#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aou s ILE 2 N 0.00 2.48 0.18 -1.33 -4.36 -1.26 -4.92 121.20 112.00 1aou s ILE 2 Ca 0.00 0.16 -0.25 0.00 -0.26 0.00 0.00 60.65 60.30 1aou s ILE 2 Cb 0.00 -2.86 0.07 0.00 1.25 0.00 0.00 42.46 40.91 1aou s ILE 2 CO 0.00 -0.21 1.56 -0.61 0.24 0.00 0.00 174.94 175.92 1aou h GLN 3 N -1.37 -0.13 -7.07 0.37 5.75 -1.93 -3.43 115.11 107.29 1aou h GLN 3 Ca -0.49 0.01 -0.61 0.00 -0.15 0.00 0.00 58.65 57.41 1aou h GLN 3 Cb 1.30 0.03 -0.33 0.00 1.07 0.00 0.00 27.48 29.56 1aou h GLN 3 CO 0.60 -0.09 -0.89 0.00 -2.65 0.00 0.00 178.83 175.80 1aou n ALA 4 N -3.24 -1.28 -1.58 3.38 0.00 -1.26 -4.69 120.51 111.84 1aou n ALA 4 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1aou n ALA 4 Cb 0.35 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1aou n ALA 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1aou n GLU 5 N -4.18 0.00 0.00 0.00 0.28 -1.20 -4.71 120.64 110.83 1aou n GLU 5 Ca 0.08 -0.40 0.00 0.00 -0.16 0.00 0.00 57.16 56.67 1aou n GLU 5 Cb 0.48 -0.31 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1aou n GLU 5 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1aou n GLU 6 N 0.00 0.00 -0.05 3.44 1.02 -1.26 -4.67 120.64 119.12 1aou n GLU 6 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1aou n GLU 6 Cb 0.54 -0.09 0.02 0.00 -0.02 0.00 0.00 31.44 31.89 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 -1.18 0.00 -3.69 -0.32 4.27 -1.26 -4.51 117.44 110.75 1aou n TRP 7 Ca 0.00 -0.41 -0.10 0.00 -3.89 0.00 0.00 57.50 53.10 1aou n TRP 7 Cb 0.00 -0.05 -0.10 0.00 -1.36 0.00 0.00 31.31 29.80 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 -0.94 -0.63 -0.23 -2.67 6.14 -1.26 0.27 117.35 118.02 1aou s TYR 8 Ca 0.05 1.36 0.09 0.00 0.64 0.00 0.00 57.07 59.20 1aou s TYR 8 Cb 0.04 0.29 -0.21 0.00 0.42 0.00 0.00 41.96 42.51 1aou s TYR 8 CO 0.00 -0.35 -0.09 1.19 0.64 0.00 0.00 175.55 176.94 1aou n PHE 9 N 4.12 0.00 0.00 4.97 3.01 -0.68 -3.24 117.46 125.64 1aou n PHE 9 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 1aou n PHE 9 Cb 0.56 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 2.03 0.89 2.77 1.37 0.00 -1.26 -4.91 105.19 106.08 1aou n GLY 10 Ca -0.40 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 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 3.07 -4.50 1.61 5.02 -1.26 -2.10 118.16 119.99 1aou n LYS 11 Ca 0.00 -4.59 -0.26 0.00 -2.02 0.00 0.00 58.31 51.44 1aou n LYS 11 Cb 0.00 -2.37 -0.10 0.00 -0.02 0.00 0.00 35.03 32.54 1aou n LYS 11 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1aou s LEU 12 N -2.27 2.79 0.00 -0.35 2.96 -1.26 -4.80 118.68 115.75 1aou s LEU 12 Ca 0.34 -1.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 1aou s LEU 12 Cb 0.06 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.67 1aou s LEU 12 CO -0.01 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 1aou n GLY 13 N -0.83 3.36 0.14 7.98 0.00 -1.26 -3.03 105.19 111.55 1aou n GLY 13 Ca -0.05 -2.13 0.05 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.39 1.61 0.11 -1.94 -2.57 114.38 111.20 1aou h ARG 14 Ca 0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 1aou h ARG 14 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1aou h ARG 14 CO 0.00 0.25 -0.38 -0.22 0.10 0.00 0.00 179.97 179.72 1aou h LYS 15 N 0.00 0.94 0.06 0.08 3.11 -2.00 -2.75 116.57 116.00 1aou h LYS 15 Ca -0.04 -0.49 -0.15 0.00 -2.81 0.00 0.00 60.65 57.15 1aou h LYS 15 Cb 1.29 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 32.55 1aou h LYS 15 CO 0.03 1.15 -0.62 0.22 -2.81 0.00 0.00 179.45 177.43 1aou h ASP 16 N 0.76 0.45 -0.91 4.20 1.82 -1.97 -2.74 116.42 118.03 1aou h ASP 16 Ca 0.06 -0.85 0.25 0.00 -0.39 0.00 0.00 57.03 56.11 1aou h ASP 16 Cb 0.97 -0.14 -0.16 0.00 0.68 0.00 0.00 39.33 40.69 1aou h ASP 16 CO 0.09 1.25 0.16 0.00 -1.61 0.00 0.00 179.24 179.14 1aou h ALA 17 N 0.20 1.25 -0.31 -0.78 0.00 -1.44 1.29 119.26 119.48 1aou h ALA 17 Ca -0.09 0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1aou h ALA 17 Cb 1.40 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1aou h ALA 17 CO 0.12 -0.54 -0.45 1.05 0.00 0.00 0.00 179.25 179.43 1aou h GLU 18 N 0.11 0.79 0.00 0.00 4.11 -1.51 -2.48 114.58 115.60 1aou h GLU 18 Ca 0.58 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1aou h GLU 18 Cb 1.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1aou h GLU 18 CO -0.76 1.08 0.00 -2.13 0.07 0.00 0.00 179.01 177.27 1aou n ARG 19 N -4.02 0.00 -0.07 1.06 3.00 0.42 -0.84 116.66 116.20 1aou n ARG 19 Ca -0.03 0.52 -0.14 0.00 -0.00 0.00 0.00 57.85 58.20 1aou n ARG 19 Cb 0.57 -1.49 -0.09 0.00 0.00 0.00 0.00 32.46 31.45 1aou n ARG 19 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1aou h GLN 20 N 0.00 -0.44 0.00 -0.14 5.75 -1.02 0.23 115.11 119.49 1aou h GLN 20 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1aou h GLN 20 Cb 0.00 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1aou h GLN 20 CO 0.00 -0.29 0.00 1.28 -2.65 0.00 0.00 178.83 177.17 1aou n LEU 21 N -5.21 0.00 -0.32 -2.39 4.32 -0.93 -0.24 117.00 112.23 1aou n LEU 21 Ca -0.04 0.91 0.34 0.00 -0.02 0.00 0.00 56.01 57.20 1aou n LEU 21 Cb 0.33 -0.41 0.59 0.00 -1.62 0.00 0.00 43.42 42.32 1aou n LEU 21 CO 0.04 -0.41 1.32 -0.07 -1.22 0.00 0.00 177.39 177.05 1aou h LEU 22 N 0.00 0.00 0.00 2.23 3.38 -0.82 -3.39 115.31 116.71 1aou h LEU 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aou h LEU 22 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1aou h LEU 22 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1aou n SER 23 N -3.53 -0.40 -4.39 -0.43 3.41 0.67 -4.87 113.62 104.10 1aou n SER 23 Ca 0.27 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.44 1aou n SER 23 Cb 1.55 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.44 1aou n SER 23 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1aou s PHE 24 N -0.20 3.19 0.00 7.33 -0.12 -1.26 -4.61 117.98 122.31 1aou s PHE 24 Ca 0.00 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 55.97 1aou s PHE 24 Cb 0.00 -3.41 0.00 0.00 -0.63 0.00 0.00 43.02 38.98 1aou s PHE 24 CO 0.00 -0.92 0.00 0.41 -0.05 0.00 0.00 175.22 174.66 1aou n GLY 25 N 5.21 0.27 3.61 1.99 0.00 -1.26 -5.12 105.19 109.89 1aou n GLY 25 Ca -0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1aou n GLY 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aou s ASN 26 N -0.99 -0.23 0.86 1.61 2.47 -1.26 -5.13 114.94 112.27 1aou s ASN 26 Ca 0.00 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.55 1aou s ASN 26 Cb 0.00 0.21 0.00 0.00 -1.45 0.00 0.00 41.25 40.01 1aou s ASN 26 CO 0.00 -0.20 0.00 -0.81 -3.72 0.00 0.00 177.10 172.37 1aou n PRO 27 N 0.75 -0.04 -0.82 0.43 -0.04 -1.26 -4.89 135.00 129.13 1aou n PRO 27 Ca -0.06 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.05 1aou n PRO 27 Cb 0.58 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.15 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 -0.95 -0.82 -0.58 0.54 1.85 -1.26 -3.25 116.66 112.19 1aou n ARG 28 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 1aou n ARG 28 Cb 0.00 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 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 2.62 1.00 3.31 2.89 0.00 -0.07 -4.91 105.19 110.03 1aou n GLY 29 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.25 5.06 -0.16 2.61 2.01 -1.20 -3.84 115.64 116.87 1aou s THR 30 Ca 0.00 -1.46 -0.01 0.00 0.31 0.00 0.00 61.69 60.53 1aou s THR 30 Cb 0.00 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 1aou s THR 30 CO 0.00 -0.80 -0.12 -0.36 -0.69 0.00 0.00 174.62 172.65 1aou s PHE 31 N 1.57 2.84 0.00 4.92 0.08 -1.26 0.47 117.98 126.60 1aou s PHE 31 Ca 0.03 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.22 1aou s PHE 31 Cb -0.28 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.25 1aou s PHE 31 CO 0.03 -0.38 0.00 1.47 -0.10 0.00 0.00 175.22 176.24 1aou n LEU 32 N 4.00 0.00 -4.38 -0.37 -0.00 0.19 -2.41 117.00 114.03 1aou n LEU 32 Ca -0.19 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.63 1aou n LEU 32 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 1aou n LEU 32 CO 0.29 -0.20 -0.25 -0.63 -0.00 0.00 0.00 177.39 176.61 1aou s ILE 33 N 0.03 0.74 0.00 1.47 1.01 0.75 0.83 121.20 126.04 1aou s ILE 33 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1aou s ILE 33 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1aou s ILE 33 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 174.94 172.83 1aou n ARG 34 N -0.60 0.00 -1.64 2.79 1.85 -0.80 -1.69 116.66 116.57 1aou n ARG 34 Ca -0.01 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.39 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 -0.85 -0.01 0.00 0.00 177.63 176.77 1aou n GLU 35 N -0.13 1.74 -2.98 2.89 0.28 -0.89 -1.10 120.64 120.45 1aou n GLU 35 Ca 0.00 0.61 -0.32 0.00 -0.16 0.00 0.00 57.16 57.29 1aou n GLU 35 Cb 0.00 -2.14 -0.06 0.00 1.43 0.00 0.00 31.44 30.67 1aou n GLU 35 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1aou s SER 36 N -0.18 6.81 -0.14 -1.84 0.01 -0.33 -4.16 113.70 113.87 1aou s SER 36 Ca 0.62 1.42 0.15 0.00 1.31 0.00 0.00 55.95 59.46 1aou s SER 36 Cb -0.67 -2.43 0.47 0.00 0.21 0.00 0.00 66.02 63.59 1aou s SER 36 CO 0.57 -0.29 1.37 -0.62 0.41 0.00 0.00 173.24 174.68 1aou n GLU 37 N -0.57 2.86 0.04 12.44 -0.58 -1.26 -3.80 120.64 129.77 1aou n GLU 37 Ca 0.05 -2.64 -0.22 0.00 -0.42 0.00 0.00 57.16 53.92 1aou n GLU 37 Cb 0.54 -1.70 -0.14 0.00 -0.57 0.00 0.00 31.44 29.57 1aou n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aou h THR 38 N 1.77 0.78 -4.29 2.62 1.03 -1.97 -3.48 112.91 109.37 1aou h THR 38 Ca 0.00 -2.42 -0.10 0.00 -0.01 0.00 0.00 66.41 63.88 1aou h THR 38 Cb 1.26 2.63 -0.01 0.00 -1.07 0.00 0.00 68.15 70.96 1aou h THR 38 CO 0.16 0.87 -0.05 1.07 -0.01 0.00 0.00 175.52 177.56 1aou n THR 39 N -3.56 0.00 -0.35 0.00 5.66 -1.26 -4.96 114.28 109.81 1aou n THR 39 Ca -0.28 -0.38 0.28 0.00 -3.05 0.00 0.00 64.05 60.62 1aou n THR 39 Cb 1.05 -0.32 0.54 0.00 -1.55 0.00 0.00 70.33 70.05 1aou n THR 39 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1aou h LYS 40 N 0.00 0.20 0.00 1.09 1.57 -1.93 -3.39 116.57 114.11 1aou h LYS 40 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1aou h LYS 40 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1aou h LYS 40 CO 0.10 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.52 1aou n GLY 41 N -1.33 -1.77 0.00 3.86 0.00 -1.26 -5.03 105.19 99.65 1aou n GLY 41 Ca 0.34 0.70 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 -3.45 4.61 0.00 -1.25 -4.76 120.51 115.65 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 0.66 0.00 0.00 0.00 177.50 178.16 1aou n TYR 43 N 0.00 0.00 -3.62 0.00 4.01 -1.11 -1.19 117.16 115.25 1aou n TYR 43 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1aou n TYR 43 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1aou n TYR 43 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1aou s SER 44 N -0.82 -0.37 -0.37 7.72 0.01 -0.26 -0.44 113.70 119.18 1aou s SER 44 Ca 0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1aou s SER 44 Cb 0.00 0.56 0.13 0.00 0.21 0.00 0.00 66.02 66.92 1aou s SER 44 CO 0.00 -0.97 0.20 -0.22 0.41 0.00 0.00 173.24 172.66 1aou s LEU 45 N -2.77 1.75 0.53 2.44 2.96 0.59 -1.90 118.68 122.28 1aou s LEU 45 Ca 0.07 -2.18 -0.19 0.00 -0.22 0.00 0.00 54.13 51.61 1aou s LEU 45 Cb -0.02 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.91 1aou s LEU 45 CO -0.04 -0.32 1.06 -0.44 -1.32 0.00 0.00 176.35 175.29 1aou s SER 46 N 0.99 6.04 0.04 3.68 0.01 0.24 -0.76 113.70 123.94 1aou s SER 46 Ca 0.16 1.94 0.05 0.00 1.31 0.00 0.00 55.95 59.42 1aou s SER 46 Cb -0.22 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 1aou s SER 46 CO -0.06 -0.99 -0.16 0.27 0.41 0.00 0.00 173.24 172.71 1aou s ILE 47 N -2.09 1.24 -0.16 1.44 -4.36 -0.65 0.56 121.20 117.19 1aou s ILE 47 Ca 0.67 -1.06 -0.06 0.00 -0.26 0.00 0.00 60.65 59.94 1aou s ILE 47 Cb -0.18 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.38 1aou s ILE 47 CO 0.27 0.04 0.04 -0.60 0.24 0.00 0.00 174.94 174.93 1aou s ARG 48 N -1.18 3.73 -0.24 0.37 6.06 0.18 -0.71 118.95 127.16 1aou s ARG 48 Ca 0.03 -0.37 -0.12 0.00 -2.50 0.00 0.00 55.73 52.77 1aou s ARG 48 Cb -0.08 -3.09 0.08 0.00 0.06 0.00 0.00 34.95 31.92 1aou s ARG 48 CO 0.01 0.38 0.57 0.34 -2.50 0.00 0.00 175.30 174.11 1aou s ASP 49 N 0.05 -0.78 0.30 -2.12 2.15 -0.75 -0.89 116.67 114.64 1aou s ASP 49 Ca 0.04 1.28 0.08 0.00 0.43 0.00 0.00 52.55 54.39 1aou s ASP 49 Cb -0.12 1.29 -0.04 0.00 -0.30 0.00 0.00 42.92 43.75 1aou s ASP 49 CO 0.01 -0.22 0.13 0.86 -0.17 0.00 0.00 175.17 175.78 1aou s TRP 50 N 1.78 2.82 0.04 -5.34 -0.00 -1.26 0.05 118.94 117.03 1aou s TRP 50 Ca -0.09 -0.27 -0.06 0.00 -0.00 0.00 0.00 56.10 55.69 1aou s TRP 50 Cb -0.07 -1.48 -0.01 0.00 -0.00 0.00 0.00 33.47 31.90 1aou s TRP 50 CO -0.17 0.44 0.10 0.34 -0.00 0.00 0.00 176.95 177.66 1aou s ASP 51 N -3.82 0.17 -0.27 5.86 -1.08 -0.58 -4.92 116.67 112.03 1aou s ASP 51 Ca 0.35 -0.54 -0.01 0.00 -0.52 0.00 0.00 52.55 51.84 1aou s ASP 51 Cb -0.05 0.24 0.20 0.00 -1.46 0.00 0.00 42.92 41.84 1aou s ASP 51 CO 0.23 -0.52 1.94 -0.67 0.52 0.00 0.00 175.17 176.67 1aou n ASP 52 N 0.71 6.00 -0.08 -0.34 -0.08 -1.26 -2.59 116.55 118.90 1aou n ASP 52 Ca -0.19 -2.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.14 1aou n ASP 52 Cb 0.59 -1.02 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1aou n ASP 52 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1aou n MET 53 N 0.41 0.00 0.00 -0.67 2.81 -1.26 -4.94 117.12 113.47 1aou n MET 53 Ca 0.26 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1aou n MET 53 Cb 0.62 -0.39 0.00 0.00 -0.71 0.00 0.00 33.22 32.73 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 -5.16 118.16 114.64 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 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 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 -0.13 0.40 3.68 2.58 0.00 -1.07 -5.01 105.19 105.64 1aou n GLY 55 Ca 0.00 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 1aou n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1aou s ASP 56 N -4.00 2.22 0.24 1.61 1.47 -1.26 -1.53 116.67 115.42 1aou s ASP 56 Ca 0.00 0.93 -0.12 0.00 1.18 0.00 0.00 52.55 54.54 1aou s ASP 56 Cb 0.00 -1.42 0.05 0.00 -0.34 0.00 0.00 42.92 41.20 1aou s ASP 56 CO 0.00 -3.35 0.61 1.41 0.68 0.00 0.00 175.17 174.52 1aou n HIS 57 N -4.28 -1.74 -3.65 2.11 8.25 0.11 -4.81 115.22 111.20 1aou n HIS 57 Ca 0.08 -1.20 -0.03 0.00 -0.26 0.00 0.00 57.72 56.31 1aou n HIS 57 Cb 0.58 0.60 -0.05 0.00 1.12 0.00 0.00 29.99 32.24 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 -2.32 -0.71 0.00 1.59 1.01 -1.26 -1.81 120.40 116.90 1aou s VAL 58 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1aou s VAL 58 Cb -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1aou s VAL 58 CO 0.07 0.00 0.00 1.17 0.00 0.00 0.00 175.10 176.35 1aou n LYS 59 N 5.13 1.08 -3.55 2.72 3.00 0.11 -4.84 118.16 121.82 1aou n LYS 59 Ca -0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.02 1aou n LYS 59 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.49 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 0.74 -0.51 -0.36 5.64 3.76 -1.26 -1.64 115.29 121.65 1aou s HIS 60 Ca 0.00 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 1aou s HIS 60 Cb 0.00 0.37 0.12 0.00 1.11 0.00 0.00 32.58 34.18 1aou s HIS 60 CO 0.00 -0.63 0.18 0.71 -0.85 0.00 0.00 174.74 174.14 1aou s TYR 61 N -1.99 1.41 -0.26 1.40 2.02 0.06 -4.91 117.35 115.08 1aou s TYR 61 Ca -0.08 -1.85 -0.36 0.00 -0.37 0.00 0.00 57.07 54.42 1aou s TYR 61 Cb -0.01 -1.49 -0.12 0.00 -0.40 0.00 0.00 41.96 39.94 1aou s TYR 61 CO 0.02 -0.83 2.00 1.17 -1.57 0.00 0.00 175.55 176.34 1aou n LYS 62 N 4.25 1.43 -2.38 -0.62 0.00 -1.26 -0.30 118.16 119.29 1aou n LYS 62 Ca 0.05 0.47 -0.32 0.00 0.00 0.00 0.00 58.31 58.51 1aou n LYS 62 Cb 0.38 -2.45 -0.03 0.00 0.00 0.00 0.00 35.03 32.93 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 5.53 4.54 0.37 3.15 1.01 0.41 -4.71 121.20 131.51 1aou s ILE 63 Ca 1.02 1.21 0.04 0.00 0.00 0.00 0.00 60.65 62.91 1aou s ILE 63 Cb -0.85 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1aou s ILE 63 CO 0.54 -0.70 0.07 -0.13 0.00 0.00 0.00 174.94 174.71 1aou s ARG 64 N -4.11 1.80 -0.26 2.79 1.81 -0.28 -2.77 118.95 117.93 1aou s ARG 64 Ca 0.59 -2.05 -0.18 0.00 -1.72 0.00 0.00 55.73 52.37 1aou s ARG 64 Cb -0.10 -0.88 0.07 0.00 -0.45 0.00 0.00 34.95 33.59 1aou s ARG 64 CO 0.32 -0.29 0.67 0.21 -0.68 0.00 0.00 175.30 175.53 1aou s LYS 65 N -3.83 0.71 0.41 3.54 2.20 -1.26 -1.46 119.74 120.05 1aou s LYS 65 Ca 0.30 1.12 -0.23 0.00 -0.36 0.00 0.00 55.97 56.79 1aou s LYS 65 Cb 0.06 0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 36.49 1aou s LYS 65 CO 0.14 -0.14 1.03 -0.51 -0.36 0.00 0.00 175.35 175.51 1aou s LEU 66 N 1.26 4.10 0.49 5.43 1.02 -0.25 -4.81 118.68 125.91 1aou s LEU 66 Ca -0.07 1.96 0.31 0.00 0.02 0.00 0.00 54.13 56.35 1aou s LEU 66 Cb -0.05 -4.26 1.18 0.00 0.02 0.00 0.00 46.19 43.08 1aou s LEU 66 CO -0.14 -0.47 1.90 0.44 0.02 0.00 0.00 176.35 178.10 1aou h ASP 67 N 2.38 0.00 0.46 2.29 3.32 -2.01 -0.82 116.42 122.04 1aou h ASP 67 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1aou h ASP 67 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1aou h ASP 67 CO 0.62 0.00 -0.28 0.59 -1.72 0.00 0.00 179.24 178.45 1aou n ASN 68 N -2.95 0.56 0.00 6.45 3.02 -1.26 -4.94 115.26 116.14 1aou n ASN 68 Ca 0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1aou n ASN 68 Cb 0.32 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.41 0.76 2.63 7.41 0.00 -0.32 -5.11 105.19 111.97 1aou n GLY 69 Ca 0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1aou n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aou n GLY 70 N 0.00 0.41 3.65 -0.02 0.00 -1.12 -4.52 105.19 103.58 1aou n GLY 70 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1aou n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aou s TYR 71 N 0.55 2.54 -0.09 1.61 2.02 0.08 -1.09 117.35 122.97 1aou s TYR 71 Ca 0.31 0.77 -0.04 0.00 -0.37 0.00 0.00 57.07 57.74 1aou s TYR 71 Cb 0.03 -3.74 0.05 0.00 -0.40 0.00 0.00 41.96 37.90 1aou s TYR 71 CO -0.11 -2.27 0.19 1.52 -1.57 0.00 0.00 175.55 173.32 1aou s TYR 72 N 4.06 -0.25 -0.13 2.71 1.13 -0.53 0.58 117.35 124.91 1aou s TYR 72 Ca 0.61 0.67 0.16 0.00 -1.41 0.00 0.00 57.07 57.10 1aou s TYR 72 Cb -0.23 -0.08 0.19 0.00 -1.10 0.00 0.00 41.96 40.74 1aou s TYR 72 CO 0.21 -0.24 1.50 0.82 -2.51 0.00 0.00 175.55 175.34 1aou h ILE 73 N 6.11 0.78 -4.06 -3.49 2.04 -1.82 -0.74 117.51 116.33 1aou h ILE 73 Ca -0.32 -2.01 -0.43 0.00 1.00 0.00 0.00 64.86 63.10 1aou h ILE 73 Cb 1.14 2.31 -0.29 0.00 -0.74 0.00 0.00 36.82 39.24 1aou h ILE 73 CO 0.31 0.43 -0.79 0.28 0.00 0.00 0.00 178.15 178.38 1aou s THR 74 N -3.07 0.87 -1.18 -0.27 -1.32 -1.26 -4.66 115.64 104.74 1aou s THR 74 Ca 0.04 -0.46 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1aou s THR 74 Cb 0.08 -0.73 0.03 0.00 -1.51 0.00 0.00 72.50 70.37 1aou s THR 74 CO 0.73 0.25 0.99 0.35 -2.21 0.00 0.00 174.62 174.73 1aou n THR 75 N 2.88 1.52 0.30 5.08 -2.24 -1.26 -1.68 114.28 118.86 1aou n THR 75 Ca -0.14 0.38 0.18 0.00 -2.27 0.00 0.00 64.05 62.20 1aou n THR 75 Cb 0.56 -1.34 0.79 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.81 -0.78 9.65 -1.94 -3.43 114.38 116.07 1aou h ARG 76 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1aou h ARG 76 Cb 0.03 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 28.38 1aou h ARG 76 CO 0.00 0.00 0.20 0.00 2.80 0.00 0.00 179.97 182.97 1aou s ALA 77 N -3.75 -2.00 0.44 2.80 0.00 -0.68 -5.17 121.76 113.40 1aou s ALA 77 Ca -0.00 2.24 0.04 0.00 0.00 0.00 0.00 51.96 54.23 1aou s ALA 77 Cb 0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1aou s ALA 77 CO 0.50 -0.35 0.03 1.14 0.00 0.00 0.00 175.76 177.09 1aou s GLN 78 N 1.20 2.01 0.00 0.00 0.00 -1.26 -4.26 119.66 117.34 1aou s GLN 78 Ca -0.07 -2.21 0.00 0.00 -0.00 0.00 0.00 55.36 53.08 1aou s GLN 78 Cb -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 33.01 31.62 1aou s GLN 78 CO -0.14 -0.26 0.00 1.19 0.00 0.00 0.00 175.29 176.09 1aou n PHE 79 N -1.04 -0.08 -0.06 9.60 3.01 0.20 -4.75 117.46 124.33 1aou n PHE 79 Ca -0.10 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.19 1aou n PHE 79 Cb 0.67 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.00 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 0.69 -3.93 -1.08 0.28 -1.26 -0.74 120.64 114.61 1aou n GLU 80 Ca 0.00 0.18 -0.16 0.00 -0.16 0.00 0.00 57.16 57.02 1aou n GLU 80 Cb 0.00 -1.62 -0.05 0.00 1.43 0.00 0.00 31.44 31.19 1aou n GLU 80 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1aou n THR 81 N -3.22 0.00 0.09 3.84 5.66 -1.26 -4.58 114.28 114.82 1aou n THR 81 Ca -0.35 -1.98 -0.14 0.00 -3.05 0.00 0.00 64.05 58.53 1aou n THR 81 Cb 1.05 1.06 -0.09 0.00 -1.55 0.00 0.00 70.33 70.80 1aou n THR 81 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1aou h LEU 82 N 0.00 0.44 -0.12 1.09 3.38 -1.96 -2.67 115.31 115.47 1aou h LEU 82 Ca -0.23 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.22 1aou h LEU 82 Cb 1.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1aou h LEU 82 CO 0.32 1.27 -0.35 -0.61 0.09 0.00 0.00 178.44 179.16 1aou h GLN 83 N 0.13 0.45 -0.30 1.13 4.15 -1.96 -1.52 115.11 117.20 1aou h GLN 83 Ca -0.11 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 1aou h GLN 83 Cb 1.79 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.52 1aou h GLN 83 CO 0.18 0.95 0.15 1.96 -1.93 0.00 0.00 178.83 180.14 1aou h GLN 84 N 0.03 0.40 -0.08 1.69 1.08 -1.96 -1.75 115.11 114.53 1aou h GLN 84 Ca -0.01 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 56.98 1aou h GLN 84 Cb 0.98 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1aou h GLN 84 CO 0.08 0.30 -0.64 1.37 -0.95 0.00 0.00 178.83 178.98 1aou h LEU 85 N 0.41 0.71 -1.96 1.46 8.10 -1.37 -2.06 115.31 120.59 1aou h LEU 85 Ca 0.11 -0.67 0.07 0.00 0.11 0.00 0.00 57.88 57.49 1aou h LEU 85 Cb 0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.02 1aou h LEU 85 CO -0.02 1.27 0.40 -0.37 -4.11 0.00 0.00 178.44 175.62 1aou h VAL 86 N 0.20 0.21 -0.06 0.15 -1.51 -0.43 0.33 116.25 115.14 1aou h VAL 86 Ca -0.06 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.33 1aou h VAL 86 Cb 1.30 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1aou h VAL 86 CO 0.13 0.00 -0.29 -0.61 -1.23 0.00 0.00 177.57 175.57 1aou h GLN 87 N 0.00 0.31 0.01 5.19 5.75 -0.73 0.38 115.11 126.02 1aou h GLN 87 Ca 0.11 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1aou h GLN 87 Cb 0.92 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1aou h GLN 87 CO -0.00 0.89 -0.00 1.25 -2.65 0.00 0.00 178.83 178.32 1aou h HIS 88 N -0.20 -0.01 0.00 3.99 2.76 -0.23 -2.82 115.15 118.64 1aou h HIS 88 Ca -0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1aou h HIS 88 Cb 0.94 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.91 1aou h HIS 88 CO 0.13 0.65 0.00 0.66 -1.30 0.00 0.00 177.93 178.08 1aou n TYR 89 N -4.77 0.47 0.31 5.26 4.02 0.79 -2.10 117.16 121.14 1aou n TYR 89 Ca -0.09 0.19 0.18 0.00 -0.01 0.00 0.00 57.90 58.17 1aou n TYR 89 Cb 0.33 -0.81 1.02 0.00 -0.02 0.00 0.00 39.34 39.86 1aou n TYR 89 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1aou h SER 90 N 0.00 0.00 0.00 7.72 0.87 0.04 -2.96 113.55 119.23 1aou h SER 90 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1aou h SER 90 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1aou h SER 90 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1aou n GLU 91 N -3.56 3.22 -4.49 2.24 1.02 -0.99 -4.98 120.64 113.10 1aou n GLU 91 Ca -0.03 -0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.88 1aou n GLU 91 Cb 0.09 -0.30 -0.15 0.00 -0.02 0.00 0.00 31.44 31.06 1aou n GLU 91 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1aou s ARG 92 N -0.47 1.02 0.11 3.49 0.52 -0.89 -5.02 118.95 117.71 1aou s ARG 92 Ca 0.00 -0.38 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 1aou s ARG 92 Cb 0.00 -0.96 -0.07 0.00 0.52 0.00 0.00 34.95 34.44 1aou s ARG 92 CO 0.00 0.19 1.70 0.00 0.02 0.00 0.00 175.30 177.21 1aou h ALA 93 N 6.12 0.27 0.00 2.13 0.00 -1.89 -3.36 119.26 122.53 1aou h ALA 93 Ca -0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1aou h ALA 93 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1aou h ALA 93 CO 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1aou n ALA 94 N -2.20 0.00 0.00 0.00 0.00 -1.26 -4.07 120.51 112.97 1aou n ALA 94 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1aou n ALA 94 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 1.19 3.87 0.00 0.00 -1.26 -4.92 105.19 102.08 1aou n GLY 95 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1aou n GLY 95 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1aou s LEU 96 N 0.00 2.83 0.21 0.99 2.34 -1.26 -4.96 118.68 118.84 1aou s LEU 96 Ca 0.00 1.13 0.25 0.00 0.06 0.00 0.00 54.13 55.57 1aou s LEU 96 Cb 0.00 -3.88 0.49 0.00 -0.56 0.00 0.00 46.19 42.24 1aou s LEU 96 CO 0.00 -1.47 1.52 0.77 -1.06 0.00 0.00 176.35 176.11 1aou h SER 97 N -0.74 0.00 -3.41 1.48 4.64 -2.00 -3.41 113.55 110.10 1aou h SER 97 Ca -0.45 -0.08 -0.61 0.00 -0.47 0.00 0.00 61.79 60.19 1aou h SER 97 Cb 1.26 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.95 1aou h SER 97 CO 0.63 0.04 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.45 1aou s SER 98 N -4.77 3.86 0.00 4.97 0.01 -1.26 -5.10 113.70 111.41 1aou s SER 98 Ca 0.07 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1aou s SER 98 Cb 0.11 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.32 1aou s SER 98 CO 0.67 -0.32 0.00 -1.14 0.41 0.00 0.00 173.24 172.86 1aou n ARG 99 N 4.01 2.11 -3.55 12.44 3.00 -1.26 -4.92 116.66 128.49 1aou n ARG 99 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.67 1aou n ARG 99 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.84 1aou n ARG 99 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1aou s LEU 100 N 0.00 2.99 -0.17 6.15 0.05 -1.26 -4.68 118.68 121.76 1aou s LEU 100 Ca 0.00 -1.00 -0.40 0.00 0.05 0.00 0.00 54.13 52.78 1aou s LEU 100 Cb 0.00 -1.54 -0.17 0.00 -2.05 0.00 0.00 46.19 42.43 1aou s LEU 100 CO 0.00 -1.06 1.53 1.33 -0.55 0.00 0.00 176.35 177.60 1aou n VAL 101 N -1.86 0.14 -0.02 1.48 0.24 -1.01 -4.60 118.33 112.69 1aou n VAL 101 Ca 0.05 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.34 62.16 1aou n VAL 101 Cb 0.63 -0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 32.00 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 4.39 1.68 0.03 3.34 2.07 -1.92 -3.39 116.25 122.44 1aou h VAL 102 Ca -0.47 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 64.68 1aou h VAL 102 Cb 1.34 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 34.38 1aou h VAL 102 CO 0.88 0.64 -0.01 1.55 0.02 0.00 0.00 177.57 180.64 1aou h PRO 103 N -0.73 -0.04 -5.41 1.57 0.13 -1.88 -3.49 132.00 122.15 1aou h PRO 103 Ca -0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.79 1aou h PRO 103 Cb 1.22 0.01 0.17 0.00 0.13 0.00 0.00 31.00 32.52 1aou h PRO 103 CO 0.06 0.19 -0.75 0.43 -0.23 0.00 0.00 178.00 177.70 1aou n SER 104 N -4.77 -3.05 -0.25 1.44 7.64 -1.26 -4.88 113.62 108.48 1aou n SER 104 Ca -0.03 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1aou n SER 104 Cb 0.12 -4.88 0.13 0.00 -1.01 0.00 0.00 64.21 58.57 1aou n SER 104 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1aou h HIS 105 N -1.61 0.72 0.00 1.43 2.07 -1.94 -3.50 115.15 112.32 1aou h HIS 105 Ca -0.56 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 56.99 1aou h HIS 105 Cb 1.31 -0.22 0.00 0.00 2.57 0.00 0.00 27.41 31.08 1aou h HIS 105 CO 0.38 0.31 0.00 1.17 -3.07 0.00 0.00 177.93 176.72