#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 4.64 0.39 5.31 0.52 -1.26 -5.06 118.95 123.49 3dby s ARG 4 Ca 0.00 1.53 0.08 0.00 -0.52 0.00 0.00 55.73 56.82 3dby s ARG 4 Cb 0.00 -3.36 -0.07 0.00 0.52 0.00 0.00 34.95 32.03 3dby s ARG 4 CO 0.00 0.12 -0.02 0.54 0.02 0.00 0.00 175.30 175.97 3dby s ASN 5 N 0.15 3.76 0.10 0.23 2.20 -1.26 -5.03 114.94 115.08 3dby s ASN 5 Ca 0.49 -1.32 -0.19 0.00 -0.94 0.00 0.00 52.86 50.89 3dby s ASN 5 Cb -0.25 -0.37 -0.07 0.00 -2.00 0.00 0.00 41.25 38.56 3dby s ASN 5 CO 0.31 -0.39 1.61 0.22 -2.94 0.00 0.00 177.10 175.91 3dby h TYR 6 N 1.86 0.38 -0.50 1.54 3.20 -1.94 -0.73 116.97 120.79 3dby h TYR 6 Ca -0.43 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.31 3dby h TYR 6 Cb 1.24 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3dby h TYR 6 CO 0.73 0.43 -0.05 0.93 -1.64 0.00 0.00 178.16 178.57 3dby h GLU 7 N 0.22 0.91 0.10 1.82 3.07 -1.97 0.51 114.58 119.24 3dby h GLU 7 Ca 0.08 -0.31 -0.26 0.00 -0.50 0.00 0.00 59.36 58.37 3dby h GLU 7 Cb 0.23 -0.07 0.03 0.00 -0.84 0.00 0.00 28.75 28.09 3dby h GLU 7 CO -0.00 0.96 -1.06 0.93 -1.40 0.00 0.00 179.01 178.43 3dby h GLU 8 N 0.77 0.55 -0.23 2.33 5.08 -1.98 -2.36 114.58 118.73 3dby h GLU 8 Ca 0.14 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 3dby h GLU 8 Cb 0.58 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3dby h GLU 8 CO 0.03 1.31 0.14 1.03 -1.00 0.00 0.00 179.01 180.53 3dby h SER 9 N 0.13 0.27 -0.30 1.42 0.87 -1.08 -0.25 113.55 114.61 3dby h SER 9 Ca -0.16 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3dby h SER 9 Cb 1.76 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 3dby h SER 9 CO 0.20 0.22 0.18 0.00 -0.53 0.00 0.00 176.83 176.91 3dby h ALA 10 N 1.06 0.39 -0.55 6.23 0.00 -0.91 -0.18 119.26 125.29 3dby h ALA 10 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 10 Cb -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3dby h ALA 10 CO -0.02 -0.10 0.36 1.25 0.00 0.00 0.00 179.25 180.74 3dby h LEU 11 N 0.38 0.63 -0.13 0.00 5.85 -1.40 -1.30 115.31 119.34 3dby h LEU 11 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3dby h LEU 11 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3dby h LEU 11 CO -0.02 0.45 0.06 0.15 -0.34 0.00 0.00 178.44 178.74 3dby h PHE 12 N 0.74 0.20 -0.41 1.25 3.57 -0.68 -1.58 116.94 120.03 3dby h PHE 12 Ca 0.20 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3dby h PHE 12 Cb -0.08 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3dby h PHE 12 CO -0.04 0.26 0.12 0.93 -2.23 0.00 0.00 178.31 177.34 3dby h GLU 13 N 0.08 0.64 -0.10 1.11 4.39 -0.92 0.00 114.58 119.79 3dby h GLU 13 Ca 0.05 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3dby h GLU 13 Cb 0.14 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3dby h GLU 13 CO -0.01 0.65 0.06 0.45 -1.16 0.00 0.00 179.01 179.01 3dby h HIS 14 N 0.52 0.13 -0.49 4.33 3.86 -1.26 -0.28 115.15 121.95 3dby h HIS 14 Ca 0.13 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3dby h HIS 14 Cb 0.28 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3dby h HIS 14 CO 0.01 0.09 0.14 1.96 0.86 0.00 0.00 177.93 180.99 3dby h GLN 15 N 0.12 0.78 0.39 2.45 4.20 -1.08 0.97 115.11 122.95 3dby h GLN 15 Ca 0.04 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3dby h GLN 15 Cb -0.00 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3dby h GLN 15 CO -0.01 0.74 -0.37 0.35 -0.67 0.00 0.00 178.83 178.87 3dby h PHE 16 N 0.67 -1.00 -0.18 2.96 3.57 -0.84 -2.80 116.94 119.32 3dby h PHE 16 Ca 0.16 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 3dby h PHE 16 Cb 0.30 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3dby h PHE 16 CO 0.02 -0.52 -0.65 -1.49 -2.23 0.00 0.00 178.31 173.43 3dby h TRP 17 N -0.78 0.87 -0.09 0.41 4.06 -0.95 -2.22 115.95 117.24 3dby h TRP 17 Ca -0.03 -0.35 -0.15 0.00 2.06 0.00 0.00 58.89 60.42 3dby h TRP 17 Cb 0.69 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 3dby h TRP 17 CO -0.20 1.14 -0.60 -0.07 -3.56 0.00 0.00 178.44 175.15 3dby h LEU 18 N 0.49 0.34 -0.32 -4.49 3.38 -0.88 0.14 115.31 113.97 3dby h LEU 18 Ca -0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3dby h LEU 18 Cb 1.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3dby h LEU 18 CO 0.13 0.86 0.04 0.50 0.09 0.00 0.00 178.44 180.06 3dby h LYS 19 N 0.23 0.54 -0.51 1.13 3.64 -1.48 -0.92 116.57 119.21 3dby h LYS 19 Ca -0.00 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3dby h LYS 19 Cb 1.11 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 3dby h LYS 19 CO 0.10 0.64 0.12 0.28 -2.27 0.00 0.00 179.45 178.32 3dby h VAL 20 N 0.37 0.73 -0.09 2.00 2.07 -0.96 0.87 116.25 121.24 3dby h VAL 20 Ca 0.10 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 3dby h VAL 20 Cb 0.37 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3dby h VAL 20 CO 0.01 0.05 -0.64 -0.07 0.02 0.00 0.00 177.57 176.94 3dby h LEU 21 N 0.26 0.39 -0.74 2.57 3.38 -0.71 0.11 115.31 120.56 3dby h LEU 21 Ca 0.25 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dby h LEU 21 Cb 0.33 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3dby h LEU 21 CO -0.32 0.92 0.48 0.74 0.09 0.00 0.00 178.44 180.35 3dby h THR 22 N 0.24 1.14 0.15 0.22 2.02 -0.84 -1.28 112.91 114.56 3dby h THR 22 Ca -0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3dby h THR 22 Cb 1.17 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3dby h THR 22 CO 0.11 0.17 -0.07 0.44 0.37 0.00 0.00 175.52 176.53 3dby h ASP 23 N 0.95 -0.17 -0.55 4.18 3.45 0.01 -1.89 116.42 122.40 3dby h ASP 23 Ca 0.29 0.00 0.11 0.00 0.43 0.00 0.00 57.03 57.86 3dby h ASP 23 Cb -0.03 0.05 -0.09 0.00 -0.56 0.00 0.00 39.33 38.69 3dby h ASP 23 CO -0.09 -0.12 0.04 0.45 -1.57 0.00 0.00 179.24 177.95 3dby h HIS 24 N -0.21 0.04 -0.58 4.55 3.86 -0.60 0.22 115.15 122.42 3dby h HIS 24 Ca -0.02 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3dby h HIS 24 Cb 0.16 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3dby h HIS 24 CO -0.07 -0.10 0.30 0.00 0.86 0.00 0.00 177.93 178.92 3dby h ALA 25 N 1.47 0.75 -0.43 2.45 0.00 -0.98 -0.19 119.26 122.33 3dby h ALA 25 Ca 0.28 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3dby h ALA 25 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dby h ALA 25 CO -0.43 0.30 -0.07 0.37 0.00 0.00 0.00 179.25 179.42 3dby h GLN 26 N 0.79 0.81 0.20 0.00 5.75 -0.51 -0.54 115.11 121.61 3dby h GLN 26 Ca 0.20 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 3dby h GLN 26 Cb 0.09 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 3dby h GLN 26 CO -0.03 0.91 -0.11 0.74 -2.65 0.00 0.00 178.83 177.69 3dby h PHE 27 N 0.64 -0.29 -0.47 3.99 0.04 -0.23 -1.57 116.94 119.04 3dby h PHE 27 Ca 0.11 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.96 3dby h PHE 27 Cb 0.59 0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.77 3dby h PHE 27 CO 0.05 -0.18 0.06 -0.07 -0.60 0.00 0.00 178.31 177.57 3dby h LEU 28 N -0.29 -0.06 -0.42 1.54 3.38 -0.99 -1.80 115.31 116.68 3dby h LEU 28 Ca -0.02 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3dby h LEU 28 Cb 0.24 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3dby h LEU 28 CO 0.03 -0.00 0.05 0.25 0.09 0.00 0.00 178.44 178.86 3dby h LEU 29 N 0.19 -0.06 -0.62 1.67 5.85 -0.84 -1.56 115.31 119.93 3dby h LEU 29 Ca 0.23 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3dby h LEU 29 Cb 0.32 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3dby h LEU 29 CO -0.33 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 178.21 3dby h ASP 30 N 0.17 0.00 0.66 1.25 3.45 -0.98 -3.16 116.42 117.80 3dby h ASP 30 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3dby h ASP 30 Cb 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 3dby h ASP 30 CO -0.30 0.00 -0.65 0.00 -1.57 0.00 0.00 179.24 176.72 3dby n ALA 31 N -1.98 3.23 -2.05 3.45 0.00 -0.64 -4.91 120.51 117.61 3dby n ALA 31 Ca 0.03 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 3dby n ALA 31 Cb 0.38 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.73 4.54 0.52 0.00 1.43 -0.90 0.90 118.68 121.44 3dby s LEU 32 Ca 0.07 1.94 -0.22 0.00 -1.03 0.00 0.00 54.13 54.89 3dby s LEU 32 Cb 0.15 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 3dby s LEU 32 CO 0.73 -0.06 1.35 0.00 0.23 0.00 0.00 176.35 178.60 3dby s ALA 33 N -0.42 2.91 0.53 4.21 0.00 -0.88 -4.87 121.76 123.24 3dby s ALA 33 Ca 0.46 1.32 0.32 0.00 0.00 0.00 0.00 51.96 54.06 3dby s ALA 33 Cb -0.26 -3.55 1.48 0.00 0.00 0.00 0.00 23.12 20.79 3dby s ALA 33 CO 0.32 -1.27 1.87 -1.35 0.00 0.00 0.00 175.76 175.34 3dby h PRO 34 N 1.67 0.01 0.00 0.00 0.11 -1.95 0.24 132.00 132.08 3dby h PRO 34 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 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 0.58 0.01 0.00 0.36 -0.21 0.00 0.00 178.00 178.74 3dby n LYS 35 N -4.26 0.00 -1.37 1.05 2.85 -1.26 -4.11 118.16 111.06 3dby n LYS 35 Ca 0.20 0.18 -0.29 0.00 -1.05 0.00 0.00 58.31 57.34 3dby n LYS 35 Cb 1.00 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.80 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 -1.51 3.18 -0.28 -1.58 -0.58 0.85 -4.75 120.64 115.97 3dby n GLU 36 Ca 0.05 -2.10 0.08 0.00 -0.42 0.00 0.00 57.16 54.77 3dby n GLU 36 Cb 0.22 -2.44 0.21 0.00 -0.57 0.00 0.00 31.44 28.87 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 4.04 0.14 -0.30 3.49 1.79 -1.84 -1.44 116.57 122.46 3dby h LYS 37 Ca 0.57 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.92 3dby h LYS 37 Cb 0.72 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 3dby h LYS 37 CO 1.14 0.09 -0.25 1.49 -1.08 0.00 0.00 179.45 180.84 3dby h GLU 38 N 0.14 0.70 0.00 3.15 4.81 -1.96 -1.26 114.58 120.17 3dby h GLU 38 Ca 0.47 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 3dby h GLU 38 Cb 0.89 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3dby h GLU 38 CO -0.67 0.96 -0.60 -0.44 -0.73 0.00 0.00 179.01 177.53 3dby h ASP 39 N 0.45 0.00 -0.19 1.04 3.32 -1.81 -0.99 116.42 118.24 3dby h ASP 39 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3dby h ASP 39 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3dby h ASP 39 CO 0.06 0.60 -0.01 0.40 -1.72 0.00 0.00 179.24 178.57 3dby h ILE 40 N 0.00 1.26 -0.54 0.35 2.04 -1.19 0.50 117.51 119.94 3dby h ILE 40 Ca -0.01 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.02 3dby h ILE 40 Cb 1.17 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 3dby h ILE 40 CO 0.08 0.28 0.20 0.50 0.00 0.00 0.00 178.15 179.20 3dby h LYS 41 N 0.09 0.36 -0.12 2.37 3.64 -1.15 0.18 116.57 121.95 3dby h LYS 41 Ca 0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3dby h LYS 41 Cb 0.42 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3dby h LYS 41 CO 0.01 0.24 0.07 0.87 -2.27 0.00 0.00 179.45 178.37 3dby h LYS 42 N 0.38 0.16 -0.61 1.90 1.57 -0.94 -1.94 116.57 117.08 3dby h LYS 42 Ca 0.26 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.10 3dby h LYS 42 Cb 0.29 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 3dby h LYS 42 CO -0.27 0.16 0.30 0.00 -0.57 0.00 0.00 179.45 179.07 3dby h ALA 43 N 0.99 0.80 -0.70 3.86 0.00 0.22 -2.05 119.26 122.38 3dby h ALA 43 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dby h ALA 43 Cb 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3dby h ALA 43 CO -0.01 -0.07 0.40 1.15 0.00 0.00 0.00 179.25 180.72 3dby h THR 44 N 0.54 1.20 -0.59 0.00 2.02 -0.54 -0.66 112.91 114.89 3dby h THR 44 Ca 0.29 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3dby h THR 44 Cb 0.25 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3dby h THR 44 CO -0.22 0.22 0.31 0.22 0.37 0.00 0.00 175.52 176.42 3dby h TYR 45 N 0.97 0.83 -0.39 3.16 3.20 -0.94 -1.79 116.97 122.02 3dby h TYR 45 Ca 0.25 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.98 3dby h TYR 45 Cb -0.00 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 3dby h TYR 45 CO 0.01 0.61 -0.24 0.74 -1.64 0.00 0.00 178.16 177.64 3dby h PHE 46 N 0.80 0.89 -0.26 -3.82 0.04 -1.00 0.16 116.94 113.75 3dby h PHE 46 Ca 0.21 -0.21 0.05 0.00 2.80 0.00 0.00 57.97 60.82 3dby h PHE 46 Cb 0.07 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 3dby h PHE 46 CO -0.01 0.94 -0.01 0.28 -0.60 0.00 0.00 178.31 178.91 3dby h VAL 47 N 0.68 0.80 -0.05 -0.55 2.07 -0.91 -0.73 116.25 117.56 3dby h VAL 47 Ca 0.09 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3dby h VAL 47 Cb 0.75 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3dby h VAL 47 CO 0.06 0.01 0.02 -0.33 0.02 0.00 0.00 177.57 177.35 3dby h GLU 48 N 0.07 0.08 -0.28 1.57 5.08 -1.19 -1.31 114.58 118.61 3dby h GLU 48 Ca 0.12 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3dby h GLU 48 Cb 0.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3dby h GLU 48 CO -0.22 0.22 0.06 1.15 -1.00 0.00 0.00 179.01 179.22 3dby h THR 49 N -0.07 0.88 -0.05 1.13 2.02 -0.81 0.15 112.91 116.15 3dby h THR 49 Ca 0.02 -0.06 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 3dby h THR 49 Cb 0.17 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3dby h THR 49 CO -0.00 0.03 -0.69 -0.26 0.37 0.00 0.00 175.52 174.97 3dby h PHE 50 N 0.17 0.33 -0.27 3.16 0.04 -1.15 -1.61 116.94 117.61 3dby h PHE 50 Ca 0.13 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3dby h PHE 50 Cb 0.12 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3dby h PHE 50 CO -0.16 0.86 0.11 1.15 -0.60 0.00 0.00 178.31 179.67 3dby h THR 51 N 0.17 1.17 -0.45 -1.55 2.02 -1.02 -1.62 112.91 111.63 3dby h THR 51 Ca -0.02 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 3dby h THR 51 Cb 1.23 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3dby h THR 51 CO 0.11 0.17 0.22 0.78 0.37 0.00 0.00 175.52 177.17 3dby h ASN 52 N 0.28 0.59 -0.47 4.18 2.35 -0.94 -2.11 115.58 119.47 3dby h ASN 52 Ca 0.09 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3dby h ASN 52 Cb 0.17 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3dby h ASN 52 CO -0.01 0.56 0.23 -0.07 -1.65 0.00 0.00 177.43 176.49 3dby h LEU 53 N 0.59 0.33 -0.56 1.61 3.38 -1.18 -1.90 115.31 117.57 3dby h LEU 53 Ca 0.16 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3dby h LEU 53 Cb 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3dby h LEU 53 CO -0.02 0.23 0.37 0.25 0.09 0.00 0.00 178.44 179.36 3dby h LEU 54 N 0.46 0.63 -2.23 1.67 5.85 -1.21 -1.99 115.31 118.49 3dby h LEU 54 Ca 0.21 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3dby h LEU 54 Cb 0.12 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3dby h LEU 54 CO -0.15 0.46 -0.06 0.78 -0.34 0.00 0.00 178.44 179.13 3dby h ASN 55 N 0.75 0.00 0.51 1.25 -0.26 -1.08 -2.92 115.58 113.82 3dby h ASN 55 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 3dby h ASN 55 Cb -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 3dby h ASN 55 CO -0.05 0.06 -0.88 0.29 -1.06 0.00 0.00 177.43 175.79 3dby n LYS 56 N -3.67 0.24 -1.69 0.81 5.02 -0.74 -4.98 118.16 113.15 3dby n LYS 56 Ca -0.02 0.01 -0.44 0.00 -2.02 0.00 0.00 58.31 55.84 3dby n LYS 56 Cb 0.16 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.91 1.10 -3.74 -0.18 3.14 -0.90 -4.97 118.33 110.87 3dby n VAL 57 Ca 0.03 -0.28 -0.11 0.00 -2.96 0.00 0.00 64.34 61.02 3dby n VAL 57 Cb 0.42 -1.62 -0.07 0.00 -1.06 0.00 0.00 33.84 31.51 3dby n VAL 57 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3dby s ARG 58 N -0.63 0.86 0.00 1.45 0.52 -1.26 -5.04 118.95 114.85 3dby s ARG 58 Ca 0.65 -0.57 0.21 0.00 -0.52 0.00 0.00 55.73 55.50 3dby s ARG 58 Cb -0.60 0.37 0.92 0.00 0.52 0.00 0.00 34.95 36.16 3dby s ARG 58 CO 0.51 -0.29 1.68 0.27 0.02 0.00 0.00 175.30 177.49 3dby n ASN 59 N 0.39 0.00 -4.84 0.23 0.23 -1.26 -4.44 115.26 105.56 3dby n ASN 59 Ca -0.18 0.44 -0.29 0.00 -0.53 0.00 0.00 54.58 54.02 3dby n ASN 59 Cb 0.60 -0.48 -0.05 0.00 -2.08 0.00 0.00 39.78 37.78 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3dby s VAL 60 N -2.95 4.89 -1.66 3.53 -7.23 -1.26 -4.48 120.40 111.23 3dby s VAL 60 Ca 0.11 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 3dby s VAL 60 Cb 0.14 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.67 3dby s VAL 60 CO 0.38 0.07 0.00 0.59 -0.31 0.00 0.00 175.10 175.83 3dby n ASN 61 N 0.16 -5.49 0.08 4.85 4.13 -1.26 -4.89 115.26 112.85 3dby n ASN 61 Ca -0.07 0.05 0.02 0.00 1.68 0.00 0.00 54.58 56.26 3dby n ASN 61 Cb 0.52 -4.60 0.39 0.00 -1.54 0.00 0.00 39.78 34.56 3dby n ASN 61 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3dby h LEU 62 N 0.00 0.31 -0.03 3.41 3.38 -1.78 -0.64 115.31 119.96 3dby h LEU 62 Ca -0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3dby h LEU 62 Cb 1.33 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3dby h LEU 62 CO 0.54 0.39 -0.02 0.24 0.09 0.00 0.00 178.44 179.69 3dby h MET 63 N 0.32 0.06 -0.45 1.13 2.86 -1.90 -1.72 114.93 115.24 3dby h MET 63 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3dby h MET 63 Cb 0.28 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3dby h MET 63 CO 0.01 0.48 0.22 0.00 1.06 0.00 0.00 176.91 178.68 3dby h ALA 64 N 0.58 0.57 -0.76 6.32 0.00 -1.86 -2.26 119.26 121.84 3dby h ALA 64 Ca 0.01 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 64 Cb 0.47 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3dby h ALA 64 CO 0.00 0.13 0.50 0.35 0.00 0.00 0.00 179.25 180.23 3dby h PHE 65 N 0.58 0.64 -0.00 0.00 3.57 -1.06 -0.96 116.94 119.70 3dby h PHE 65 Ca 0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 3dby h PHE 65 Cb 0.10 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3dby h PHE 65 CO -0.01 0.28 -0.39 0.77 -2.23 0.00 0.00 178.31 176.73 3dby h SER 66 N 0.58 0.01 0.18 0.41 0.02 -0.71 0.56 113.55 114.61 3dby h SER 66 Ca 0.36 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.08 3dby h SER 66 Cb 0.62 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.16 3dby h SER 66 CO -0.13 0.39 -0.91 0.11 -1.14 0.00 0.00 176.83 175.15 3dby h LYS 67 N 0.01 0.53 -0.31 3.45 1.57 -1.01 -0.45 116.57 120.35 3dby h LYS 67 Ca -0.00 -0.53 -0.11 0.00 -1.87 0.00 0.00 60.65 58.14 3dby h LYS 67 Cb 0.69 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3dby h LYS 67 CO 0.05 1.16 -0.22 1.49 -0.57 0.00 0.00 179.45 181.35 3dby h GLU 68 N 0.32 0.70 -0.73 3.15 4.81 -1.22 -2.36 114.58 119.25 3dby h GLU 68 Ca -0.08 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 58.86 3dby h GLU 68 Cb 1.54 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.87 3dby h GLU 68 CO 0.17 0.95 0.43 0.00 -0.73 0.00 0.00 179.01 179.83 3dby h ALA 69 N 0.74 0.97 -0.56 2.92 0.00 -0.82 -2.46 119.26 120.05 3dby h ALA 69 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dby h ALA 69 Cb 0.78 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3dby h ALA 69 CO 0.06 0.16 0.32 1.49 0.00 0.00 0.00 179.25 181.28 3dby h GLU 70 N 0.81 0.77 -0.12 0.00 4.81 -0.98 -0.76 114.58 119.11 3dby h GLU 70 Ca 0.31 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3dby h GLU 70 Cb 0.13 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3dby h GLU 70 CO -0.15 0.57 0.01 0.37 -0.73 0.00 0.00 179.01 179.08 3dby h GLN 71 N 0.76 0.05 -0.46 1.92 5.75 -1.26 0.11 115.11 121.97 3dby h GLN 71 Ca 0.20 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.77 3dby h GLN 71 Cb 0.01 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 3dby h GLN 71 CO -0.03 0.03 0.09 0.00 -2.65 0.00 0.00 178.83 176.27 3dby h ALA 72 N 1.10 0.51 -0.29 3.38 0.00 -1.28 -2.04 119.26 120.65 3dby h ALA 72 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dby h ALA 72 Cb 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dby h ALA 72 CO -0.09 -0.31 0.19 0.00 0.00 0.00 0.00 179.25 179.04 3dby h ALA 73 N 1.36 0.37 -0.79 0.00 0.00 -0.85 -1.45 119.26 117.91 3dby h ALA 73 Ca 0.23 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.24 3dby h ALA 73 Cb 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3dby h ALA 73 CO -0.30 -0.15 0.52 0.87 0.00 0.00 0.00 179.25 180.19 3dby h LYS 74 N 0.39 0.55 -0.10 0.00 1.57 -0.63 -1.66 116.57 116.70 3dby h LYS 74 Ca 0.11 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3dby h LYS 74 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3dby h LYS 74 CO -0.02 0.37 -0.29 0.93 -0.57 0.00 0.00 179.45 179.86 3dby h GLU 75 N 0.57 0.38 -0.03 3.15 5.08 -0.55 -2.33 114.58 120.86 3dby h GLU 75 Ca 0.38 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3dby h GLU 75 Cb 0.69 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3dby h GLU 75 CO -0.14 0.89 -0.39 0.97 -1.00 0.00 0.00 179.01 179.33 3dby h ILE 76 N -0.06 1.29 -0.19 3.13 2.10 -1.31 -1.85 117.51 120.63 3dby h ILE 76 Ca -0.01 -1.38 0.04 0.00 1.08 0.00 0.00 64.86 64.59 3dby h ILE 76 Cb 0.91 1.71 -0.04 0.00 -1.09 0.00 0.00 36.82 38.31 3dby h ILE 76 CO 0.06 0.40 -0.06 -0.09 -1.08 0.00 0.00 178.15 177.38 3dby h ARG 77 N 0.05 -0.03 -0.48 2.19 2.43 -1.23 -0.42 114.38 116.89 3dby h ARG 77 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3dby h ARG 77 Cb 0.72 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3dby h ARG 77 CO 0.05 -0.02 0.26 0.00 -1.51 0.00 0.00 179.97 178.76 3dby h ALA 78 N 1.15 0.61 -0.13 2.80 0.00 -1.10 -1.67 119.26 120.92 3dby h ALA 78 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dby h ALA 78 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3dby h ALA 78 CO -0.21 0.14 -0.20 0.35 0.00 0.00 0.00 179.25 179.32 3dby h PHE 79 N 0.63 -0.54 -0.39 0.00 3.57 -1.15 0.17 116.94 119.24 3dby h PHE 79 Ca 0.17 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3dby h PHE 79 Cb 0.05 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3dby h PHE 79 CO -0.02 -0.28 0.15 0.87 -2.23 0.00 0.00 178.31 176.79 3dby h LYS 80 N -0.26 0.30 -0.58 1.11 1.57 -0.87 -0.02 116.57 117.83 3dby h LYS 80 Ca 0.10 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3dby h LYS 80 Cb 0.41 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3dby h LYS 80 CO -0.28 0.20 0.16 -0.07 -0.57 0.00 0.00 179.45 178.89 3dby h LEU 81 N 0.31 0.82 -1.26 2.94 3.38 -1.02 -0.92 115.31 119.55 3dby h LEU 81 Ca 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3dby h LEU 81 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3dby h LEU 81 CO -0.18 0.78 0.14 -1.13 0.09 0.00 0.00 178.44 178.14 3dby h ASN 82 N 0.85 0.59 -0.28 -0.43 -1.24 0.31 -0.31 115.58 115.07 3dby h ASN 82 Ca 0.19 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 57.03 3dby h ASN 82 Cb 0.27 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 3dby h ASN 82 CO -0.01 0.57 -0.20 0.40 -1.29 0.00 0.00 177.43 176.90 3dby h ILE 83 N 0.63 1.30 -0.37 2.57 2.04 -0.22 -2.09 117.51 121.37 3dby h ILE 83 Ca 0.15 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.68 3dby h ILE 83 Cb 0.19 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3dby h ILE 83 CO -0.01 0.42 0.24 0.40 0.00 0.00 0.00 178.15 179.21 3dby h ILE 84 N 0.37 1.09 -0.46 -0.67 2.04 -0.84 0.01 117.51 119.05 3dby h ILE 84 Ca 0.05 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3dby h ILE 84 Cb 0.74 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3dby h ILE 84 CO 0.05 0.09 0.14 -0.61 0.00 0.00 0.00 178.15 177.82 3dby h GLN 85 N 0.50 0.29 -0.03 2.37 4.15 -1.03 -0.19 115.11 121.16 3dby h GLN 85 Ca 0.14 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3dby h GLN 85 Cb -0.05 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3dby h GLN 85 CO -0.04 0.19 -0.25 0.87 -1.93 0.00 0.00 178.83 177.67 3dby h LYS 86 N 0.30 0.06 -0.69 1.69 1.57 -0.88 -2.45 116.57 116.16 3dby h LYS 86 Ca 0.22 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3dby h LYS 86 Cb 0.24 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3dby h LYS 86 CO -0.24 0.31 0.18 1.96 -0.57 0.00 0.00 179.45 181.09 3dby h GLN 87 N 0.05 1.10 0.00 3.15 4.20 0.28 0.40 115.11 124.29 3dby h GLN 87 Ca 0.01 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3dby h GLN 87 Cb 0.48 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3dby h GLN 87 CO 0.03 0.97 0.00 -0.07 -0.67 0.00 0.00 178.83 179.09 3dby h LEU 88 N 1.04 0.00 -1.90 1.46 3.38 -0.67 -2.59 115.31 116.02 3dby h LEU 88 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dby h LEU 88 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dby h LEU 88 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3dby n GLU 89 N -2.91 1.54 -2.18 1.13 1.02 -0.96 -4.99 120.64 113.29 3dby n GLU 89 Ca 0.02 -1.62 -0.07 0.00 -0.02 0.00 0.00 57.16 55.47 3dby n GLU 89 Cb 0.34 -1.31 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.86 0.11 0.89 0.62 0.00 -0.05 -4.95 105.19 102.67 3dby n GLY 90 Ca 0.11 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.68 2.99 -3.69 1.61 5.02 0.12 -4.98 118.16 117.55 3dby n LYS 91 Ca -0.08 -2.73 -0.14 0.00 -2.02 0.00 0.00 58.31 53.34 3dby n LYS 91 Cb 0.56 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.53 0.02 -0.28 -0.18 2.07 -1.25 -4.95 121.20 114.10 3dby s ILE 92 Ca 0.40 -0.20 -0.05 0.00 -1.41 0.00 0.00 60.65 59.38 3dby s ILE 92 Cb 0.31 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 42.19 3dby s ILE 92 CO 0.10 -0.11 0.04 -0.89 -1.91 0.00 0.00 174.94 172.18 3dby s THR 93 N -0.77 3.68 -0.11 4.00 2.01 -1.26 -4.83 115.64 118.37 3dby s THR 93 Ca -0.08 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 3dby s THR 93 Cb -0.03 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.61 3dby s THR 93 CO 0.04 0.11 0.28 -0.51 -0.69 0.00 0.00 174.62 173.85 3dby s ILE 94 N 1.45 -0.00 -0.17 1.82 2.07 -1.26 -2.07 121.20 123.04 3dby s ILE 94 Ca 0.02 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3dby s ILE 94 Cb -0.17 -0.40 0.24 0.00 0.13 0.00 0.00 42.46 42.26 3dby s ILE 94 CO 0.01 0.00 1.39 1.41 -1.91 0.00 0.00 174.94 175.84 3dby n HIS 95 N 2.95 1.13 -5.15 3.50 8.25 0.26 -4.78 115.22 121.38 3dby n HIS 95 Ca -0.13 -1.05 -0.30 0.00 -0.26 0.00 0.00 57.72 55.98 3dby n HIS 95 Cb 0.58 -0.53 -0.16 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.22 2.21 0.69 4.41 2.99 -1.26 -5.03 117.98 120.76 3dby s PHE 96 Ca 0.21 -0.41 -0.11 0.00 0.00 0.00 0.00 56.93 56.62 3dby s PHE 96 Cb 0.18 -1.40 0.00 0.00 0.00 0.00 0.00 43.02 41.80 3dby s PHE 96 CO 0.04 -0.00 1.06 0.95 -0.00 0.00 0.00 175.22 177.26 3dby s THR 97 N -0.63 4.07 0.36 0.64 -4.23 -1.26 -4.92 115.64 109.67 3dby s THR 97 Ca 0.10 0.68 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 3dby s THR 97 Cb -0.10 -3.43 0.31 0.00 1.34 0.00 0.00 72.50 70.62 3dby s THR 97 CO -0.00 -0.87 1.92 -0.65 -0.54 0.00 0.00 174.62 174.48 3dby h PRO 98 N -0.64 0.71 -0.40 3.99 0.11 -1.97 -1.84 132.00 131.96 3dby h PRO 98 Ca -0.44 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3dby h PRO 98 Cb 1.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3dby h PRO 98 CO 0.57 0.47 -0.28 1.15 -0.21 0.00 0.00 178.00 179.70 3dby h THR 99 N 0.73 1.27 -0.78 -1.15 2.02 -1.98 0.13 112.91 113.16 3dby h THR 99 Ca 0.37 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 3dby h THR 99 Cb 0.46 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3dby h THR 99 CO -0.15 0.48 0.31 0.15 0.37 0.00 0.00 175.52 176.68 3dby h PHE 100 N 0.72 1.20 0.00 3.16 3.57 -1.72 -0.03 116.94 123.84 3dby h PHE 100 Ca 0.09 -0.09 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 3dby h PHE 100 Cb 0.83 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3dby h PHE 100 CO 0.05 0.91 -0.73 0.82 -2.23 0.00 0.00 178.31 177.13 3dby h ILE 101 N 1.14 1.51 -0.55 1.41 2.04 -1.23 -2.36 117.51 119.48 3dby h ILE 101 Ca 0.26 -2.51 -0.01 0.00 1.00 0.00 0.00 64.86 63.60 3dby h ILE 101 Cb 0.22 2.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 3dby h ILE 101 CO -0.02 0.72 0.30 -1.13 0.00 0.00 0.00 178.15 178.02 3dby h ASN 102 N 0.00 0.67 -0.26 1.72 -1.24 0.53 -0.99 115.58 116.00 3dby h ASN 102 Ca -0.01 -0.05 -0.19 0.00 0.71 0.00 0.00 56.30 56.77 3dby h ASN 102 Cb 1.30 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.18 3dby h ASN 102 CO 0.09 0.54 -0.55 0.45 -1.29 0.00 0.00 177.43 176.67 3dby h HIS 103 N 0.76 1.08 -0.83 0.67 3.86 -0.80 -1.32 115.15 118.56 3dby h HIS 103 Ca 0.20 -0.39 0.12 0.00 -1.16 0.00 0.00 60.37 59.14 3dby h HIS 103 Cb 0.02 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.20 3dby h HIS 103 CO 0.00 1.21 0.45 0.52 0.86 0.00 0.00 177.93 180.98 3dby h MET 104 N 0.66 0.67 -0.34 2.45 2.86 -0.91 -1.25 114.93 119.07 3dby h MET 104 Ca 0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3dby h MET 104 Cb 1.16 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 3dby h MET 104 CO 0.12 0.44 0.18 0.28 1.06 0.00 0.00 176.91 179.00 3dby h VAL 105 N 0.69 1.14 -0.72 -2.22 2.07 -0.87 -1.37 116.25 114.97 3dby h VAL 105 Ca 0.43 -0.38 0.14 0.00 0.82 0.00 0.00 66.70 67.72 3dby h VAL 105 Cb 0.52 0.78 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3dby h VAL 105 CO -0.31 0.15 0.24 0.78 0.02 0.00 0.00 177.57 178.44 3dby h ASN 106 N 0.42 0.16 -0.18 0.57 2.35 -0.80 -1.56 115.58 116.55 3dby h ASN 106 Ca 0.12 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3dby h ASN 106 Cb 0.07 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3dby h ASN 106 CO -0.02 0.05 0.09 -0.33 -1.65 0.00 0.00 177.43 175.57 3dby h GLU 107 N 0.37 0.27 -0.14 0.81 5.08 -1.03 -1.99 114.58 117.94 3dby h GLU 107 Ca 0.40 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3dby h GLU 107 Cb 0.62 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3dby h GLU 107 CO -0.43 0.30 -0.14 -0.24 -1.00 0.00 0.00 179.01 177.50 3dby h VAL 108 N 0.17 1.18 0.00 3.13 3.04 -0.95 -1.93 116.25 120.88 3dby h VAL 108 Ca 0.06 -0.79 -0.10 0.00 -1.01 0.00 0.00 66.70 64.87 3dby h VAL 108 Cb 0.12 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 3dby h VAL 108 CO -0.01 0.24 -0.46 -0.33 -1.01 0.00 0.00 177.57 176.01 3dby h GLU 109 N 0.21 0.00 -0.38 4.17 5.08 -0.93 -0.66 114.58 122.07 3dby h GLU 109 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3dby h GLU 109 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3dby h GLU 109 CO 0.02 0.46 -0.35 0.93 -1.00 0.00 0.00 179.01 179.07 3dby h GLU 110 N 0.00 0.88 -0.45 2.33 4.39 -0.62 -1.86 114.58 119.25 3dby h GLU 110 Ca -0.00 -0.44 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 3dby h GLU 110 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 3dby h GLU 110 CO 0.06 1.08 0.27 -0.92 -1.16 0.00 0.00 179.01 178.35 3dby h TYR 111 N 0.72 0.59 -0.39 4.33 3.20 -0.98 -1.28 116.97 123.17 3dby h TYR 111 Ca 0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3dby h TYR 111 Cb 0.93 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3dby h TYR 111 CO 0.06 0.41 0.21 0.82 -1.64 0.00 0.00 178.16 178.02 3dby h ILE 112 N 0.60 1.13 -0.07 1.81 2.04 -1.01 0.27 117.51 122.28 3dby h ILE 112 Ca 0.16 -0.32 -0.19 0.00 1.00 0.00 0.00 64.86 65.51 3dby h ILE 112 Cb -0.01 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3dby h ILE 112 CO -0.03 0.14 -0.75 0.00 0.00 0.00 0.00 178.15 177.51 3dby h ALA 113 N 1.69 0.57 -0.15 1.87 0.00 -0.75 -1.64 119.26 120.85 3dby h ALA 113 Ca 0.14 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3dby h ALA 113 Cb 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dby h ALA 113 CO -0.02 0.77 -0.63 0.28 0.00 0.00 0.00 179.25 179.65 3dby h VAL 114 N 0.26 1.33 0.00 0.00 2.07 -0.51 -2.97 116.25 116.43 3dby h VAL 114 Ca -0.04 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 3dby h VAL 114 Cb 1.33 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 3dby h VAL 114 CO 0.13 0.59 -0.18 -0.07 0.02 0.00 0.00 177.57 178.06 3dby h LEU 115 N 0.41 0.00 -0.38 2.57 3.38 -0.12 -2.04 115.31 119.13 3dby h LEU 115 Ca -0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3dby h LEU 115 Cb 1.20 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 3dby h LEU 115 CO 0.12 0.18 -0.22 -0.08 0.09 0.00 0.00 178.44 178.53 3dby h GLU 116 N 0.00 -0.15 0.20 1.13 4.81 -1.13 -1.63 114.58 117.81 3dby h GLU 116 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3dby h GLU 116 Cb 0.36 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3dby h GLU 116 CO 0.02 -0.10 -0.10 0.74 -0.73 0.00 0.00 179.01 178.85 3dby h PHE 117 N -0.15 -0.25 -0.87 0.92 0.04 -1.61 -3.34 116.94 111.68 3dby h PHE 117 Ca 0.19 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.03 3dby h PHE 117 Cb 0.44 0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.62 3dby h PHE 117 CO -0.44 -0.01 0.56 -0.07 -0.60 0.00 0.00 178.31 177.76 3dby h LEU 118 N -0.47 0.81 -1.74 1.54 3.38 -1.09 -1.80 115.31 115.94 3dby h LEU 118 Ca -0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3dby h LEU 118 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3dby h LEU 118 CO 0.05 0.50 -0.17 0.11 0.09 0.00 0.00 178.44 179.02 3dby h LYS 119 N 0.90 0.00 -0.64 1.13 1.57 -1.43 -2.29 116.57 115.81 3dby h LYS 119 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3dby h LYS 119 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3dby h LYS 119 CO -0.15 0.17 0.00 0.36 -0.57 0.00 0.00 179.45 179.25 3dby n LYS 120 N -3.75 3.08 -1.72 3.15 2.85 -0.73 -4.86 118.16 116.17 3dby n LYS 120 Ca -0.02 -2.43 -0.10 0.00 -1.05 0.00 0.00 58.31 54.71 3dby n LYS 120 Cb 0.27 -1.71 -0.03 0.00 -0.65 0.00 0.00 35.03 32.92 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 1.21 0.60 3.87 2.58 0.00 -0.86 -5.02 105.19 107.56 3dby n GLY 121 Ca 0.22 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.63 3.53 0.01 1.61 2.02 -0.89 -4.99 118.70 116.35 3dby s GLU 122 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 3dby s GLU 122 Cb 0.00 -3.20 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 3dby s GLU 122 CO 0.00 0.75 1.86 0.08 0.02 0.00 0.00 175.26 177.97 3dby s VAL 123 N -0.99 3.21 0.19 2.63 1.01 -1.26 -3.78 120.40 121.40 3dby s VAL 123 Ca 0.16 0.25 -0.33 0.00 0.00 0.00 0.00 61.98 62.07 3dby s VAL 123 Cb -0.13 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.97 3dby s VAL 123 CO 0.05 -0.02 1.68 -2.65 0.00 0.00 0.00 175.10 174.16 3dby n PRO 124 N 7.40 2.57 -1.19 2.72 -0.02 -1.26 -4.97 135.00 140.25 3dby n PRO 124 Ca 0.19 0.93 -0.32 0.00 -2.02 0.00 0.00 63.50 62.28 3dby n PRO 124 Cb 0.42 -2.75 0.11 0.00 -0.02 0.00 0.00 33.50 31.25 3dby n PRO 124 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dby s PRO 125 N 1.17 1.89 -0.26 0.52 0.04 -1.26 -4.99 135.00 132.11 3dby s PRO 125 Ca 0.77 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 63.04 3dby s PRO 125 Cb -0.56 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3dby s PRO 125 CO 0.34 -1.97 0.93 0.08 0.04 0.00 0.00 177.00 176.42 3dby s VAL 126 N -2.48 4.72 0.95 -0.36 1.01 -1.26 -5.06 120.40 117.93 3dby s VAL 126 Ca 0.68 1.67 -0.13 0.00 0.00 0.00 0.00 61.98 64.19 3dby s VAL 126 Cb -0.23 -4.23 0.16 0.00 0.00 0.00 0.00 36.38 32.08 3dby s VAL 126 CO 0.52 -0.21 1.14 -0.36 0.00 0.00 0.00 175.10 176.19 3dby s PHE 127 N 3.12 2.23 0.55 5.22 0.08 -1.26 -4.97 117.98 122.94 3dby s PHE 127 Ca 0.39 0.80 -0.21 0.00 0.12 0.00 0.00 56.93 58.03 3dby s PHE 127 Cb -0.14 -3.43 -0.06 0.00 -0.57 0.00 0.00 43.02 38.81 3dby s PHE 127 CO 0.09 -2.58 1.09 1.58 -0.10 0.00 0.00 175.22 175.31 3dby n HIS 128 N -3.90 1.35 0.22 0.36 -0.00 -1.26 -4.74 115.22 107.25 3dby n HIS 128 Ca 0.07 0.46 0.05 0.00 0.46 0.00 0.00 57.72 58.77 3dby n HIS 128 Cb 0.59 -2.23 0.50 0.00 -0.12 0.00 0.00 29.99 28.74 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3dby h GLU 129 N 1.00 0.00 0.00 1.57 4.11 -1.92 -1.41 114.58 117.93 3dby h GLU 129 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 3dby h GLU 129 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 3dby h GLU 129 CO 0.54 0.19 -0.12 -0.07 0.07 0.00 0.00 179.01 179.63 3dby h LEU 130 N 0.00 0.00 -0.45 3.06 3.38 -1.98 -1.86 115.31 117.47 3dby h LEU 130 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3dby h LEU 130 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3dby h LEU 130 CO 0.02 0.12 -0.11 -0.74 0.09 0.00 0.00 178.44 177.82 3dby h HIS 131 N 0.00 0.97 -0.27 1.13 2.76 -1.60 -1.79 115.15 116.36 3dby h HIS 131 Ca -0.00 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 57.93 3dby h HIS 131 Cb 0.32 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 3dby h HIS 131 CO 0.00 0.97 0.05 1.88 -1.30 0.00 0.00 177.93 179.52 3dby h TYR 132 N 0.70 0.47 -0.28 5.26 0.05 -1.45 -2.70 116.97 119.02 3dby h TYR 132 Ca 0.11 -0.06 0.07 0.00 0.05 0.00 0.00 58.73 58.89 3dby h TYR 132 Cb 0.65 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 38.19 3dby h TYR 132 CO 0.05 0.55 -0.21 0.45 -1.05 0.00 0.00 178.16 177.94 3dby h HIS 133 N 0.26 -0.56 0.00 4.88 3.86 -1.25 0.31 115.15 122.64 3dby h HIS 133 Ca 0.08 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3dby h HIS 133 Cb 0.33 0.29 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 3dby h HIS 133 CO 0.02 -0.29 -0.05 -0.07 0.86 0.00 0.00 177.93 178.40 3dby h LEU 134 N -0.20 0.00 0.06 2.43 3.38 -1.27 -1.95 115.31 117.76 3dby h LEU 134 Ca 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.86 3dby h LEU 134 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3dby h LEU 134 CO -0.39 0.05 -1.39 0.58 0.09 0.00 0.00 178.44 177.37 3dby h VAL 135 N 0.00 0.94 0.00 1.22 2.07 -1.12 -3.44 116.25 115.93 3dby h VAL 135 Ca -0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3dby h VAL 135 Cb 0.13 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3dby h VAL 135 CO 0.01 0.58 -1.18 0.79 0.02 0.00 0.00 177.57 177.79 3dby n TRP 136 N -4.08 0.18 -0.01 1.57 7.02 0.10 -3.62 117.44 118.61 3dby n TRP 136 Ca -0.29 0.05 -0.17 0.00 -1.02 0.00 0.00 57.50 56.08 3dby n TRP 136 Cb 0.82 -0.37 -0.10 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 0.52 -1.09 -0.99 3.38 -1.55 -1.01 115.31 114.58 3dby h LEU 137 Ca 0.00 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 3dby h LEU 137 Cb 0.73 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3dby h LEU 137 CO 0.00 1.17 0.49 0.71 0.09 0.00 0.00 178.44 180.90 3dby h THR 138 N -0.08 1.23 -0.42 0.22 1.35 -1.79 -1.22 112.91 112.19 3dby h THR 138 Ca -0.06 -0.51 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 3dby h THR 138 Cb 1.23 0.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 3dby h THR 138 CO 0.11 0.24 0.22 -0.78 -0.25 0.00 0.00 175.52 175.06 3dby h ASP 139 N 1.13 0.33 -0.24 5.36 3.58 -1.60 -0.45 116.42 124.52 3dby h ASP 139 Ca 0.29 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 3dby h ASP 139 Cb -0.04 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3dby h ASP 139 CO -0.05 0.24 0.09 0.00 -2.88 0.00 0.00 179.24 176.63 3dby h ALA 140 N 1.21 0.32 -0.62 -0.78 0.00 -0.95 0.36 119.26 118.79 3dby h ALA 140 Ca 0.18 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3dby h ALA 140 Cb 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 3dby h ALA 140 CO -0.11 -0.07 0.11 0.00 0.00 0.00 0.00 179.25 179.17 3dby h ALA 141 N 0.92 0.72 -0.37 0.00 0.00 -1.13 -0.07 119.26 119.34 3dby h ALA 141 Ca 0.08 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3dby h ALA 141 Cb 0.21 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dby h ALA 141 CO -0.00 -0.33 -0.09 0.78 0.00 0.00 0.00 179.25 179.60 3dby h GLY 142 N 0.23 0.67 0.98 0.00 0.00 -0.79 0.38 103.07 104.54 3dby h GLY 142 Ca 0.33 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3dby h GLY 142 CO -0.45 0.43 -0.21 0.45 0.00 0.00 0.00 176.54 176.77 3dby h HIS 143 N 0.58 -0.54 -0.76 5.60 3.86 -0.19 -0.88 115.15 122.82 3dby h HIS 143 Ca 0.11 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3dby h HIS 143 Cb 0.50 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 3dby h HIS 143 CO 0.02 -0.32 0.43 0.00 0.86 0.00 0.00 177.93 178.92 3dby h ALA 144 N -0.04 0.97 0.00 2.45 0.00 -0.81 -1.60 119.26 120.23 3dby h ALA 144 Ca -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3dby h ALA 144 Cb 0.46 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dby h ALA 144 CO 0.10 0.47 -0.14 0.78 0.00 0.00 0.00 179.25 180.46 3dby h GLY 145 N 1.05 0.00 1.24 0.00 0.00 -0.17 -1.86 103.07 103.33 3dby h GLY 145 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.32 3dby h GLY 145 CO -0.05 0.00 -1.53 0.23 0.00 0.00 0.00 176.54 175.20 3dby h SER 146 N 0.00 0.06 0.31 0.19 0.87 -0.43 -2.04 113.55 112.51 3dby h SER 146 Ca -0.00 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3dby h SER 146 Cb 0.40 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3dby h SER 146 CO 0.02 1.09 -0.26 0.40 -0.53 0.00 0.00 176.83 177.55 3dby h ILE 147 N 0.01 0.46 -0.51 2.23 2.04 -1.02 -1.14 117.51 119.58 3dby h ILE 147 Ca -0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.72 3dby h ILE 147 Cb 1.95 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 38.39 3dby h ILE 147 CO 0.10 0.00 -0.41 0.28 0.00 0.00 0.00 178.15 178.12 3dby h SER 148 N -0.58 -1.41 0.66 1.72 0.02 -1.35 -2.00 113.55 110.61 3dby h SER 148 Ca -0.02 0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3dby h SER 148 Cb 0.51 0.64 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3dby h SER 148 CO -0.02 -0.34 -0.10 1.23 -1.14 0.00 0.00 176.83 176.46 3dby h GLY 149 N -0.26 0.00 -1.42 -3.77 0.00 -1.33 -3.00 103.07 93.30 3dby h GLY 149 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3dby h GLY 149 CO -0.64 0.00 -0.05 0.61 0.00 0.00 0.00 176.54 176.46 3dby n GLY 150 N -0.31 0.61 3.81 4.60 0.00 -0.44 -4.92 105.19 108.55 3dby n GLY 150 Ca -0.01 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.06 4.24 0.53 0.99 1.43 -0.81 -0.93 118.68 122.06 3dby s LEU 151 Ca 0.29 1.63 -0.20 0.00 -1.03 0.00 0.00 54.13 54.82 3dby s LEU 151 Cb 0.20 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 3dby s LEU 151 CO 0.34 -0.11 0.79 -0.67 0.23 0.00 0.00 176.35 176.93 3dby n ASP 152 N 0.29 0.13 -0.36 2.29 2.03 -0.65 -4.85 116.55 115.42 3dby n ASP 152 Ca 0.02 0.85 0.32 0.00 0.52 0.00 0.00 54.79 56.50 3dby n ASP 152 Cb 0.51 -1.28 0.66 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.69 0.18 0.00 -2.67 5.85 -1.96 -1.22 115.31 116.18 3dby h LEU 153 Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3dby h LEU 153 Cb 1.37 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3dby h LEU 153 CO 0.51 0.01 -0.31 1.33 -0.34 0.00 0.00 178.44 179.64 3dby n VAL 154 N -4.38 0.02 -1.55 1.05 0.24 -1.26 -4.37 118.33 108.08 3dby n VAL 154 Ca 0.28 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.34 62.17 3dby n VAL 154 Cb 1.19 -0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.53 4.00 0.17 7.34 -0.58 -0.46 -4.72 120.64 124.86 3dby n GLU 155 Ca 0.06 -2.63 -0.14 0.00 -0.42 0.00 0.00 57.16 54.02 3dby n GLU 155 Cb 0.34 -2.75 -0.08 0.00 -0.57 0.00 0.00 31.44 28.38 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 4.88 -0.37 -0.83 3.49 1.79 -1.83 -1.44 116.57 122.26 3dby h LYS 156 Ca 0.82 0.03 0.15 0.00 -2.18 0.00 0.00 60.65 59.46 3dby h LYS 156 Cb 0.29 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.93 3dby h LYS 156 CO 1.69 -0.16 0.40 0.00 -1.08 0.00 0.00 179.45 180.30 3dby h ARG 157 N -0.52 0.54 -0.27 3.15 2.47 -1.98 0.33 114.38 118.11 3dby h ARG 157 Ca -0.04 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.49 3dby h ARG 157 Cb 0.38 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3dby h ARG 157 CO 0.06 0.36 -0.48 -0.07 0.56 0.00 0.00 179.97 180.40 3dby h LEU 158 N 0.56 0.80 -0.52 3.04 3.38 -1.92 -2.29 115.31 118.35 3dby h LEU 158 Ca 0.46 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3dby h LEU 158 Cb 0.68 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3dby h LEU 158 CO -0.39 1.15 -0.09 0.11 0.09 0.00 0.00 178.44 179.31 3dby h LYS 159 N 0.58 0.98 -0.49 1.13 1.57 -0.95 -1.21 116.57 118.18 3dby h LYS 159 Ca 0.03 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.50 3dby h LYS 159 Cb 1.05 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 3dby h LYS 159 CO 0.10 1.03 0.23 0.93 -0.57 0.00 0.00 179.45 181.17 3dby h GLU 160 N 0.84 0.44 -0.36 3.15 5.08 -0.85 0.33 114.58 123.21 3dby h GLU 160 Ca 0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dby h GLU 160 Cb 0.65 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3dby h GLU 160 CO 0.04 0.29 0.16 -0.22 -1.00 0.00 0.00 179.01 178.29 3dby h LYS 161 N 0.45 0.53 0.00 2.33 1.63 -1.28 -1.71 116.57 118.53 3dby h LYS 161 Ca 0.22 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 3dby h LYS 161 Cb 0.15 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3dby h LYS 161 CO -0.17 0.50 -0.41 0.66 -3.45 0.00 0.00 179.45 176.58 3dby h SER 162 N 0.44 0.00 0.04 4.20 4.64 -0.81 -2.14 113.55 119.93 3dby h SER 162 Ca 0.12 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 3dby h SER 162 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3dby h SER 162 CO -0.01 0.41 -0.35 -0.33 -0.87 0.00 0.00 176.83 175.68 3dby h GLU 163 N 0.00 0.43 -0.43 4.77 5.08 -0.75 -1.26 114.58 122.43 3dby h GLU 163 Ca -0.00 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 3dby h GLU 163 Cb 0.99 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3dby h GLU 163 CO 0.05 0.73 -0.03 1.49 -1.00 0.00 0.00 179.01 180.25 3dby h GLU 164 N 0.37 0.78 -0.84 2.33 4.81 -0.70 -1.53 114.58 119.81 3dby h GLU 164 Ca 0.04 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3dby h GLU 164 Cb 0.79 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 3dby h GLU 164 CO 0.06 0.87 0.52 0.74 -0.73 0.00 0.00 179.01 180.47 3dby h PHE 165 N 0.62 1.09 -0.66 0.92 0.04 -1.23 -1.72 116.94 116.00 3dby h PHE 165 Ca 0.12 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3dby h PHE 165 Cb 0.54 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 3dby h PHE 165 CO 0.04 0.71 0.42 1.15 -0.60 0.00 0.00 178.31 180.04 3dby h THR 166 N 1.14 1.12 0.02 -1.55 2.02 -0.93 -1.39 112.91 113.33 3dby h THR 166 Ca 0.30 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3dby h THR 166 Cb -0.07 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3dby h THR 166 CO -0.06 0.15 -0.01 0.50 0.37 0.00 0.00 175.52 176.48 3dby h LYS 167 N 0.84 -0.02 -0.81 6.66 3.64 -1.11 -1.52 116.57 124.25 3dby h LYS 167 Ca 0.26 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.70 3dby h LYS 167 Cb -0.03 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 3dby h LYS 167 CO -0.08 0.16 0.49 0.45 -2.27 0.00 0.00 179.45 178.20 3dby h HIS 168 N -0.20 0.90 -0.42 1.91 3.86 -1.18 -0.80 115.15 119.22 3dby h HIS 168 Ca -0.00 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3dby h HIS 168 Cb 0.19 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3dby h HIS 168 CO -0.01 0.45 -0.27 0.74 0.86 0.00 0.00 177.93 179.69 3dby h PHE 169 N 0.89 1.04 -0.59 2.45 0.04 -1.15 -0.27 116.94 119.36 3dby h PHE 169 Ca 0.36 -0.27 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3dby h PHE 169 Cb 0.18 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 3dby h PHE 169 CO -0.04 1.06 0.36 0.93 -0.60 0.00 0.00 178.31 180.02 3dby h GLU 170 N 0.77 0.80 -0.68 1.51 5.08 -1.11 -1.10 114.58 119.85 3dby h GLU 170 Ca 0.09 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3dby h GLU 170 Cb 0.83 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3dby h GLU 170 CO 0.07 0.57 0.16 1.96 -1.00 0.00 0.00 179.01 180.77 3dby h GLN 171 N 0.80 1.10 -0.65 2.33 4.20 -1.01 -1.57 115.11 120.30 3dby h GLN 171 Ca 0.21 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.67 3dby h GLN 171 Cb -0.03 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 3dby h GLN 171 CO -0.04 0.98 0.42 0.74 -0.67 0.00 0.00 178.83 180.26 3dby h PHE 172 N 1.03 0.79 -0.37 2.96 0.04 -0.93 -2.31 116.94 118.14 3dby h PHE 172 Ca 0.21 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.04 3dby h PHE 172 Cb 0.38 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3dby h PHE 172 CO 0.03 0.47 0.14 -0.92 -0.60 0.00 0.00 178.31 177.43 3dby h TYR 173 N 0.84 0.25 -0.97 -0.55 3.20 -0.74 0.98 116.97 119.97 3dby h TYR 173 Ca 0.25 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3dby h TYR 173 Cb -0.04 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 3dby h TYR 173 CO -0.04 0.11 0.63 -0.07 -1.64 0.00 0.00 178.16 177.15 3dby h LEU 174 N 0.30 1.04 -0.39 2.82 3.38 -1.08 0.20 115.31 121.59 3dby h LEU 174 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3dby h LEU 174 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3dby h LEU 174 CO -0.16 0.70 0.04 0.50 0.09 0.00 0.00 178.44 179.61 3dby h LYS 175 N 1.21 0.66 -0.84 1.13 3.64 -0.99 -2.43 116.57 118.94 3dby h LYS 175 Ca 0.39 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3dby h LYS 175 Cb 0.04 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3dby h LYS 175 CO -0.13 0.73 0.56 0.00 -2.27 0.00 0.00 179.45 178.33 3dby h ALA 176 N 0.90 1.44 -0.68 5.00 0.00 -0.27 -1.02 119.26 124.64 3dby h ALA 176 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dby h ALA 176 Cb 0.41 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3dby h ALA 176 CO 0.01 0.49 0.34 0.28 0.00 0.00 0.00 179.25 180.38 3dby h VAL 177 N 1.09 1.22 -0.20 0.00 2.07 -0.74 -1.97 116.25 117.72 3dby h VAL 177 Ca 0.32 -0.59 -0.20 0.00 0.82 0.00 0.00 66.70 67.05 3dby h VAL 177 Cb -0.04 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3dby h VAL 177 CO -0.08 0.25 -0.65 -0.33 0.02 0.00 0.00 177.57 176.77 3dby h GLU 178 N 0.93 0.74 -0.25 1.57 4.39 -1.18 -2.93 114.58 117.86 3dby h GLU 178 Ca 0.23 -0.53 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 3dby h GLU 178 Cb 0.09 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3dby h GLU 178 CO -0.03 1.15 -0.20 0.52 -1.16 0.00 0.00 179.01 179.29 3dby h MET 179 N 0.54 0.44 -0.94 2.33 2.86 -0.97 -0.37 114.93 118.83 3dby h MET 179 Ca -0.02 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.54 3dby h MET 179 Cb 1.25 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.81 3dby h MET 179 CO 0.13 0.63 0.60 1.15 1.06 0.00 0.00 176.91 180.48 3dby h THR 180 N 0.40 1.07 -0.77 2.22 2.02 -1.36 -2.30 112.91 114.20 3dby h THR 180 Ca 0.07 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 3dby h THR 180 Cb 0.58 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3dby h THR 180 CO 0.04 0.20 0.26 1.23 0.37 0.00 0.00 175.52 177.62 3dby h GLY 181 N 1.09 1.27 1.69 2.16 0.00 -0.92 -2.10 103.07 106.26 3dby h GLY 181 Ca 0.41 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3dby h GLY 181 CO -0.17 0.69 0.14 -0.97 0.00 0.00 0.00 176.54 176.22 3dby h TYR 182 N 1.13 0.00 0.00 5.60 0.05 -0.72 -2.08 116.97 120.95 3dby h TYR 182 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 3dby h TYR 182 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3dby h TYR 182 CO 0.02 0.00 0.00 -0.07 -1.05 0.00 0.00 178.16 177.06 3dby h LEU 183 N 0.00 0.00 -1.90 3.88 3.38 -1.09 -1.99 115.31 117.59 3dby h LEU 183 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dby h LEU 183 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 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 0.12 114.38 117.18 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 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 -2.92 1.13 -0.84 2.04 -2.24 -0.75 -4.87 114.28 105.84 3dby n THR 185 Ca -0.01 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 3dby n THR 185 Cb 0.19 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 -2.00 -0.13 -2.99 -0.78 1.02 0.42 -4.98 120.64 111.19 3dby n GLU 186 Ca 0.01 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 3dby n GLU 186 Cb 0.11 -3.36 -0.06 0.00 -0.02 0.00 0.00 31.44 28.12 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 4.26 0.04 -4.62 2.96 -1.26 -4.94 118.68 115.12 3dby s LEU 187 Ca 0.00 -0.03 0.23 0.00 -0.22 0.00 0.00 54.13 54.10 3dby s LEU 187 Cb 0.00 -2.93 0.03 0.00 0.50 0.00 0.00 46.19 43.79 3dby s LEU 187 CO 0.00 -0.84 1.02 1.41 -1.32 0.00 0.00 176.35 176.62 3dby n HIS 188 N 6.54 0.20 -3.84 5.38 8.25 -1.26 -4.59 115.22 125.90 3dby n HIS 188 Ca 0.02 0.06 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 3dby n HIS 188 Cb 0.48 -0.37 -0.14 0.00 1.12 0.00 0.00 29.99 31.09 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 -3.17 -0.06 -0.05 4.41 3.76 -1.26 -5.05 115.29 113.87 3dby s HIS 189 Ca 0.04 0.16 -0.29 0.00 -0.15 0.00 0.00 55.06 54.82 3dby s HIS 189 Cb 0.15 -0.00 0.11 0.00 1.11 0.00 0.00 32.58 33.94 3dby s HIS 189 CO 0.81 -0.04 0.90 -0.59 -0.85 0.00 0.00 174.74 174.96 3dby s PHE 190 N 0.16 -0.39 0.38 1.40 -0.12 -1.26 -5.07 117.98 113.08 3dby s PHE 190 Ca -0.01 0.43 0.05 0.00 -0.05 0.00 0.00 56.93 57.35 3dby s PHE 190 Cb -0.02 0.50 0.75 0.00 -0.63 0.00 0.00 43.02 43.62 3dby s PHE 190 CO -0.00 -0.49 2.02 -1.35 -0.05 0.00 0.00 175.22 175.35 3dby h PRO 191 N 2.27 0.66 -0.26 1.99 0.11 -2.00 -2.19 132.00 132.57 3dby h PRO 191 Ca -0.22 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3dby h PRO 191 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3dby h PRO 191 CO 0.32 0.45 -0.05 0.00 -0.21 0.00 0.00 178.00 178.51 3dby h ALA 192 N 1.67 1.43 -0.04 -0.75 0.00 -1.99 -1.67 119.26 117.91 3dby h ALA 192 Ca 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3dby h ALA 192 Cb -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3dby h ALA 192 CO -0.04 0.40 -0.13 1.25 0.00 0.00 0.00 179.25 180.74 3dby h LEU 193 N 0.39 0.18 -0.52 0.00 5.85 -1.82 -0.38 115.31 119.01 3dby h LEU 193 Ca 0.08 -0.61 0.09 0.00 0.84 0.00 0.00 57.88 58.28 3dby h LEU 193 Cb 0.35 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 3dby h LEU 193 CO 0.01 0.76 0.12 0.11 -0.34 0.00 0.00 178.44 179.11 3dby h LYS 194 N -0.38 0.25 0.44 1.25 1.79 -1.39 -0.67 116.57 117.86 3dby h LYS 194 Ca -0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3dby h LYS 194 Cb 0.75 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 3dby h LYS 194 CO 0.03 0.16 -0.21 -0.22 -1.08 0.00 0.00 179.45 178.13 3dby h LYS 195 N 0.26 -0.57 -0.95 3.15 1.63 -1.32 -2.02 116.57 116.74 3dby h LYS 195 Ca 0.26 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.22 3dby h LYS 195 Cb 0.36 0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 31.98 3dby h LYS 195 CO -0.33 -0.36 -0.47 0.34 -3.45 0.00 0.00 179.45 175.18 3dby n PHE 196 N -5.33 -0.20 -0.06 1.91 7.35 -0.15 -0.86 117.46 120.11 3dby n PHE 196 Ca -0.11 1.17 0.02 0.00 -0.76 0.00 0.00 57.45 57.77 3dby n PHE 196 Cb 0.26 -0.71 0.33 0.00 0.35 0.00 0.00 39.48 39.71 3dby n PHE 196 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3dby h THR 197 N 0.00 1.16 0.02 -2.13 2.02 -0.96 -0.40 112.91 112.62 3dby h THR 197 Ca 0.24 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3dby h THR 197 Cb 0.47 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3dby h THR 197 CO -0.91 0.18 -0.01 0.11 0.37 0.00 0.00 175.52 175.26 3dby h LYS 198 N 0.68 -0.02 -0.62 6.66 1.57 -0.48 -0.72 116.57 123.64 3dby h LYS 198 Ca 0.17 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.04 3dby h LYS 198 Cb 0.04 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 3dby h LYS 198 CO -0.03 0.20 0.26 -0.44 -0.57 0.00 0.00 179.45 178.87 3dby h ASP 199 N -0.25 0.29 -0.35 0.86 3.32 -0.55 -1.46 116.42 118.28 3dby h ASP 199 Ca -0.00 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3dby h ASP 199 Cb 0.24 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3dby h ASP 199 CO 0.00 0.18 0.21 0.58 -1.72 0.00 0.00 179.24 178.49 3dby h VAL 200 N 0.46 1.12 -0.75 -1.35 2.07 -1.04 -1.69 116.25 115.07 3dby h VAL 200 Ca 0.30 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3dby h VAL 200 Cb 0.34 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3dby h VAL 200 CO -0.28 0.12 0.49 0.28 0.02 0.00 0.00 177.57 178.21 3dby h SER 201 N 0.46 0.82 -0.68 0.57 0.02 -0.64 0.29 113.55 114.38 3dby h SER 201 Ca 0.13 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3dby h SER 201 Cb 0.02 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3dby h SER 201 CO -0.02 0.58 0.35 0.25 -1.14 0.00 0.00 176.83 176.84 3dby h LEU 202 N 0.97 0.88 -1.14 5.07 5.85 -1.15 -1.28 115.31 124.51 3dby h LEU 202 Ca 0.29 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3dby h LEU 202 Cb -0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3dby h LEU 202 CO -0.09 0.75 0.09 -0.08 -0.34 0.00 0.00 178.44 178.77 3dby h GLU 203 N 0.94 0.69 -0.21 1.25 4.57 -0.33 -1.65 114.58 119.84 3dby h GLU 203 Ca 0.24 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 58.15 3dby h GLU 203 Cb 0.09 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3dby h GLU 203 CO -0.03 0.65 -0.44 -0.07 -1.18 0.00 0.00 179.01 177.94 3dby h LEU 204 N 0.67 0.55 0.30 1.64 3.38 -0.65 -1.00 115.31 120.19 3dby h LEU 204 Ca 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dby h LEU 204 Cb 0.29 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3dby h LEU 204 CO 0.00 0.91 -0.31 0.11 0.09 0.00 0.00 178.44 179.24 3dby h LYS 205 N 0.42 -0.62 -0.91 1.13 6.56 -0.73 0.10 116.57 122.52 3dby h LYS 205 Ca 0.03 0.04 0.16 0.00 -1.06 0.00 0.00 60.65 59.82 3dby h LYS 205 Cb 0.93 0.14 -0.10 0.00 -0.57 0.00 0.00 32.23 32.64 3dby h LYS 205 CO 0.08 -0.42 0.51 -0.07 -2.06 0.00 0.00 179.45 177.49 3dby h LEU 206 N -0.65 0.64 -0.39 2.94 3.38 -1.19 -2.57 115.31 117.47 3dby h LEU 206 Ca -0.01 0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 3dby h LEU 206 Cb 0.59 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3dby h LEU 206 CO -0.07 0.27 -0.58 0.15 0.09 0.00 0.00 178.44 178.29 3dby h PHE 207 N 0.70 0.88 -0.38 1.13 3.57 -1.03 -2.03 116.94 119.78 3dby h PHE 207 Ca 0.50 -0.32 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3dby h PHE 207 Cb 0.70 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3dby h PHE 207 CO -0.06 1.10 0.22 0.77 -2.23 0.00 0.00 178.31 178.11 3dby h SER 208 N 0.52 0.35 -0.49 0.41 0.02 -0.71 0.28 113.55 113.93 3dby h SER 208 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3dby h SER 208 Cb 1.16 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 3dby h SER 208 CO 0.12 0.25 0.14 0.45 -1.14 0.00 0.00 176.83 176.65 3dby h HIS 209 N 0.44 0.23 -0.85 3.45 3.86 -1.36 -0.35 115.15 120.58 3dby h HIS 209 Ca 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3dby h HIS 209 Cb 0.01 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3dby h HIS 209 CO -0.08 0.05 0.54 0.35 0.86 0.00 0.00 177.93 179.65 3dby h PHE 210 N 0.29 1.10 -0.46 2.45 3.57 -0.72 -1.33 116.94 121.84 3dby h PHE 210 Ca 0.24 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 3dby h PHE 210 Cb 0.29 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3dby h PHE 210 CO -0.19 0.71 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.43 3dby h LEU 211 N 1.16 0.83 -0.73 0.59 3.38 0.12 -1.25 115.31 119.40 3dby h LEU 211 Ca 0.31 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3dby h LEU 211 Cb -0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3dby h LEU 211 CO -0.06 0.95 0.06 -0.74 0.09 0.00 0.00 178.44 178.74 3dby h HIS 212 N 0.76 1.10 -0.38 1.13 2.76 -0.78 -0.62 115.15 119.11 3dby h HIS 212 Ca 0.13 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3dby h HIS 212 Cb 0.60 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 3dby h HIS 212 CO 0.03 0.95 0.22 0.93 -1.30 0.00 0.00 177.93 178.76 3dby h GLU 213 N 0.96 0.52 -0.48 5.26 5.08 -0.98 -1.07 114.58 123.88 3dby h GLU 213 Ca 0.19 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3dby h GLU 213 Cb 0.47 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3dby h GLU 213 CO 0.02 0.41 0.09 0.28 -1.00 0.00 0.00 179.01 178.80 3dby h VAL 214 N 0.49 1.25 -0.50 3.13 2.07 -1.06 0.11 116.25 121.74 3dby h VAL 214 Ca 0.14 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3dby h VAL 214 Cb 0.03 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3dby h VAL 214 CO -0.02 0.32 0.20 -0.08 0.02 0.00 0.00 177.57 178.00 3dby h GLU 215 N 0.65 0.38 -0.36 1.57 4.81 -0.98 0.34 114.58 120.99 3dby h GLU 215 Ca 0.15 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3dby h GLU 215 Cb 0.37 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3dby h GLU 215 CO 0.01 0.25 -0.20 0.93 -0.73 0.00 0.00 179.01 179.27 3dby h GLU 216 N 0.39 0.69 -0.63 1.92 4.39 -0.79 0.54 114.58 121.08 3dby h GLU 216 Ca 0.24 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3dby h GLU 216 Cb 0.23 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3dby h GLU 216 CO -0.22 0.84 0.21 -0.07 -1.16 0.00 0.00 179.01 178.61 3dby h LEU 217 N 0.61 0.91 -0.46 1.33 3.38 0.05 -2.29 115.31 118.84 3dby h LEU 217 Ca 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3dby h LEU 217 Cb 0.68 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3dby h LEU 217 CO 0.05 0.86 0.16 -0.33 0.09 0.00 0.00 178.44 179.27 3dby h GLU 218 N 0.90 0.70 -0.42 1.13 4.39 0.03 0.70 114.58 122.01 3dby h GLU 218 Ca 0.21 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.79 3dby h GLU 218 Cb 0.27 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3dby h GLU 218 CO -0.01 0.65 0.28 -0.07 -1.16 0.00 0.00 179.01 178.71 3dby h LEU 219 N 0.60 0.42 -1.88 1.33 3.38 -0.78 -1.97 115.31 116.40 3dby h LEU 219 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dby h LEU 219 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dby h LEU 219 CO -0.01 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 177.28 3dby n SER 220 N -4.48 2.87 -2.16 -0.43 3.41 -0.87 -4.94 113.62 107.02 3dby n SER 220 Ca 0.04 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.54 3dby n SER 220 Cb 0.12 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.18 -5.35 -0.12 4.04 3.02 -0.58 -4.87 115.26 112.57 3dby n ASN 221 Ca 0.17 0.16 0.14 0.00 -0.03 0.00 0.00 54.58 55.02 3dby n ASN 221 Cb 0.55 -4.55 0.56 0.00 -0.61 0.00 0.00 39.78 35.72 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 -2.76 0.62 -4.90 3.52 1.02 0.14 -4.83 120.64 113.45 3dby n GLU 222 Ca -0.22 -0.24 -0.28 0.00 -0.02 0.00 0.00 57.16 56.41 3dby n GLU 222 Cb 0.66 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.54 1.84 -0.24 2.62 0.11 -1.22 -5.02 120.40 115.95 3dby s VAL 223 Ca 0.26 -1.16 -0.12 0.00 -2.93 0.00 0.00 61.98 58.03 3dby s VAL 223 Cb 0.20 -1.57 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 3dby s VAL 223 CO 0.50 0.37 0.23 -0.76 -3.33 0.00 0.00 175.10 172.11 3dby s LEU 224 N -0.94 4.11 -0.11 2.54 1.43 -1.26 -4.87 118.68 119.58 3dby s LEU 224 Ca 0.09 0.21 -0.33 0.00 -1.03 0.00 0.00 54.13 53.07 3dby s LEU 224 Cb -0.09 -2.22 0.13 0.00 0.03 0.00 0.00 46.19 44.03 3dby s LEU 224 CO 0.01 0.00 1.22 -0.94 0.23 0.00 0.00 176.35 176.87 3dby s SER 225 N 1.17 -0.11 -0.25 2.29 1.04 -1.26 -1.64 113.70 114.93 3dby s SER 225 Ca 0.11 -0.07 0.14 0.00 0.48 0.00 0.00 55.95 56.61 3dby s SER 225 Cb -0.14 0.17 0.72 0.00 0.10 0.00 0.00 66.02 66.87 3dby s SER 225 CO 0.06 -0.29 1.67 1.33 0.98 0.00 0.00 173.24 176.99 3dby n VAL 226 N -0.26 2.69 -2.37 5.02 0.24 -0.11 -4.93 118.33 118.61 3dby n VAL 226 Ca -0.04 -1.63 -0.22 0.00 -2.04 0.00 0.00 64.34 60.41 3dby n VAL 226 Cb 0.60 -0.29 0.13 0.00 -1.47 0.00 0.00 33.84 32.81 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 0.09 0.00 -4.01 1.34 4.77 -1.26 -5.04 117.00 112.90 3dby n LEU 227 Ca 0.29 -1.74 -0.08 0.00 -0.03 0.00 0.00 56.01 54.45 3dby n LEU 227 Cb 1.16 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3dby n LEU 227 CO 0.30 -1.05 -0.32 -0.94 -1.33 0.00 0.00 177.39 174.06 3dby s SER 228 N -4.85 0.32 0.34 -1.43 1.04 -1.26 -5.03 113.70 102.83 3dby s SER 228 Ca 0.62 -0.70 0.08 0.00 0.48 0.00 0.00 55.95 56.42 3dby s SER 228 Cb -0.03 0.18 0.77 0.00 0.10 0.00 0.00 66.02 67.04 3dby s SER 228 CO 0.42 -0.48 1.84 0.00 0.98 0.00 0.00 173.24 176.00 3dby h ALA 229 N 3.78 1.77 -0.35 5.32 0.00 -1.87 -2.56 119.26 125.36 3dby h ALA 229 Ca -0.33 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3dby h ALA 229 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3dby h ALA 229 CO 0.53 -0.04 -0.22 -0.09 0.00 0.00 0.00 179.25 179.43 3dby h ARG 230 N 0.75 0.67 -0.49 0.00 2.43 -1.95 -0.76 114.38 115.02 3dby h ARG 230 Ca 0.49 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3dby h ARG 230 Cb 0.75 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3dby h ARG 230 CO -0.25 0.84 -0.10 1.98 -1.51 0.00 0.00 179.97 180.93 3dby h MET 231 N 0.59 0.93 -0.41 0.20 4.05 -1.89 -1.00 114.93 117.41 3dby h MET 231 Ca 0.09 -0.35 -0.04 0.00 -0.28 0.00 0.00 59.70 59.12 3dby h MET 231 Cb 0.69 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 3dby h MET 231 CO 0.05 1.01 0.10 0.00 0.23 0.00 0.00 176.91 178.30 3dby h ALA 232 N 0.90 0.54 -0.25 0.39 0.00 -1.15 -1.13 119.26 118.56 3dby h ALA 232 Ca 0.13 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3dby h ALA 232 Cb 0.65 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3dby h ALA 232 CO 0.04 0.22 -0.09 0.22 0.00 0.00 0.00 179.25 179.64 3dby h ASP 233 N 0.52 -0.31 -0.21 0.00 3.58 -1.08 -1.45 116.42 117.47 3dby h ASP 233 Ca 0.13 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.71 3dby h ASP 233 Cb 0.31 0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.50 3dby h ASP 233 CO 0.00 -0.12 -0.09 -0.74 -2.88 0.00 0.00 179.24 175.41 3dby h HIS 234 N -0.04 -0.22 -0.70 0.28 2.76 -0.98 0.01 115.15 116.25 3dby h HIS 234 Ca 0.13 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 3dby h HIS 234 Cb 0.23 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 3dby h HIS 234 CO -0.28 -0.15 0.41 0.52 -1.30 0.00 0.00 177.93 177.14 3dby h MET 235 N -0.07 0.75 -0.56 5.26 2.86 -1.04 -1.90 114.93 120.24 3dby h MET 235 Ca 0.11 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 3dby h MET 235 Cb 0.24 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3dby h MET 235 CO -0.26 0.49 -0.01 0.00 1.06 0.00 0.00 176.91 178.20 3dby h ALA 236 N 1.34 0.92 -0.60 6.32 0.00 -0.84 -0.48 119.26 125.92 3dby h ALA 236 Ca 0.31 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3dby h ALA 236 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dby h ALA 236 CO -0.16 0.64 0.08 0.00 0.00 0.00 0.00 179.25 179.81 3dby h ARG 237 N 0.89 1.01 -0.72 0.00 3.08 -0.74 -1.45 114.38 116.43 3dby h ARG 237 Ca 0.16 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3dby h ARG 237 Cb 0.54 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3dby h ARG 237 CO 0.03 0.95 0.31 0.93 -1.07 0.00 0.00 179.97 181.12 3dby h GLU 238 N 0.91 1.07 -0.39 0.04 5.08 -1.20 -1.90 114.58 118.19 3dby h GLU 238 Ca 0.18 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3dby h GLU 238 Cb 0.45 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3dby h GLU 238 CO 0.01 0.87 -0.04 0.93 -1.00 0.00 0.00 179.01 179.78 3dby h GLU 239 N 1.03 0.64 0.11 2.33 4.39 -0.86 -1.83 114.58 120.39 3dby h GLU 239 Ca 0.24 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3dby h GLU 239 Cb 0.18 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3dby h GLU 239 CO -0.02 0.69 -0.05 0.00 -1.16 0.00 0.00 179.01 178.46 3dby h TYR 241 N -0.34 0.58 -0.04 0.00 3.20 -1.19 0.11 116.97 119.28 3dby h TYR 241 Ca -0.01 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3dby h TYR 241 Cb 0.28 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3dby h TYR 241 CO -0.01 0.10 -0.04 -0.92 -1.64 0.00 0.00 178.16 175.66 3dby h TYR 242 N 0.49 -0.09 -0.60 -3.82 3.20 -1.25 -0.52 116.97 114.39 3dby h TYR 242 Ca 0.42 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.38 3dby h TYR 242 Cb 0.62 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.86 3dby h TYR 242 CO -0.14 -0.06 0.25 -0.07 -1.64 0.00 0.00 178.16 176.50 3dby h LEU 243 N -0.05 0.28 -0.32 2.82 3.38 -0.51 -1.06 115.31 119.85 3dby h LEU 243 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dby h LEU 243 Cb 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dby h LEU 243 CO -0.07 0.17 0.17 0.25 0.09 0.00 0.00 178.44 179.05 3dby h LEU 244 N 0.45 0.41 -1.45 1.67 5.85 -0.47 0.29 115.31 122.05 3dby h LEU 244 Ca 0.30 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3dby h LEU 244 Cb 0.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3dby h LEU 244 CO -0.28 0.39 -0.24 0.11 -0.34 0.00 0.00 178.44 178.09 3dby h LYS 245 N 0.40 0.05 -0.19 1.25 1.79 -0.75 -0.67 116.57 118.45 3dby h LYS 245 Ca 0.11 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.48 3dby h LYS 245 Cb 0.08 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3dby h LYS 245 CO -0.02 0.29 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.36 3dby h LEU 246 N 0.05 0.51 -0.27 2.94 3.38 -0.77 0.08 115.31 121.23 3dby h LEU 246 Ca 0.01 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3dby h LEU 246 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dby h LEU 246 CO 0.03 0.90 0.14 0.00 0.09 0.00 0.00 178.44 179.60 3dby h ALA 247 N 0.63 0.34 -0.31 1.53 0.00 -0.30 0.59 119.26 121.75 3dby h ALA 247 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3dby h ALA 247 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3dby h ALA 247 CO 0.05 -0.12 -0.13 1.96 0.00 0.00 0.00 179.25 181.02 3dby h GLN 248 N 0.31 0.63 -0.09 0.00 4.20 -1.18 0.73 115.11 119.71 3dby h GLN 248 Ca 0.09 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 3dby h GLN 248 Cb 0.08 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3dby h GLN 248 CO -0.01 0.84 -0.42 0.66 -0.67 0.00 0.00 178.83 179.23 3dby h SER 249 N 0.39 0.21 0.00 1.46 4.64 -0.82 -3.30 113.55 116.13 3dby h SER 249 Ca 0.07 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3dby h SER 249 Cb 0.64 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3dby h SER 249 CO 0.04 0.61 -0.72 -0.24 -0.87 0.00 0.00 176.83 175.65 3dby n SER 250 N -4.02 0.72 -1.61 4.97 2.88 0.19 -4.65 113.62 112.11 3dby n SER 250 Ca -0.02 -0.78 -0.04 0.00 -1.33 0.00 0.00 58.87 56.70 3dby n SER 250 Cb 0.48 1.04 0.02 0.00 -0.75 0.00 0.00 64.21 65.00 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 0.30 3.82 0.46 0.00 -0.21 -5.04 105.19 105.87 3dby n GLY 251 Ca 0.02 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.08 3.27 0.38 0.99 1.43 0.08 -5.03 118.68 116.72 3dby s LEU 252 Ca 0.02 -0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 51.97 3dby s LEU 252 Cb -0.00 -1.79 -0.11 0.00 0.03 0.00 0.00 46.19 44.32 3dby s LEU 252 CO 0.16 -0.60 1.09 1.21 0.23 0.00 0.00 176.35 178.45 3dby n GLU 253 N -1.41 1.56 -2.28 1.70 2.13 -1.26 -4.62 120.64 116.46 3dby n GLU 253 Ca 0.01 0.56 -0.40 0.00 0.66 0.00 0.00 57.16 57.99 3dby n GLU 253 Cb 0.63 -2.10 -0.03 0.00 0.27 0.00 0.00 31.44 30.21 3dby n GLU 253 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3dby s MET 254 N -1.93 4.43 0.55 5.31 -1.94 -1.26 -4.77 119.30 119.69 3dby s MET 254 Ca 0.61 2.01 -0.17 0.00 -1.71 0.00 0.00 55.69 56.42 3dby s MET 254 Cb -0.58 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.14 3dby s MET 254 CO 0.59 -0.05 1.05 -1.25 -0.01 0.00 0.00 175.02 175.35 3dby s PRO 255 N -1.72 3.51 -1.06 2.03 0.04 -1.26 -4.97 135.00 131.56 3dby s PRO 255 Ca 0.48 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 3dby s PRO 255 Cb -0.36 -2.06 0.29 0.00 0.04 0.00 0.00 34.50 32.42 3dby s PRO 255 CO 0.46 -0.66 1.28 1.63 0.04 0.00 0.00 177.00 179.76 3dby n LYS 256 N -1.65 3.96 -3.72 4.56 5.02 -1.26 -4.94 118.16 120.13 3dby n LYS 256 Ca 0.09 -4.53 -0.10 0.00 -2.02 0.00 0.00 58.31 51.75 3dby n LYS 256 Cb 0.53 -2.51 -0.05 0.00 -0.02 0.00 0.00 35.03 32.98 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 -2.85 5.32 0.19 0.00 3.84 -1.26 -4.96 114.94 115.20 3dby s ASN 258 Ca 0.07 -0.97 0.18 0.00 0.21 0.00 0.00 52.86 52.35 3dby s ASN 258 Cb 0.01 -1.90 0.83 0.00 -0.55 0.00 0.00 41.25 39.65 3dby s ASN 258 CO -0.07 -0.29 1.56 -2.65 -2.79 0.00 0.00 177.10 172.86 3dby n PRO 259 N 4.86 0.12 -0.03 0.43 -0.02 -1.26 -3.55 135.00 135.55 3dby n PRO 259 Ca -0.13 0.44 -0.05 0.00 -2.02 0.00 0.00 63.50 61.74 3dby n PRO 259 Cb 0.46 -1.77 -0.13 0.00 -0.02 0.00 0.00 33.50 32.04 3dby n PRO 259 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dby n LEU 260 N -2.00 0.59 -3.64 2.45 4.77 -1.26 -4.73 117.00 113.19 3dby n LEU 260 Ca 0.01 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.22 3dby n LEU 260 Cb 0.15 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3dby n LEU 260 CO 0.14 0.32 0.60 -0.70 -1.33 0.00 0.00 177.39 176.42 3dby s GLU 261 N -2.72 0.48 0.80 3.23 2.12 -1.23 -4.92 118.70 116.47 3dby s GLU 261 Ca -0.06 0.79 -0.09 0.00 0.36 0.00 0.00 54.97 55.98 3dby s GLU 261 Cb 0.08 0.12 0.12 0.00 0.26 0.00 0.00 34.13 34.72 3dby s GLU 261 CO 0.83 -0.09 1.13 0.20 -0.54 0.00 0.00 175.26 176.78 3dby s GLY 262 N 1.23 1.73 0.32 -1.50 0.00 -1.26 -4.60 107.32 103.24 3dby s GLY 262 Ca -0.07 -1.18 0.26 0.00 0.00 0.00 0.00 44.72 43.72 3dby s GLY 262 CO -0.14 -0.61 1.77 1.12 0.00 0.00 0.00 173.10 175.24 3dby h HIS 263 N -0.97 0.00 0.00 1.90 2.07 -1.99 -3.37 115.15 112.79 3dby h HIS 263 Ca -0.43 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.03 3dby h HIS 263 Cb 1.28 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.25 3dby h HIS 263 CO -0.29 0.00 -1.25 1.58 -3.07 0.00 0.00 177.93 174.90 3dby n HIS 264 N -2.46 0.00 -2.61 6.12 -0.00 -1.26 -4.90 115.22 110.10 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 0.30 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.99 30.11 3dby n HIS 264 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3dby s HIS 265 N -2.09 2.74 0.03 1.57 3.76 -1.26 -4.83 115.29 115.21 3dby s HIS 265 Ca -0.06 -1.32 -0.28 0.00 -0.15 0.00 0.00 55.06 53.25 3dby s HIS 265 Cb 0.01 -4.68 0.10 0.00 1.11 0.00 0.00 32.58 29.12 3dby s HIS 265 CO 0.11 -1.82 1.05 -3.38 -0.85 0.00 0.00 174.74 169.85 3dby s HIS 266 N 4.30 -0.16 -0.19 1.40 -0.00 -1.26 -4.51 115.29 114.87 3dby s HIS 266 Ca 0.49 -0.02 0.12 0.00 -0.00 0.00 0.00 55.06 55.65 3dby s HIS 266 Cb 0.01 0.58 0.42 0.00 -0.00 0.00 0.00 32.58 33.59 3dby s HIS 266 CO -0.01 -0.55 1.22 0.72 -0.00 0.00 0.00 174.74 176.12 3dby n HIS 267 N -0.37 0.00 0.65 0.38 8.25 -1.26 -5.18 115.22 117.69 3dby n HIS 267 Ca -0.06 -1.42 0.08 0.00 -0.26 0.00 0.00 57.72 56.05 3dby n HIS 267 Cb 0.61 -0.24 0.07 0.00 1.12 0.00 0.00 29.99 31.54 3dby n HIS 267 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59