 -0.46 -1.55 2.02 -0.77 -1.70 112.91 112.40 3dby h THR 166 Ca 0.20 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 3dby h THR 166 Cb 0.38 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3dby h THR 166 CO 0.01 0.08 0.22 0.50 0.37 0.00 0.00 175.52 176.69 3dby h LYS 167 N 0.43 0.66 -0.56 6.66 3.64 -1.09 -1.47 116.57 124.85 3dby h LYS 167 Ca 0.18 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3dby h LYS 167 Cb 0.08 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3dby h LYS 167 CO -0.12 0.56 0.35 0.45 -2.27 0.00 0.00 179.45 178.42 3dby h HIS 168 N 0.59 0.71 -0.68 1.91 3.86 -1.09 -1.80 115.15 118.66 3dby h HIS 168 Ca 0.16 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3dby h HIS 168 Cb 0.12 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 3dby h HIS 168 CO -0.01 0.47 0.12 0.74 0.86 0.00 0.00 177.93 180.11 3dby h PHE 169 N 0.75 1.17 -0.64 2.45 0.04 -1.14 -0.77 116.94 118.81 3dby h PHE 169 Ca 0.20 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3dby h PHE 169 Cb -0.06 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.74 3dby h PHE 169 CO -0.03 0.98 0.35 0.93 -0.60 0.00 0.00 178.31 179.93 3dby h GLU 170 N 1.04 0.90 -0.44 1.51 5.08 -1.14 0.22 114.58 121.74 3dby h GLU 170 Ca 0.21 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 3dby h GLU 170 Cb 0.43 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3dby h GLU 170 CO 0.01 0.68 -0.23 1.96 -1.00 0.00 0.00 179.01 180.43 3dby h GLN 171 N 0.87 0.90 -0.52 2.33 4.20 -1.24 -1.28 115.11 120.38 3dby h GLN 171 Ca 0.22 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.56 3dby h GLN 171 Cb 0.05 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3dby h GLN 171 CO -0.04 1.04 0.33 0.74 -0.67 0.00 0.00 178.83 180.23 3dby h PHE 172 N 0.78 0.63 -0.21 2.96 0.04 -0.98 -2.05 116.94 118.10 3dby h PHE 172 Ca 0.10 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.93 3dby h PHE 172 Cb 0.79 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 3dby h PHE 172 CO 0.05 0.38 -0.04 -0.92 -0.60 0.00 0.00 178.31 177.18 3dby h TYR 173 N 0.68 -0.08 -0.99 -0.55 3.20 -0.31 -0.29 116.97 118.62 3dby h TYR 173 Ca 0.20 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.21 3dby h TYR 173 Cb -0.05 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.21 3dby h TYR 173 CO -0.05 -0.07 0.62 -0.07 -1.64 0.00 0.00 178.16 176.95 3dby h LEU 174 N 0.02 0.90 -0.40 2.82 3.38 -1.03 0.75 115.31 121.74 3dby h LEU 174 Ca 0.10 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 174 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3dby h LEU 174 CO -0.21 0.47 -0.05 0.50 0.09 0.00 0.00 178.44 179.24 3dby h LYS 175 N 0.96 0.75 -0.96 1.13 3.64 -0.76 -2.96 116.57 118.37 3dby h LYS 175 Ca 0.50 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3dby h LYS 175 Cb 0.51 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 3dby h LYS 175 CO -0.27 0.85 0.63 0.00 -2.27 0.00 0.00 179.45 178.39 3dby h ALA 176 N 0.87 1.36 -0.70 5.00 0.00 -0.12 -0.10 119.26 125.56 3dby h ALA 176 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dby h ALA 176 Cb 0.55 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3dby h ALA 176 CO 0.03 0.55 0.45 0.28 0.00 0.00 0.00 179.25 180.56 3dby h VAL 177 N 1.24 1.11 -0.16 0.00 2.07 -0.81 -0.37 116.25 119.33 3dby h VAL 177 Ca 0.38 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.47 3dby h VAL 177 Cb -0.03 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3dby h VAL 177 CO -0.11 0.16 -0.40 -0.33 0.02 0.00 0.00 177.57 176.92 3dby h GLU 178 N 0.88 0.55 -0.24 1.57 4.39 -1.30 -2.98 114.58 117.47 3dby h GLU 178 Ca 0.28 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3dby h GLU 178 Cb -0.01 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3dby h GLU 178 CO -0.10 1.00 0.09 0.52 -1.16 0.00 0.00 179.01 179.36 3dby h MET 179 N 0.20 0.33 -0.30 2.33 2.86 -0.74 -1.58 114.93 118.03 3dby h MET 179 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3dby h MET 179 Cb 1.01 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 3dby h MET 179 CO 0.09 0.28 0.20 1.15 1.06 0.00 0.00 176.91 179.68 3dby h THR 180 N 0.33 1.08 -0.98 2.22 2.02 -0.98 -2.34 112.91 114.25 3dby h THR 180 Ca 0.08 -0.15 0.22 0.00 0.77 0.00 0.00 66.41 67.33 3dby h THR 180 Cb 0.07 0.65 -0.12 0.00 -1.74 0.00 0.00 68.15 67.02 3dby h THR 180 CO -0.01 0.08 0.57 1.23 0.37 0.00 0.00 175.52 177.76 3dby h GLY 181 N 0.40 1.81 1.99 2.16 0.00 -1.23 -2.21 103.07 106.00 3dby h GLY 181 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3dby h GLY 181 CO -0.02 -0.18 -0.12 -0.97 0.00 0.00 0.00 176.54 175.25 3dby h TYR 182 N 0.62 0.01 0.00 5.60 0.05 -0.77 -2.21 116.97 120.27 3dby h TYR 182 Ca 0.61 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.39 3dby h TYR 182 Cb 1.07 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 3dby h TYR 182 CO -0.02 0.13 0.31 -0.07 -1.05 0.00 0.00 178.16 177.45 3dby h LEU 183 N 0.01 0.00 -1.16 3.88 3.38 -1.19 -0.81 115.31 119.42 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 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dby h LEU 183 CO 0.02 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.58 3dby h ARG 184 N 0.00 0.00 0.00 1.13 3.08 -1.55 0.86 114.38 117.89 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 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 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 -2.76 0.95 -1.08 2.04 -2.24 -0.31 -4.87 114.28 106.00 3dby n THR 185 Ca 0.01 0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 62.00 3dby n THR 185 Cb 0.28 -1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 67.42 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 -1.35 -1.48 -3.39 -0.78 1.02 0.29 -4.99 120.64 109.97 3dby n GLU 186 Ca 0.04 0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 57.29 3dby n GLU 186 Cb 0.09 -4.67 -0.09 0.00 -0.02 0.00 0.00 31.44 26.75 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 -0.62 4.04 -0.01 -4.62 2.96 -1.26 -4.95 118.68 114.21 3dby s LEU 187 Ca 0.00 0.30 0.14 0.00 -0.22 0.00 0.00 54.13 54.35 3dby s LEU 187 Cb 0.00 -2.43 -0.19 0.00 0.50 0.00 0.00 46.19 44.07 3dby s LEU 187 CO 0.00 -0.18 0.45 1.41 -1.32 0.00 0.00 176.35 176.71 3dby n HIS 188 N 5.33 0.00 -4.20 5.38 8.25 -1.26 -4.47 115.22 124.25 3dby n HIS 188 Ca -0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.20 3dby n HIS 188 Cb 0.51 -0.17 -0.15 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.66 0.64 0.08 4.41 3.76 -1.26 -5.04 115.29 115.23 3dby s HIS 189 Ca -0.00 -0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 3dby s HIS 189 Cb 0.10 -0.50 0.06 0.00 1.11 0.00 0.00 32.58 33.35 3dby s HIS 189 CO 0.59 -0.09 0.57 -0.59 -0.85 0.00 0.00 174.74 174.37 3dby s PHE 190 N 0.34 -0.49 0.32 1.40 -0.12 -1.26 -5.07 117.98 113.10 3dby s PHE 190 Ca -0.04 0.48 0.06 0.00 -0.05 0.00 0.00 56.93 57.37 3dby s PHE 190 Cb -0.08 0.44 0.71 0.00 -0.63 0.00 0.00 43.02 43.46 3dby s PHE 190 CO -0.00 -0.73 1.84 -1.35 -0.05 0.00 0.00 175.22 174.93 3dby h PRO 191 N 2.45 0.79 -0.10 1.99 0.11 -2.01 -2.19 132.00 133.04 3dby h PRO 191 Ca -0.32 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 3dby h PRO 191 Cb 1.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3dby h PRO 191 CO 0.40 0.52 -0.29 0.00 -0.21 0.00 0.00 178.00 178.42 3dby h ALA 192 N 1.58 1.33 -0.15 -0.75 0.00 -1.99 -1.52 119.26 117.77 3dby h ALA 192 Ca 0.49 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3dby h ALA 192 Cb 0.67 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dby h ALA 192 CO -0.25 0.47 -0.19 1.25 0.00 0.00 0.00 179.25 180.53 3dby h LEU 193 N 0.16 0.42 -0.54 0.00 5.85 -1.83 -1.68 115.31 117.69 3dby h LEU 193 Ca 0.02 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.27 3dby h LEU 193 Cb 0.60 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3dby h LEU 193 CO 0.04 0.84 0.31 0.11 -0.34 0.00 0.00 178.44 179.40 3dby h LYS 194 N 0.01 0.58 -0.61 1.25 1.79 -1.22 -0.88 116.57 117.49 3dby h LYS 194 Ca 0.02 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3dby h LYS 194 Cb 0.74 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 3dby h LYS 194 CO 0.04 0.39 0.39 -0.22 -1.08 0.00 0.00 179.45 178.97 3dby h LYS 195 N 0.60 0.76 0.20 3.15 1.63 -1.36 -2.14 116.57 119.42 3dby h LYS 195 Ca 0.22 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 3dby h LYS 195 Cb 0.07 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 3dby h LYS 195 CO -0.12 0.51 -0.26 0.35 -3.45 0.00 0.00 179.45 176.47 3dby h PHE 196 N 0.79 -0.70 -0.89 1.91 3.57 -0.89 0.10 116.94 120.82 3dby h PHE 196 Ca 0.23 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.83 3dby h PHE 196 Cb -0.05 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3dby h PHE 196 CO -0.04 -0.37 0.58 1.15 -2.23 0.00 0.00 178.31 177.39 3dby h THR 197 N -0.52 0.98 -0.51 4.41 2.02 -1.06 -0.77 112.91 117.46 3dby h THR 197 Ca 0.01 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3dby h THR 197 Cb 0.51 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3dby h THR 197 CO -0.10 0.17 0.25 0.50 0.37 0.00 0.00 175.52 176.70 3dby h LYS 198 N 0.91 0.74 -0.61 6.66 3.64 -0.67 -0.91 116.57 126.32 3dby h LYS 198 Ca 0.41 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3dby h LYS 198 Cb 0.37 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3dby h LYS 198 CO -0.17 0.62 0.32 -0.44 -2.27 0.00 0.00 179.45 177.50 3dby h ASP 199 N 0.68 0.78 -0.44 4.20 3.32 0.19 -2.05 116.42 123.10 3dby h ASP 199 Ca 0.18 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3dby h ASP 199 Cb 0.12 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3dby h ASP 199 CO -0.02 0.67 0.18 0.58 -1.72 0.00 0.00 179.24 178.93 3dby h VAL 200 N 0.83 0.90 -0.53 -1.35 2.07 -1.14 -1.54 116.25 115.50 3dby h VAL 200 Ca 0.21 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3dby h VAL 200 Cb 0.07 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3dby h VAL 200 CO -0.03 0.07 0.20 0.28 0.02 0.00 0.00 177.57 178.10 3dby h SER 201 N 0.37 0.70 -0.28 0.57 0.02 -0.74 0.55 113.55 114.74 3dby h SER 201 Ca 0.20 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3dby h SER 201 Cb 0.16 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3dby h SER 201 CO -0.18 0.65 -0.06 0.25 -1.14 0.00 0.00 176.83 176.35 3dby h LEU 202 N 0.76 0.54 -1.01 5.07 5.85 -1.13 -1.55 115.31 123.84 3dby h LEU 202 Ca 0.18 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3dby h LEU 202 Cb 0.17 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3dby h LEU 202 CO -0.01 0.77 0.49 -0.08 -0.34 0.00 0.00 178.44 179.27 3dby h GLU 203 N 0.30 1.18 -0.19 1.25 4.57 -0.54 -1.61 114.58 119.54 3dby h GLU 203 Ca 0.07 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3dby h GLU 203 Cb 0.53 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3dby h GLU 203 CO 0.03 0.84 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.54 3dby h LEU 204 N 1.19 0.27 -0.21 1.64 3.38 -0.76 0.11 115.31 120.93 3dby h LEU 204 Ca 0.30 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3dby h LEU 204 Cb -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3dby h LEU 204 CO -0.05 0.41 -0.16 0.11 0.09 0.00 0.00 178.44 178.84 3dby h LYS 205 N 0.28 0.48 -0.68 1.13 1.57 -0.70 -1.21 116.57 117.44 3dby h LYS 205 Ca 0.06 -0.24 0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3dby h LYS 205 Cb 0.35 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 3dby h LYS 205 CO 0.02 0.80 0.38 -0.07 -0.57 0.00 0.00 179.45 180.01 3dby h LEU 206 N 0.17 0.57 -0.53 2.94 3.38 -1.08 -2.44 115.31 118.33 3dby h LEU 206 Ca 0.04 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3dby h LEU 206 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3dby h LEU 206 CO 0.04 0.37 -0.54 0.15 0.09 0.00 0.00 178.44 178.55 3dby h PHE 207 N 0.71 0.69 -0.46 1.13 3.57 -0.91 -1.83 116.94 119.83 3dby h PHE 207 Ca 0.31 -0.24 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3dby h PHE 207 Cb 0.19 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3dby h PHE 207 CO -0.07 0.97 0.26 0.77 -2.23 0.00 0.00 178.31 178.00 3dby h SER 208 N 0.43 0.40 -0.26 0.41 0.02 -1.07 0.91 113.55 114.38 3dby h SER 208 Ca 0.01 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3dby h SER 208 Cb 1.08 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3dby h SER 208 CO 0.10 0.28 0.11 -0.74 -1.14 0.00 0.00 176.83 175.45 3dby h HIS 209 N 0.51 0.21 -0.92 3.45 -0.00 -1.11 -0.02 115.15 117.27 3dby h HIS 209 Ca 0.19 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.62 3dby h HIS 209 Cb 0.05 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.34 3dby h HIS 209 CO -0.08 0.11 0.59 0.35 -0.00 0.00 0.00 177.93 178.89 3dby h PHE 210 N 0.25 1.09 -0.48 5.26 3.57 -1.05 -0.86 116.94 124.72 3dby h PHE 210 Ca 0.11 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3dby h PHE 210 Cb 0.05 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 3dby h PHE 210 CO -0.11 0.59 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.44 3dby h LEU 211 N 1.10 0.81 -0.65 0.59 3.38 -0.28 -0.90 115.31 119.35 3dby h LEU 211 Ca 0.38 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 3dby h LEU 211 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dby h LEU 211 CO -0.15 0.90 -0.22 0.45 0.09 0.00 0.00 178.44 179.52 3dby h HIS 212 N 0.76 0.94 -0.42 1.13 3.86 -0.48 0.72 115.15 121.65 3dby h HIS 212 Ca 0.14 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3dby h HIS 212 Cb 0.53 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3dby h HIS 212 CO 0.03 0.96 0.23 1.49 0.86 0.00 0.00 177.93 181.50 3dby h GLU 213 N 0.72 0.59 -0.53 2.45 4.81 -1.03 -0.57 114.58 121.02 3dby h GLU 213 Ca 0.10 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3dby h GLU 213 Cb 0.74 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3dby h GLU 213 CO 0.06 0.47 0.16 0.28 -0.73 0.00 0.00 179.01 179.25 3dby h VAL 214 N 0.55 1.23 -0.39 0.32 2.07 -0.85 -0.25 116.25 118.94 3dby h VAL 214 Ca 0.15 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.95 3dby h VAL 214 Cb 0.05 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3dby h VAL 214 CO -0.02 0.29 -0.04 -0.08 0.02 0.00 0.00 177.57 177.73 3dby h GLU 215 N 0.73 0.05 -0.64 1.57 4.81 -0.66 -0.06 114.58 120.39 3dby h GLU 215 Ca 0.17 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3dby h GLU 215 Cb 0.28 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3dby h GLU 215 CO -0.00 0.03 0.18 0.93 -0.73 0.00 0.00 179.01 179.42 3dby h GLU 216 N 0.05 0.98 -0.71 1.92 4.39 -0.71 -0.18 114.58 120.33 3dby h GLU 216 Ca 0.19 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3dby h GLU 216 Cb 0.28 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3dby h GLU 216 CO -0.36 0.86 0.45 -0.07 -1.16 0.00 0.00 179.01 178.73 3dby h LEU 217 N 0.95 0.84 -0.26 1.33 3.38 -0.61 -2.35 115.31 118.59 3dby h LEU 217 Ca 0.21 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3dby h LEU 217 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dby h LEU 217 CO -0.00 0.63 0.02 -0.33 0.09 0.00 0.00 178.44 178.85 3dby h GLU 218 N 0.97 0.45 -0.37 1.13 4.39 -0.55 0.18 114.58 120.78 3dby h GLU 218 Ca 0.26 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.85 3dby h GLU 218 Cb -0.07 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3dby h GLU 218 CO -0.05 0.60 0.25 -0.07 -1.16 0.00 0.00 179.01 178.57 3dby h LEU 219 N 0.24 0.33 -2.27 1.33 3.38 -0.84 -1.88 115.31 115.61 3dby h LEU 219 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dby h LEU 219 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dby h LEU 219 CO 0.01 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3dby n SER 220 N -4.48 3.42 -1.81 -0.43 3.41 -0.90 -4.96 113.62 107.87 3dby n SER 220 Ca 0.03 -2.00 -0.18 0.00 -0.26 0.00 0.00 58.87 56.46 3dby n SER 220 Cb 0.15 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.49 -5.27 -0.26 4.04 3.02 -0.44 -4.87 115.26 112.98 3dby n ASN 221 Ca 0.19 0.17 0.13 0.00 -0.03 0.00 0.00 54.58 55.04 3dby n ASN 221 Cb 0.61 -4.35 0.40 0.00 -0.61 0.00 0.00 39.78 35.83 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 -2.64 0.90 -4.94 3.52 1.02 0.50 -4.84 120.64 114.16 3dby n GLU 222 Ca -0.20 -0.52 -0.30 0.00 -0.02 0.00 0.00 57.16 56.11 3dby n GLU 222 Cb 0.64 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.46 2.22 -0.22 2.62 0.11 -1.21 -5.02 120.40 116.44 3dby s VAL 223 Ca 0.26 -1.31 -0.13 0.00 -2.93 0.00 0.00 61.98 57.87 3dby s VAL 223 Cb 0.19 -1.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.14 3dby s VAL 223 CO 0.50 0.40 0.26 -0.76 -3.33 0.00 0.00 175.10 172.17 3dby s LEU 224 N -1.16 4.14 -0.03 2.54 1.43 -1.26 -4.90 118.68 119.44 3dby s LEU 224 Ca 0.12 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 3dby s LEU 224 Cb -0.10 -2.28 0.12 0.00 0.03 0.00 0.00 46.19 43.96 3dby s LEU 224 CO 0.02 0.01 1.32 -0.94 0.23 0.00 0.00 176.35 176.99 3dby s SER 225 N 1.01 -0.03 -0.24 2.29 1.04 -1.26 -1.65 113.70 114.85 3dby s SER 225 Ca 0.12 -0.13 0.13 0.00 0.48 0.00 0.00 55.95 56.55 3dby s SER 225 Cb -0.14 0.13 0.51 0.00 0.10 0.00 0.00 66.02 66.62 3dby s SER 225 CO 0.06 -0.25 1.44 1.33 0.98 0.00 0.00 173.24 176.80 3dby n VAL 226 N -0.59 2.42 -2.60 5.02 0.24 -0.34 -4.93 118.33 117.55 3dby n VAL 226 Ca -0.06 -2.34 -0.22 0.00 -2.04 0.00 0.00 64.34 59.67 3dby n VAL 226 Cb 0.62 -0.29 0.07 0.00 -1.47 0.00 0.00 33.84 32.77 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 -3.06 3.12 0.15 1.34 1.43 -1.26 -5.04 118.68 115.37 3dby s LEU 227 Ca 0.43 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3dby s LEU 227 Cb 0.37 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 3dby s LEU 227 CO 0.04 -1.48 -0.04 -0.94 0.23 0.00 0.00 176.35 174.16 3dby s SER 228 N -4.57 1.41 0.28 2.29 1.04 -1.26 -5.03 113.70 107.87 3dby s SER 228 Ca 0.61 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 3dby s SER 228 Cb -0.08 0.07 0.41 0.00 0.10 0.00 0.00 66.02 66.52 3dby s SER 228 CO 0.41 -0.47 1.85 0.00 0.98 0.00 0.00 173.24 176.01 3dby h ALA 229 N 2.76 1.25 -0.66 5.32 0.00 -1.88 -2.72 119.26 123.34 3dby h ALA 229 Ca -0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3dby h ALA 229 Cb 1.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3dby h ALA 229 CO 0.64 0.54 0.26 -0.09 0.00 0.00 0.00 179.25 180.59 3dby h ARG 230 N 0.86 0.97 -0.40 0.00 2.43 -1.95 0.56 114.38 116.84 3dby h ARG 230 Ca 0.20 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3dby h ARG 230 Cb 0.21 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3dby h ARG 230 CO -0.01 0.79 0.06 1.98 -1.51 0.00 0.00 179.97 181.28 3dby h MET 231 N 0.95 0.67 -0.78 0.20 4.05 -1.93 -0.18 114.93 117.91 3dby h MET 231 Ca 0.22 -0.18 0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3dby h MET 231 Cb 0.19 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 3dby h MET 231 CO -0.02 0.72 0.51 0.00 0.23 0.00 0.00 176.91 178.35 3dby h ALA 232 N 0.92 0.99 -0.03 0.39 0.00 -1.14 0.10 119.26 120.49 3dby h ALA 232 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dby h ALA 232 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dby h ALA 232 CO 0.01 0.39 0.02 0.22 0.00 0.00 0.00 179.25 179.89 3dby h ASP 233 N 1.04 0.04 -0.33 0.00 3.58 -0.80 -1.98 116.42 117.97 3dby h ASP 233 Ca 0.29 -0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.77 3dby h ASP 233 Cb -0.11 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 40.88 3dby h ASP 233 CO -0.07 0.05 -0.04 -0.74 -2.88 0.00 0.00 179.24 175.57 3dby h HIS 234 N 0.02 -0.09 -0.70 0.28 2.76 -0.65 -0.29 115.15 116.48 3dby h HIS 234 Ca 0.01 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 3dby h HIS 234 Cb 0.02 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 3dby h HIS 234 CO -0.07 -0.10 0.40 0.52 -1.30 0.00 0.00 177.93 177.39 3dby h MET 235 N 0.05 0.73 -0.23 5.26 2.86 -0.71 -2.03 114.93 120.86 3dby h MET 235 Ca 0.16 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 3dby h MET 235 Cb 0.23 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3dby h MET 235 CO -0.31 0.49 -0.38 0.00 1.06 0.00 0.00 176.91 177.77 3dby h ALA 236 N 1.34 0.91 -0.39 6.32 0.00 -0.84 -1.10 119.26 125.50 3dby h ALA 236 Ca 0.30 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3dby h ALA 236 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dby h ALA 236 CO -0.16 0.63 0.14 0.00 0.00 0.00 0.00 179.25 179.85 3dby h ARG 237 N 0.44 0.60 -0.57 0.00 3.08 -0.67 -1.41 114.38 115.84 3dby h ARG 237 Ca 0.04 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3dby h ARG 237 Cb 0.86 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3dby h ARG 237 CO 0.07 0.59 0.37 0.93 -1.07 0.00 0.00 179.97 180.87 3dby h GLU 238 N 0.49 0.73 -0.67 0.04 5.08 -1.19 -1.82 114.58 117.23 3dby h GLU 238 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dby h GLU 238 Cb 0.23 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3dby h GLU 238 CO -0.01 0.48 0.42 0.93 -1.00 0.00 0.00 179.01 179.83 3dby h GLU 239 N 0.75 0.89 -0.45 2.33 4.39 -1.03 -1.53 114.58 119.93 3dby h GLU 239 Ca 0.22 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 3dby h GLU 239 Cb -0.06 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 3dby h GLU 239 CO -0.06 0.61 -0.15 0.00 -1.16 0.00 0.00 179.01 178.26 3dby h TYR 241 N 0.75 0.34 -0.07 0.00 3.20 -0.78 -0.10 116.97 120.30 3dby h TYR 241 Ca 0.12 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3dby h TYR 241 Cb 0.66 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3dby h TYR 241 CO 0.04 0.39 -0.24 -0.92 -1.64 0.00 0.00 178.16 175.78 3dby h TYR 242 N 0.19 -0.65 -0.47 -3.82 3.20 -1.20 -1.28 116.97 112.94 3dby h TYR 242 Ca 0.07 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.05 3dby h TYR 242 Cb 0.20 0.30 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 3dby h TYR 242 CO -0.00 -0.33 0.01 1.25 -1.64 0.00 0.00 178.16 177.45 3dby h LEU 243 N -0.34 -0.17 -0.15 2.82 5.85 -1.06 -0.35 115.31 121.90 3dby h LEU 243 Ca 0.08 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3dby h LEU 243 Cb 0.46 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3dby h LEU 243 CO -0.27 -0.05 0.04 0.25 -0.34 0.00 0.00 178.44 178.07 3dby h LEU 244 N 0.13 0.04 -1.01 2.25 5.85 -0.65 -0.50 115.31 121.41 3dby h LEU 244 Ca 0.23 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3dby h LEU 244 Cb 0.34 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3dby h LEU 244 CO -0.38 0.05 0.61 0.11 -0.34 0.00 0.00 178.44 178.49 3dby h LYS 245 N 0.11 1.28 -0.77 1.25 1.79 -1.03 0.42 116.57 119.62 3dby h LYS 245 Ca 0.07 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 3dby h LYS 245 Cb 0.05 -0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 30.38 3dby h LYS 245 CO -0.08 0.87 0.29 -0.07 -1.08 0.00 0.00 179.45 179.38 3dby h LEU 246 N 1.31 1.08 -0.27 2.94 3.38 -0.80 -0.20 115.31 122.76 3dby h LEU 246 Ca 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3dby h LEU 246 Cb -0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 3dby h LEU 246 CO -0.07 0.97 0.05 0.00 0.09 0.00 0.00 178.44 179.48 3dby h ALA 247 N 1.15 0.36 -0.59 1.53 0.00 -0.46 0.75 119.26 122.00 3dby h ALA 247 Ca 0.26 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3dby h ALA 247 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dby h ALA 247 CO -0.02 0.04 0.04 1.96 0.00 0.00 0.00 179.25 181.27 3dby h GLN 248 N 0.26 1.03 0.03 0.00 4.20 -0.91 -1.00 115.11 118.72 3dby h GLN 248 Ca 0.08 -0.31 -0.23 0.00 0.06 0.00 0.00 58.65 58.25 3dby h GLN 248 Cb 0.33 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3dby h GLN 248 CO 0.00 0.99 -1.10 0.66 -0.67 0.00 0.00 178.83 178.72 3dby h SER 249 N 0.92 0.11 0.13 1.46 4.64 -0.95 -3.35 113.55 116.51 3dby h SER 249 Ca 0.17 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dby h SER 249 Cb 0.51 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3dby h SER 249 CO 0.02 1.10 -1.47 -0.24 -0.87 0.00 0.00 176.83 175.37 3dby n SER 250 N -3.39 0.45 -0.23 4.97 2.88 0.25 -4.67 113.62 113.88 3dby n SER 250 Ca -0.03 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 3dby n SER 250 Cb 0.97 1.40 0.00 0.00 -0.75 0.00 0.00 64.21 65.83 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 1.35 1.00 3.83 0.46 0.00 -0.69 -5.05 105.19 106.08 3dby n GLY 251 Ca -0.00 -0.38 -0.22 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 -0.47 3.36 0.22 0.99 1.43 -0.47 -5.05 118.68 118.70 3dby s LEU 252 Ca 0.00 -0.76 -0.32 0.00 -1.03 0.00 0.00 54.13 52.02 3dby s LEU 252 Cb 0.00 -1.93 -0.13 0.00 0.03 0.00 0.00 46.19 44.16 3dby s LEU 252 CO 0.00 -0.53 1.50 1.21 0.23 0.00 0.00 176.35 178.76 3dby n GLU 253 N -1.41 2.21 -2.11 1.70 4.07 -1.26 -4.62 120.64 119.22 3dby n GLU 253 Ca 0.01 0.79 -0.39 0.00 -0.06 0.00 0.00 57.16 57.51 3dby n GLU 253 Cb 0.62 -2.51 -0.01 0.00 -0.06 0.00 0.00 31.44 29.49 3dby n GLU 253 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 3dby s MET 254 N 0.02 3.93 0.57 5.31 -1.94 -1.26 -4.85 119.30 121.08 3dby s MET 254 Ca 0.71 2.06 -0.16 0.00 -1.71 0.00 0.00 55.69 56.59 3dby s MET 254 Cb -0.63 -2.69 -0.05 0.00 2.01 0.00 0.00 34.83 33.47 3dby s MET 254 CO 0.45 -0.49 1.04 -1.25 -0.01 0.00 0.00 175.02 174.76 3dby s PRO 255 N -2.31 3.51 -1.11 2.03 0.04 -1.26 -4.95 135.00 130.95 3dby s PRO 255 Ca 0.58 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 3dby s PRO 255 Cb -0.36 -2.06 0.28 0.00 0.04 0.00 0.00 34.50 32.40 3dby s PRO 255 CO 0.46 -0.65 1.15 1.63 0.04 0.00 0.00 177.00 179.62 3dby n LYS 256 N -1.91 3.62 -3.57 4.56 5.02 -1.26 -4.92 118.16 119.70 3dby n LYS 256 Ca 0.08 -4.47 -0.15 0.00 -2.02 0.00 0.00 58.31 51.75 3dby n LYS 256 Cb 0.53 -2.54 -0.06 0.00 -0.02 0.00 0.00 35.03 32.94 3dby n LYS 256 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dby s ASN 258 N -1.70 5.79 0.56 0.00 2.47 -1.26 -4.98 114.94 115.82 3dby s ASN 258 Ca -0.08 -1.01 0.36 0.00 0.42 0.00 0.00 52.86 52.55 3dby s ASN 258 Cb -0.01 -2.04 1.73 0.00 -1.45 0.00 0.00 41.25 39.48 3dby s ASN 258 CO 0.02 -0.41 2.09 -0.65 -3.72 0.00 0.00 177.10 174.44 3dby h PRO 259 N 8.47 0.00 0.00 0.43 0.11 -1.90 -3.18 132.00 135.93 3dby h PRO 259 Ca -0.25 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 3dby h PRO 259 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3dby h PRO 259 CO 0.68 0.00 -0.82 -0.07 -0.21 0.00 0.00 178.00 177.58 3dby h LEU 260 N 0.00 0.00 -7.00 2.35 3.38 -1.93 -3.44 115.31 108.67 3dby h LEU 260 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3dby h LEU 260 Cb 0.28 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.78 3dby h LEU 260 CO 0.00 0.67 0.25 -0.70 0.09 0.00 0.00 178.44 178.76 3dby s GLU 261 N -2.87 0.55 0.84 1.13 2.12 -1.20 -4.94 118.70 114.32 3dby s GLU 261 Ca 0.02 0.86 -0.10 0.00 0.36 0.00 0.00 54.97 56.12 3dby s GLU 261 Cb 0.08 0.15 0.15 0.00 0.26 0.00 0.00 34.13 34.77 3dby s GLU 261 CO 0.78 -0.10 1.16 0.20 -0.54 0.00 0.00 175.26 176.76 3dby s GLY 262 N 1.18 1.75 0.41 -1.50 0.00 -1.26 -4.64 107.32 103.25 3dby s GLY 262 Ca -0.07 -1.27 0.28 0.00 0.00 0.00 0.00 44.72 43.66 3dby s GLY 262 CO -0.14 -0.64 1.79 1.12 0.00 0.00 0.00 173.10 175.23 3dby h HIS 263 N -1.10 0.00 0.00 1.90 2.07 -1.99 -3.38 115.15 112.66 3dby h HIS 263 Ca -0.42 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.07 3dby h HIS 263 Cb 1.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 3dby h HIS 263 CO -0.52 0.00 -1.11 1.58 -3.07 0.00 0.00 177.93 174.81 3dby n HIS 264 N -2.79 0.00 -2.55 6.12 -0.00 -1.26 -4.90 115.22 109.83 3dby n HIS 264 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.32 3dby n HIS 264 Cb 0.37 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.99 30.29 3dby n HIS 264 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3dby s HIS 265 N -2.04 2.74 0.11 1.57 5.65 -1.26 -4.83 115.29 117.23 3dby s HIS 265 Ca -0.02 -1.51 -0.25 0.00 0.25 0.00 0.00 55.06 53.52 3dby s HIS 265 Cb 0.01 -4.72 0.08 0.00 -1.18 0.00 0.00 32.58 26.77 3dby s HIS 265 CO 0.05 -1.78 1.09 -3.38 -0.65 0.00 0.00 174.74 170.07 3dby s HIS 266 N 4.59 -0.02 -0.25 3.88 -0.00 -1.26 -4.52 115.29 117.71 3dby s HIS 266 Ca 0.55 -0.26 0.16 0.00 -0.00 0.00 0.00 55.06 55.50 3dby s HIS 266 Cb 0.04 0.64 0.48 0.00 -0.00 0.00 0.00 32.58 33.73 3dby s HIS 266 CO 0.08 -0.69 1.15 0.72 -0.00 0.00 0.00 174.74 176.00 3dby n HIS 267 N -0.61 1.69 0.28 0.38 8.25 -1.26 -5.19 115.22 118.76 3dby n HIS 267 Ca -0.04 -2.01 0.03 0.00 -0.26 0.00 0.00 57.72 55.44 3dby n HIS 267 Cb 0.60 -0.27 0.03 0.00 1.12 0.00 0.00 29.99 31.47 3dby n HIS 267 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59