#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dby s ARG 4 N 0.00 4.63 0.38 5.31 0.52 -1.26 -5.07 118.95 123.46 3dby s ARG 4 Ca 0.00 1.44 0.08 0.00 -0.52 0.00 0.00 55.73 56.74 3dby s ARG 4 Cb 0.00 -3.41 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 3dby s ARG 4 CO 0.00 0.09 0.02 0.54 0.02 0.00 0.00 175.30 175.97 3dby s ASN 5 N 0.45 4.04 0.11 0.23 2.20 -1.26 -5.02 114.94 115.69 3dby s ASN 5 Ca 0.49 -1.17 -0.21 0.00 -0.94 0.00 0.00 52.86 51.04 3dby s ASN 5 Cb -0.22 -0.44 -0.09 0.00 -2.00 0.00 0.00 41.25 38.49 3dby s ASN 5 CO 0.29 -0.35 1.75 0.22 -2.94 0.00 0.00 177.10 176.07 3dby h TYR 6 N 1.77 0.11 0.04 1.54 3.20 -1.93 -1.21 116.97 120.49 3dby h TYR 6 Ca -0.43 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 3dby h TYR 6 Cb 1.25 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3dby h TYR 6 CO 0.71 0.07 -0.02 0.93 -1.64 0.00 0.00 178.16 178.21 3dby h GLU 7 N 0.13 -0.05 -0.17 1.82 3.07 -1.97 0.16 114.58 117.58 3dby h GLU 7 Ca 0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.80 3dby h GLU 7 Cb 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3dby h GLU 7 CO -0.04 0.09 -0.33 0.93 -1.40 0.00 0.00 179.01 178.25 3dby h GLU 8 N -0.17 0.54 -0.39 2.33 5.08 -2.00 -2.00 114.58 117.96 3dby h GLU 8 Ca -0.00 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3dby h GLU 8 Cb 0.16 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3dby h GLU 8 CO 0.01 0.95 0.21 1.03 -1.00 0.00 0.00 179.01 180.21 3dby h SER 9 N 0.18 0.33 -0.15 1.42 0.87 -1.17 -1.40 113.55 113.63 3dby h SER 9 Ca 0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3dby h SER 9 Cb 0.93 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 3dby h SER 9 CO 0.07 0.24 0.06 0.00 -0.53 0.00 0.00 176.83 176.67 3dby h ALA 10 N 1.19 0.19 -0.62 6.23 0.00 -0.59 -1.37 119.26 124.30 3dby h ALA 10 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3dby h ALA 10 Cb 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3dby h ALA 10 CO -0.09 -0.23 0.31 -0.07 0.00 0.00 0.00 179.25 179.16 3dby h LEU 11 N 0.09 0.41 0.13 0.00 3.38 -1.35 -1.37 115.31 116.60 3dby h LEU 11 Ca 0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dby h LEU 11 Cb 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dby h LEU 11 CO -0.00 0.26 -0.06 0.15 0.09 0.00 0.00 178.44 178.88 3dby h PHE 12 N 0.56 -0.16 -0.49 1.13 3.57 -1.05 -1.02 116.94 119.48 3dby h PHE 12 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3dby h PHE 12 Cb 0.24 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3dby h PHE 12 CO -0.11 -0.06 0.28 0.93 -2.23 0.00 0.00 178.31 177.13 3dby h GLU 13 N -0.22 0.67 0.10 1.11 4.39 -1.14 0.17 114.58 119.66 3dby h GLU 13 Ca -0.02 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3dby h GLU 13 Cb 0.17 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3dby h GLU 13 CO 0.03 0.50 -0.05 0.45 -1.16 0.00 0.00 179.01 178.78 3dby h HIS 14 N 0.65 -0.12 -0.49 4.33 3.86 -1.19 0.34 115.15 122.53 3dby h HIS 14 Ca 0.17 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 3dby h HIS 14 Cb 0.01 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 3dby h HIS 14 CO -0.02 0.09 0.20 1.96 0.86 0.00 0.00 177.93 181.02 3dby h GLN 15 N -0.32 0.38 0.63 2.45 4.20 -1.08 0.18 115.11 121.55 3dby h GLN 15 Ca -0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3dby h GLN 15 Cb 0.27 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3dby h GLN 15 CO 0.02 0.25 -0.39 0.35 -0.67 0.00 0.00 178.83 178.39 3dby h PHE 16 N 0.40 -1.05 -0.25 2.96 3.57 -0.37 -2.67 116.94 119.53 3dby h PHE 16 Ca 0.23 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 3dby h PHE 16 Cb 0.21 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3dby h PHE 16 CO -0.14 -0.60 -0.52 -1.49 -2.23 0.00 0.00 178.31 173.34 3dby h TRP 17 N -0.97 1.00 -0.09 0.41 4.06 -0.86 -2.56 115.95 116.94 3dby h TRP 17 Ca -0.08 -0.37 -0.11 0.00 2.06 0.00 0.00 58.89 60.40 3dby h TRP 17 Cb 0.79 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 3dby h TRP 17 CO -0.10 1.18 -0.43 -0.07 -3.56 0.00 0.00 178.44 175.45 3dby h LEU 18 N 0.54 0.21 -0.60 -4.49 3.38 -0.74 0.30 115.31 113.92 3dby h LEU 18 Ca 0.01 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3dby h LEU 18 Cb 1.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3dby h LEU 18 CO 0.12 0.63 0.02 0.50 0.09 0.00 0.00 178.44 179.79 3dby h LYS 19 N 0.17 1.04 -0.88 1.13 3.64 -1.42 -1.83 116.57 118.42 3dby h LYS 19 Ca 0.01 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3dby h LYS 19 Cb 0.84 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 3dby h LYS 19 CO 0.07 1.02 0.52 0.28 -2.27 0.00 0.00 179.45 179.07 3dby h VAL 20 N 0.94 1.25 -0.01 2.00 2.07 -0.97 0.57 116.25 122.09 3dby h VAL 20 Ca 0.17 -0.55 -0.22 0.00 0.82 0.00 0.00 66.70 66.92 3dby h VAL 20 Cb 0.54 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3dby h VAL 20 CO 0.03 0.26 -0.90 -0.07 0.02 0.00 0.00 177.57 176.91 3dby h LEU 21 N 1.21 0.51 -0.61 2.57 3.38 -0.97 0.25 115.31 121.66 3dby h LEU 21 Ca 0.31 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dby h LEU 21 Cb -0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3dby h LEU 21 CO -0.06 1.18 0.36 0.74 0.09 0.00 0.00 178.44 180.76 3dby h THR 22 N 0.23 1.18 0.06 0.22 2.02 -1.15 -0.88 112.91 114.59 3dby h THR 22 Ca -0.07 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 3dby h THR 22 Cb 1.53 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3dby h THR 22 CO 0.15 0.19 -0.04 0.44 0.37 0.00 0.00 175.52 176.64 3dby h ASP 23 N 0.82 -0.10 -0.84 4.18 3.45 -0.20 -2.08 116.42 121.66 3dby h ASP 23 Ca 0.22 0.01 0.15 0.00 0.43 0.00 0.00 57.03 57.83 3dby h ASP 23 Cb -0.01 0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 38.69 3dby h ASP 23 CO -0.04 -0.06 0.41 0.45 -1.57 0.00 0.00 179.24 178.43 3dby h HIS 24 N -0.10 0.71 -0.39 4.55 3.86 -0.17 0.48 115.15 124.10 3dby h HIS 24 Ca -0.00 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3dby h HIS 24 Cb 0.08 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3dby h HIS 24 CO -0.08 0.15 -0.32 0.00 0.86 0.00 0.00 177.93 178.53 3dby h ALA 25 N 1.57 0.57 -0.25 2.45 0.00 -0.86 -0.68 119.26 122.05 3dby h ALA 25 Ca 0.46 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 25 Cb 0.68 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3dby h ALA 25 CO -0.38 0.62 0.10 0.37 0.00 0.00 0.00 179.25 179.97 3dby h GLN 26 N 0.73 0.37 0.02 0.00 5.75 -0.68 -1.10 115.11 120.19 3dby h GLN 26 Ca 0.07 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3dby h GLN 26 Cb 0.91 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.40 3dby h GLN 26 CO 0.08 0.40 -0.01 0.74 -2.65 0.00 0.00 178.83 177.39 3dby h PHE 27 N 0.25 -0.02 -0.57 3.99 0.04 -0.64 -1.40 116.94 118.59 3dby h PHE 27 Ca 0.08 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.95 3dby h PHE 27 Cb 0.17 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 3dby h PHE 27 CO -0.01 0.02 0.16 -0.07 -0.60 0.00 0.00 178.31 177.81 3dby h LEU 28 N -0.05 0.10 -0.39 1.54 3.38 -1.13 -1.57 115.31 117.20 3dby h LEU 28 Ca -0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3dby h LEU 28 Cb 0.05 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3dby h LEU 28 CO 0.00 0.07 0.20 0.25 0.09 0.00 0.00 178.44 179.06 3dby h LEU 29 N 0.32 0.31 -0.16 1.67 5.85 -0.78 -2.20 115.31 120.32 3dby h LEU 29 Ca 0.29 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3dby h LEU 29 Cb 0.39 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3dby h LEU 29 CO -0.33 0.23 0.00 0.44 -0.34 0.00 0.00 178.44 178.43 3dby h ASP 30 N 0.42 0.00 0.59 1.25 3.45 -1.09 -3.19 116.42 117.85 3dby h ASP 30 Ca 0.16 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3dby h ASP 30 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3dby h ASP 30 CO -0.10 0.00 -0.68 0.00 -1.57 0.00 0.00 179.24 176.89 3dby n ALA 31 N -1.85 3.33 -1.75 3.45 0.00 -0.61 -4.89 120.51 118.20 3dby n ALA 31 Ca 0.05 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 3dby n ALA 31 Cb 0.41 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.64 4.60 0.45 0.00 1.43 -0.95 0.05 118.68 120.63 3dby s LEU 32 Ca 0.08 1.99 -0.23 0.00 -1.03 0.00 0.00 54.13 54.93 3dby s LEU 32 Cb 0.15 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 3dby s LEU 32 CO 0.74 0.09 1.19 0.00 0.23 0.00 0.00 176.35 178.60 3dby s ALA 33 N -1.22 3.02 0.51 4.21 0.00 -0.94 -4.88 121.76 122.45 3dby s ALA 33 Ca 0.42 0.99 0.33 0.00 0.00 0.00 0.00 51.96 53.70 3dby s ALA 33 Cb -0.26 -3.40 1.45 0.00 0.00 0.00 0.00 23.12 20.91 3dby s ALA 33 CO 0.33 -0.70 1.78 -1.35 0.00 0.00 0.00 175.76 175.82 3dby h PRO 34 N 2.17 0.09 0.00 0.00 0.11 -1.95 0.33 132.00 132.74 3dby h PRO 34 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dby h PRO 34 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dby h PRO 34 CO 0.61 0.06 0.00 0.36 -0.21 0.00 0.00 178.00 178.82 3dby n LYS 35 N -4.30 0.05 -1.47 1.05 2.85 -1.26 -4.02 118.16 111.06 3dby n LYS 35 Ca 0.26 0.19 -0.32 0.00 -1.05 0.00 0.00 58.31 57.39 3dby n LYS 35 Cb 1.19 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.94 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 -1.66 3.45 -0.28 -1.58 -0.58 0.11 -4.75 120.64 115.37 3dby n GLU 36 Ca 0.05 -2.35 0.06 0.00 -0.42 0.00 0.00 57.16 54.49 3dby n GLU 36 Cb 0.25 -2.50 0.16 0.00 -0.57 0.00 0.00 31.44 28.78 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 4.22 0.06 -0.32 3.49 1.79 -1.83 -0.79 116.57 123.19 3dby h LYS 37 Ca 0.63 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 59.02 3dby h LYS 37 Cb 0.59 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3dby h LYS 37 CO 1.27 0.04 -0.08 1.49 -1.08 0.00 0.00 179.45 181.09 3dby h GLU 38 N 0.06 0.61 0.00 3.15 4.81 -1.96 -1.81 114.58 119.45 3dby h GLU 38 Ca 0.43 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3dby h GLU 38 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3dby h GLU 38 CO -0.75 0.80 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.46 3dby h ASP 39 N 0.39 0.00 -0.40 1.04 3.32 -1.86 -1.45 116.42 117.46 3dby h ASP 39 Ca 0.08 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3dby h ASP 39 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3dby h ASP 39 CO 0.03 0.42 -0.26 0.40 -1.72 0.00 0.00 179.24 178.11 3dby h ILE 40 N 0.00 1.27 -0.33 0.35 2.04 -1.02 0.11 117.51 119.94 3dby h ILE 40 Ca -0.00 -1.42 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 3dby h ILE 40 Cb 0.96 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3dby h ILE 40 CO 0.05 0.48 0.09 0.50 0.00 0.00 0.00 178.15 179.27 3dby h LYS 41 N 0.78 0.52 -0.06 2.37 3.64 -1.25 -0.44 116.57 122.13 3dby h LYS 41 Ca 0.09 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3dby h LYS 41 Cb 0.82 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3dby h LYS 41 CO 0.07 0.58 -0.09 0.87 -2.27 0.00 0.00 179.45 178.60 3dby h LYS 42 N 0.38 -0.13 -0.77 1.90 1.57 -1.16 -1.63 116.57 116.72 3dby h LYS 42 Ca 0.10 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3dby h LYS 42 Cb 0.28 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3dby h LYS 42 CO -0.00 -0.09 0.50 0.00 -0.57 0.00 0.00 179.45 179.29 3dby h ALA 43 N 0.90 1.00 -0.77 3.86 0.00 -0.65 -1.42 119.26 122.17 3dby h ALA 43 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dby h ALA 43 Cb 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3dby h ALA 43 CO -0.14 0.34 0.50 1.15 0.00 0.00 0.00 179.25 181.10 3dby h THR 44 N 1.00 1.16 -0.98 0.00 2.02 -0.98 0.76 112.91 115.88 3dby h THR 44 Ca 0.30 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.19 3dby h THR 44 Cb -0.05 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.37 3dby h THR 44 CO -0.09 0.18 0.63 0.22 0.37 0.00 0.00 175.52 176.83 3dby h TYR 45 N 1.00 1.17 -0.24 3.16 3.20 -0.76 -1.24 116.97 123.25 3dby h TYR 45 Ca 0.29 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 62.03 3dby h TYR 45 Cb -0.05 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 37.83 3dby h TYR 45 CO -0.03 0.63 -0.53 0.74 -1.64 0.00 0.00 178.16 177.33 3dby h PHE 46 N 1.17 0.89 -0.19 -3.82 0.04 -0.54 0.37 116.94 114.85 3dby h PHE 46 Ca 0.41 -0.31 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3dby h PHE 46 Cb 0.12 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3dby h PHE 46 CO -0.01 1.09 0.07 0.28 -0.60 0.00 0.00 178.31 179.13 3dby h VAL 47 N 0.55 0.95 -0.20 -0.55 2.07 -0.44 -0.68 116.25 117.96 3dby h VAL 47 Ca 0.02 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3dby h VAL 47 Cb 1.10 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3dby h VAL 47 CO 0.11 0.03 0.11 -0.33 0.02 0.00 0.00 177.57 177.50 3dby h GLU 48 N 0.16 0.28 -0.31 1.57 5.08 -1.19 -1.74 114.58 118.42 3dby h GLU 48 Ca 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3dby h GLU 48 Cb 0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dby h GLU 48 CO -0.08 0.27 0.18 1.15 -1.00 0.00 0.00 179.01 179.53 3dby h THR 49 N 0.21 1.11 -0.01 1.13 2.02 -0.67 -0.69 112.91 116.01 3dby h THR 49 Ca 0.07 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.82 3dby h THR 49 Cb 0.08 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3dby h THR 49 CO -0.01 0.11 -0.71 -0.26 0.37 0.00 0.00 175.52 175.02 3dby h PHE 50 N 0.39 0.11 -0.25 3.16 0.04 -1.15 -1.61 116.94 117.64 3dby h PHE 50 Ca 0.11 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3dby h PHE 50 Cb 0.02 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3dby h PHE 50 CO -0.04 0.76 0.08 1.15 -0.60 0.00 0.00 178.31 179.66 3dby h THR 51 N 0.05 1.19 -0.06 -1.55 2.02 -1.15 -0.21 112.91 113.20 3dby h THR 51 Ca -0.01 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3dby h THR 51 Cb 1.25 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3dby h THR 51 CO 0.10 0.20 0.04 0.78 0.37 0.00 0.00 175.52 177.00 3dby h ASN 52 N 0.24 0.07 -0.85 4.18 2.35 -1.07 -1.41 115.58 119.09 3dby h ASN 52 Ca 0.08 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3dby h ASN 52 Cb 0.22 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 3dby h ASN 52 CO -0.00 0.07 0.53 -0.07 -1.65 0.00 0.00 177.43 176.31 3dby h LEU 53 N 0.06 0.85 -0.55 1.61 3.38 -1.19 -1.88 115.31 117.60 3dby h LEU 53 Ca 0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3dby h LEU 53 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3dby h LEU 53 CO -0.00 0.55 -0.03 0.25 0.09 0.00 0.00 178.44 179.30 3dby h LEU 54 N 0.99 0.97 -2.46 1.67 5.85 -0.77 -2.25 115.31 119.31 3dby h LEU 54 Ca 0.37 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3dby h LEU 54 Cb 0.13 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3dby h LEU 54 CO -0.16 1.06 -0.03 0.78 -0.34 0.00 0.00 178.44 179.75 3dby h ASN 55 N 0.86 0.00 0.62 1.25 2.35 -0.89 -3.10 115.58 116.67 3dby h ASN 55 Ca 0.15 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3dby h ASN 55 Cb 0.58 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 3dby h ASN 55 CO 0.03 0.03 -1.40 0.29 -1.65 0.00 0.00 177.43 174.73 3dby n LYS 56 N -3.50 0.63 -1.62 0.81 5.02 -0.74 -4.97 118.16 113.80 3dby n LYS 56 Ca -0.02 0.03 -0.47 0.00 -2.02 0.00 0.00 58.31 55.82 3dby n LYS 56 Cb 0.13 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 3dby n LYS 56 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3dby n VAL 57 N -2.57 0.90 -3.77 -0.18 3.14 -0.91 -4.96 118.33 109.98 3dby n VAL 57 Ca -0.03 -0.23 -0.08 0.00 -2.96 0.00 0.00 64.34 61.04 3dby n VAL 57 Cb 0.60 -1.11 -0.02 0.00 -1.06 0.00 0.00 33.84 32.25 3dby n VAL 57 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dby s ARG 58 N -0.37 1.65 0.00 1.45 1.70 -1.26 -5.04 118.95 117.08 3dby s ARG 58 Ca 0.71 -0.89 0.22 0.00 -0.47 0.00 0.00 55.73 55.30 3dby s ARG 58 Cb -0.77 0.59 1.29 0.00 -0.57 0.00 0.00 34.95 35.49 3dby s ARG 58 CO 0.51 -0.74 1.73 0.27 -1.08 0.00 0.00 175.30 175.98 3dby n ASN 59 N -0.43 0.00 -3.97 -2.89 6.94 -1.26 -4.66 115.26 108.99 3dby n ASN 59 Ca -0.07 -0.97 -0.31 0.00 -0.02 0.00 0.00 54.58 53.22 3dby n ASN 59 Cb 0.61 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.89 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3dby s VAL 60 N -2.00 2.71 0.00 3.53 -7.23 -1.26 -5.05 120.40 111.10 3dby s VAL 60 Ca 0.32 -3.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.23 3dby s VAL 60 Cb 0.15 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.22 3dby s VAL 60 CO 0.25 -0.80 0.00 0.18 -0.31 0.00 0.00 175.10 174.42 3dby n LEU 62 N 3.18 0.00 -0.15 1.32 4.77 -1.26 -4.89 117.00 119.97 3dby n LEU 62 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 3dby n LEU 62 Cb 0.33 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3dby n LEU 62 CO 0.34 -0.01 0.90 0.24 -1.33 0.00 0.00 177.39 177.52 3dby h MET 63 N 0.00 0.66 -0.38 3.23 2.86 -1.92 -1.17 114.93 118.21 3dby h MET 63 Ca 0.00 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 3dby h MET 63 Cb 0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3dby h MET 63 CO 0.00 0.65 -0.18 0.00 1.06 0.00 0.00 176.91 178.43 3dby h ALA 64 N 0.99 0.54 -0.84 6.32 0.00 -1.90 -2.82 119.26 121.55 3dby h ALA 64 Ca 0.14 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.78 3dby h ALA 64 Cb 0.26 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3dby h ALA 64 CO -0.01 0.48 0.55 0.35 0.00 0.00 0.00 179.25 180.62 3dby h PHE 65 N 0.60 0.87 -0.03 0.00 3.57 -1.87 -1.76 116.94 118.31 3dby h PHE 65 Ca 0.09 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3dby h PHE 65 Cb 0.74 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3dby h PHE 65 CO 0.06 0.40 -0.35 0.77 -2.23 0.00 0.00 178.31 176.96 3dby h SER 66 N 0.81 0.06 -0.16 0.41 0.02 -0.96 0.12 113.55 113.86 3dby h SER 66 Ca 0.39 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.18 3dby h SER 66 Cb 0.43 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3dby h SER 66 CO -0.16 0.41 -0.46 0.11 -1.14 0.00 0.00 176.83 175.59 3dby h LYS 67 N 0.05 0.59 -0.30 3.45 1.57 -1.22 -0.47 116.57 120.23 3dby h LYS 67 Ca 0.00 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3dby h LYS 67 Cb 0.65 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3dby h LYS 67 CO 0.05 1.04 0.18 1.49 -0.57 0.00 0.00 179.45 181.64 3dby h GLU 68 N 0.24 0.35 -0.60 3.15 4.81 -1.26 -2.34 114.58 118.93 3dby h GLU 68 Ca -0.01 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3dby h GLU 68 Cb 1.08 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 3dby h GLU 68 CO 0.10 0.23 0.21 0.00 -0.73 0.00 0.00 179.01 178.82 3dby h ALA 69 N 1.13 0.76 -0.00 2.92 0.00 -0.73 -2.59 119.26 120.75 3dby h ALA 69 Ca 0.12 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3dby h ALA 69 Cb -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3dby h ALA 69 CO -0.05 -0.21 -0.14 1.49 0.00 0.00 0.00 179.25 180.33 3dby h GLU 70 N 0.38 -0.22 -0.64 0.00 4.81 -0.81 -1.64 114.58 116.46 3dby h GLU 70 Ca 0.30 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.64 3dby h GLU 70 Cb 0.39 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 3dby h GLU 70 CO -0.32 -0.15 0.27 0.37 -0.73 0.00 0.00 179.01 178.46 3dby h GLN 71 N -0.23 0.46 -0.78 1.92 5.75 -1.33 0.90 115.11 121.80 3dby h GLN 71 Ca 0.05 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3dby h GLN 71 Cb 0.29 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 3dby h GLN 71 CO -0.14 0.30 0.38 0.00 -2.65 0.00 0.00 178.83 176.73 3dby h ALA 72 N 1.42 1.01 -0.33 3.38 0.00 -1.20 -1.98 119.26 121.57 3dby h ALA 72 Ca 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dby h ALA 72 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dby h ALA 72 CO -0.29 0.57 0.14 0.00 0.00 0.00 0.00 179.25 179.67 3dby h ALA 73 N 1.20 0.42 -0.45 0.00 0.00 -0.52 -1.14 119.26 118.76 3dby h ALA 73 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dby h ALA 73 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dby h ALA 73 CO -0.04 0.00 0.20 0.87 0.00 0.00 0.00 179.25 180.29 3dby h LYS 74 N 0.38 0.64 -0.12 0.00 1.57 -0.77 0.22 116.57 118.48 3dby h LYS 74 Ca 0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3dby h LYS 74 Cb 0.16 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3dby h LYS 74 CO -0.01 0.51 -0.02 0.93 -0.57 0.00 0.00 179.45 180.29 3dby h GLU 75 N 0.64 0.22 -0.21 3.15 5.08 -0.87 -1.89 114.58 120.70 3dby h GLU 75 Ca 0.16 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 3dby h GLU 75 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3dby h GLU 75 CO -0.02 0.50 -0.30 0.97 -1.00 0.00 0.00 179.01 179.16 3dby h ILE 76 N -0.08 1.27 -0.60 3.13 2.10 -1.06 -1.62 117.51 120.66 3dby h ILE 76 Ca 0.03 -1.33 0.10 0.00 1.08 0.00 0.00 64.86 64.75 3dby h ILE 76 Cb 0.41 1.44 -0.08 0.00 -1.09 0.00 0.00 36.82 37.51 3dby h ILE 76 CO 0.01 0.41 0.18 -0.09 -1.08 0.00 0.00 178.15 177.59 3dby h ARG 77 N 0.36 0.33 -0.45 2.19 2.43 -0.88 -1.04 114.38 117.31 3dby h ARG 77 Ca 0.05 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3dby h ARG 77 Cb 0.71 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3dby h ARG 77 CO 0.05 0.22 -0.05 0.00 -1.51 0.00 0.00 179.97 178.68 3dby h ALA 78 N 1.44 1.07 -0.14 2.80 0.00 -0.68 -2.07 119.26 121.67 3dby h ALA 78 Ca 0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 78 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dby h ALA 78 CO -0.34 0.58 0.08 0.35 0.00 0.00 0.00 179.25 179.91 3dby h PHE 79 N 0.71 0.20 -0.18 0.00 3.57 -0.87 0.76 116.94 121.12 3dby h PHE 79 Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3dby h PHE 79 Cb 0.51 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3dby h PHE 79 CO 0.03 0.20 0.08 0.87 -2.23 0.00 0.00 178.31 177.26 3dby h LYS 80 N 0.14 0.18 -0.22 1.11 1.57 -1.05 0.46 116.57 118.76 3dby h LYS 80 Ca 0.05 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3dby h LYS 80 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3dby h LYS 80 CO -0.01 0.12 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.73 3dby h LEU 81 N 0.19 0.37 -0.93 2.94 3.38 -1.24 -0.10 115.31 119.92 3dby h LEU 81 Ca 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3dby h LEU 81 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3dby h LEU 81 CO -0.05 0.58 0.27 -1.13 0.09 0.00 0.00 178.44 178.20 3dby h ASN 82 N 0.35 0.96 -0.32 -0.43 -1.24 -0.31 -0.09 115.58 114.51 3dby h ASN 82 Ca 0.06 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 56.88 3dby h ASN 82 Cb 0.54 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 3dby h ASN 82 CO 0.04 0.87 0.01 0.40 -1.29 0.00 0.00 177.43 177.45 3dby h ILE 83 N 1.02 1.26 -0.73 2.57 2.04 -0.09 -2.26 117.51 121.31 3dby h ILE 83 Ca 0.23 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3dby h ILE 83 Cb 0.21 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3dby h ILE 83 CO -0.02 0.31 0.44 0.40 0.00 0.00 0.00 178.15 179.28 3dby h ILE 84 N 0.37 1.06 -0.01 -0.67 2.04 -0.83 0.07 117.51 119.54 3dby h ILE 84 Ca 0.09 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3dby h ILE 84 Cb 0.43 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3dby h ILE 84 CO 0.02 0.15 -0.06 -0.61 0.00 0.00 0.00 178.15 177.65 3dby h GLN 85 N 0.85 -0.09 -0.43 2.37 4.15 -0.90 -0.26 115.11 120.79 3dby h GLN 85 Ca 0.30 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3dby h GLN 85 Cb 0.08 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3dby h GLN 85 CO -0.14 -0.06 0.28 0.87 -1.93 0.00 0.00 178.83 177.85 3dby h LYS 86 N -0.10 0.57 -0.55 1.69 1.57 -1.11 -2.32 116.57 116.33 3dby h LYS 86 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dby h LYS 86 Cb 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3dby h LYS 86 CO -0.07 0.39 0.35 1.96 -0.57 0.00 0.00 179.45 181.51 3dby h GLN 87 N 0.59 0.73 0.00 3.15 4.20 -0.11 0.39 115.11 124.06 3dby h GLN 87 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dby h GLN 87 Cb -0.05 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.57 3dby h GLN 87 CO -0.03 0.50 0.00 -0.07 -0.67 0.00 0.00 178.83 178.56 3dby h LEU 88 N 0.74 0.00 -2.31 1.46 3.38 -0.56 -2.60 115.31 115.42 3dby h LEU 88 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3dby h LEU 88 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3dby h LEU 88 CO -0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.87 3dby n GLU 89 N -2.65 2.00 -2.14 1.13 1.02 -0.93 -4.99 120.64 114.07 3dby n GLU 89 Ca 0.01 -1.77 -0.11 0.00 -0.02 0.00 0.00 57.16 55.27 3dby n GLU 89 Cb 0.26 -1.28 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.68 0.01 1.05 0.62 0.00 -0.24 -4.95 105.19 102.37 3dby n GLY 90 Ca 0.11 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.78 3dby n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dby n LYS 91 N -2.12 3.24 -3.67 1.61 5.02 0.12 -4.98 118.16 117.38 3dby n LYS 91 Ca -0.13 -2.65 -0.14 0.00 -2.02 0.00 0.00 58.31 53.36 3dby n LYS 91 Cb 0.58 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.08 0.01 -0.32 -0.18 2.07 -1.25 -4.93 121.20 114.52 3dby s ILE 92 Ca 0.40 -0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.47 3dby s ILE 92 Cb 0.28 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 42.11 3dby s ILE 92 CO 0.15 -0.05 0.11 -0.89 -1.91 0.00 0.00 174.94 172.34 3dby s THR 93 N -0.37 3.97 -0.07 4.00 2.01 -1.26 -4.82 115.64 119.11 3dby s THR 93 Ca -0.05 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 3dby s THR 93 Cb -0.03 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.35 3dby s THR 93 CO 0.04 -0.06 0.20 -0.51 -0.69 0.00 0.00 174.62 173.60 3dby s ILE 94 N 1.47 0.01 -0.25 1.82 2.07 -1.26 -2.20 121.20 122.86 3dby s ILE 94 Ca 0.01 -0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 3dby s ILE 94 Cb -0.18 -0.32 0.34 0.00 0.13 0.00 0.00 42.46 42.43 3dby s ILE 94 CO 0.03 -0.05 1.54 1.41 -1.91 0.00 0.00 174.94 175.96 3dby n HIS 95 N 2.75 1.61 -5.19 3.50 8.25 0.11 -4.78 115.22 121.46 3dby n HIS 95 Ca -0.14 -1.29 -0.30 0.00 -0.26 0.00 0.00 57.72 55.73 3dby n HIS 95 Cb 0.58 -0.65 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 3dby n HIS 95 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dby s PHE 96 N -1.75 2.25 0.67 4.41 2.99 -1.26 -5.04 117.98 120.24 3dby s PHE 96 Ca 0.30 -0.42 -0.11 0.00 0.00 0.00 0.00 56.93 56.70 3dby s PHE 96 Cb 0.25 -1.43 -0.01 0.00 0.00 0.00 0.00 43.02 41.83 3dby s PHE 96 CO 0.05 -0.01 1.05 0.95 -0.00 0.00 0.00 175.22 177.26 3dby s THR 97 N -0.63 4.17 0.50 0.64 -4.23 -1.26 -4.93 115.64 109.90 3dby s THR 97 Ca 0.10 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 61.53 3dby s THR 97 Cb -0.10 -3.51 0.33 0.00 1.34 0.00 0.00 72.50 70.57 3dby s THR 97 CO -0.00 -0.89 2.05 -0.65 -0.54 0.00 0.00 174.62 174.58 3dby h PRO 98 N -0.49 0.13 -0.19 3.99 0.11 -1.97 -2.38 132.00 131.19 3dby h PRO 98 Ca -0.44 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 3dby h PRO 98 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dby h PRO 98 CO 0.58 0.08 -0.63 1.15 -0.21 0.00 0.00 178.00 178.97 3dby h THR 99 N 0.13 1.30 -0.54 -1.15 2.02 -1.98 0.23 112.91 112.93 3dby h THR 99 Ca 0.17 -1.87 -0.07 0.00 0.77 0.00 0.00 66.41 65.41 3dby h THR 99 Cb 0.51 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 3dby h THR 99 CO -0.02 0.59 0.07 0.15 0.37 0.00 0.00 175.52 176.68 3dby h PHE 100 N 0.51 0.91 -0.02 3.16 3.57 -1.82 0.20 116.94 123.45 3dby h PHE 100 Ca -0.01 -0.11 -0.17 0.00 3.53 0.00 0.00 57.97 61.21 3dby h PHE 100 Cb 1.22 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3dby h PHE 100 CO 0.06 0.79 -0.77 0.82 -2.23 0.00 0.00 178.31 176.99 3dby h ILE 101 N 0.81 1.47 -0.67 1.41 2.04 -1.35 -2.41 117.51 118.82 3dby h ILE 101 Ca 0.17 -2.41 0.04 0.00 1.00 0.00 0.00 64.86 63.66 3dby h ILE 101 Cb 0.39 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 3dby h ILE 101 CO 0.01 0.70 0.44 -1.13 0.00 0.00 0.00 178.15 178.17 3dby h ASN 102 N 0.11 0.65 0.51 1.72 -1.24 0.93 -1.89 115.58 116.36 3dby h ASN 102 Ca -0.02 -0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.80 3dby h ASN 102 Cb 1.34 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 3dby h ASN 102 CO 0.11 0.44 -0.80 0.45 -1.29 0.00 0.00 177.43 176.34 3dby h HIS 103 N 0.75 0.31 -0.93 0.67 3.86 -0.36 -1.43 115.15 118.02 3dby h HIS 103 Ca 0.27 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3dby h HIS 103 Cb 0.14 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 3dby h HIS 103 CO -0.00 0.93 0.55 0.52 0.86 0.00 0.00 177.93 180.79 3dby h MET 104 N 0.14 1.27 -0.26 2.45 2.86 -0.91 -1.12 114.93 119.37 3dby h MET 104 Ca -0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3dby h MET 104 Cb 1.40 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 3dby h MET 104 CO 0.12 0.90 0.14 0.28 1.06 0.00 0.00 176.91 179.41 3dby h VAL 105 N 1.29 1.13 -0.73 -2.22 2.07 -1.10 -0.54 116.25 116.14 3dby h VAL 105 Ca 0.33 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.64 3dby h VAL 105 Cb -0.04 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 3dby h VAL 105 CO -0.06 0.12 0.31 0.78 0.02 0.00 0.00 177.57 178.74 3dby h ASN 106 N 0.30 0.31 -0.05 0.57 2.35 -0.86 -1.79 115.58 116.41 3dby h ASN 106 Ca 0.09 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3dby h ASN 106 Cb 0.08 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3dby h ASN 106 CO -0.01 0.14 0.01 -0.33 -1.65 0.00 0.00 177.43 175.59 3dby h GLU 107 N 0.47 0.08 -0.07 0.81 5.08 -1.00 -2.09 114.58 117.86 3dby h GLU 107 Ca 0.39 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3dby h GLU 107 Cb 0.56 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3dby h GLU 107 CO -0.37 0.29 0.03 -0.24 -1.00 0.00 0.00 179.01 177.73 3dby h VAL 108 N -0.14 1.03 0.00 3.13 3.04 -0.87 -1.47 116.25 120.97 3dby h VAL 108 Ca 0.02 -0.09 -0.07 0.00 -1.01 0.00 0.00 66.70 65.55 3dby h VAL 108 Cb 0.25 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 3dby h VAL 108 CO 0.00 0.03 -0.33 -0.33 -1.01 0.00 0.00 177.57 175.94 3dby h GLU 109 N 0.10 0.00 -0.28 4.17 5.08 -1.04 -0.68 114.58 121.93 3dby h GLU 109 Ca 0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 3dby h GLU 109 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3dby h GLU 109 CO -0.00 0.33 -0.55 0.93 -1.00 0.00 0.00 179.01 178.71 3dby h GLU 110 N 0.00 0.86 -0.49 2.33 4.39 -0.58 -2.11 114.58 118.97 3dby h GLU 110 Ca -0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3dby h GLU 110 Cb 0.87 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 3dby h GLU 110 CO 0.04 1.18 0.32 -0.92 -1.16 0.00 0.00 179.01 178.47 3dby h TYR 111 N 0.66 0.62 -0.35 4.33 3.20 -1.08 -1.92 116.97 122.43 3dby h TYR 111 Ca 0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3dby h TYR 111 Cb 1.16 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 3dby h TYR 111 CO 0.07 0.40 0.06 0.82 -1.64 0.00 0.00 178.16 177.87 3dby h ILE 112 N 0.66 1.17 -0.40 1.81 2.04 -1.05 0.27 117.51 122.02 3dby h ILE 112 Ca 0.18 -0.64 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 3dby h ILE 112 Cb -0.06 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3dby h ILE 112 CO -0.04 0.23 -0.23 0.00 0.00 0.00 0.00 178.15 178.11 3dby h ALA 113 N 1.57 0.84 -0.38 1.87 0.00 -0.95 -2.25 119.26 119.96 3dby h ALA 113 Ca 0.12 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3dby h ALA 113 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3dby h ALA 113 CO 0.00 0.64 -0.27 0.28 0.00 0.00 0.00 179.25 179.90 3dby h VAL 114 N 0.70 1.28 0.00 0.00 2.07 -0.55 -2.95 116.25 116.81 3dby h VAL 114 Ca 0.09 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 3dby h VAL 114 Cb 0.75 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3dby h VAL 114 CO 0.06 0.47 -0.02 -0.07 0.02 0.00 0.00 177.57 178.03 3dby h LEU 115 N 0.66 0.00 -0.22 2.57 3.38 -0.25 -1.30 115.31 120.14 3dby h LEU 115 Ca 0.07 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3dby h LEU 115 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3dby h LEU 115 CO 0.07 0.02 0.02 -0.08 0.09 0.00 0.00 178.44 178.56 3dby h GLU 116 N 0.00 0.09 0.14 1.13 4.81 -1.22 -1.06 114.58 118.47 3dby h GLU 116 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3dby h GLU 116 Cb 0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3dby h GLU 116 CO 0.00 0.06 -0.07 0.74 -0.73 0.00 0.00 179.01 179.01 3dby h PHE 117 N 0.09 -0.18 -0.96 0.92 0.04 -1.54 -3.32 116.94 111.99 3dby h PHE 117 Ca 0.10 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.92 3dby h PHE 117 Cb 0.12 0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.27 3dby h PHE 117 CO -0.17 0.13 0.63 -0.07 -0.60 0.00 0.00 178.31 178.23 3dby h LEU 118 N -0.50 1.01 0.00 1.54 3.38 -0.98 -0.94 115.31 118.83 3dby h LEU 118 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dby h LEU 118 Cb 0.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3dby h LEU 118 CO 0.03 0.67 0.00 2.29 0.09 0.00 0.00 178.44 181.52 3dby n LYS 119 N -4.47 0.14 0.00 1.13 2.85 -0.42 -1.78 118.16 115.60 3dby n LYS 119 Ca 0.14 0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 3dby n LYS 119 Cb 0.15 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.41 1.24 -1.06 -1.58 5.02 -0.42 -4.89 118.16 115.06 3dby n LYS 120 Ca 0.08 -0.84 -0.02 0.00 -2.02 0.00 0.00 58.31 55.51 3dby n LYS 120 Cb 0.25 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.32 0.54 3.89 0.72 0.00 -0.74 -5.05 105.19 105.87 3dby n GLY 121 Ca 0.13 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.14 3.57 0.04 1.61 2.02 -0.83 -4.96 118.70 118.01 3dby s GLU 122 Ca 0.00 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 3dby s GLU 122 Cb 0.00 -3.08 -0.08 0.00 0.10 0.00 0.00 34.13 31.08 3dby s GLU 122 CO 0.00 0.65 1.66 0.08 0.02 0.00 0.00 175.26 177.67 3dby s VAL 123 N -1.31 3.16 0.21 2.63 1.01 -1.26 -3.85 120.40 120.99 3dby s VAL 123 Ca 0.28 0.52 -0.31 0.00 0.00 0.00 0.00 61.98 62.46 3dby s VAL 123 Cb -0.13 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 3dby s VAL 123 CO 0.16 -0.01 1.65 -2.84 0.00 0.00 0.00 175.10 174.06 3dby s PRO 124 N 3.00 4.15 0.82 2.72 0.02 -1.26 -4.98 135.00 139.48 3dby s PRO 124 Ca 0.74 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 64.18 3dby s PRO 124 Cb -0.38 -3.09 0.09 0.00 0.02 0.00 0.00 34.50 31.14 3dby s PRO 124 CO 0.32 -0.68 1.10 -1.25 -0.33 0.00 0.00 177.00 176.16 3dby s PRO 125 N 0.81 1.84 -0.33 5.54 0.04 -1.26 -5.00 135.00 136.65 3dby s PRO 125 Ca 0.71 1.16 -0.27 0.00 0.04 0.00 0.00 61.00 62.64 3dby s PRO 125 Cb -0.48 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3dby s PRO 125 CO 0.35 -1.94 0.98 0.08 0.04 0.00 0.00 177.00 176.51 3dby s VAL 126 N -2.86 4.59 1.10 -0.36 1.01 -1.26 -5.05 120.40 117.57 3dby s VAL 126 Ca 0.62 1.50 -0.16 0.00 0.00 0.00 0.00 61.98 63.94 3dby s VAL 126 Cb -0.18 -4.34 0.24 0.00 0.00 0.00 0.00 36.38 32.10 3dby s VAL 126 CO 0.57 -0.44 1.10 -0.36 0.00 0.00 0.00 175.10 175.97 3dby s PHE 127 N 3.45 1.32 0.54 5.22 0.08 -1.26 -4.96 117.98 122.37 3dby s PHE 127 Ca 0.41 0.74 -0.22 0.00 0.12 0.00 0.00 56.93 57.98 3dby s PHE 127 Cb -0.13 -3.36 -0.05 0.00 -0.57 0.00 0.00 43.02 38.92 3dby s PHE 127 CO 0.15 -3.41 1.32 1.58 -0.10 0.00 0.00 175.22 174.77 3dby n HIS 128 N -4.48 2.17 0.11 0.36 -0.00 -1.26 -4.75 115.22 107.37 3dby n HIS 128 Ca 0.09 0.44 0.05 0.00 -0.00 0.00 0.00 57.72 58.29 3dby n HIS 128 Cb 0.58 -2.35 0.49 0.00 -0.00 0.00 0.00 29.99 28.72 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 1.41 0.31 0.00 1.57 4.11 -1.92 -0.84 114.58 119.21 3dby h GLU 129 Ca -0.50 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 58.89 3dby h GLU 129 Cb 1.31 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3dby h GLU 129 CO 0.57 0.24 -0.07 -0.07 0.07 0.00 0.00 179.01 179.76 3dby h LEU 130 N 0.31 0.00 -0.44 3.06 3.38 -1.98 -1.93 115.31 117.72 3dby h LEU 130 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dby h LEU 130 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dby h LEU 130 CO -0.01 0.07 0.21 -0.74 0.09 0.00 0.00 178.44 178.05 3dby h HIS 131 N 0.00 0.64 -0.55 1.13 2.76 -1.50 -1.79 115.15 115.84 3dby h HIS 131 Ca -0.00 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 3dby h HIS 131 Cb 0.15 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3dby h HIS 131 CO 0.00 0.52 0.15 1.88 -1.30 0.00 0.00 177.93 179.18 3dby h TYR 132 N 0.57 0.92 -0.29 5.26 0.05 -1.47 -2.82 116.97 119.19 3dby h TYR 132 Ca 0.15 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3dby h TYR 132 Cb 0.13 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3dby h TYR 132 CO -0.01 0.79 0.18 0.45 -1.05 0.00 0.00 178.16 178.53 3dby h HIS 133 N 0.78 0.36 0.00 4.88 3.86 -1.21 0.15 115.15 123.98 3dby h HIS 133 Ca 0.17 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3dby h HIS 133 Cb 0.33 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 3dby h HIS 133 CO 0.02 0.24 -0.01 -0.07 0.86 0.00 0.00 177.93 178.98 3dby h LEU 134 N 0.38 0.00 0.03 2.43 3.38 -1.21 -1.83 115.31 118.49 3dby h LEU 134 Ca 0.10 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.77 3dby h LEU 134 Cb -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3dby h LEU 134 CO -0.02 0.01 -1.69 0.52 0.09 0.00 0.00 178.44 177.35 3dby n VAL 135 N -3.73 1.60 0.64 1.22 0.31 -0.98 -4.68 118.33 112.71 3dby n VAL 135 Ca -0.03 -0.26 0.11 0.00 -0.01 0.00 0.00 64.34 64.15 3dby n VAL 135 Cb 0.09 -1.91 0.02 0.00 -0.91 0.00 0.00 33.84 31.13 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 -4.11 0.21 -0.02 3.52 7.02 0.50 -3.45 117.44 121.11 3dby n TRP 136 Ca -0.36 0.06 -0.15 0.00 -1.02 0.00 0.00 57.50 56.03 3dby n TRP 136 Cb 0.82 -0.37 -0.11 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.31 -1.11 -0.99 3.38 -1.52 0.33 115.31 115.71 3dby h LEU 137 Ca 0.00 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 3dby h LEU 137 Cb 0.69 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3dby h LEU 137 CO 0.00 0.99 0.31 0.71 0.09 0.00 0.00 178.44 180.54 3dby h THR 138 N -0.35 1.21 -0.72 0.22 1.35 -1.79 -1.59 112.91 111.24 3dby h THR 138 Ca -0.03 -0.61 0.05 0.00 -0.55 0.00 0.00 66.41 65.27 3dby h THR 138 Cb 1.02 0.38 -0.05 0.00 -1.73 0.00 0.00 68.15 67.77 3dby h THR 138 CO 0.06 0.25 0.43 -0.78 -0.25 0.00 0.00 175.52 175.24 3dby h ASP 139 N 0.93 0.67 -0.32 5.36 3.58 -1.55 -0.08 116.42 125.01 3dby h ASP 139 Ca 0.23 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.61 3dby h ASP 139 Cb 0.10 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3dby h ASP 139 CO -0.03 0.44 -0.12 0.00 -2.88 0.00 0.00 179.24 176.65 3dby h ALA 140 N 1.34 0.44 -0.41 -0.78 0.00 -0.59 -0.82 119.26 118.45 3dby h ALA 140 Ca 0.31 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dby h ALA 140 Cb 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3dby h ALA 140 CO -0.15 0.32 0.13 0.00 0.00 0.00 0.00 179.25 179.54 3dby h ALA 141 N 0.78 0.47 -0.46 0.00 0.00 -1.10 0.79 119.26 119.75 3dby h ALA 141 Ca 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dby h ALA 141 Cb 0.64 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3dby h ALA 141 CO 0.04 -0.27 0.18 0.78 0.00 0.00 0.00 179.25 179.98 3dby h GLY 142 N 0.28 0.70 0.94 0.00 0.00 -0.91 0.46 103.07 104.53 3dby h GLY 142 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3dby h GLY 142 CO -0.21 0.33 -0.24 0.45 0.00 0.00 0.00 176.54 176.87 3dby h HIS 143 N 0.65 -0.61 -0.65 5.60 3.86 -0.21 -0.46 115.15 123.32 3dby h HIS 143 Ca 0.16 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3dby h HIS 143 Cb 0.14 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 3dby h HIS 143 CO 0.01 -0.34 0.43 0.00 0.86 0.00 0.00 177.93 178.88 3dby h ALA 144 N -0.25 0.82 -0.61 2.45 0.00 -0.61 -2.39 119.26 118.67 3dby h ALA 144 Ca -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dby h ALA 144 Cb 0.54 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3dby h ALA 144 CO 0.11 0.26 0.41 0.78 0.00 0.00 0.00 179.25 180.80 3dby h GLY 145 N 0.88 0.76 1.52 0.00 0.00 0.00 -1.80 103.07 104.43 3dby h GLY 145 Ca 0.24 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 3dby h GLY 145 CO -0.05 0.19 -0.73 1.76 0.00 0.00 0.00 176.54 177.71 3dby h SER 146 N 0.62 0.56 0.25 0.19 0.02 -0.64 -1.24 113.55 113.31 3dby h SER 146 Ca 0.26 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3dby h SER 146 Cb 0.25 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3dby h SER 146 CO -0.08 1.11 -0.13 0.40 -1.14 0.00 0.00 176.83 177.00 3dby h ILE 147 N 0.32 0.74 -0.29 3.27 2.04 -0.96 0.16 117.51 122.80 3dby h ILE 147 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3dby h ILE 147 Cb 1.31 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3dby h ILE 147 CO 0.13 0.00 -0.20 -1.28 0.00 0.00 0.00 178.15 176.80 3dby h SER 148 N -0.35 -0.65 0.71 1.72 0.87 -1.22 -0.67 113.55 113.96 3dby h SER 148 Ca -0.03 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3dby h SER 148 Cb 0.27 0.33 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3dby h SER 148 CO 0.05 -0.23 -0.03 1.23 -0.53 0.00 0.00 176.83 177.32 3dby h GLY 149 N -0.17 0.00 0.15 5.77 0.00 -1.01 -3.11 103.07 104.71 3dby h GLY 149 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3dby h GLY 149 CO -0.39 0.00 -0.55 0.61 0.00 0.00 0.00 176.54 176.21 3dby n GLY 150 N -0.29 -0.76 3.82 4.60 0.00 0.55 -4.92 105.19 108.20 3dby n GLY 150 Ca -0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.76 4.20 0.53 0.99 1.43 -0.81 -0.82 118.68 121.43 3dby s LEU 151 Ca 0.15 1.50 -0.20 0.00 -1.03 0.00 0.00 54.13 54.55 3dby s LEU 151 Cb 0.18 -3.96 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 3dby s LEU 151 CO 0.67 -0.12 0.82 -0.67 0.23 0.00 0.00 176.35 177.28 3dby n ASP 152 N 0.16 0.27 -0.39 2.29 2.03 -0.24 -4.85 116.55 115.81 3dby n ASP 152 Ca 0.02 0.85 0.31 0.00 0.52 0.00 0.00 54.79 56.49 3dby n ASP 152 Cb 0.52 -1.30 0.58 0.00 -0.72 0.00 0.00 41.12 40.20 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 0.71 0.34 -0.10 -2.67 5.85 -1.96 -1.59 115.31 115.91 3dby h LEU 153 Ca -0.46 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3dby h LEU 153 Cb 1.37 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.51 3dby h LEU 153 CO 0.51 -0.13 -0.07 1.33 -0.34 0.00 0.00 178.44 179.74 3dby n VAL 154 N -4.78 0.00 -1.68 1.05 0.24 -1.26 -4.38 118.33 107.51 3dby n VAL 154 Ca 0.34 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 62.23 3dby n VAL 154 Cb 1.22 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 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 -1.18 4.08 0.03 7.34 -0.58 -0.60 -4.75 120.64 124.99 3dby n GLU 155 Ca 0.13 -2.85 -0.12 0.00 -0.42 0.00 0.00 57.16 53.90 3dby n GLU 155 Cb 0.27 -2.65 -0.08 0.00 -0.57 0.00 0.00 31.44 28.41 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 4.63 -0.03 -0.74 3.49 1.79 -1.84 -0.65 116.57 123.23 3dby h LYS 156 Ca 0.74 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 59.28 3dby h LYS 156 Cb 0.35 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 3dby h LYS 156 CO 1.53 0.15 0.42 0.00 -1.08 0.00 0.00 179.45 180.46 3dby h ARG 157 N -0.20 0.73 -0.33 3.15 2.47 -1.98 0.12 114.38 118.35 3dby h ARG 157 Ca -0.00 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 3dby h ARG 157 Cb 0.19 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3dby h ARG 157 CO 0.00 0.48 -0.31 -0.07 0.56 0.00 0.00 179.97 180.64 3dby h LEU 158 N 0.75 0.72 -0.42 3.04 3.38 -1.90 -2.25 115.31 118.63 3dby h LEU 158 Ca 0.34 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3dby h LEU 158 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dby h LEU 158 CO -0.20 0.98 0.03 0.11 0.09 0.00 0.00 178.44 179.44 3dby h LYS 159 N 0.59 0.73 -0.93 1.13 1.57 -0.73 -1.55 116.57 117.37 3dby h LYS 159 Ca 0.07 -0.22 0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3dby h LYS 159 Cb 0.81 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.99 3dby h LYS 159 CO 0.07 0.79 0.61 0.93 -0.57 0.00 0.00 179.45 181.27 3dby h GLU 160 N 0.57 1.03 -0.03 3.15 5.08 -0.61 0.47 114.58 124.24 3dby h GLU 160 Ca 0.12 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3dby h GLU 160 Cb 0.44 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3dby h GLU 160 CO 0.02 0.68 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.47 3dby h LYS 161 N 1.06 0.07 -0.01 2.33 1.63 -1.09 -1.19 116.57 119.37 3dby h LYS 161 Ca 0.40 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 60.08 3dby h LYS 161 Cb 0.20 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 3dby h LYS 161 CO -0.16 0.49 -0.44 0.66 -3.45 0.00 0.00 179.45 176.55 3dby h SER 162 N -0.36 0.01 -0.60 4.20 4.64 -1.00 -1.41 113.55 119.04 3dby h SER 162 Ca 0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3dby h SER 162 Cb 0.47 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 3dby h SER 162 CO 0.01 0.45 0.33 -0.33 -0.87 0.00 0.00 176.83 176.42 3dby h GLU 163 N 0.01 0.86 -0.49 4.77 5.08 -0.80 -0.78 114.58 123.23 3dby h GLU 163 Ca -0.00 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3dby h GLU 163 Cb 0.79 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3dby h GLU 163 CO 0.06 0.64 -0.03 1.49 -1.00 0.00 0.00 179.01 180.17 3dby h GLU 164 N 0.87 0.89 -0.39 2.33 4.81 -0.17 -2.14 114.58 120.77 3dby h GLU 164 Ca 0.22 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3dby h GLU 164 Cb 0.04 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3dby h GLU 164 CO -0.03 0.94 0.19 0.74 -0.73 0.00 0.00 179.01 180.12 3dby h PHE 165 N 0.75 0.56 -0.49 0.92 0.04 -1.12 -1.14 116.94 116.47 3dby h PHE 165 Ca 0.14 -0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.98 3dby h PHE 165 Cb 0.55 -0.18 -0.10 0.00 2.20 0.00 0.00 35.95 38.43 3dby h PHE 165 CO 0.04 0.47 -0.22 1.15 -0.60 0.00 0.00 178.31 179.14 3dby h THR 166 N 0.50 0.34 0.09 -1.55 2.02 -1.06 -1.04 112.91 112.20 3dby h THR 166 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3dby h THR 166 Cb 0.11 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3dby h THR 166 CO -0.02 0.00 -0.09 0.50 0.37 0.00 0.00 175.52 176.28 3dby h LYS 167 N -0.12 -0.19 -0.71 6.66 3.64 -1.32 -0.79 116.57 123.74 3dby h LYS 167 Ca 0.23 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.75 3dby h LYS 167 Cb 0.47 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 3dby h LYS 167 CO -0.56 -0.13 0.26 0.45 -2.27 0.00 0.00 179.45 177.20 3dby h HIS 168 N -0.20 0.44 -0.25 1.91 3.86 -0.88 -0.52 115.15 119.51 3dby h HIS 168 Ca 0.01 0.04 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 3dby h HIS 168 Cb 0.20 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 3dby h HIS 168 CO -0.11 0.05 -0.54 0.74 0.86 0.00 0.00 177.93 178.93 3dby h PHE 169 N 0.41 0.92 -0.54 2.45 0.04 -1.02 -0.50 116.94 118.69 3dby h PHE 169 Ca 0.38 -0.32 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3dby h PHE 169 Cb 0.56 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 3dby h PHE 169 CO -0.18 1.11 0.33 0.93 -0.60 0.00 0.00 178.31 179.90 3dby h GLU 170 N 0.57 0.64 -0.61 1.51 5.08 -0.95 0.48 114.58 121.30 3dby h GLU 170 Ca 0.01 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3dby h GLU 170 Cb 1.11 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3dby h GLU 170 CO 0.11 0.43 0.08 1.96 -1.00 0.00 0.00 179.01 180.59 3dby h GLN 171 N 0.66 1.00 -0.74 2.33 4.20 -0.88 -1.96 115.11 119.73 3dby h GLN 171 Ca 0.21 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3dby h GLN 171 Cb 0.00 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3dby h GLN 171 CO -0.09 0.93 0.29 0.74 -0.67 0.00 0.00 178.83 180.03 3dby h PHE 172 N 0.94 1.13 -0.26 2.96 0.04 -0.85 -2.46 116.94 118.43 3dby h PHE 172 Ca 0.19 -0.09 0.05 0.00 2.80 0.00 0.00 57.97 60.92 3dby h PHE 172 Cb 0.43 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 3dby h PHE 172 CO 0.03 0.87 -0.05 -0.92 -0.60 0.00 0.00 178.31 177.64 3dby h TYR 173 N 1.07 -0.10 -0.79 -0.55 3.20 -0.50 0.12 116.97 119.42 3dby h TYR 173 Ca 0.24 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.15 3dby h TYR 173 Cb 0.23 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 3dby h TYR 173 CO 0.02 -0.09 0.52 -0.07 -1.64 0.00 0.00 178.16 176.90 3dby h LEU 174 N 0.02 0.90 -0.60 2.82 3.38 -1.11 -0.24 115.31 120.49 3dby h LEU 174 Ca 0.13 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3dby h LEU 174 Cb 0.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3dby h LEU 174 CO -0.25 0.65 0.35 0.50 0.09 0.00 0.00 178.44 179.78 3dby h LYS 175 N 1.06 0.66 -0.78 1.13 3.64 -1.03 -2.09 116.57 119.17 3dby h LYS 175 Ca 0.29 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3dby h LYS 175 Cb -0.12 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 3dby h LYS 175 CO -0.06 0.44 0.32 0.00 -2.27 0.00 0.00 179.45 177.87 3dby h ALA 176 N 1.28 1.01 -0.40 5.00 0.00 0.19 -0.75 119.26 125.59 3dby h ALA 176 Ca 0.25 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3dby h ALA 176 Cb 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3dby h ALA 176 CO -0.12 0.63 0.15 0.28 0.00 0.00 0.00 179.25 180.19 3dby h VAL 177 N 1.13 0.89 -0.22 0.00 2.07 -0.73 -1.08 116.25 118.31 3dby h VAL 177 Ca 0.26 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.57 3dby h VAL 177 Cb 0.21 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3dby h VAL 177 CO -0.02 0.06 -0.27 -0.33 0.02 0.00 0.00 177.57 177.03 3dby h GLU 178 N 0.32 0.56 -0.44 1.57 4.39 -1.16 -2.84 114.58 116.98 3dby h GLU 178 Ca 0.19 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.60 3dby h GLU 178 Cb 0.16 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3dby h GLU 178 CO -0.18 0.91 0.29 0.52 -1.16 0.00 0.00 179.01 179.39 3dby h MET 179 N 0.25 0.45 -0.77 2.33 2.86 -0.89 -0.03 114.93 119.14 3dby h MET 179 Ca 0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dby h MET 179 Cb 0.84 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 3dby h MET 179 CO 0.06 0.30 0.47 1.15 1.06 0.00 0.00 176.91 179.95 3dby h THR 180 N 0.47 1.22 -0.80 2.22 2.02 -1.11 -2.52 112.91 114.39 3dby h THR 180 Ca 0.18 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 66.98 3dby h THR 180 Cb 0.13 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.61 3dby h THR 180 CO -0.04 0.22 0.45 1.23 0.37 0.00 0.00 175.52 177.75 3dby h GLY 181 N 1.05 1.23 1.16 2.16 0.00 -0.78 -2.51 103.07 105.38 3dby h GLY 181 Ca 0.28 -0.30 0.12 0.00 0.00 0.00 0.00 47.33 47.42 3dby h GLY 181 CO -0.05 0.13 0.31 -0.97 0.00 0.00 0.00 176.54 175.95 3dby h TYR 182 N 0.77 0.00 0.00 5.60 0.05 -0.94 -2.02 116.97 120.42 3dby h TYR 182 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 3dby h TYR 182 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 3dby h TYR 182 CO -0.07 0.00 0.04 -0.07 -1.05 0.00 0.00 178.16 177.02 3dby h LEU 183 N 0.00 0.00 -1.04 3.88 3.38 -1.27 -1.08 115.31 119.19 3dby h LEU 183 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3dby h LEU 183 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3dby h LEU 183 CO -0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 3dby h ARG 184 N 0.00 0.00 0.00 1.13 3.08 -1.53 -0.73 114.38 116.33 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 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 -2.47 1.20 -0.76 2.04 -2.24 -0.41 -4.87 114.28 106.78 3dby n THR 185 Ca 0.01 0.53 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 3dby n THR 185 Cb 0.22 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 -2.02 -0.11 -2.84 -0.78 1.02 -0.28 -4.98 120.64 110.65 3dby n GLU 186 Ca 0.00 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 3dby n GLU 186 Cb 0.08 -3.60 -0.04 0.00 -0.02 0.00 0.00 31.44 27.86 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 4.04 0.03 -4.62 2.96 -1.26 -4.93 118.68 114.89 3dby s LEU 187 Ca 0.00 0.06 0.22 0.00 -0.22 0.00 0.00 54.13 54.19 3dby s LEU 187 Cb 0.00 -3.15 -0.09 0.00 0.50 0.00 0.00 46.19 43.45 3dby s LEU 187 CO 0.00 -1.05 0.89 1.41 -1.32 0.00 0.00 176.35 176.28 3dby n HIS 188 N 7.13 0.17 -3.86 5.38 8.25 -1.26 -4.54 115.22 126.49 3dby n HIS 188 Ca 0.05 0.05 -0.15 0.00 -0.26 0.00 0.00 57.72 57.42 3dby n HIS 188 Cb 0.48 -0.37 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.23 0.13 0.12 4.41 3.76 -1.26 -5.04 115.29 114.18 3dby s HIS 189 Ca 0.02 0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 54.77 3dby s HIS 189 Cb 0.14 -0.23 0.05 0.00 1.11 0.00 0.00 32.58 33.65 3dby s HIS 189 CO 0.84 -0.07 0.52 -0.59 -0.85 0.00 0.00 174.74 174.58 3dby s PHE 190 N 0.73 -0.41 0.49 1.40 -0.12 -1.26 -5.07 117.98 113.75 3dby s PHE 190 Ca -0.07 0.24 0.18 0.00 -0.05 0.00 0.00 56.93 57.23 3dby s PHE 190 Cb -0.09 0.41 1.26 0.00 -0.63 0.00 0.00 43.02 43.96 3dby s PHE 190 CO -0.02 -0.75 2.09 -1.35 -0.05 0.00 0.00 175.22 175.15 3dby h PRO 191 N 2.32 0.00 0.00 1.99 0.11 -2.00 -2.04 132.00 132.38 3dby h PRO 191 Ca -0.33 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 3dby h PRO 191 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3dby h PRO 191 CO 0.42 0.09 -0.52 0.00 -0.21 0.00 0.00 178.00 177.77 3dby h ALA 192 N 1.91 1.06 -0.04 -0.75 0.00 -1.99 -2.31 119.26 117.15 3dby h ALA 192 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3dby h ALA 192 Cb 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dby h ALA 192 CO 0.01 0.65 -0.35 1.25 0.00 0.00 0.00 179.25 180.81 3dby h LEU 193 N 0.00 0.37 -0.73 0.00 5.85 -1.80 -1.40 115.31 117.60 3dby h LEU 193 Ca -0.01 -0.70 0.05 0.00 0.84 0.00 0.00 57.88 58.06 3dby h LEU 193 Cb 0.97 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 3dby h LEU 193 CO 0.07 1.02 0.45 0.11 -0.34 0.00 0.00 178.44 179.74 3dby h LYS 194 N -0.25 0.82 -0.21 1.25 1.79 -1.50 -1.41 116.57 117.07 3dby h LYS 194 Ca -0.03 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3dby h LYS 194 Cb 1.04 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 3dby h LYS 194 CO 0.07 0.54 0.08 -0.22 -1.08 0.00 0.00 179.45 178.84 3dby h LYS 195 N 0.84 0.32 -0.54 3.15 1.63 -1.46 -2.07 116.57 118.44 3dby h LYS 195 Ca 0.31 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.11 3dby h LYS 195 Cb 0.10 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.59 3dby h LYS 195 CO -0.14 0.39 -0.53 0.35 -3.45 0.00 0.00 179.45 176.07 3dby h PHE 196 N 0.18 -1.62 -0.46 1.91 3.57 -1.08 0.62 116.94 120.06 3dby h PHE 196 Ca 0.07 0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3dby h PHE 196 Cb 0.20 0.78 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 3dby h PHE 196 CO -0.01 -0.46 0.31 1.15 -2.23 0.00 0.00 178.31 177.07 3dby h THR 197 N -0.29 1.02 -0.11 4.41 2.02 -1.14 0.34 112.91 119.16 3dby h THR 197 Ca 0.12 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 3dby h THR 197 Cb 0.56 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3dby h THR 197 CO -0.67 0.09 -0.09 0.50 0.37 0.00 0.00 175.52 175.72 3dby h LYS 198 N 0.48 0.25 -0.61 6.66 3.64 -0.72 -1.06 116.57 125.20 3dby h LYS 198 Ca 0.19 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3dby h LYS 198 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3dby h LYS 198 CO -0.05 0.64 0.36 -0.44 -2.27 0.00 0.00 179.45 177.69 3dby h ASP 199 N -0.15 0.57 -0.75 4.20 3.32 -0.04 -2.03 116.42 121.54 3dby h ASP 199 Ca 0.02 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3dby h ASP 199 Cb 0.59 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3dby h ASP 199 CO 0.02 0.39 0.49 0.58 -1.72 0.00 0.00 179.24 179.00 3dby h VAL 200 N 0.70 1.15 -0.52 -1.35 2.07 -0.96 -2.44 116.25 114.90 3dby h VAL 200 Ca 0.25 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3dby h VAL 200 Cb 0.06 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 3dby h VAL 200 CO -0.12 0.18 0.09 0.28 0.02 0.00 0.00 177.57 178.02 3dby h SER 201 N 0.98 0.82 -0.65 0.57 0.02 -0.63 -0.79 113.55 113.87 3dby h SER 201 Ca 0.29 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 3dby h SER 201 Cb -0.06 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.20 3dby h SER 201 CO -0.08 0.87 0.33 0.25 -1.14 0.00 0.00 176.83 177.05 3dby h LEU 202 N 0.75 0.45 -0.98 5.07 5.85 -1.33 -0.17 115.31 124.95 3dby h LEU 202 Ca 0.16 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3dby h LEU 202 Cb 0.39 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3dby h LEU 202 CO 0.01 0.28 0.14 -0.08 -0.34 0.00 0.00 178.44 178.45 3dby h GLU 203 N 0.59 0.88 -0.41 1.25 4.57 -0.91 -1.16 114.58 119.38 3dby h GLU 203 Ca 0.30 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 3dby h GLU 203 Cb 0.26 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3dby h GLU 203 CO -0.22 0.79 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.18 3dby h LEU 204 N 0.85 0.76 0.04 1.64 3.38 -0.91 0.89 115.31 121.97 3dby h LEU 204 Ca 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3dby h LEU 204 Cb 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dby h LEU 204 CO -0.00 0.92 -0.03 0.11 0.09 0.00 0.00 178.44 179.53 3dby h LYS 205 N 0.69 -0.08 -0.99 1.13 6.56 -0.56 -0.16 116.57 123.15 3dby h LYS 205 Ca 0.11 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.74 3dby h LYS 205 Cb 0.64 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.26 3dby h LYS 205 CO 0.04 -0.05 0.65 -0.07 -2.06 0.00 0.00 179.45 177.96 3dby h LEU 206 N -0.08 1.08 -0.59 2.94 3.38 -1.10 -2.65 115.31 118.29 3dby h LEU 206 Ca -0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3dby h LEU 206 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3dby h LEU 206 CO -0.00 0.74 -0.23 0.15 0.09 0.00 0.00 178.44 179.19 3dby h PHE 207 N 1.26 1.01 -0.66 1.13 3.57 -0.72 -2.05 116.94 120.48 3dby h PHE 207 Ca 0.40 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3dby h PHE 207 Cb 0.00 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 3dby h PHE 207 CO -0.00 1.02 0.41 0.77 -2.23 0.00 0.00 178.31 178.27 3dby h SER 208 N 0.76 0.78 -0.69 0.41 0.02 -0.87 0.19 113.55 114.16 3dby h SER 208 Ca 0.10 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3dby h SER 208 Cb 0.78 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 3dby h SER 208 CO 0.06 0.61 0.38 0.45 -1.14 0.00 0.00 176.83 177.19 3dby h HIS 209 N 0.90 0.70 -0.67 3.45 3.86 -1.31 -0.91 115.15 121.17 3dby h HIS 209 Ca 0.24 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.43 3dby h HIS 209 Cb -0.04 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 3dby h HIS 209 CO -0.02 0.33 0.24 0.35 0.86 0.00 0.00 177.93 179.68 3dby h PHE 210 N 0.70 1.04 -0.59 2.45 3.57 -0.54 -1.90 116.94 121.67 3dby h PHE 210 Ca 0.31 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 3dby h PHE 210 Cb 0.21 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3dby h PHE 210 CO -0.08 0.83 0.06 -0.07 -2.23 0.00 0.00 178.31 176.82 3dby h LEU 211 N 0.95 0.94 -0.75 0.59 3.38 -0.30 -0.93 115.31 119.19 3dby h LEU 211 Ca 0.22 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3dby h LEU 211 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3dby h LEU 211 CO -0.01 0.96 -0.24 0.45 0.09 0.00 0.00 178.44 179.69 3dby h HIS 212 N 0.91 0.79 -0.54 1.13 3.86 -1.04 -0.75 115.15 119.50 3dby h HIS 212 Ca 0.18 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3dby h HIS 212 Cb 0.45 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3dby h HIS 212 CO 0.03 0.87 0.27 0.93 0.86 0.00 0.00 177.93 180.89 3dby h GLU 213 N 0.60 0.77 -0.47 2.45 5.08 -1.06 -1.46 114.58 120.49 3dby h GLU 213 Ca 0.08 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3dby h GLU 213 Cb 0.73 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3dby h GLU 213 CO 0.06 0.62 -0.23 0.28 -1.00 0.00 0.00 179.01 178.74 3dby h VAL 214 N 0.73 1.27 -0.91 3.13 2.07 -1.06 -0.23 116.25 121.24 3dby h VAL 214 Ca 0.19 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.36 3dby h VAL 214 Cb 0.09 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3dby h VAL 214 CO -0.03 0.48 0.58 -0.08 0.02 0.00 0.00 177.57 178.55 3dby h GLU 215 N 0.84 1.06 -0.06 1.57 4.81 -0.96 0.28 114.58 122.12 3dby h GLU 215 Ca 0.11 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 3dby h GLU 215 Cb 0.81 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3dby h GLU 215 CO 0.07 0.70 -0.71 0.93 -0.73 0.00 0.00 179.01 179.27 3dby h GLU 216 N 1.09 0.29 -0.39 1.92 5.08 -0.91 -0.15 114.58 121.51 3dby h GLU 216 Ca 0.38 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 3dby h GLU 216 Cb 0.10 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3dby h GLU 216 CO -0.15 0.88 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.47 3dby h LEU 217 N 0.20 0.85 -0.67 1.33 3.38 -0.37 -2.09 115.31 117.93 3dby h LEU 217 Ca -0.02 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 3dby h LEU 217 Cb 1.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3dby h LEU 217 CO 0.11 1.07 0.34 -0.33 0.09 0.00 0.00 178.44 179.72 3dby h GLU 218 N 0.63 0.96 -0.01 1.13 4.39 -0.16 0.16 114.58 121.69 3dby h GLU 218 Ca 0.09 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 3dby h GLU 218 Cb 0.75 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3dby h GLU 218 CO 0.06 0.75 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.34 3dby h LEU 219 N 0.93 0.01 -1.20 1.33 3.38 -0.95 -2.58 115.31 116.24 3dby h LEU 219 Ca 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3dby h LEU 219 Cb 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dby h LEU 219 CO -0.03 0.27 -0.24 -1.54 0.09 0.00 0.00 178.44 176.99 3dby n SER 220 N -4.23 2.10 -1.62 -0.43 3.41 -0.80 -4.94 113.62 107.11 3dby n SER 220 Ca -0.02 -1.56 -0.15 0.00 -0.26 0.00 0.00 58.87 56.87 3dby n SER 220 Cb 0.31 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.32 -4.70 -0.03 4.04 3.02 -0.60 -4.89 115.26 112.42 3dby n ASN 221 Ca 0.12 0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 3dby n ASN 221 Cb 0.48 -3.76 0.27 0.00 -0.61 0.00 0.00 39.78 36.16 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 -2.50 0.12 -4.40 3.52 1.02 -0.06 -4.85 120.64 113.49 3dby n GLU 222 Ca -0.18 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.59 3dby n GLU 222 Cb 0.61 -1.50 -0.11 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 -2.93 3.13 -0.26 2.62 0.11 -1.20 -5.03 120.40 116.85 3dby s VAL 223 Ca 0.13 -1.23 -0.08 0.00 -2.93 0.00 0.00 61.98 57.87 3dby s VAL 223 Cb 0.18 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 3dby s VAL 223 CO 0.67 0.21 0.11 -0.76 -3.33 0.00 0.00 175.10 172.00 3dby s LEU 224 N -1.86 3.63 0.06 2.54 1.43 -1.26 -4.89 118.68 118.33 3dby s LEU 224 Ca 0.18 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.86 3dby s LEU 224 Cb -0.11 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.22 3dby s LEU 224 CO 0.10 -0.03 1.14 -0.94 0.23 0.00 0.00 176.35 176.84 3dby s SER 225 N 1.63 -0.11 -0.25 2.29 1.04 -1.26 -1.07 113.70 115.97 3dby s SER 225 Ca 0.06 -0.26 0.13 0.00 0.48 0.00 0.00 55.95 56.36 3dby s SER 225 Cb -0.15 0.31 0.58 0.00 0.10 0.00 0.00 66.02 66.86 3dby s SER 225 CO 0.06 -0.58 1.53 1.33 0.98 0.00 0.00 173.24 176.57 3dby n VAL 226 N -0.49 2.53 -2.27 5.02 0.24 -0.00 -4.90 118.33 118.46 3dby n VAL 226 Ca -0.07 -2.05 -0.15 0.00 -2.04 0.00 0.00 64.34 60.03 3dby n VAL 226 Cb 0.62 -0.30 0.08 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.59 0.00 -3.90 1.34 4.77 -1.26 -5.04 117.00 112.33 3dby n LEU 227 Ca 0.30 -1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.01 3dby n LEU 227 Cb 1.06 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 3dby n LEU 227 CO 0.24 -0.85 -0.17 -0.94 -1.33 0.00 0.00 177.39 174.33 3dby s SER 228 N -3.52 0.12 0.35 -1.43 1.04 -1.26 -5.01 113.70 103.99 3dby s SER 228 Ca 0.41 -0.46 0.10 0.00 0.48 0.00 0.00 55.95 56.48 3dby s SER 228 Cb -0.02 0.25 0.85 0.00 0.10 0.00 0.00 66.02 67.20 3dby s SER 228 CO 0.27 -0.52 1.83 0.00 0.98 0.00 0.00 173.24 175.80 3dby h ALA 229 N 3.63 1.87 -0.38 5.32 0.00 -1.86 -2.44 119.26 125.39 3dby h ALA 229 Ca -0.32 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3dby h ALA 229 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3dby h ALA 229 CO 0.49 -0.17 -0.30 -0.09 0.00 0.00 0.00 179.25 179.18 3dby h ARG 230 N 0.66 0.83 -0.81 0.00 2.43 -1.95 -0.34 114.38 115.20 3dby h ARG 230 Ca 0.51 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3dby h ARG 230 Cb 0.91 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3dby h ARG 230 CO -0.26 1.02 0.45 1.98 -1.51 0.00 0.00 179.97 181.64 3dby h MET 231 N 0.70 1.12 -0.29 0.20 4.05 -1.86 -0.54 114.93 118.31 3dby h MET 231 Ca 0.08 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 3dby h MET 231 Cb 0.84 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 3dby h MET 231 CO 0.07 0.82 -0.04 0.00 0.23 0.00 0.00 176.91 178.00 3dby h ALA 232 N 1.24 0.40 -0.33 0.39 0.00 -1.01 -0.96 119.26 118.98 3dby h ALA 232 Ca 0.28 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3dby h ALA 232 Cb 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3dby h ALA 232 CO -0.05 0.19 -0.04 0.22 0.00 0.00 0.00 179.25 179.57 3dby h ASP 233 N 0.32 -0.22 -0.22 0.00 3.58 -0.99 -1.94 116.42 116.96 3dby h ASP 233 Ca 0.08 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.67 3dby h ASP 233 Cb 0.50 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.66 3dby h ASP 233 CO 0.02 -0.07 -0.15 -0.74 -2.88 0.00 0.00 179.24 175.43 3dby h HIS 234 N 0.05 -0.36 -0.98 0.28 2.76 -0.88 -1.19 115.15 114.82 3dby h HIS 234 Ca 0.16 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 3dby h HIS 234 Cb 0.23 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 29.32 3dby h HIS 234 CO -0.27 -0.21 0.63 0.52 -1.30 0.00 0.00 177.93 177.30 3dby h MET 235 N -0.14 1.10 -0.02 5.26 2.86 -1.02 -2.13 114.93 120.84 3dby h MET 235 Ca 0.13 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.53 3dby h MET 235 Cb 0.33 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3dby h MET 235 CO -0.31 0.73 -0.75 0.00 1.06 0.00 0.00 176.91 177.64 3dby h ALA 236 N 1.47 0.68 -0.55 6.32 0.00 -1.02 -1.62 119.26 124.54 3dby h ALA 236 Ca 0.42 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3dby h ALA 236 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dby h ALA 236 CO -0.17 0.84 0.07 0.00 0.00 0.00 0.00 179.25 180.00 3dby h ARG 237 N 0.12 0.92 -0.70 0.00 3.08 -1.07 -1.33 114.38 115.41 3dby h ARG 237 Ca -0.02 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 3dby h ARG 237 Cb 1.32 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 3dby h ARG 237 CO 0.11 0.90 0.27 0.93 -1.07 0.00 0.00 179.97 181.11 3dby h GLU 238 N 0.81 1.05 -0.57 0.04 5.08 -1.32 -1.07 114.58 118.60 3dby h GLU 238 Ca 0.16 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3dby h GLU 238 Cb 0.44 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3dby h GLU 238 CO 0.01 0.88 0.03 0.93 -1.00 0.00 0.00 179.01 179.86 3dby h GLU 239 N 1.00 0.95 -0.21 2.33 4.39 -1.23 -1.81 114.58 120.00 3dby h GLU 239 Ca 0.23 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3dby h GLU 239 Cb 0.23 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3dby h GLU 239 CO -0.02 0.92 0.10 0.00 -1.16 0.00 0.00 179.01 178.86 3dby h TYR 241 N 0.22 -0.25 -0.43 0.00 3.20 -1.01 0.15 116.97 118.85 3dby h TYR 241 Ca 0.09 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.06 3dby h TYR 241 Cb 0.02 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 3dby h TYR 241 CO -0.09 -0.16 -0.04 -0.92 -1.64 0.00 0.00 178.16 175.31 3dby h TYR 242 N -0.08 -0.10 -0.35 -3.82 3.20 -1.24 -0.05 116.97 114.53 3dby h TYR 242 Ca 0.12 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3dby h TYR 242 Cb 0.26 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3dby h TYR 242 CO -0.27 -0.13 0.11 -0.07 -1.64 0.00 0.00 178.16 176.16 3dby h LEU 243 N 0.07 0.11 -0.16 2.82 3.38 -0.79 -0.24 115.31 120.50 3dby h LEU 243 Ca 0.21 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.26 3dby h LEU 243 Cb 0.32 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3dby h LEU 243 CO -0.39 0.10 -0.06 0.25 0.09 0.00 0.00 178.44 178.43 3dby h LEU 244 N 0.25 -0.20 -1.44 1.67 5.85 -0.61 0.01 115.31 120.83 3dby h LEU 244 Ca 0.16 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3dby h LEU 244 Cb 0.14 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3dby h LEU 244 CO -0.17 -0.08 0.02 0.11 -0.34 0.00 0.00 178.44 177.97 3dby h LYS 245 N -0.03 0.38 -0.19 1.25 1.79 -0.82 -1.24 116.57 117.70 3dby h LYS 245 Ca 0.08 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 3dby h LYS 245 Cb 0.16 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3dby h LYS 245 CO -0.18 0.39 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.40 3dby h LEU 246 N 0.37 0.44 -0.56 2.94 3.38 -0.65 0.56 115.31 121.79 3dby h LEU 246 Ca 0.09 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3dby h LEU 246 Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3dby h LEU 246 CO 0.00 0.77 0.34 0.00 0.09 0.00 0.00 178.44 179.64 3dby h ALA 247 N 0.68 0.71 -0.17 1.53 0.00 -0.58 0.21 119.26 121.65 3dby h ALA 247 Ca 0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3dby h ALA 247 Cb 0.61 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dby h ALA 247 CO 0.03 0.19 -0.49 1.96 0.00 0.00 0.00 179.25 180.95 3dby h GLN 248 N 0.76 0.62 0.00 0.00 4.20 -1.27 0.11 115.11 119.52 3dby h GLN 248 Ca 0.20 -0.45 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 3dby h GLN 248 Cb -0.02 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3dby h GLN 248 CO -0.04 1.07 -0.45 0.66 -0.67 0.00 0.00 178.83 179.40 3dby h SER 249 N 0.29 0.00 -0.00 1.46 4.64 -0.77 -3.32 113.55 115.85 3dby h SER 249 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dby h SER 249 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3dby h SER 249 CO 0.11 0.45 -0.50 -0.24 -0.87 0.00 0.00 176.83 175.78 3dby n SER 250 N -3.99 0.81 -1.49 4.97 2.88 0.05 -4.62 113.62 112.23 3dby n SER 250 Ca -0.02 -0.91 -0.03 0.00 -1.33 0.00 0.00 58.87 56.59 3dby n SER 250 Cb 0.47 0.85 0.01 0.00 -0.75 0.00 0.00 64.21 64.80 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 1.22 0.35 3.68 0.46 0.00 -0.47 -5.03 105.19 105.39 3dby n GLY 251 Ca 0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.88 3.05 0.16 0.99 1.43 0.24 -5.04 118.68 116.62 3dby s LEU 252 Ca 0.01 -1.06 -0.33 0.00 -1.03 0.00 0.00 54.13 51.72 3dby s LEU 252 Cb -0.00 -1.36 -0.16 0.00 0.03 0.00 0.00 46.19 44.70 3dby s LEU 252 CO 0.13 -0.39 1.20 1.21 0.23 0.00 0.00 176.35 178.73 3dby n GLU 253 N -1.08 1.17 -2.13 1.70 4.07 -1.26 -4.63 120.64 118.47 3dby n GLU 253 Ca -0.03 0.42 -0.41 0.00 -0.06 0.00 0.00 57.16 57.08 3dby n GLU 253 Cb 0.64 -1.95 -0.02 0.00 -0.06 0.00 0.00 31.44 30.05 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 -0.22 4.37 0.49 5.31 -1.94 -1.26 -4.76 119.30 121.29 3dby s MET 254 Ca 0.75 2.19 -0.21 0.00 -1.71 0.00 0.00 55.69 56.72 3dby s MET 254 Cb -0.87 -3.08 -0.08 0.00 2.01 0.00 0.00 34.83 32.82 3dby s MET 254 CO 0.51 -0.17 1.07 -1.25 -0.01 0.00 0.00 175.02 175.17 3dby s PRO 255 N -1.75 3.73 -0.94 2.03 0.04 -1.26 -4.97 135.00 131.88 3dby s PRO 255 Ca 0.49 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 3dby s PRO 255 Cb -0.39 -2.14 0.22 0.00 0.04 0.00 0.00 34.50 32.23 3dby s PRO 255 CO 0.52 -0.50 0.94 0.15 0.04 0.00 0.00 177.00 178.15 3dby s LYS 256 N -3.13 3.80 0.15 4.56 3.01 -1.26 -4.93 119.74 121.94 3dby s LYS 256 Ca 0.67 -2.61 -0.23 0.00 -1.01 0.00 0.00 55.97 52.79 3dby s LYS 256 Cb -0.19 -4.55 0.07 0.00 -1.01 0.00 0.00 37.83 32.14 3dby s LYS 256 CO 0.23 -1.35 0.61 0.00 0.51 0.00 0.00 175.35 175.35 3dby s ASN 258 N -2.70 4.63 0.10 0.00 3.84 -1.26 -4.97 114.94 114.58 3dby s ASN 258 Ca 0.01 -0.57 0.25 0.00 0.21 0.00 0.00 52.86 52.75 3dby s ASN 258 Cb -0.01 -1.78 0.96 0.00 -0.55 0.00 0.00 41.25 39.86 3dby s ASN 258 CO -0.12 -0.10 1.76 -2.65 -2.79 0.00 0.00 177.10 173.20 3dby n PRO 259 N 4.80 0.11 0.05 0.43 -0.02 -1.26 -3.53 135.00 135.57 3dby n PRO 259 Ca -0.17 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 3dby n PRO 259 Cb 0.49 -1.65 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 3dby n PRO 259 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dby h LEU 260 N 0.00 0.00 -7.00 2.45 3.38 -1.93 -3.44 115.31 108.76 3dby h LEU 260 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3dby h LEU 260 Cb 0.50 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.97 3dby h LEU 260 CO 0.00 0.49 0.49 -0.70 0.09 0.00 0.00 178.44 178.81 3dby s GLU 261 N -2.99 0.34 0.72 1.13 2.12 -1.23 -4.93 118.70 113.85 3dby s GLU 261 Ca -0.02 0.52 -0.05 0.00 0.36 0.00 0.00 54.97 55.78 3dby s GLU 261 Cb 0.09 0.10 0.09 0.00 0.26 0.00 0.00 34.13 34.67 3dby s GLU 261 CO 0.81 -0.06 1.01 0.20 -0.54 0.00 0.00 175.26 176.67 3dby s GLY 262 N 0.93 1.75 0.33 -1.50 0.00 -1.26 -4.61 107.32 102.96 3dby s GLY 262 Ca -0.05 -1.26 0.26 0.00 0.00 0.00 0.00 44.72 43.68 3dby s GLY 262 CO -0.12 -0.78 1.78 1.12 0.00 0.00 0.00 173.10 175.10 3dby h HIS 263 N -0.60 0.00 0.00 1.90 2.07 -1.99 -3.35 115.15 113.18 3dby h HIS 263 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 3dby h HIS 263 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 3dby h HIS 263 CO -0.01 0.00 -0.32 1.58 -3.07 0.00 0.00 177.93 176.12 3dby n HIS 264 N -2.47 0.00 -3.14 6.12 -0.00 -1.26 -4.90 115.22 109.58 3dby n HIS 264 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.30 3dby n HIS 264 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 3dby n HIS 264 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3dby n HIS 265 N -0.82 4.99 -3.66 1.57 8.25 -1.26 -4.92 115.22 119.38 3dby n HIS 265 Ca 0.00 -3.61 -0.04 0.00 -0.26 0.00 0.00 57.72 53.81 3dby n HIS 265 Cb 0.00 -1.90 -0.01 0.00 1.12 0.00 0.00 29.99 29.19 3dby n HIS 265 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3dby s HIS 266 N -0.11 -0.18 -0.24 4.41 -0.00 -1.26 -4.49 115.29 113.43 3dby s HIS 266 Ca 0.36 -0.04 0.10 0.00 -0.00 0.00 0.00 55.06 55.48 3dby s HIS 266 Cb -0.06 0.59 0.43 0.00 -0.00 0.00 0.00 32.58 33.55 3dby s HIS 266 CO -0.04 -0.63 1.24 0.72 -0.00 0.00 0.00 174.74 176.03 3dby n HIS 267 N -0.39 0.66 0.56 0.38 8.25 -1.26 -5.18 115.22 118.24 3dby n HIS 267 Ca -0.07 -1.67 0.07 0.00 -0.26 0.00 0.00 57.72 55.79 3dby n HIS 267 Cb 0.61 -0.29 0.06 0.00 1.12 0.00 0.00 29.99 31.48 3dby n HIS 267 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59