#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aou n ILE 2 N 0.00 0.00 -0.43 2.46 -5.35 -1.26 -4.60 119.36 110.17 1aou n ILE 2 Ca 0.00 0.00 0.36 0.00 -0.27 0.00 0.00 62.75 62.84 1aou n ILE 2 Cb 0.00 0.00 0.64 0.00 -1.74 0.00 0.00 39.64 38.54 1aou n ILE 2 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1aou h GLN 3 N 0.00 0.09 -3.74 6.28 5.75 -1.98 -3.42 115.11 118.08 1aou h GLN 3 Ca 0.00 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1aou h GLN 3 Cb 0.00 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1aou h GLN 3 CO 0.00 0.06 -0.12 0.00 -2.65 0.00 0.00 178.83 176.12 1aou n ALA 4 N -2.50 -0.67 -1.00 3.38 0.00 -1.26 -4.83 120.51 113.63 1aou n ALA 4 Ca 0.37 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1aou n ALA 4 Cb 1.41 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1aou n ALA 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aou n GLU 5 N -2.25 0.00 0.00 0.00 -0.58 -1.26 -4.92 120.64 111.62 1aou n GLU 5 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1aou n GLU 5 Cb 0.44 -0.03 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 1aou n GLU 5 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1aou n GLU 6 N 0.00 0.00 0.00 3.49 1.02 -1.26 -4.80 120.64 119.09 1aou n GLU 6 Ca 0.00 -0.44 0.05 0.00 -0.02 0.00 0.00 57.16 56.75 1aou n GLU 6 Cb 0.00 -0.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.95 1aou n GLU 6 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1aou n TRP 7 N 0.00 0.00 -3.72 -0.32 4.27 -1.26 -4.21 117.44 112.20 1aou n TRP 7 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 1aou n TRP 7 Cb 0.49 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.31 1aou n TRP 7 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1aou s TYR 8 N -1.40 -0.37 -0.25 -2.67 5.04 -1.26 0.28 117.35 116.71 1aou s TYR 8 Ca 0.07 0.87 -0.05 0.00 -2.44 0.00 0.00 57.07 55.52 1aou s TYR 8 Cb 0.08 0.07 -0.16 0.00 0.35 0.00 0.00 41.96 42.30 1aou s TYR 8 CO 0.26 -0.26 -0.20 1.19 -1.34 0.00 0.00 175.55 175.20 1aou n PHE 9 N 4.29 0.16 0.00 4.97 3.01 -0.72 -4.42 117.46 124.75 1aou n PHE 9 Ca -0.24 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1aou n PHE 9 Cb 0.53 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.98 1aou n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1aou n GLY 10 N 1.86 0.03 2.78 1.37 0.00 -1.26 -4.94 105.19 105.03 1aou n GLY 10 Ca -0.47 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1aou n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aou n LYS 11 N 0.00 3.68 0.00 1.61 5.02 -1.26 -1.84 118.16 125.36 1aou n LYS 11 Ca 0.00 -4.60 0.00 0.00 -2.02 0.00 0.00 58.31 51.69 1aou n LYS 11 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.60 1aou n LYS 11 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1aou n LEU 12 N 1.16 0.00 0.00 -0.35 0.00 -1.26 -4.70 117.00 111.85 1aou n LEU 12 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.25 1aou n LEU 12 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.77 1aou n LEU 12 CO 0.59 0.00 0.02 0.61 0.00 0.00 0.00 177.39 178.61 1aou n GLY 13 N 5.00 3.20 0.14 -3.96 0.00 -1.26 -3.98 105.19 104.32 1aou n GLY 13 Ca 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 46.02 44.57 1aou n GLY 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aou h ARG 14 N 0.00 0.00 -0.11 1.61 -0.00 -1.98 -1.87 114.38 112.03 1aou h ARG 14 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.71 1aou h ARG 14 Cb 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.21 1aou h ARG 14 CO 0.07 0.27 -0.81 -0.22 -0.00 0.00 0.00 179.97 179.28 1aou h LYS 15 N 0.00 0.69 0.10 0.08 3.64 -1.99 -2.69 116.57 116.39 1aou h LYS 15 Ca -0.04 -0.59 -0.16 0.00 -1.27 0.00 0.00 60.65 58.59 1aou h LYS 15 Cb 1.29 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.25 1aou h LYS 15 CO 0.04 1.20 -0.76 0.22 -2.27 0.00 0.00 179.45 177.88 1aou h ASP 16 N 0.46 0.33 -0.94 4.20 1.82 -1.97 -2.58 116.42 117.73 1aou h ASP 16 Ca -0.06 -0.92 0.26 0.00 -0.39 0.00 0.00 57.03 55.92 1aou h ASP 16 Cb 1.43 -0.11 -0.14 0.00 0.68 0.00 0.00 39.33 41.20 1aou h ASP 16 CO 0.16 1.35 0.44 0.00 -1.61 0.00 0.00 179.24 179.57 1aou h ALA 17 N 0.01 1.61 -0.18 -0.78 0.00 -1.41 1.10 119.26 119.62 1aou h ALA 17 Ca -0.15 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1aou h ALA 17 Cb 1.50 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1aou h ALA 17 CO 0.08 -0.44 -0.60 1.05 0.00 0.00 0.00 179.25 179.34 1aou h GLU 18 N 0.35 0.59 0.00 0.00 4.11 -1.53 -2.54 114.58 115.57 1aou h GLU 18 Ca 0.63 -0.40 -0.00 0.00 0.07 0.00 0.00 59.36 59.66 1aou h GLU 18 Cb 1.30 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1aou h GLU 18 CO -0.58 1.02 -0.00 0.00 0.07 0.00 0.00 179.01 179.51 1aou h ARG 19 N 0.44 -0.01 -0.39 1.06 3.08 0.16 0.24 114.38 118.96 1aou h ARG 19 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1aou h ARG 19 Cb 1.17 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.13 1aou h ARG 19 CO 0.11 -0.00 -0.50 0.37 -1.07 0.00 0.00 179.97 178.88 1aou h GLN 20 N -0.01 -0.37 0.00 0.04 5.75 -1.06 0.18 115.11 119.65 1aou h GLN 20 Ca -0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1aou h GLN 20 Cb 0.00 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1aou h GLN 20 CO 0.00 -0.24 0.00 1.28 -2.65 0.00 0.00 178.83 177.22 1aou n LEU 21 N -5.40 0.00 0.00 -2.39 4.32 -0.96 -1.60 117.00 110.97 1aou n LEU 21 Ca -0.02 0.88 0.00 0.00 -0.02 0.00 0.00 56.01 56.84 1aou n LEU 21 Cb 0.35 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1aou n LEU 21 CO 0.02 -0.38 0.33 0.18 -1.22 0.00 0.00 177.39 176.33 1aou n LEU 22 N -2.02 0.00 -4.54 2.23 4.77 0.07 -2.82 117.00 114.70 1aou n LEU 22 Ca 0.00 0.66 -0.22 0.00 -0.03 0.00 0.00 56.01 56.42 1aou n LEU 22 Cb 0.00 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1aou n LEU 22 CO 0.00 -0.16 1.69 -1.54 -1.33 0.00 0.00 177.39 176.05 1aou n SER 23 N -1.53 0.82 0.00 -1.43 3.41 0.61 -4.36 113.62 111.13 1aou n SER 23 Ca 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1aou n SER 23 Cb 0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 1aou n SER 23 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1aou n PHE 24 N 13.79 0.00 -2.20 7.33 3.72 -1.22 -4.66 117.46 134.22 1aou n PHE 24 Ca 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 1aou n PHE 24 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1aou n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aou n GLY 25 N 0.00 -0.41 0.26 1.37 0.00 -0.63 -4.26 105.19 101.52 1aou n GLY 25 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1aou n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aou n ASN 26 N -1.10 -1.44 -3.76 1.61 5.03 -1.26 -4.62 115.26 109.71 1aou n ASN 26 Ca 0.00 0.26 -0.28 0.00 0.87 0.00 0.00 54.58 55.42 1aou n ASN 26 Cb 0.41 -0.90 0.21 0.00 -1.02 0.00 0.00 39.78 38.48 1aou n ASN 26 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1aou n PRO 27 N -2.48 -1.67 -1.21 3.52 -0.04 -1.26 -4.81 135.00 127.05 1aou n PRO 27 Ca -0.02 -1.91 -0.38 0.00 -0.04 0.00 0.00 63.50 61.16 1aou n PRO 27 Cb 0.12 -1.38 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1aou n PRO 27 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1aou n ARG 28 N -3.95 0.09 -0.46 0.54 1.85 -1.26 -3.15 116.66 110.32 1aou n ARG 28 Ca 0.16 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 1aou n ARG 28 Cb 0.56 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 1aou n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aou n GLY 29 N 2.51 0.74 3.31 2.89 0.00 -0.33 -5.00 105.19 109.30 1aou n GLY 29 Ca 0.06 -0.31 -0.46 0.00 0.00 0.00 0.00 46.02 45.31 1aou n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aou s THR 30 N -2.00 5.33 -0.33 2.61 2.01 -1.19 -2.31 115.64 119.76 1aou s THR 30 Ca 0.00 -1.83 -0.10 0.00 0.31 0.00 0.00 61.69 60.07 1aou s THR 30 Cb 0.00 -4.37 0.01 0.00 0.01 0.00 0.00 72.50 68.14 1aou s THR 30 CO 0.00 -0.92 0.17 -0.36 -0.69 0.00 0.00 174.62 172.82 1aou s PHE 31 N 1.12 3.20 0.08 4.92 0.08 -1.26 -0.04 117.98 126.08 1aou s PHE 31 Ca 0.08 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.39 1aou s PHE 31 Cb -0.23 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 39.84 1aou s PHE 31 CO -0.01 -0.54 0.06 1.47 -0.10 0.00 0.00 175.22 176.11 1aou n LEU 32 N 4.98 0.00 -4.33 -0.37 -0.00 0.56 -2.06 117.00 115.78 1aou n LEU 32 Ca -0.13 -0.40 -0.17 0.00 -0.00 0.00 0.00 56.01 55.31 1aou n LEU 32 Cb 0.48 -0.01 -0.10 0.00 -0.00 0.00 0.00 43.42 43.79 1aou n LEU 32 CO 0.35 -0.32 -0.25 -0.63 -0.00 0.00 0.00 177.39 176.54 1aou s ILE 33 N -0.30 0.57 0.00 1.47 1.01 0.81 -0.91 121.20 123.86 1aou s ILE 33 Ca 0.05 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.70 1aou s ILE 33 Cb -0.00 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1aou s ILE 33 CO 0.03 0.00 0.00 -2.11 0.00 0.00 0.00 174.94 172.86 1aou n ARG 34 N -0.49 0.00 -2.13 2.79 1.85 -0.77 -1.75 116.66 116.16 1aou n ARG 34 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1aou n ARG 34 Cb 0.66 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.05 1aou n ARG 34 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1aou s GLU 35 N -2.00 4.35 -0.10 2.89 2.02 -0.77 0.19 118.70 125.28 1aou s GLU 35 Ca 0.00 2.18 -0.26 0.00 0.02 0.00 0.00 54.97 56.91 1aou s GLU 35 Cb 0.00 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 1aou s GLU 35 CO 0.00 -0.26 0.84 -1.12 0.02 0.00 0.00 175.26 174.74 1aou s SER 36 N -0.00 7.07 -0.05 -0.19 0.01 -0.38 -4.24 113.70 115.92 1aou s SER 36 Ca 0.54 1.31 0.08 0.00 1.31 0.00 0.00 55.95 59.19 1aou s SER 36 Cb -0.39 -2.47 0.32 0.00 0.21 0.00 0.00 66.02 63.69 1aou s SER 36 CO 0.45 -0.29 1.14 -0.62 0.41 0.00 0.00 173.24 174.33 1aou n GLU 37 N 4.51 2.23 -0.02 12.44 1.02 -1.26 -3.38 120.64 136.18 1aou n GLU 37 Ca 0.03 -1.26 -0.21 0.00 -0.02 0.00 0.00 57.16 55.70 1aou n GLU 37 Cb 0.50 -1.55 -0.13 0.00 -0.02 0.00 0.00 31.44 30.24 1aou n GLU 37 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1aou n THR 38 N 0.35 1.73 -2.90 2.62 5.66 -1.26 -4.93 114.28 115.54 1aou n THR 38 Ca 0.11 -0.57 -0.18 0.00 -3.05 0.00 0.00 64.05 60.36 1aou n THR 38 Cb 0.47 -1.75 0.02 0.00 -1.55 0.00 0.00 70.33 67.52 1aou n THR 38 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1aou s THR 39 N -2.53 2.84 0.51 1.09 2.01 -1.25 -4.91 115.64 113.40 1aou s THR 39 Ca -0.24 -0.90 0.45 0.00 0.31 0.00 0.00 61.69 61.31 1aou s THR 39 Cb 0.07 -2.93 0.67 0.00 0.01 0.00 0.00 72.50 70.31 1aou s THR 39 CO 0.73 0.00 1.47 0.29 -0.69 0.00 0.00 174.62 176.42 1aou n LYS 40 N -2.03 -0.00 0.00 4.92 5.02 -1.26 -4.10 118.16 120.70 1aou n LYS 40 Ca 0.09 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 1aou n LYS 40 Cb 0.59 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1aou n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aou n GLY 41 N -1.82 -1.46 0.00 0.72 0.00 -1.26 -5.04 105.19 96.33 1aou n GLY 41 Ca 0.41 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1aou n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aou n ALA 42 N 0.00 0.00 -3.44 4.61 0.00 -1.22 -4.75 120.51 115.71 1aou n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1aou n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1aou n ALA 42 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1aou n TYR 43 N -0.04 -0.51 -3.56 0.00 4.19 -0.42 -1.24 117.16 115.57 1aou n TYR 43 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1aou n TYR 43 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 1aou n TYR 43 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 1aou s SER 44 N -0.53 -0.42 -0.33 2.98 0.01 0.50 -1.06 113.70 114.84 1aou s SER 44 Ca 0.00 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 1aou s SER 44 Cb 0.00 0.57 0.13 0.00 0.21 0.00 0.00 66.02 66.93 1aou s SER 44 CO 0.00 -0.96 0.25 -0.22 0.41 0.00 0.00 173.24 172.72 1aou s LEU 45 N -2.74 0.34 0.44 2.44 2.96 -0.33 -1.85 118.68 119.95 1aou s LEU 45 Ca 0.05 -1.53 -0.08 0.00 -0.22 0.00 0.00 54.13 52.35 1aou s LEU 45 Cb -0.02 0.06 -0.05 0.00 0.50 0.00 0.00 46.19 46.68 1aou s LEU 45 CO -0.07 -0.34 0.77 -0.44 -1.32 0.00 0.00 176.35 174.96 1aou s SER 46 N 1.66 6.39 0.05 3.68 0.01 -0.08 -0.20 113.70 125.22 1aou s SER 46 Ca 0.14 1.03 0.05 0.00 1.31 0.00 0.00 55.95 58.47 1aou s SER 46 Cb -0.18 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1aou s SER 46 CO -0.16 -0.48 -0.13 0.27 0.41 0.00 0.00 173.24 173.15 1aou s ILE 47 N -2.55 1.01 -0.47 1.44 -4.36 -0.69 -0.32 121.20 115.26 1aou s ILE 47 Ca 0.49 -1.13 -0.14 0.00 -0.26 0.00 0.00 60.65 59.61 1aou s ILE 47 Cb -0.10 -0.96 0.09 0.00 1.25 0.00 0.00 42.46 42.73 1aou s ILE 47 CO 0.38 -0.15 0.38 -0.60 0.24 0.00 0.00 174.94 175.19 1aou s ARG 48 N -1.45 2.87 -0.16 0.37 3.00 0.94 -0.67 118.95 123.85 1aou s ARG 48 Ca -0.02 -1.46 -0.01 0.00 -1.00 0.00 0.00 55.73 53.24 1aou s ARG 48 Cb -0.09 -4.08 -0.01 0.00 0.00 0.00 0.00 34.95 30.77 1aou s ARG 48 CO 0.02 -1.07 -0.10 0.16 0.00 0.00 0.00 175.30 174.30 1aou s ASP 49 N 2.68 4.16 0.32 -2.12 1.47 0.46 -1.19 116.67 122.44 1aou s ASP 49 Ca 0.04 -0.33 0.06 0.00 1.18 0.00 0.00 52.55 53.50 1aou s ASP 49 Cb -0.25 -1.66 -0.06 0.00 -0.34 0.00 0.00 42.92 40.60 1aou s ASP 49 CO 0.05 0.12 -0.01 0.86 0.68 0.00 0.00 175.17 176.87 1aou s TRP 50 N 0.65 2.05 -0.00 2.11 -0.00 -1.26 0.24 118.94 122.72 1aou s TRP 50 Ca -0.05 -0.78 -0.19 0.00 -0.00 0.00 0.00 56.10 55.08 1aou s TRP 50 Cb -0.15 -1.28 0.03 0.00 -0.00 0.00 0.00 33.47 32.08 1aou s TRP 50 CO 0.02 0.21 0.40 -0.51 -0.00 0.00 0.00 176.95 177.08 1aou s ASP 51 N -3.50 -0.30 -0.22 5.86 1.01 -0.50 -4.91 116.67 114.11 1aou s ASP 51 Ca 0.33 0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.75 1aou s ASP 51 Cb 0.06 0.38 0.18 0.00 1.01 0.00 0.00 42.92 44.56 1aou s ASP 51 CO 0.14 -0.54 1.84 -0.90 0.21 0.00 0.00 175.17 175.91 1aou n ASP 52 N 0.96 5.44 -0.11 0.27 5.68 -1.26 -2.57 116.55 124.97 1aou n ASP 52 Ca -0.20 -2.83 0.00 0.00 -0.50 0.00 0.00 54.79 51.26 1aou n ASP 52 Cb 0.57 -0.96 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1aou n ASP 52 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1aou n MET 53 N 0.43 0.00 0.00 0.11 2.81 -1.26 -4.93 117.12 114.28 1aou n MET 53 Ca 0.23 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.60 1aou n MET 53 Cb 0.66 -0.43 0.00 0.00 -0.71 0.00 0.00 33.22 32.74 1aou n MET 53 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1aou n LYS 54 N 0.00 0.00 0.00 0.03 2.85 -1.23 -5.16 118.16 114.65 1aou n LYS 54 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1aou n LYS 54 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 1aou n LYS 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aou n GLY 55 N -0.23 0.53 3.93 2.58 0.00 -1.06 -5.02 105.19 105.92 1aou n GLY 55 Ca 0.00 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 1aou n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aou s ASP 56 N -4.00 3.75 0.23 1.61 1.11 -1.26 -1.40 116.67 116.70 1aou s ASP 56 Ca 0.00 0.33 -0.16 0.00 0.18 0.00 0.00 52.55 52.90 1aou s ASP 56 Cb 0.00 -0.58 0.06 0.00 1.07 0.00 0.00 42.92 43.47 1aou s ASP 56 CO 0.00 -2.33 0.79 1.41 1.18 0.00 0.00 175.17 176.23 1aou n HIS 57 N -3.47 -1.60 -3.66 4.23 8.25 0.67 -4.83 115.22 114.80 1aou n HIS 57 Ca 0.13 -1.28 -0.07 0.00 -0.26 0.00 0.00 57.72 56.24 1aou n HIS 57 Cb 0.60 0.63 -0.08 0.00 1.12 0.00 0.00 29.99 32.26 1aou n HIS 57 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1aou s VAL 58 N -2.18 -0.21 0.04 1.59 1.01 -1.25 -0.40 120.40 119.00 1aou s VAL 58 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1aou s VAL 58 Cb -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1aou s VAL 58 CO 0.07 0.01 0.05 1.17 0.00 0.00 0.00 175.10 176.40 1aou n LYS 59 N 4.56 0.91 -3.53 2.72 3.00 0.15 -4.86 118.16 121.11 1aou n LYS 59 Ca -0.19 -0.19 -0.15 0.00 -0.00 0.00 0.00 58.31 57.78 1aou n LYS 59 Cb 0.56 -0.02 -0.05 0.00 0.00 0.00 0.00 35.03 35.52 1aou n LYS 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1aou s HIS 60 N 0.65 -0.51 -0.35 5.64 3.76 -1.26 -1.70 115.29 121.52 1aou s HIS 60 Ca 0.04 0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 55.56 1aou s HIS 60 Cb -0.00 0.40 0.13 0.00 1.11 0.00 0.00 32.58 34.22 1aou s HIS 60 CO 0.02 -0.67 0.20 0.71 -0.85 0.00 0.00 174.74 174.15 1aou s TYR 61 N -2.34 0.90 -0.23 1.40 2.02 0.72 -4.94 117.35 114.88 1aou s TYR 61 Ca -0.06 -1.63 -0.39 0.00 -0.37 0.00 0.00 57.07 54.63 1aou s TYR 61 Cb -0.01 -1.10 -0.15 0.00 -0.40 0.00 0.00 41.96 40.31 1aou s TYR 61 CO -0.01 -0.83 1.78 1.17 -1.57 0.00 0.00 175.55 176.10 1aou n LYS 62 N 4.20 1.43 -2.85 -0.62 0.00 -1.26 -1.18 118.16 117.88 1aou n LYS 62 Ca 0.08 0.52 -0.42 0.00 0.00 0.00 0.00 58.31 58.49 1aou n LYS 62 Cb 0.38 -2.25 -0.04 0.00 0.00 0.00 0.00 35.03 33.12 1aou n LYS 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1aou s ILE 63 N 3.68 4.81 0.90 3.15 1.01 -0.23 -4.56 121.20 129.96 1aou s ILE 63 Ca 0.97 1.65 -0.12 0.00 0.00 0.00 0.00 60.65 63.14 1aou s ILE 63 Cb -0.97 -4.15 0.17 0.00 0.01 0.00 0.00 42.46 37.53 1aou s ILE 63 CO 0.62 -0.09 1.24 -0.13 0.00 0.00 0.00 174.94 176.58 1aou s ARG 64 N 2.89 0.97 -0.27 2.79 1.81 -0.18 -1.30 118.95 125.66 1aou s ARG 64 Ca 0.36 -0.53 -0.11 0.00 -1.72 0.00 0.00 55.73 53.73 1aou s ARG 64 Cb -0.15 -1.96 0.11 0.00 -0.45 0.00 0.00 34.95 32.49 1aou s ARG 64 CO 0.07 -2.14 0.62 0.21 -0.68 0.00 0.00 175.30 173.38 1aou s LYS 65 N -5.70 0.57 0.42 3.54 2.20 -1.26 -2.31 119.74 117.21 1aou s LYS 65 Ca 0.71 1.30 -0.23 0.00 -0.36 0.00 0.00 55.97 57.39 1aou s LYS 65 Cb -0.05 0.54 -0.09 0.00 -1.51 0.00 0.00 37.83 36.73 1aou s LYS 65 CO 0.51 -0.19 1.05 -0.51 -0.36 0.00 0.00 175.35 175.85 1aou s LEU 66 N 2.41 4.07 0.43 5.43 2.01 -0.58 -4.86 118.68 127.59 1aou s LEU 66 Ca -0.07 2.02 0.29 0.00 0.01 0.00 0.00 54.13 56.38 1aou s LEU 66 Cb -0.10 -4.27 1.14 0.00 0.01 0.00 0.00 46.19 42.97 1aou s LEU 66 CO -0.18 -0.56 1.86 0.44 1.01 0.00 0.00 176.35 178.92 1aou h ASP 67 N 2.28 0.00 0.61 2.29 5.19 -2.01 -0.87 116.42 123.92 1aou h ASP 67 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1aou h ASP 67 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1aou h ASP 67 CO 0.62 0.00 -0.22 0.59 -3.12 0.00 0.00 179.24 177.11 1aou n ASN 68 N -2.77 0.35 0.00 6.45 3.02 -1.26 -4.94 115.26 116.10 1aou n ASN 68 Ca 0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1aou n ASN 68 Cb 0.30 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1aou n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aou n GLY 69 N 1.43 0.34 3.08 7.41 0.00 -0.33 -5.12 105.19 112.00 1aou n GLY 69 Ca 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1aou n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aou s GLY 70 N 0.00 -1.32 -0.12 -0.02 0.00 -1.18 -4.67 107.32 100.01 1aou s GLY 70 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.71 1aou s GLY 70 CO 0.00 3.77 1.34 -0.19 0.00 0.00 0.00 173.10 178.02 1aou s TYR 71 N 1.72 2.72 -0.11 1.90 2.02 0.20 -1.53 117.35 124.27 1aou s TYR 71 Ca 0.18 0.86 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 1aou s TYR 71 Cb -0.02 -3.59 0.05 0.00 -0.40 0.00 0.00 41.96 38.00 1aou s TYR 71 CO -0.08 -2.13 0.23 1.52 -1.57 0.00 0.00 175.55 173.52 1aou s TYR 72 N 3.37 -0.33 -0.02 2.71 1.13 -0.98 0.04 117.35 123.27 1aou s TYR 72 Ca 0.59 0.80 0.16 0.00 -1.41 0.00 0.00 57.07 57.21 1aou s TYR 72 Cb -0.25 -0.03 0.27 0.00 -1.10 0.00 0.00 41.96 40.85 1aou s TYR 72 CO 0.19 -0.27 1.54 0.82 -2.51 0.00 0.00 175.55 175.32 1aou h ILE 73 N 6.09 0.92 -4.13 -3.49 2.04 -1.80 -0.44 117.51 116.69 1aou h ILE 73 Ca -0.29 -2.05 -0.45 0.00 1.00 0.00 0.00 64.86 63.07 1aou h ILE 73 Cb 1.14 2.28 -0.29 0.00 -0.74 0.00 0.00 36.82 39.20 1aou h ILE 73 CO 0.27 0.48 -0.80 0.28 0.00 0.00 0.00 178.15 178.39 1aou s THR 74 N -3.17 0.96 -1.19 -0.27 -1.32 -1.26 -4.67 115.64 104.72 1aou s THR 74 Ca 0.02 -0.52 0.03 0.00 -1.21 0.00 0.00 61.69 60.02 1aou s THR 74 Cb 0.09 -0.80 0.04 0.00 -1.51 0.00 0.00 72.50 70.31 1aou s THR 74 CO 0.73 0.27 1.01 0.35 -2.21 0.00 0.00 174.62 174.77 1aou n THR 75 N 2.80 1.47 0.30 5.08 -2.24 -1.26 -1.72 114.28 118.70 1aou n THR 75 Ca -0.14 0.37 0.18 0.00 -2.27 0.00 0.00 64.05 62.19 1aou n THR 75 Cb 0.56 -1.32 0.79 0.00 -2.10 0.00 0.00 70.33 68.26 1aou n THR 75 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1aou h ARG 76 N 0.00 0.00 -1.84 -0.78 2.43 -1.95 -3.43 114.38 108.80 1aou h ARG 76 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1aou h ARG 76 Cb 0.04 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 29.36 1aou h ARG 76 CO 0.00 0.00 0.16 0.00 -1.51 0.00 0.00 179.97 178.62 1aou s ALA 77 N -3.74 -1.98 0.39 2.80 0.00 -0.70 -5.17 121.76 113.35 1aou s ALA 77 Ca -0.00 2.29 0.05 0.00 0.00 0.00 0.00 51.96 54.30 1aou s ALA 77 Cb 0.10 -1.48 -0.06 0.00 0.00 0.00 0.00 23.12 21.67 1aou s ALA 77 CO 0.50 -0.36 0.04 1.14 0.00 0.00 0.00 175.76 177.08 1aou s GLN 78 N 1.32 1.86 0.00 0.00 0.00 -1.26 -4.25 119.66 117.34 1aou s GLN 78 Ca -0.08 -2.07 0.00 0.00 -0.00 0.00 0.00 55.36 53.22 1aou s GLN 78 Cb -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 33.01 31.69 1aou s GLN 78 CO -0.15 -0.16 0.00 1.19 0.00 0.00 0.00 175.29 176.17 1aou n PHE 79 N -0.89 -0.12 -0.07 9.60 3.01 0.11 -4.75 117.46 124.35 1aou n PHE 79 Ca -0.05 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.36 1aou n PHE 79 Cb 0.67 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.98 1aou n PHE 79 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1aou n GLU 80 N 0.00 0.68 -4.17 -1.08 0.28 -1.26 -0.63 120.64 114.47 1aou n GLU 80 Ca 0.00 -0.04 -0.16 0.00 -0.16 0.00 0.00 57.16 56.80 1aou n GLU 80 Cb 0.00 -1.54 -0.06 0.00 1.43 0.00 0.00 31.44 31.28 1aou n GLU 80 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1aou s THR 81 N -2.73 0.00 0.04 3.84 -1.32 -1.26 -4.74 115.64 109.47 1aou s THR 81 Ca -0.09 -1.76 0.02 0.00 -1.21 0.00 0.00 61.69 58.65 1aou s THR 81 Cb 0.08 -2.59 -0.25 0.00 -1.51 0.00 0.00 72.50 68.23 1aou s THR 81 CO 0.85 0.00 1.00 -0.07 -2.21 0.00 0.00 174.62 174.19 1aou h LEU 82 N 2.13 0.22 -1.29 9.08 4.07 -1.96 -2.59 115.31 124.97 1aou h LEU 82 Ca -0.27 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.35 1aou h LEU 82 Cb 1.24 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1aou h LEU 82 CO 0.38 1.24 -0.24 -0.61 -1.08 0.00 0.00 178.44 178.13 1aou h GLN 83 N 0.04 0.00 0.19 1.13 5.75 -1.97 -0.47 115.11 119.78 1aou h GLN 83 Ca -0.16 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.03 1aou h GLN 83 Cb 1.94 0.00 0.02 0.00 1.07 0.00 0.00 27.48 30.51 1aou h GLN 83 CO 0.15 0.24 -1.36 1.96 -2.65 0.00 0.00 178.83 177.17 1aou h GLN 84 N 0.00 0.43 0.00 1.69 7.50 -1.95 -1.31 115.11 121.47 1aou h GLN 84 Ca -0.00 -0.72 -0.12 0.00 0.50 0.00 0.00 58.65 58.30 1aou h GLN 84 Cb 0.67 0.27 -0.02 0.00 0.05 0.00 0.00 27.48 28.45 1aou h GLN 84 CO 0.03 1.34 -0.59 1.37 -1.50 0.00 0.00 178.83 179.48 1aou h LEU 85 N 0.12 0.00 -0.25 1.46 8.10 -1.20 -1.21 115.31 122.33 1aou h LEU 85 Ca -0.20 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.74 1aou h LEU 85 Cb 2.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.28 1aou h LEU 85 CO 0.24 0.59 -0.25 -0.37 -4.11 0.00 0.00 178.44 174.54 1aou h VAL 86 N 0.00 0.46 -0.21 0.15 -1.51 -1.11 0.29 116.25 114.31 1aou h VAL 86 Ca -0.01 -1.52 -0.08 0.00 -1.23 0.00 0.00 66.70 63.87 1aou h VAL 86 Cb 1.19 2.12 -0.00 0.00 -2.13 0.00 0.00 31.29 32.46 1aou h VAL 86 CO 0.08 0.25 -0.17 -0.61 -1.23 0.00 0.00 177.57 175.88 1aou h GLN 87 N 0.00 0.49 0.10 5.19 4.15 -0.35 0.27 115.11 124.96 1aou h GLN 87 Ca -0.00 -0.24 -0.27 0.00 0.77 0.00 0.00 58.65 58.91 1aou h GLN 87 Cb 1.10 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 1aou h GLN 87 CO 0.03 0.81 -1.24 1.25 -1.93 0.00 0.00 178.83 177.75 1aou h HIS 88 N 0.18 0.40 0.00 3.99 2.76 -1.17 -3.04 115.15 118.27 1aou h HIS 88 Ca 0.04 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1aou h HIS 88 Cb 0.70 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1aou h HIS 88 CO 0.07 1.24 0.00 0.66 -1.30 0.00 0.00 177.93 178.60 1aou n TYR 89 N -3.49 0.00 0.08 5.26 4.02 0.10 -2.22 117.16 120.92 1aou n TYR 89 Ca -0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.70 1aou n TYR 89 Cb 1.01 -0.41 -0.11 0.00 -0.02 0.00 0.00 39.34 39.81 1aou n TYR 89 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1aou h SER 90 N 0.00 0.22 0.58 7.72 0.02 -0.34 -3.27 113.55 118.49 1aou h SER 90 Ca 0.00 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1aou h SER 90 Cb 0.33 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1aou h SER 90 CO 0.00 1.16 -1.42 -0.62 -1.14 0.00 0.00 176.83 174.81 1aou n GLU 91 N -3.47 0.63 -4.24 3.45 1.02 -1.13 -4.96 120.64 111.93 1aou n GLU 91 Ca -0.04 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 1aou n GLU 91 Cb 0.96 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 30.58 1aou n GLU 91 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1aou s ARG 92 N -3.42 1.39 0.08 3.49 1.70 -0.94 -5.04 118.95 116.21 1aou s ARG 92 Ca -0.04 -1.77 0.03 0.00 -0.47 0.00 0.00 55.73 53.48 1aou s ARG 92 Cb 0.11 0.21 -0.24 0.00 -0.57 0.00 0.00 34.95 34.46 1aou s ARG 92 CO 0.84 -0.45 1.14 0.00 -1.08 0.00 0.00 175.30 175.75 1aou h ALA 93 N 2.44 0.29 0.00 7.88 0.00 -1.85 -3.37 119.26 124.65 1aou h ALA 93 Ca -0.33 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1aou h ALA 93 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1aou h ALA 93 CO 0.49 1.17 0.00 0.00 0.00 0.00 0.00 179.25 180.92 1aou n ALA 94 N -2.46 0.00 0.00 0.00 0.00 -1.26 -3.83 120.51 112.96 1aou n ALA 94 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1aou n ALA 94 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.44 1aou n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aou n GLY 95 N -2.00 1.30 3.22 0.00 0.00 -1.26 -4.89 105.19 101.57 1aou n GLY 95 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1aou n GLY 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1aou n LEU 96 N 0.00 0.00 -2.05 0.99 -0.00 -1.25 -4.98 117.00 109.71 1aou n LEU 96 Ca 0.00 -1.69 -0.12 0.00 -0.00 0.00 0.00 56.01 54.21 1aou n LEU 96 Cb 0.00 -0.57 0.26 0.00 -0.00 0.00 0.00 43.42 43.11 1aou n LEU 96 CO 0.00 -0.95 1.11 -1.54 -0.00 0.00 0.00 177.39 176.01 1aou n SER 97 N -3.02 4.42 -2.71 1.45 3.41 -1.26 -4.68 113.62 111.23 1aou n SER 97 Ca 0.14 -3.37 -0.03 0.00 -0.26 0.00 0.00 58.87 55.35 1aou n SER 97 Cb 0.49 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1aou n SER 97 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1aou s SER 98 N -1.18 -0.61 0.00 4.04 0.01 -1.26 -5.13 113.70 109.57 1aou s SER 98 Ca 0.55 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1aou s SER 98 Cb 0.45 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.48 1aou s SER 98 CO 0.12 -0.02 0.00 -2.11 0.41 0.00 0.00 173.24 171.64 1aou n ARG 99 N 2.78 0.00 -1.53 12.44 1.85 -1.26 -4.93 116.66 126.01 1aou n ARG 99 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.94 1aou n ARG 99 Cb 0.62 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.04 1aou n ARG 99 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1aou n LEU 100 N 0.00 0.00 -4.64 2.89 -0.00 -1.26 -4.77 117.00 109.23 1aou n LEU 100 Ca 0.00 -0.40 -0.47 0.00 -0.00 0.00 0.00 56.01 55.13 1aou n LEU 100 Cb 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 43.42 43.34 1aou n LEU 100 CO 0.00 -0.44 1.04 1.33 -0.00 0.00 0.00 177.39 179.33 1aou n VAL 101 N -0.99 0.26 -0.21 1.47 0.24 -0.88 -4.30 118.33 113.92 1aou n VAL 101 Ca 0.01 -0.06 0.02 0.00 -2.04 0.00 0.00 64.34 62.26 1aou n VAL 101 Cb 0.09 -1.29 0.13 0.00 -1.47 0.00 0.00 33.84 31.30 1aou n VAL 101 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1aou h VAL 102 N 3.35 0.67 0.00 3.34 2.07 -1.81 -3.28 116.25 120.60 1aou h VAL 102 Ca -0.45 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1aou h VAL 102 Cb 1.29 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1aou h VAL 102 CO 0.82 0.06 0.00 -0.81 0.02 0.00 0.00 177.57 177.66 1aou n PRO 103 N -5.07 0.00 -1.87 1.57 -0.04 -1.26 -5.04 135.00 123.28 1aou n PRO 103 Ca 0.10 0.40 -0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1aou n PRO 103 Cb 0.33 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1aou n PRO 103 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1aou n SER 104 N -1.71 -3.42 -4.44 3.54 2.88 -1.24 -4.89 113.62 104.34 1aou n SER 104 Ca 0.00 0.01 -0.51 0.00 -1.33 0.00 0.00 58.87 57.04 1aou n SER 104 Cb 0.00 -2.05 -0.04 0.00 -0.75 0.00 0.00 64.21 61.36 1aou n SER 104 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1aou n HIS 105 N -1.04 -0.05 0.00 0.66 8.25 -1.26 -4.99 115.22 116.78 1aou n HIS 105 Ca 0.01 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 1aou n HIS 105 Cb 0.42 -2.02 0.00 0.00 1.12 0.00 0.00 29.99 29.52 1aou n HIS 105 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15