#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ury s LEU 19 N 0.00 4.33 0.90 -4.62 1.02 -1.26 -5.07 118.68 113.98 1ury s LEU 19 Ca 0.00 1.32 -0.11 0.00 0.02 0.00 0.00 54.13 55.36 1ury s LEU 19 Cb 0.00 -3.22 0.13 0.00 0.02 0.00 0.00 46.19 43.12 1ury s LEU 19 CO 0.00 -0.16 1.09 -0.94 0.02 0.00 0.00 176.35 176.36 1ury s SER 20 N 0.86 3.43 0.26 2.29 1.04 -1.26 -4.74 113.70 115.59 1ury s SER 20 Ca 0.42 1.52 -0.02 0.00 0.48 0.00 0.00 55.95 58.34 1ury s SER 20 Cb -0.19 -2.20 0.42 0.00 0.10 0.00 0.00 66.02 64.15 1ury s SER 20 CO 0.21 -2.67 1.86 -0.08 0.98 0.00 0.00 173.24 173.54 1ury h GLU 21 N -1.57 1.06 -0.29 4.02 4.81 -1.99 0.52 114.58 121.14 1ury h GLU 21 Ca -0.49 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 1ury h GLU 21 Cb 1.28 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1ury h GLU 21 CO 0.54 0.70 -0.16 0.00 -0.73 0.00 0.00 179.01 179.36 1ury h ALA 22 N 1.46 1.19 -0.02 2.92 0.00 -1.99 -1.43 119.26 121.38 1ury h ALA 22 Ca 0.43 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1ury h ALA 22 Cb 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ury h ALA 22 CO -0.19 0.52 -0.94 0.93 0.00 0.00 0.00 179.25 179.57 1ury h GLU 23 N 0.46 0.53 -0.29 0.00 5.08 -1.76 -2.49 114.58 116.12 1ury h GLU 23 Ca 0.08 -0.54 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1ury h GLU 23 Cb 0.55 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1ury h GLU 23 CO 0.04 1.17 0.04 -0.09 -1.00 0.00 0.00 179.01 179.16 1ury h ARG 24 N 0.31 0.13 -0.26 2.33 2.43 -0.65 -2.25 114.38 116.42 1ury h ARG 24 Ca -0.09 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.90 1ury h ARG 24 Cb 1.57 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1ury h ARG 24 CO 0.17 0.09 -0.54 0.87 -1.51 0.00 0.00 179.97 179.05 1ury h LYS 25 N 0.14 0.79 -0.19 0.20 1.57 -1.29 -0.62 116.57 117.18 1ury h LYS 25 Ca 0.14 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1ury h LYS 25 Cb 0.15 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1ury h LYS 25 CO -0.19 1.13 -0.06 0.00 -0.57 0.00 0.00 179.45 179.76 1ury h ALA 26 N 0.77 0.11 -0.24 3.86 0.00 -1.35 -0.60 119.26 121.81 1ury h ALA 26 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ury h ALA 26 Cb 1.14 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1ury h ALA 26 CO 0.12 -0.49 0.12 0.28 0.00 0.00 0.00 179.25 179.27 1ury h VAL 27 N -0.02 1.15 -0.12 0.00 2.07 -1.31 -2.60 116.25 115.42 1ury h VAL 27 Ca 0.09 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1ury h VAL 27 Cb 0.16 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1ury h VAL 27 CO -0.21 0.15 -0.18 1.56 0.02 0.00 0.00 177.57 178.91 1ury h GLN 28 N 0.26 0.20 -0.29 1.57 4.20 -0.84 0.11 115.11 120.31 1ury h GLN 28 Ca 0.08 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 1ury h GLN 28 Cb 0.13 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1ury h GLN 28 CO -0.01 0.38 -0.51 0.00 -0.67 0.00 0.00 178.83 178.03 1ury h ALA 29 N 1.63 0.55 0.03 3.87 0.00 -1.01 -1.74 119.26 122.59 1ury h ALA 29 Ca 0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ury h ALA 29 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ury h ALA 29 CO 0.03 0.68 -0.02 0.52 0.00 0.00 0.00 179.25 180.46 1ury h MET 30 N 0.65 -0.04 -0.91 0.00 2.86 -1.00 -2.81 114.93 113.68 1ury h MET 30 Ca 0.03 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.91 1ury h MET 30 Cb 1.10 0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.63 1ury h MET 30 CO 0.11 0.65 0.38 2.35 1.06 0.00 0.00 176.91 181.46 1ury h TRP 31 N -0.85 0.61 -0.57 -0.22 2.91 -0.90 -1.40 115.95 115.54 1ury h TRP 31 Ca -0.00 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 1ury h TRP 31 Cb 0.71 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 1ury h TRP 31 CO 0.18 -0.11 0.11 0.00 -1.03 0.00 0.00 178.44 177.59 1ury h ALA 32 N 1.75 0.75 -0.80 2.65 0.00 -1.26 0.46 119.26 122.82 1ury h ALA 32 Ca 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ury h ALA 32 Cb 1.17 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ury h ALA 32 CO -0.58 0.48 0.43 0.00 0.00 0.00 0.00 179.25 179.59 1ury h ARG 33 N 0.83 1.12 -0.46 0.00 3.08 -1.14 -2.68 114.38 115.13 1ury h ARG 33 Ca 0.18 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1ury h ARG 33 Cb 0.39 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1ury h ARG 33 CO 0.01 0.83 0.22 -0.07 -1.07 0.00 0.00 179.97 179.90 1ury h LEU 34 N 1.11 0.61 -1.11 3.04 4.07 -0.56 -3.15 115.31 119.32 1ury h LEU 34 Ca 0.28 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1ury h LEU 34 Cb 0.05 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 1ury h LEU 34 CO -0.04 0.56 -0.12 0.22 -1.08 0.00 0.00 178.44 177.98 1ury h TYR 35 N 0.61 0.00 -0.04 1.13 3.20 0.01 -1.95 116.97 119.92 1ury h TYR 35 Ca 0.16 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1ury h TYR 35 Cb 0.12 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1ury h TYR 35 CO -0.01 0.12 0.03 0.00 -1.64 0.00 0.00 178.16 176.66 1ury h ALA 36 N 1.88 2.01 -0.99 1.82 0.00 -1.43 -1.84 119.26 120.72 1ury h ALA 36 Ca -0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1ury h ALA 36 Cb 0.69 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.09 1ury h ALA 36 CO 0.02 -0.05 -0.45 -1.71 0.00 0.00 0.00 179.25 177.05 1ury n ASN 37 N -4.48 5.41 -0.15 0.00 5.15 -0.75 -4.91 115.26 115.53 1ury n ASN 37 Ca -0.02 -3.75 -0.04 0.00 -0.60 0.00 0.00 54.58 50.17 1ury n ASN 37 Cb 0.13 -0.50 0.05 0.00 -0.53 0.00 0.00 39.78 38.93 1ury n ASN 37 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1ury h SER 38 N 2.30 0.19 -0.05 1.20 0.87 -1.22 -1.35 113.55 115.50 1ury h SER 38 Ca 0.40 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 1ury h SER 38 Cb 1.20 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1ury h SER 38 CO 0.94 0.14 -0.01 -0.08 -0.53 0.00 0.00 176.83 177.29 1ury h GLU 39 N 0.35 0.09 -0.32 2.24 4.81 -1.89 -1.88 114.58 117.98 1ury h GLU 39 Ca 0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1ury h GLU 39 Cb 0.22 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1ury h GLU 39 CO -0.22 0.42 0.16 -0.44 -0.73 0.00 0.00 179.01 178.19 1ury h ASP 40 N -0.25 0.42 -0.10 1.04 3.45 -1.89 -2.30 116.42 116.78 1ury h ASP 40 Ca 0.01 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 1ury h ASP 40 Cb 0.38 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1ury h ASP 40 CO 0.00 0.43 0.05 0.58 -1.57 0.00 0.00 179.24 178.73 1ury h VAL 41 N 0.39 1.12 -0.91 -1.35 2.07 -1.25 -1.29 116.25 115.03 1ury h VAL 41 Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ury h VAL 41 Cb 0.11 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1ury h VAL 41 CO -0.01 0.11 0.53 1.23 0.02 0.00 0.00 177.57 179.45 1ury h GLY 42 N 0.03 1.33 1.05 2.17 0.00 -1.32 -1.92 103.07 104.41 1ury h GLY 42 Ca 0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.66 1ury h GLY 42 CO -0.00 0.55 -0.31 -2.08 0.00 0.00 0.00 176.54 174.69 1ury h VAL 43 N 1.26 1.28 -0.25 4.60 2.07 -1.26 -2.07 116.25 121.88 1ury h VAL 43 Ca 0.32 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1ury h VAL 43 Cb -0.03 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1ury h VAL 43 CO -0.06 0.49 0.06 0.00 0.02 0.00 0.00 177.57 178.08 1ury h ALA 44 N 0.76 1.63 -0.02 1.67 0.00 -0.98 -0.09 119.26 122.23 1ury h ALA 44 Ca 0.06 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1ury h ALA 44 Cb 0.89 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ury h ALA 44 CO 0.08 0.28 -0.87 0.82 0.00 0.00 0.00 179.25 179.56 1ury h ILE 45 N 0.36 1.32 -0.42 0.00 2.04 -1.17 -2.40 117.51 117.24 1ury h ILE 45 Ca 0.09 -2.15 -0.12 0.00 1.00 0.00 0.00 64.86 63.68 1ury h ILE 45 Cb 0.15 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1ury h ILE 45 CO -0.00 0.66 -0.22 -0.07 0.00 0.00 0.00 178.15 178.52 1ury h LEU 46 N 0.25 0.86 -0.10 1.44 4.07 -1.02 -0.61 115.31 120.21 1ury h LEU 46 Ca -0.10 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.53 1ury h LEU 46 Cb 1.54 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 1ury h LEU 46 CO 0.17 1.04 -0.00 0.58 -1.08 0.00 0.00 178.44 179.15 1ury h VAL 47 N 0.73 1.26 -0.65 1.22 2.07 -1.07 0.58 116.25 120.39 1ury h VAL 47 Ca 0.10 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1ury h VAL 47 Cb 0.75 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1ury h VAL 47 CO 0.06 0.23 0.32 -0.09 0.02 0.00 0.00 177.57 178.12 1ury h ARG 48 N -0.11 0.56 0.07 1.57 9.65 -1.38 0.12 114.38 124.87 1ury h ARG 48 Ca 0.03 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1ury h ARG 48 Cb 0.36 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1ury h ARG 48 CO 0.01 0.37 -0.03 0.35 2.80 0.00 0.00 179.97 183.47 1ury h PHE 49 N 0.58 -0.08 -0.03 2.20 3.57 -0.71 -1.92 116.94 120.55 1ury h PHE 49 Ca 0.31 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.65 1ury h PHE 49 Cb 0.27 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1ury h PHE 49 CO -0.11 -0.03 -0.68 0.74 -2.23 0.00 0.00 178.31 176.00 1ury h PHE 50 N -0.11 0.18 0.06 0.41 0.04 -0.61 0.51 116.94 117.43 1ury h PHE 50 Ca -0.01 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 1ury h PHE 50 Cb 0.09 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1ury h PHE 50 CO -0.07 0.77 -0.03 0.28 -0.60 0.00 0.00 178.31 178.66 1ury h VAL 51 N 0.09 1.13 0.00 -0.55 2.07 -0.74 -2.88 116.25 115.38 1ury h VAL 51 Ca -0.01 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1ury h VAL 51 Cb 1.21 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1ury h VAL 51 CO 0.10 0.17 -0.12 0.59 0.02 0.00 0.00 177.57 178.33 1ury n ASN 52 N -4.98 0.50 -3.41 0.57 3.02 -0.73 -4.12 115.26 106.11 1ury n ASN 52 Ca -0.08 0.42 -0.26 0.00 -0.03 0.00 0.00 54.58 54.63 1ury n ASN 52 Cb 0.19 -0.49 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 1ury n ASN 52 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1ury n PHE 53 N -1.93 0.44 -0.00 3.10 3.72 0.17 -4.97 117.46 117.98 1ury n PHE 53 Ca 0.06 -3.64 0.12 0.00 -0.05 0.00 0.00 57.45 53.94 1ury n PHE 53 Cb 0.39 -0.16 0.55 0.00 -0.94 0.00 0.00 39.48 39.33 1ury n PHE 53 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1ury h PRO 54 N 4.92 0.27 -0.77 -1.08 0.11 -1.66 -2.02 132.00 131.78 1ury h PRO 54 Ca 0.18 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.43 1ury h PRO 54 Cb 0.85 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 1ury h PRO 54 CO 0.51 0.18 0.51 0.66 -0.21 0.00 0.00 178.00 179.65 1ury h SER 55 N 0.28 0.38 0.53 -2.05 4.64 -1.93 -1.66 113.55 113.75 1ury h SER 55 Ca 0.22 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1ury h SER 55 Cb 0.49 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1ury h SER 55 CO -0.05 0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1ury h ALA 56 N 1.64 1.00 0.00 5.18 0.00 -1.71 -2.68 119.26 122.68 1ury h ALA 56 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ury h ALA 56 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ury h ALA 56 CO -0.12 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.76 1ury n LYS 57 N -2.71 0.15 0.22 0.00 5.02 -0.62 -3.86 118.16 116.36 1ury n LYS 57 Ca -0.00 0.32 0.17 0.00 -2.02 0.00 0.00 58.31 56.78 1ury n LYS 57 Cb 0.18 -1.75 0.84 0.00 -0.02 0.00 0.00 35.03 34.28 1ury n LYS 57 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1ury h GLN 58 N 0.00 0.00 -0.00 1.97 3.07 -1.66 -1.72 115.11 116.77 1ury h GLN 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1ury h GLN 58 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1ury h GLN 58 CO 0.00 0.00 -0.18 0.66 0.09 0.00 0.00 178.83 179.40 1ury n TYR 59 N -3.83 0.00 -3.88 0.06 4.01 -1.25 -4.70 117.16 107.58 1ury n TYR 59 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1ury n TYR 59 Cb 0.28 -0.21 -0.13 0.00 -0.31 0.00 0.00 39.34 38.98 1ury n TYR 59 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1ury s PHE 60 N -2.60 3.31 0.34 -0.72 0.08 -0.65 -5.00 117.98 112.74 1ury s PHE 60 Ca 0.24 -3.00 0.11 0.00 0.12 0.00 0.00 56.93 54.40 1ury s PHE 60 Cb 0.19 -2.96 0.89 0.00 -0.57 0.00 0.00 43.02 40.58 1ury s PHE 60 CO 0.52 -0.80 1.76 0.66 -0.10 0.00 0.00 175.22 177.27 1ury h SER 61 N 6.79 0.65 1.54 1.36 4.64 -1.84 -2.95 113.55 123.75 1ury h SER 61 Ca -0.06 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1ury h SER 61 Cb 0.92 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ury h SER 61 CO 0.68 0.16 -0.45 1.56 -0.87 0.00 0.00 176.83 177.92 1ury h GLN 62 N 0.60 0.00 0.00 4.77 1.08 -1.95 -3.43 115.11 116.17 1ury h GLN 62 Ca 0.60 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.75 1ury h GLN 62 Cb 1.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 1ury h GLN 62 CO -0.39 0.00 -0.04 1.97 -0.95 0.00 0.00 178.83 179.42 1ury n PHE 63 N -2.89 -0.01 0.00 2.96 -1.74 -1.11 -4.92 117.46 109.74 1ury n PHE 63 Ca 0.02 -0.20 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 1ury n PHE 63 Cb 0.54 -0.03 0.00 0.00 1.52 0.00 0.00 39.48 41.51 1ury n PHE 63 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1ury n LYS 64 N -0.14 0.00 0.00 3.97 4.81 -1.25 -4.69 118.16 120.87 1ury n LYS 64 Ca -0.02 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.54 1ury n LYS 64 Cb 0.05 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.20 1ury n LYS 64 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1ury n HIS 65 N 0.00 0.04 -3.05 5.64 1.44 -1.26 -4.82 115.22 113.21 1ury n HIS 65 Ca 0.00 0.01 -0.40 0.00 -2.01 0.00 0.00 57.72 55.32 1ury n HIS 65 Cb 0.00 -0.20 -0.05 0.00 0.12 0.00 0.00 29.99 29.86 1ury n HIS 65 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1ury s MET 66 N -3.03 4.33 -0.12 -1.40 0.00 -1.26 -4.94 119.30 112.87 1ury s MET 66 Ca 0.09 0.80 0.07 0.00 0.00 0.00 0.00 55.69 56.65 1ury s MET 66 Cb 0.17 -3.52 -0.12 0.00 0.00 0.00 0.00 34.83 31.35 1ury s MET 66 CO 0.77 -0.12 -0.01 0.39 0.00 0.00 0.00 175.02 176.05 1ury n GLU 67 N 4.52 1.66 -2.26 4.11 1.02 -1.26 -4.98 120.64 123.45 1ury n GLU 67 Ca -0.00 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 1ury n GLU 67 Cb 0.50 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.62 1ury n GLU 67 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ury s ASP 68 N -4.65 6.81 0.37 1.62 3.68 -1.26 -4.92 116.67 118.32 1ury s ASP 68 Ca -0.09 1.86 0.08 0.00 2.13 0.00 0.00 52.55 56.52 1ury s ASP 68 Cb 0.04 -2.54 0.79 0.00 -1.45 0.00 0.00 42.92 39.76 1ury s ASP 68 CO 0.41 -0.85 1.93 -0.65 0.13 0.00 0.00 175.17 176.14 1ury h PRO 69 N 8.83 0.69 -0.07 4.34 0.11 -1.97 -1.71 132.00 142.21 1ury h PRO 69 Ca -0.31 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 1ury h PRO 69 Cb 1.13 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ury h PRO 69 CO 0.97 0.45 -0.39 -0.07 -0.21 0.00 0.00 178.00 178.76 1ury h LEU 70 N 0.71 0.15 -0.23 2.35 3.38 -2.00 -1.90 115.31 117.78 1ury h LEU 70 Ca 0.36 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 58.06 1ury h LEU 70 Cb 0.45 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ury h LEU 70 CO -0.13 0.53 -0.66 -0.08 0.09 0.00 0.00 178.44 178.19 1ury h GLU 71 N 0.13 0.84 -1.00 1.13 4.81 -1.82 -3.17 114.58 115.50 1ury h GLU 71 Ca 0.01 -0.61 0.07 0.00 -0.13 0.00 0.00 59.36 58.71 1ury h GLU 71 Cb 0.74 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.16 1ury h GLU 71 CO 0.06 1.23 0.65 0.52 -0.73 0.00 0.00 179.01 180.73 1ury h MET 72 N 0.61 1.12 0.00 1.92 2.86 -1.08 -2.32 114.93 118.04 1ury h MET 72 Ca -0.02 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1ury h MET 72 Cb 1.28 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1ury h MET 72 CO 0.14 0.74 -0.12 1.05 1.06 0.00 0.00 176.91 179.78 1ury h GLU 73 N 1.15 0.00 -0.01 1.72 4.11 -1.36 -2.55 114.58 117.64 1ury h GLU 73 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1ury h GLU 73 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ury h GLU 73 CO -0.18 0.12 -0.17 0.54 0.07 0.00 0.00 179.01 179.39 1ury n ARG 74 N -3.22 1.06 -2.56 1.06 1.74 -0.89 -4.87 116.66 108.97 1ury n ARG 74 Ca 0.01 -0.60 -0.43 0.00 -0.77 0.00 0.00 57.85 56.06 1ury n ARG 74 Cb 0.41 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1ury n ARG 74 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ury s SER 75 N -2.35 6.70 0.32 0.55 0.15 -0.96 -4.94 113.70 113.17 1ury s SER 75 Ca 0.29 0.80 0.06 0.00 0.70 0.00 0.00 55.95 57.80 1ury s SER 75 Cb 0.20 -2.55 0.72 0.00 -1.71 0.00 0.00 66.02 62.68 1ury s SER 75 CO 0.46 -1.13 1.82 1.55 1.20 0.00 0.00 173.24 177.14 1ury h PRO 76 N 9.05 0.78 -0.62 5.44 0.13 -1.91 0.10 132.00 144.97 1ury h PRO 76 Ca -0.23 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1ury h PRO 76 Cb 1.07 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1ury h PRO 76 CO 1.08 0.51 0.05 0.37 -0.23 0.00 0.00 178.00 179.78 1ury h GLN 77 N 0.80 1.05 -0.10 0.86 4.15 -1.96 0.40 115.11 120.31 1ury h GLN 77 Ca 0.51 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1ury h GLN 77 Cb 0.74 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 1ury h GLN 77 CO -0.29 1.00 0.04 1.25 -1.93 0.00 0.00 178.83 178.90 1ury h LEU 78 N 0.97 0.14 -1.40 -2.39 6.46 -1.20 -2.45 115.31 115.44 1ury h LEU 78 Ca 0.18 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1ury h LEU 78 Cb 0.49 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1ury h LEU 78 CO 0.02 0.27 0.19 0.03 -0.62 0.00 0.00 178.44 178.33 1ury h ARG 79 N 0.01 0.59 0.74 1.25 3.08 -0.91 -1.04 114.38 118.11 1ury h ARG 79 Ca 0.03 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1ury h ARG 79 Cb 0.17 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ury h ARG 79 CO -0.00 0.48 -0.40 -0.22 -1.07 0.00 0.00 179.97 178.75 1ury h LYS 80 N 0.60 -1.02 -0.85 0.04 3.64 -0.84 -1.76 116.57 116.37 1ury h LYS 80 Ca 0.15 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1ury h LYS 80 Cb 0.09 0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1ury h LYS 80 CO -0.02 -0.68 0.55 1.25 -2.27 0.00 0.00 179.45 178.28 1ury h HIS 81 N -1.06 0.92 -0.01 1.91 2.76 -1.07 -0.39 115.15 118.21 1ury h HIS 81 Ca -0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1ury h HIS 81 Cb 0.83 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 1ury h HIS 81 CO -0.06 0.46 -0.01 0.00 -1.30 0.00 0.00 177.93 177.02 1ury h ALA 82 N 1.56 -0.00 -0.91 5.26 0.00 -1.09 0.33 119.26 124.41 1ury h ALA 82 Ca 0.38 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1ury h ALA 82 Cb 0.30 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1ury h ALA 82 CO -0.14 -0.51 0.59 0.77 0.00 0.00 0.00 179.25 179.96 1ury h SER 83 N -0.01 1.00 1.35 0.00 0.02 -0.41 -1.29 113.55 114.21 1ury h SER 83 Ca 0.01 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1ury h SER 83 Cb 0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1ury h SER 83 CO -0.01 0.69 -0.39 0.03 -1.14 0.00 0.00 176.83 176.00 1ury h ARG 84 N 1.17 0.00 0.14 3.45 3.08 -0.84 -0.42 114.38 120.96 1ury h ARG 84 Ca 0.36 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.14 1ury h ARG 84 Cb -0.03 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.05 1ury h ARG 84 CO -0.11 0.39 -1.13 0.28 -1.07 0.00 0.00 179.97 178.34 1ury h VAL 85 N 0.00 1.35 -0.40 2.04 2.07 -0.66 -2.61 116.25 118.04 1ury h VAL 85 Ca -0.00 -2.47 -0.06 0.00 0.82 0.00 0.00 66.70 64.98 1ury h VAL 85 Cb 1.18 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.78 1ury h VAL 85 CO 0.05 0.74 -0.01 0.24 0.02 0.00 0.00 177.57 178.61 1ury h MET 86 N 0.08 0.64 0.66 1.57 2.86 -1.12 -1.36 114.93 118.26 1ury h MET 86 Ca -0.18 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 1ury h MET 86 Cb 1.84 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 33.42 1ury h MET 86 CO 0.22 0.67 -0.32 0.78 1.06 0.00 0.00 176.91 179.31 1ury h GLY 87 N 0.91 -0.93 -0.52 8.32 0.00 -1.12 0.12 103.07 109.85 1ury h GLY 87 Ca 0.12 0.34 0.18 0.00 0.00 0.00 0.00 47.33 47.98 1ury h GLY 87 CO 0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 176.54 176.16 1ury h ALA 88 N -1.42 0.76 0.00 3.60 0.00 -1.42 0.94 119.26 121.71 1ury h ALA 88 Ca -0.09 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ury h ALA 88 Cb 0.68 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ury h ALA 88 CO 0.15 -0.44 -0.06 -0.07 0.00 0.00 0.00 179.25 178.83 1ury h LEU 89 N 0.06 0.00 -0.92 0.00 4.07 -1.26 -1.81 115.31 115.45 1ury h LEU 89 Ca 0.43 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.29 1ury h LEU 89 Cb 0.75 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1ury h LEU 89 CO -0.75 0.06 -0.26 -1.13 -1.08 0.00 0.00 178.44 175.28 1ury h ASN 90 N 0.00 0.49 1.19 -0.43 -1.24 0.16 -1.51 115.58 114.24 1ury h ASN 90 Ca -0.00 -0.17 -0.14 0.00 0.71 0.00 0.00 56.30 56.71 1ury h ASN 90 Cb 1.03 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.93 1ury h ASN 90 CO 0.01 0.74 -0.64 0.71 -1.29 0.00 0.00 177.43 176.96 1ury h THR 91 N 0.42 1.17 0.29 -3.57 1.35 -0.39 -2.60 112.91 109.58 1ury h THR 91 Ca 0.06 -2.48 -0.01 0.00 -0.55 0.00 0.00 66.41 63.43 1ury h THR 91 Cb 0.68 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1ury h THR 91 CO 0.05 0.63 -0.14 0.58 -0.25 0.00 0.00 175.52 176.39 1ury h VAL 92 N 0.00 0.74 -0.82 6.82 2.07 -1.18 -2.83 116.25 121.05 1ury h VAL 92 Ca -0.01 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1ury h VAL 92 Cb 1.41 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1ury h VAL 92 CO 0.08 0.04 0.40 0.58 0.02 0.00 0.00 177.57 178.70 1ury h VAL 93 N -0.49 1.25 0.00 2.57 2.07 -1.22 -1.30 116.25 119.13 1ury h VAL 93 Ca -0.04 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1ury h VAL 93 Cb 0.37 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ury h VAL 93 CO 0.07 0.30 -0.18 -0.08 0.02 0.00 0.00 177.57 177.70 1ury h GLU 94 N 1.15 0.00 -0.34 1.57 4.81 -1.53 -3.22 114.58 117.02 1ury h GLU 94 Ca 0.28 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1ury h GLU 94 Cb 0.10 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1ury h GLU 94 CO -0.04 0.18 -0.00 0.09 -0.73 0.00 0.00 179.01 178.51 1ury n ASN 95 N -3.80 3.20 0.24 1.04 4.13 -0.52 -4.73 115.26 114.82 1ury n ASN 95 Ca -0.02 -3.41 0.09 0.00 1.68 0.00 0.00 54.58 52.92 1ury n ASN 95 Cb 0.28 -0.60 0.61 0.00 -1.54 0.00 0.00 39.78 38.53 1ury n ASN 95 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1ury h LEU 96 N 1.36 0.00 0.00 3.41 3.38 -1.50 -0.42 115.31 121.54 1ury h LEU 96 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ury h LEU 96 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1ury h LEU 96 CO 0.35 0.16 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1ury n HIS 97 N -4.00 0.00 -3.86 1.13 1.44 -1.26 -4.46 115.22 104.22 1ury n HIS 97 Ca -0.02 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.40 1ury n HIS 97 Cb 0.24 -0.29 -0.13 0.00 0.12 0.00 0.00 29.99 29.94 1ury n HIS 97 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1ury s ASP 98 N -2.58 4.19 0.34 4.39 3.68 -0.17 -4.96 116.67 121.57 1ury s ASP 98 Ca 0.17 -3.22 0.06 0.00 2.13 0.00 0.00 52.55 51.69 1ury s ASP 98 Cb 0.12 -1.46 0.74 0.00 -1.45 0.00 0.00 42.92 40.87 1ury s ASP 98 CO 0.27 -0.19 1.89 1.55 0.13 0.00 0.00 175.17 178.83 1ury h PRO 99 N 6.13 0.76 -0.48 4.34 0.13 -1.79 -1.40 132.00 139.68 1ury h PRO 99 Ca 0.03 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1ury h PRO 99 Cb 0.85 -0.17 -0.07 0.00 0.13 0.00 0.00 31.00 31.74 1ury h PRO 99 CO 0.64 0.50 0.09 -0.44 -0.23 0.00 0.00 178.00 178.56 1ury h ASP 100 N 0.78 -0.02 0.14 1.44 3.45 -1.93 -2.34 116.42 117.94 1ury h ASP 100 Ca 0.41 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.95 1ury h ASP 100 Cb 0.53 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1ury h ASP 100 CO -0.18 0.02 -0.07 0.50 -1.57 0.00 0.00 179.24 177.94 1ury h LYS 101 N 0.22 -0.18 -0.87 3.56 1.63 -1.59 -2.70 116.57 116.63 1ury h LYS 101 Ca 0.24 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 60.26 1ury h LYS 101 Cb 0.32 0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 31.87 1ury h LYS 101 CO -0.32 0.26 0.33 -0.39 -3.45 0.00 0.00 179.45 175.88 1ury h VAL 102 N -0.87 0.46 -0.83 2.00 -1.51 -1.50 0.43 116.25 114.43 1ury h VAL 102 Ca -0.02 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 1ury h VAL 102 Cb 0.53 0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 29.73 1ury h VAL 102 CO 0.03 0.06 0.49 -1.28 -1.23 0.00 0.00 177.57 175.65 1ury h SER 103 N 0.35 1.01 0.35 4.19 0.87 -1.41 -2.67 113.55 116.24 1ury h SER 103 Ca 0.53 -0.07 -0.30 0.00 -1.23 0.00 0.00 61.79 60.72 1ury h SER 103 Cb 1.01 -0.26 0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1ury h SER 103 CO -0.54 0.79 -1.31 -1.28 -0.53 0.00 0.00 176.83 173.96 1ury h SER 104 N 1.15 0.70 -0.91 6.23 0.87 -0.73 -2.49 113.55 118.37 1ury h SER 104 Ca 0.30 -0.71 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1ury h SER 104 Cb -0.03 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 1ury h SER 104 CO -0.05 1.54 0.52 0.58 -0.53 0.00 0.00 176.83 178.89 1ury h VAL 105 N 0.17 1.26 0.00 2.23 2.07 -0.90 -0.62 116.25 120.46 1ury h VAL 105 Ca -0.19 -0.60 -0.20 0.00 0.82 0.00 0.00 66.70 66.53 1ury h VAL 105 Cb 2.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1ury h VAL 105 CO 0.24 0.28 -1.10 -0.07 0.02 0.00 0.00 177.57 176.93 1ury h LEU 106 N 1.26 0.00 -0.12 2.57 3.38 -1.55 -2.40 115.31 118.45 1ury h LEU 106 Ca 0.32 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1ury h LEU 106 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ury h LEU 106 CO -0.06 0.86 -0.26 0.00 0.09 0.00 0.00 178.44 179.07 1ury h ALA 107 N 1.14 0.19 -0.44 1.53 0.00 -1.25 0.07 119.26 120.50 1ury h ALA 107 Ca -0.08 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ury h ALA 107 Cb 1.73 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1ury h ALA 107 CO 0.10 0.19 0.25 -0.07 0.00 0.00 0.00 179.25 179.71 1ury h LEU 108 N -0.03 0.39 -0.68 0.00 -0.00 -1.13 0.83 115.31 114.69 1ury h LEU 108 Ca 0.00 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 57.96 1ury h LEU 108 Cb 0.86 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.39 1ury h LEU 108 CO 0.06 0.28 0.36 0.58 -0.00 0.00 0.00 178.44 179.71 1ury h VAL 109 N 0.49 0.92 -0.21 1.22 2.07 -1.37 -2.18 116.25 117.19 1ury h VAL 109 Ca 0.18 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 1ury h VAL 109 Cb 0.04 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1ury h VAL 109 CO -0.10 0.12 -0.55 1.23 0.02 0.00 0.00 177.57 178.29 1ury h GLY 110 N 0.64 0.82 0.81 2.17 0.00 -0.14 -2.07 103.07 105.30 1ury h GLY 110 Ca 0.31 -1.03 0.03 0.00 0.00 0.00 0.00 47.33 46.64 1ury h GLY 110 CO -0.21 0.92 0.16 0.50 0.00 0.00 0.00 176.54 177.90 1ury h LYS 111 N 0.48 0.32 -0.49 4.80 1.57 -0.75 -0.74 116.57 121.76 1ury h LYS 111 Ca -0.01 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1ury h LYS 111 Cb 1.17 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1ury h LYS 111 CO 0.12 0.21 -0.15 0.00 -0.57 0.00 0.00 179.45 179.06 1ury h ALA 112 N 1.19 0.80 -0.23 3.86 0.00 -1.34 0.12 119.26 123.67 1ury h ALA 112 Ca 0.15 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1ury h ALA 112 Cb 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ury h ALA 112 CO -0.11 0.66 -0.54 0.45 0.00 0.00 0.00 179.25 179.70 1ury h HIS 113 N 0.83 0.85 0.08 0.00 3.86 -1.26 0.22 115.15 119.73 1ury h HIS 113 Ca 0.12 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1ury h HIS 113 Cb 0.70 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1ury h HIS 113 CO 0.04 1.07 -0.04 0.00 0.86 0.00 0.00 177.93 179.86 1ury h ALA 114 N 0.87 -0.10 0.09 2.45 0.00 -0.99 0.41 119.26 121.98 1ury h ALA 114 Ca 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1ury h ALA 114 Cb 1.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ury h ALA 114 CO 0.11 -0.37 -1.14 -0.07 0.00 0.00 0.00 179.25 177.77 1ury h LEU 115 N -0.47 0.31 0.03 0.00 3.38 -0.98 -3.12 115.31 114.45 1ury h LEU 115 Ca -0.01 -0.85 -0.22 0.00 0.09 0.00 0.00 57.88 56.89 1ury h LEU 115 Cb 0.40 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ury h LEU 115 CO 0.02 1.50 -1.21 0.11 0.09 0.00 0.00 178.44 178.95 1ury h LYS 116 N -0.47 0.06 0.00 1.13 6.56 -0.78 -3.40 116.57 119.67 1ury h LYS 116 Ca -0.25 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 1ury h LYS 116 Cb 1.61 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.31 1ury h LYS 116 CO 0.04 1.05 -1.08 0.72 -2.06 0.00 0.00 179.45 178.12 1ury n HIS 117 N -4.29 0.78 -3.51 -1.35 8.25 -0.73 -4.98 115.22 109.39 1ury n HIS 117 Ca -0.29 0.23 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 1ury n HIS 117 Cb 0.72 -0.84 0.07 0.00 1.12 0.00 0.00 29.99 31.07 1ury n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ury n LYS 118 N -2.52 -7.49 -3.25 -0.41 5.02 0.13 -4.95 118.16 104.69 1ury n LYS 118 Ca -0.00 0.82 -0.38 0.00 -2.02 0.00 0.00 58.31 56.72 1ury n LYS 118 Cb 0.53 -5.79 -0.06 0.00 -0.02 0.00 0.00 35.03 29.69 1ury n LYS 118 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ury s VAL 119 N -3.30 5.14 0.18 -0.18 1.01 -0.57 -5.00 120.40 117.68 1ury s VAL 119 Ca 0.55 1.05 -0.32 0.00 0.00 0.00 0.00 61.98 63.26 1ury s VAL 119 Cb -0.24 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1ury s VAL 119 CO 0.68 0.28 1.77 -1.61 0.00 0.00 0.00 175.10 176.21 1ury s GLU 120 N 0.87 4.13 0.52 2.72 2.02 -1.26 -4.62 118.70 123.08 1ury s GLU 120 Ca 0.28 2.61 0.18 0.00 0.02 0.00 0.00 54.97 58.07 1ury s GLU 120 Cb -0.16 -3.27 1.34 0.00 0.10 0.00 0.00 34.13 32.14 1ury s GLU 120 CO 0.12 -0.79 2.15 -1.00 0.02 0.00 0.00 175.26 175.75 1ury h PRO 121 N 7.50 0.00 -0.28 0.39 0.13 -1.97 -2.29 132.00 135.47 1ury h PRO 121 Ca -0.44 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1ury h PRO 121 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ury h PRO 121 CO 0.96 0.03 0.26 -0.24 -0.23 0.00 0.00 178.00 178.77 1ury h VAL 122 N 0.00 0.55 0.00 1.56 3.04 -2.02 -1.25 116.25 118.14 1ury h VAL 122 Ca -0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1ury h VAL 122 Cb 0.05 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1ury h VAL 122 CO 0.00 0.00 -0.05 1.88 -1.01 0.00 0.00 177.57 178.40 1ury h TYR 123 N 0.00 0.00 -0.31 3.17 0.05 -1.79 -1.03 116.97 117.06 1ury h TYR 123 Ca 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1ury h TYR 123 Cb 0.66 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1ury h TYR 123 CO 0.00 0.05 0.09 0.74 -1.05 0.00 0.00 178.16 177.98 1ury h PHE 124 N 0.00 0.52 -0.60 4.88 0.04 -1.43 -0.85 116.94 119.50 1ury h PHE 124 Ca -0.00 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.77 1ury h PHE 124 Cb 0.09 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.04 1ury h PHE 124 CO 0.00 0.54 0.30 -0.22 -0.60 0.00 0.00 178.31 178.33 1ury h LYS 125 N 0.35 0.55 -0.25 1.51 3.64 -1.31 -0.80 116.57 120.25 1ury h LYS 125 Ca 0.10 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1ury h LYS 125 Cb 0.27 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1ury h LYS 125 CO -0.00 0.36 -0.10 0.82 -2.27 0.00 0.00 179.45 178.26 1ury h ILE 126 N 0.56 1.30 -0.52 2.00 2.04 -1.27 -2.38 117.51 119.23 1ury h ILE 126 Ca 0.27 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1ury h ILE 126 Cb 0.21 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1ury h ILE 126 CO -0.20 0.36 0.13 0.25 0.00 0.00 0.00 178.15 178.69 1ury h LEU 127 N 0.24 0.73 -1.16 1.44 5.85 -1.00 -1.84 115.31 119.58 1ury h LEU 127 Ca 0.06 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1ury h LEU 127 Cb 0.60 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1ury h LEU 127 CO 0.03 0.72 0.16 0.28 -0.34 0.00 0.00 178.44 179.29 1ury h SER 128 N 0.76 0.69 0.27 1.25 0.02 -0.98 -0.11 113.55 115.45 1ury h SER 128 Ca 0.17 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1ury h SER 128 Cb 0.28 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1ury h SER 128 CO -0.00 0.65 -0.53 1.23 -1.14 0.00 0.00 176.83 177.05 1ury h GLY 129 N 0.90 0.31 1.32 -3.77 0.00 -0.83 -1.33 103.07 99.67 1ury h GLY 129 Ca 0.17 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1ury h GLY 129 CO -0.01 0.31 -0.37 -2.08 0.00 0.00 0.00 176.54 174.38 1ury h VAL 130 N 0.22 1.29 -0.27 4.60 2.07 -0.60 0.19 116.25 123.75 1ury h VAL 130 Ca 0.01 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1ury h VAL 130 Cb 1.00 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1ury h VAL 130 CO 0.08 0.50 -0.08 0.40 0.02 0.00 0.00 177.57 178.50 1ury h ILE 131 N 0.62 1.29 -0.76 4.57 2.04 -0.87 -0.22 117.51 124.17 1ury h ILE 131 Ca 0.06 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1ury h ILE 131 Cb 0.92 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1ury h ILE 131 CO 0.08 0.35 0.38 0.25 0.00 0.00 0.00 178.15 179.21 1ury h LEU 132 N 0.27 0.97 -0.22 1.44 6.46 -1.15 0.21 115.31 123.29 1ury h LEU 132 Ca 0.07 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1ury h LEU 132 Cb 0.56 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1ury h LEU 132 CO 0.03 0.81 -0.11 -0.08 -0.62 0.00 0.00 178.44 178.47 1ury h GLU 133 N 1.08 0.47 -0.53 1.25 4.57 -0.69 -1.88 114.58 118.84 1ury h GLU 133 Ca 0.27 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1ury h GLU 133 Cb 0.08 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1ury h GLU 133 CO -0.04 0.75 0.00 0.28 -1.18 0.00 0.00 179.01 178.82 1ury h VAL 134 N 0.17 1.25 -0.41 0.32 2.07 -0.76 -2.23 116.25 116.66 1ury h VAL 134 Ca 0.05 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1ury h VAL 134 Cb 0.61 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1ury h VAL 134 CO 0.03 0.38 0.17 0.58 0.02 0.00 0.00 177.57 178.75 1ury h VAL 135 N 0.83 1.19 -0.68 2.57 2.07 -0.94 -1.84 116.25 119.45 1ury h VAL 135 Ca 0.16 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1ury h VAL 135 Cb 0.49 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1ury h VAL 135 CO 0.02 0.21 0.44 0.00 0.02 0.00 0.00 177.57 178.27 1ury h ALA 136 N 1.01 1.49 -0.06 1.67 0.00 -1.04 -2.21 119.26 120.13 1ury h ALA 136 Ca 0.14 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1ury h ALA 136 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ury h ALA 136 CO -0.01 0.46 -0.60 0.93 0.00 0.00 0.00 179.25 180.03 1ury h GLU 137 N 0.93 0.20 -0.16 0.00 5.08 -1.09 -2.50 114.58 117.04 1ury h GLU 137 Ca 0.25 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1ury h GLU 137 Cb -0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ury h GLU 137 CO -0.05 0.74 -0.31 0.93 -1.00 0.00 0.00 179.01 179.32 1ury h GLU 138 N 0.15 0.32 -0.71 2.33 4.39 -0.73 -3.28 114.58 117.05 1ury h GLU 138 Ca -0.01 -0.13 -0.50 0.00 0.34 0.00 0.00 59.36 59.06 1ury h GLU 138 Cb 1.09 -0.02 -0.43 0.00 -0.10 0.00 0.00 28.75 29.30 1ury h GLU 138 CO 0.09 0.60 -0.86 1.19 -1.16 0.00 0.00 179.01 178.87 1ury n PHE 139 N -4.10 2.54 -0.29 4.33 3.01 -1.03 -4.84 117.46 117.08 1ury n PHE 139 Ca -0.01 -2.22 0.13 0.00 1.01 0.00 0.00 57.45 56.36 1ury n PHE 139 Cb 0.42 -0.32 0.38 0.00 -0.01 0.00 0.00 39.48 39.95 1ury n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ury h ALA 140 N 2.25 1.85 -0.81 4.37 0.00 -1.51 -2.31 119.26 123.10 1ury h ALA 140 Ca 0.29 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1ury h ALA 140 Cb 1.49 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1ury h ALA 140 CO 0.68 -0.12 0.51 0.77 0.00 0.00 0.00 179.25 181.08 1ury h SER 141 N 0.68 0.82 -2.63 0.00 0.02 -1.89 -3.36 113.55 107.20 1ury h SER 141 Ca 0.48 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.84 1ury h SER 141 Cb 0.82 -0.17 -0.39 0.00 0.14 0.00 0.00 62.40 62.80 1ury h SER 141 CO -0.24 0.56 -0.88 -0.62 -1.14 0.00 0.00 176.83 174.51 1ury s ASP 142 N -5.80 2.46 -0.53 3.07 3.68 -0.90 -4.99 116.67 113.66 1ury s ASP 142 Ca -0.13 -2.75 0.05 0.00 2.13 0.00 0.00 52.55 51.86 1ury s ASP 142 Cb 0.17 -0.57 0.19 0.00 -1.45 0.00 0.00 42.92 41.26 1ury s ASP 142 CO 0.78 -0.23 0.47 0.33 0.13 0.00 0.00 175.17 176.66 1ury n PHE 143 N 3.30 1.10 -1.88 -5.34 7.35 -1.06 -4.90 117.46 116.03 1ury n PHE 143 Ca 0.20 -3.78 -0.31 0.00 -0.76 0.00 0.00 57.45 52.80 1ury n PHE 143 Cb 0.42 -0.22 0.01 0.00 0.35 0.00 0.00 39.48 40.03 1ury n PHE 143 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1ury s PRO 144 N -0.96 3.54 0.34 -7.13 0.04 -1.26 -4.78 135.00 124.80 1ury s PRO 144 Ca 0.32 0.72 0.14 0.00 0.04 0.00 0.00 61.00 62.21 1ury s PRO 144 Cb 0.05 -2.08 1.10 0.00 0.04 0.00 0.00 34.50 33.61 1ury s PRO 144 CO -0.15 -0.60 1.62 -1.35 0.04 0.00 0.00 177.00 176.56 1ury h PRO 145 N -0.34 0.15 -0.14 0.56 0.11 -2.00 -1.12 132.00 129.23 1ury h PRO 145 Ca -0.44 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1ury h PRO 145 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ury h PRO 145 CO 0.62 0.10 -0.60 0.93 -0.21 0.00 0.00 178.00 178.84 1ury h GLU 146 N 0.16 0.48 -0.02 1.05 5.08 -2.00 -2.67 114.58 116.65 1ury h GLU 146 Ca 0.74 -0.32 -0.19 0.00 -1.00 0.00 0.00 59.36 58.58 1ury h GLU 146 Cb 1.77 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 1ury h GLU 146 CO -0.71 0.94 -0.82 1.15 -1.00 0.00 0.00 179.01 178.57 1ury h THR 147 N 0.36 1.45 -0.80 1.13 2.02 -1.62 -2.81 112.91 112.63 1ury h THR 147 Ca -0.00 -2.43 -0.04 0.00 0.77 0.00 0.00 66.41 64.70 1ury h THR 147 Cb 1.15 2.34 -0.04 0.00 -1.74 0.00 0.00 68.15 69.86 1ury h THR 147 CO 0.11 0.71 0.34 1.56 0.37 0.00 0.00 175.52 178.62 1ury h GLN 148 N 0.15 1.19 -0.59 6.66 4.20 -1.15 -1.91 115.11 123.66 1ury h GLN 148 Ca -0.04 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 1ury h GLN 148 Cb 1.42 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1ury h GLN 148 CO 0.13 0.94 -0.02 -0.09 -0.67 0.00 0.00 178.83 179.12 1ury h ARG 149 N 1.16 1.06 -0.34 1.46 2.43 -1.51 0.49 114.38 119.13 1ury h ARG 149 Ca 0.27 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ury h ARG 149 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1ury h ARG 149 CO -0.03 1.05 0.22 0.00 -1.51 0.00 0.00 179.97 179.70 1ury h ALA 150 N 1.00 0.43 -0.46 2.80 0.00 -1.22 0.13 119.26 121.93 1ury h ALA 150 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ury h ALA 150 Cb 0.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ury h ALA 150 CO 0.03 -0.12 0.22 -1.49 0.00 0.00 0.00 179.25 177.89 1ury h TRP 151 N 0.45 0.66 0.00 0.00 4.06 -1.22 -2.03 115.95 117.87 1ury h TRP 151 Ca 0.12 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.99 1ury h TRP 151 Cb -0.04 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 1ury h TRP 151 CO -0.06 0.54 -0.22 0.00 -3.56 0.00 0.00 178.44 175.14 1ury h ALA 152 N 1.06 1.44 -0.06 1.49 0.00 -0.44 -0.68 119.26 122.07 1ury h ALA 152 Ca 0.16 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1ury h ALA 152 Cb 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ury h ALA 152 CO -0.02 0.28 -0.71 0.87 0.00 0.00 0.00 179.25 179.67 1ury h LYS 153 N 0.00 0.59 0.33 0.00 1.57 -0.50 -1.94 116.57 116.62 1ury h LYS 153 Ca -0.00 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1ury h LYS 153 Cb 0.44 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1ury h LYS 153 CO 0.03 1.17 -0.16 1.25 -0.57 0.00 0.00 179.45 181.17 1ury h LEU 154 N 0.21 -0.38 -0.61 2.94 5.85 -0.88 -0.26 115.31 122.18 1ury h LEU 154 Ca -0.07 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.75 1ury h LEU 154 Cb 1.37 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.38 1ury h LEU 154 CO 0.14 -0.23 -0.17 -0.09 -0.34 0.00 0.00 178.44 177.75 1ury h ARG 155 N -0.49 -0.01 -0.97 1.25 1.12 -1.19 -0.21 114.38 113.87 1ury h ARG 155 Ca -0.05 0.00 0.10 0.00 -1.11 0.00 0.00 59.98 58.92 1ury h ARG 155 Cb 0.37 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.26 1ury h ARG 155 CO 0.07 -0.01 0.62 0.78 -3.11 0.00 0.00 179.97 178.33 1ury h GLY 156 N -0.01 1.51 0.93 2.80 0.00 -0.96 -2.17 103.07 105.16 1ury h GLY 156 Ca 0.29 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1ury h GLY 156 CO -0.64 0.22 -0.23 -2.00 0.00 0.00 0.00 176.54 173.89 1ury h LEU 157 N 1.02 0.68 0.44 3.11 5.85 0.59 -2.84 115.31 124.16 1ury h LEU 157 Ca 0.46 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ury h LEU 157 Cb 0.38 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1ury h LEU 157 CO -0.21 0.99 -0.33 0.40 -0.34 0.00 0.00 178.44 178.95 1ury h ILE 158 N 0.37 0.31 -0.57 4.05 2.04 -0.78 -2.38 117.51 120.55 1ury h ILE 158 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1ury h ILE 158 Cb 0.79 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1ury h ILE 158 CO 0.06 0.00 0.30 0.22 0.00 0.00 0.00 178.15 178.73 1ury h TYR 159 N -0.77 0.55 0.00 1.37 -0.00 -1.44 -0.72 116.97 115.96 1ury h TYR 159 Ca -0.04 0.02 -0.12 0.00 -0.00 0.00 0.00 58.73 58.59 1ury h TYR 159 Cb 0.65 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.20 1ury h TYR 159 CO -0.14 0.27 -0.56 0.66 -0.00 0.00 0.00 178.16 178.38 1ury h SER 160 N 0.57 0.00 -0.14 -2.11 4.64 -1.52 0.14 113.55 115.13 1ury h SER 160 Ca 0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.53 1ury h SER 160 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ury h SER 160 CO -0.17 0.56 -0.09 0.45 -0.87 0.00 0.00 176.83 176.71 1ury h HIS 161 N 0.00 0.36 -0.30 4.77 3.86 -1.04 -1.14 115.15 121.66 1ury h HIS 161 Ca -0.01 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1ury h HIS 161 Cb 1.05 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 1ury h HIS 161 CO 0.00 0.66 0.14 0.28 0.86 0.00 0.00 177.93 179.86 1ury h VAL 162 N -0.04 1.16 -0.50 2.45 2.07 -0.98 -2.11 116.25 118.30 1ury h VAL 162 Ca 0.03 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1ury h VAL 162 Cb 0.57 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1ury h VAL 162 CO 0.02 0.16 0.23 0.74 0.02 0.00 0.00 177.57 178.75 1ury h THR 163 N 0.34 0.92 -0.38 2.57 2.02 -0.78 -1.22 112.91 116.38 1ury h THR 163 Ca 0.10 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1ury h THR 163 Cb 0.13 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1ury h THR 163 CO -0.01 0.08 0.14 0.00 0.37 0.00 0.00 175.52 176.11 1ury h ALA 164 N 1.29 1.54 -0.25 6.16 0.00 -1.05 -1.46 119.26 125.48 1ury h ALA 164 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ury h ALA 164 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ury h ALA 164 CO -0.18 0.36 0.02 0.00 0.00 0.00 0.00 179.25 179.45 1ury h ALA 165 N 1.62 0.34 -0.50 0.00 0.00 -0.88 -0.75 119.26 119.09 1ury h ALA 165 Ca 0.13 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ury h ALA 165 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1ury h ALA 165 CO -0.01 0.05 0.24 1.88 0.00 0.00 0.00 179.25 181.42 1ury h TYR 166 N 0.23 0.45 -0.01 0.00 0.05 -0.90 -2.52 116.97 114.25 1ury h TYR 166 Ca 0.07 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.78 1ury h TYR 166 Cb 0.38 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1ury h TYR 166 CO 0.03 0.21 -0.43 -0.22 -1.05 0.00 0.00 178.16 176.70 1ury h LYS 167 N 0.48 0.03 -0.54 4.88 1.63 -1.19 -2.36 116.57 119.50 1ury h LYS 167 Ca 0.22 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1ury h LYS 167 Cb 0.15 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1ury h LYS 167 CO -0.17 0.46 0.11 1.49 -3.45 0.00 0.00 179.45 177.89 1ury h GLU 168 N 0.02 0.87 -0.64 1.90 4.81 -0.71 -3.05 114.58 117.78 1ury h GLU 168 Ca -0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1ury h GLU 168 Cb 0.78 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1ury h GLU 168 CO 0.06 0.84 0.00 1.33 -0.73 0.00 0.00 179.01 180.51 1ury n VAL 169 N -4.39 1.65 -2.64 0.32 0.24 -1.05 -4.94 118.33 107.51 1ury n VAL 169 Ca 0.02 -0.97 -0.03 0.00 -2.04 0.00 0.00 64.34 61.32 1ury n VAL 169 Cb 0.25 -0.07 0.01 0.00 -1.47 0.00 0.00 33.84 32.56 1ury n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ury n GLY 170 N 0.82 0.76 0.00 7.63 0.00 -1.13 -5.07 105.19 108.21 1ury n GLY 170 Ca 0.21 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1ury n GLY 170 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19