#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 -1.58 2.46 -5.35 -1.26 -4.93 119.36 108.70 1aou n ILE 2 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 1aou n ILE 2 Cb 0.00 -1.48 -0.04 0.00 -1.74 0.00 0.00 39.64 36.38 1aou n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1aou n GLN 3 N -0.82 3.76 -1.54 6.28 1.13 -1.26 -4.92 117.38 120.00 1aou n GLN 3 Ca 0.00 -2.62 -0.31 0.00 -1.94 0.00 0.00 57.00 52.14 1aou n GLN 3 Cb 0.00 -2.57 -0.06 0.00 0.11 0.00 0.00 30.24 27.71 1aou n GLN 3 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aou n ALA 4 N 2.39 0.63 0.00 -1.58 0.00 -1.26 -2.80 120.51 117.90 1aou n ALA 4 Ca 0.65 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1aou n ALA 4 Cb 0.35 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.72 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 8.73 0.00 0.03 0.00 0.28 0.74 -4.92 120.64 125.50 1aou n GLU 5 Ca 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1aou n GLU 5 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 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 -0.10 3.44 1.02 -1.12 -4.88 120.64 119.00 1aou n GLU 6 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1aou n GLU 6 Cb 0.00 -0.14 0.12 0.00 -0.02 0.00 0.00 31.44 31.40 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 -2.86 0.26 -3.72 -0.32 4.27 -1.26 -3.98 117.44 109.83 1aou n TRP 7 Ca 0.00 -0.21 -0.12 0.00 -3.89 0.00 0.00 57.50 53.28 1aou n TRP 7 Cb 0.00 -0.01 -0.11 0.00 -1.36 0.00 0.00 31.31 29.83 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 -1.13 -0.49 -0.10 -2.67 5.04 -1.26 0.30 117.35 117.03 1aou s TYR 8 Ca 0.23 1.11 0.05 0.00 -2.44 0.00 0.00 57.07 56.02 1aou s TYR 8 Cb 0.14 0.19 -0.09 0.00 0.35 0.00 0.00 41.96 42.54 1aou s TYR 8 CO 0.19 -0.27 -0.02 1.19 -1.34 0.00 0.00 175.55 175.30 1aou n PHE 9 N 3.73 0.00 0.00 4.97 3.01 -0.59 -0.19 117.46 128.39 1aou n PHE 9 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1aou n PHE 9 Cb 0.56 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 2.67 0.38 2.76 1.37 0.00 -1.25 -4.84 105.19 106.28 1aou n GLY 10 Ca -0.17 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 2.88 -2.65 1.61 5.02 -1.26 -1.36 118.16 122.39 1aou n LYS 11 Ca 0.00 -4.59 -0.10 0.00 -2.02 0.00 0.00 58.31 51.60 1aou n LYS 11 Cb 0.00 -2.35 -0.01 0.00 -0.02 0.00 0.00 35.03 32.65 1aou n LYS 11 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1aou n LEU 12 N 1.41 0.00 -4.89 -0.35 -0.00 -1.26 -4.82 117.00 107.09 1aou n LEU 12 Ca 0.26 -1.06 -0.32 0.00 -0.00 0.00 0.00 56.01 54.90 1aou n LEU 12 Cb 0.38 0.06 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 1aou n LEU 12 CO 0.45 -0.25 0.08 -0.83 -0.00 0.00 0.00 177.39 176.84 1aou s GLY 13 N -2.19 2.25 0.64 1.47 0.00 -1.26 -4.34 107.32 103.89 1aou s GLY 13 Ca 0.05 -0.47 0.39 0.00 0.00 0.00 0.00 44.72 44.68 1aou s GLY 13 CO 0.03 -0.37 2.31 0.07 0.00 0.00 0.00 173.10 175.14 1aou h ARG 14 N 2.80 0.00 0.00 2.90 -0.00 -1.96 0.20 114.38 118.32 1aou h ARG 14 Ca -0.46 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.34 1aou h ARG 14 Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.12 1aou h ARG 14 CO 0.71 0.00 -0.82 0.87 -0.00 0.00 0.00 179.97 180.73 1aou h LYS 15 N 0.00 0.07 0.00 0.08 1.57 -2.00 -2.58 116.57 113.71 1aou h LYS 15 Ca 0.00 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1aou h LYS 15 Cb 0.04 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1aou h LYS 15 CO -0.00 0.85 -0.50 0.22 -0.57 0.00 0.00 179.45 179.45 1aou h ASP 16 N 0.04 0.00 0.31 0.86 3.58 -1.00 -2.79 116.42 117.42 1aou h ASP 16 Ca -0.02 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.23 1aou h ASP 16 Cb 1.44 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.48 1aou h ASP 16 CO 0.11 0.50 -0.82 0.00 -2.88 0.00 0.00 179.24 176.15 1aou h ALA 17 N 1.50 0.50 -0.37 -0.78 0.00 -1.21 0.62 119.26 119.52 1aou h ALA 17 Ca -0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1aou h ALA 17 Cb 1.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1aou h ALA 17 CO 0.07 0.80 0.03 0.93 0.00 0.00 0.00 179.25 181.07 1aou h GLU 18 N 0.25 0.63 0.00 0.00 5.08 -1.29 0.13 114.58 119.38 1aou h GLU 18 Ca -0.05 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 1aou h GLU 18 Cb 1.42 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1aou h GLU 18 CO 0.14 0.72 -0.50 0.00 -1.00 0.00 0.00 179.01 178.37 1aou h ARG 19 N 0.46 0.00 0.00 2.33 -0.00 -1.49 -2.00 114.38 113.68 1aou h ARG 19 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 1aou h ARG 19 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.39 1aou h ARG 19 CO 0.01 0.50 -0.09 1.96 0.00 0.00 0.00 179.97 182.36 1aou h GLN 20 N 0.00 0.00 0.00 0.04 1.08 -0.58 -2.42 115.11 113.23 1aou h GLN 20 Ca -0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1aou h GLN 20 Cb 1.21 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.61 1aou h GLN 20 CO 0.06 0.00 -1.28 1.28 -0.95 0.00 0.00 178.83 177.94 1aou n LEU 21 N -2.97 1.86 -0.00 1.46 4.32 0.42 -4.20 117.00 117.88 1aou n LEU 21 Ca 0.04 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1aou n LEU 21 Cb 0.52 -0.95 0.31 0.00 -1.62 0.00 0.00 43.42 41.68 1aou n LEU 21 CO 0.34 0.24 0.95 -0.07 -1.22 0.00 0.00 177.39 177.63 1aou h LEU 22 N -1.00 0.49 -9.20 2.23 3.38 -1.49 -3.41 115.31 106.31 1aou h LEU 22 Ca -0.35 -0.09 -0.61 0.00 0.09 0.00 0.00 57.88 56.93 1aou h LEU 22 Cb 1.26 -0.13 0.16 0.00 0.09 0.00 0.00 40.66 42.05 1aou h LEU 22 CO -0.21 0.55 -0.69 -0.24 0.09 0.00 0.00 178.44 177.93 1aou n SER 23 N -4.29 -1.98 -4.72 -0.43 2.88 -0.91 -4.59 113.62 99.58 1aou n SER 23 Ca 0.02 0.81 -0.63 0.00 -1.33 0.00 0.00 58.87 57.74 1aou n SER 23 Cb 0.23 -1.01 -0.09 0.00 -0.75 0.00 0.00 64.21 62.59 1aou n SER 23 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1aou n PHE 24 N -1.15 1.88 0.00 0.66 -0.00 -1.26 -4.39 117.46 113.19 1aou n PHE 24 Ca 0.11 0.86 0.00 0.00 -0.00 0.00 0.00 57.45 58.41 1aou n PHE 24 Cb 0.42 -2.34 0.00 0.00 -0.00 0.00 0.00 39.48 37.56 1aou n PHE 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1aou n GLY 25 N 4.22 -2.46 3.10 7.13 0.00 -1.26 -5.10 105.19 110.82 1aou n GLY 25 Ca 0.30 0.84 -0.15 0.00 0.00 0.00 0.00 46.02 47.01 1aou n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aou s ASN 26 N -4.00 1.15 0.42 1.61 0.02 -1.26 -5.11 114.94 107.76 1aou s ASN 26 Ca 0.00 -0.60 0.00 0.00 -1.02 0.00 0.00 52.86 51.24 1aou s ASN 26 Cb 0.00 0.01 0.00 0.00 0.02 0.00 0.00 41.25 41.28 1aou s ASN 26 CO 0.00 -0.17 0.00 -0.81 0.02 0.00 0.00 177.10 176.14 1aou n PRO 27 N 1.32 0.50 -0.88 -0.60 -0.04 -1.26 -4.84 135.00 129.19 1aou n PRO 27 Ca -0.22 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.88 1aou n PRO 27 Cb 0.55 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.09 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 -0.46 -0.54 -1.01 0.54 1.85 -1.26 -3.22 116.66 112.56 1aou n ARG 28 Ca 0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1aou n ARG 28 Cb 0.00 -1.27 -0.00 0.00 -1.05 0.00 0.00 32.46 30.13 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 2.91 0.47 3.02 2.89 0.00 -1.15 -4.95 105.19 108.38 1aou n GLY 29 Ca -0.01 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1aou n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aou n THR 30 N -2.97 5.26 -0.56 2.61 -1.04 -1.20 -1.73 114.28 114.64 1aou n THR 30 Ca -0.00 -5.90 -0.28 0.00 -2.04 0.00 0.00 64.05 55.83 1aou n THR 30 Cb 0.02 -2.11 0.26 0.00 -1.82 0.00 0.00 70.33 66.68 1aou n THR 30 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1aou n PHE 31 N 1.39 -3.75 -3.62 -1.42 3.01 -1.26 -2.43 117.46 109.38 1aou n PHE 31 Ca 0.26 -0.83 -0.03 0.00 1.01 0.00 0.00 57.45 57.85 1aou n PHE 31 Cb 0.34 -1.12 -0.02 0.00 -0.01 0.00 0.00 39.48 38.67 1aou n PHE 31 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1aou s LEU 32 N 0.00 -0.08 0.32 4.37 0.20 0.15 -4.43 118.68 119.20 1aou s LEU 32 Ca 0.64 0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.51 1aou s LEU 32 Cb -0.09 1.23 -0.06 0.00 -0.43 0.00 0.00 46.19 46.84 1aou s LEU 32 CO 0.51 -0.14 0.05 -0.63 -0.29 0.00 0.00 176.35 175.86 1aou s ILE 33 N -2.17 1.23 0.00 6.68 1.01 0.86 0.24 121.20 129.05 1aou s ILE 33 Ca 0.10 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.74 1aou s ILE 33 Cb -0.01 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1aou s ILE 33 CO -0.04 -0.02 0.00 -2.11 0.00 0.00 0.00 174.94 172.77 1aou n ARG 34 N -0.68 0.00 -1.82 2.79 1.85 -0.86 -1.55 116.66 116.39 1aou n ARG 34 Ca -0.03 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.40 1aou n ARG 34 Cb 0.66 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.04 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 4.17 -0.10 2.89 2.02 -0.46 0.34 118.70 125.55 1aou s GLU 35 Ca 0.00 2.48 -0.28 0.00 0.02 0.00 0.00 54.97 57.19 1aou s GLU 35 Cb 0.00 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 1aou s GLU 35 CO 0.00 -0.71 0.95 -1.12 0.02 0.00 0.00 175.26 174.39 1aou s SER 36 N 1.57 7.18 -0.03 -0.19 0.01 -0.11 -4.43 113.70 117.70 1aou s SER 36 Ca 0.74 1.45 0.08 0.00 1.31 0.00 0.00 55.95 59.53 1aou s SER 36 Cb -0.46 -2.53 0.29 0.00 0.21 0.00 0.00 66.02 63.53 1aou s SER 36 CO 0.32 -0.39 1.15 -0.62 0.41 0.00 0.00 173.24 174.11 1aou n GLU 37 N 4.85 2.01 0.03 12.44 1.02 -1.26 -2.97 120.64 136.76 1aou n GLU 37 Ca 0.07 -1.15 -0.19 0.00 -0.02 0.00 0.00 57.16 55.87 1aou n GLU 37 Cb 0.49 -1.43 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 1aou n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aou h THR 38 N 1.71 1.40 -4.41 2.62 1.03 -1.96 -3.47 112.91 109.83 1aou h THR 38 Ca 0.00 -2.25 -0.12 0.00 -0.01 0.00 0.00 66.41 64.03 1aou h THR 38 Cb 0.65 2.71 -0.01 0.00 -1.07 0.00 0.00 68.15 70.42 1aou h THR 38 CO 0.07 0.66 -0.05 1.07 -0.01 0.00 0.00 175.52 177.26 1aou n THR 39 N -4.09 0.00 -0.34 0.00 5.66 -1.25 -4.95 114.28 109.31 1aou n THR 39 Ca -0.12 -0.45 0.29 0.00 -3.05 0.00 0.00 64.05 60.72 1aou n THR 39 Cb 0.78 -0.48 0.54 0.00 -1.55 0.00 0.00 70.33 69.62 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 0.17 0.00 1.09 1.79 -1.90 -3.39 116.57 114.33 1aou h LYS 40 Ca -0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1aou h LYS 40 Cb 0.27 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1aou h LYS 40 CO 0.11 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 179.00 1aou n GLY 41 N -1.31 -1.76 0.00 3.86 0.00 -1.26 -5.01 105.19 99.71 1aou n GLY 41 Ca 0.35 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 -4.19 4.61 0.00 -1.16 -4.80 120.51 114.97 1aou n ALA 42 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1aou n ALA 42 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 0.31 -3.71 0.00 4.19 -0.65 -0.93 117.16 116.37 1aou n TYR 43 Ca 0.00 -0.67 -0.09 0.00 3.31 0.00 0.00 57.90 60.45 1aou n TYR 43 Cb 0.00 -0.09 -0.02 0.00 0.49 0.00 0.00 39.34 39.72 1aou n TYR 43 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1aou s SER 44 N -1.75 -0.36 -0.40 2.98 0.15 0.15 -0.95 113.70 113.52 1aou s SER 44 Ca 0.00 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.29 1aou s SER 44 Cb 0.00 0.68 0.16 0.00 -1.71 0.00 0.00 66.02 65.15 1aou s SER 44 CO 0.00 -1.21 0.33 -0.22 1.20 0.00 0.00 173.24 173.34 1aou s LEU 45 N -2.86 1.14 0.87 3.45 2.96 -0.06 -2.02 118.68 122.16 1aou s LEU 45 Ca 0.08 -2.79 -0.12 0.00 -0.22 0.00 0.00 54.13 51.08 1aou s LEU 45 Cb -0.04 -0.29 0.09 0.00 0.50 0.00 0.00 46.19 46.44 1aou s LEU 45 CO 0.00 -0.20 0.95 -1.20 -1.32 0.00 0.00 176.35 174.58 1aou n SER 46 N 3.13 -0.11 -3.45 3.68 7.64 0.65 -1.36 113.62 123.81 1aou n SER 46 Ca 0.25 0.47 -0.22 0.00 1.01 0.00 0.00 58.87 60.38 1aou n SER 46 Cb 0.46 -1.41 -0.11 0.00 -1.01 0.00 0.00 64.21 62.14 1aou n SER 46 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1aou s ILE 47 N -2.35 -0.22 0.30 0.44 2.07 -0.44 -0.68 121.20 120.33 1aou s ILE 47 Ca 0.67 -0.79 -0.30 0.00 -1.41 0.00 0.00 60.65 58.82 1aou s ILE 47 Cb -0.26 -0.96 -0.12 0.00 0.13 0.00 0.00 42.46 41.26 1aou s ILE 47 CO 0.58 -0.63 1.53 -1.14 -1.91 0.00 0.00 174.94 173.37 1aou n ARG 48 N 5.00 2.56 -3.18 3.50 0.00 -1.02 -1.65 116.66 121.87 1aou n ARG 48 Ca 0.00 0.91 0.03 0.00 -0.00 0.00 0.00 57.85 58.79 1aou n ARG 48 Cb 0.44 -2.65 -0.01 0.00 0.00 0.00 0.00 32.46 30.23 1aou n ARG 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1aou s ASP 49 N 0.32 -1.33 0.48 6.15 2.15 -0.82 -2.94 116.67 120.67 1aou s ASP 49 Ca 0.63 0.90 -0.05 0.00 0.43 0.00 0.00 52.55 54.46 1aou s ASP 49 Cb -0.52 2.15 -0.03 0.00 -0.30 0.00 0.00 42.92 44.22 1aou s ASP 49 CO 0.52 -0.26 0.77 0.86 -0.17 0.00 0.00 175.17 176.89 1aou s TRP 50 N 2.85 3.51 0.04 -5.34 -0.00 -1.26 -2.52 118.94 116.22 1aou s TRP 50 Ca 0.19 0.73 -0.05 0.00 -0.00 0.00 0.00 56.10 56.97 1aou s TRP 50 Cb -0.15 -2.31 -0.01 0.00 -0.00 0.00 0.00 33.47 30.99 1aou s TRP 50 CO -0.21 -0.31 0.09 0.34 -0.00 0.00 0.00 176.95 176.87 1aou s ASP 51 N -4.13 0.20 -0.23 5.86 -1.08 -0.53 -4.91 116.67 111.85 1aou s ASP 51 Ca 0.47 -0.58 -0.01 0.00 -0.52 0.00 0.00 52.55 51.91 1aou s ASP 51 Cb -0.10 0.23 0.12 0.00 -1.46 0.00 0.00 42.92 41.71 1aou s ASP 51 CO 0.44 -0.53 2.16 -0.67 0.52 0.00 0.00 175.17 177.09 1aou n ASP 52 N 0.67 6.12 -0.15 -0.34 -0.08 -1.26 -2.39 116.55 119.12 1aou n ASP 52 Ca -0.18 -2.88 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 1aou n ASP 52 Cb 0.59 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.94 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 0.80 0.00 0.00 -0.67 2.81 -1.26 -4.94 117.12 113.86 1aou n MET 53 Ca 0.24 -0.47 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1aou n MET 53 Cb 0.57 -0.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.72 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 -5.16 118.16 114.66 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 -0.05 0.21 3.60 2.58 0.00 -1.01 -5.00 105.19 105.52 1aou n GLY 55 Ca 0.00 -2.26 -0.28 0.00 0.00 0.00 0.00 46.02 43.48 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 1.88 0.08 1.61 1.01 -1.26 -1.46 116.67 114.52 1aou s ASP 56 Ca 0.00 1.26 -0.06 0.00 0.71 0.00 0.00 52.55 54.46 1aou s ASP 56 Cb 0.00 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 41.97 1aou s ASP 56 CO 0.00 -3.61 0.31 1.41 0.21 0.00 0.00 175.17 173.49 1aou n HIS 57 N -4.50 -0.99 -3.59 4.23 8.25 -1.05 -4.80 115.22 112.77 1aou n HIS 57 Ca 0.04 -0.46 -0.02 0.00 -0.26 0.00 0.00 57.72 57.02 1aou n HIS 57 Cb 0.56 0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.85 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 -2.49 -0.91 0.00 1.59 1.01 -1.26 -1.94 120.40 116.39 1aou s VAL 58 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1aou s VAL 58 Cb -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1aou s VAL 58 CO 0.02 0.01 0.00 1.17 0.00 0.00 0.00 175.10 176.31 1aou n LYS 59 N 5.43 1.01 -3.48 2.72 4.81 -0.66 -4.84 118.16 123.15 1aou n LYS 59 Ca -0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.20 1aou n LYS 59 Cb 0.49 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.50 1aou n LYS 59 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1aou s HIS 60 N 0.64 -0.56 -0.41 5.64 3.76 -1.26 -1.33 115.29 121.76 1aou s HIS 60 Ca 0.00 0.63 0.02 0.00 -0.15 0.00 0.00 55.06 55.56 1aou s HIS 60 Cb 0.00 0.47 0.13 0.00 1.11 0.00 0.00 32.58 34.29 1aou s HIS 60 CO 0.00 -0.73 0.21 0.71 -0.85 0.00 0.00 174.74 174.08 1aou s TYR 61 N -2.64 1.99 -0.24 1.40 2.02 -0.47 -4.90 117.35 114.51 1aou s TYR 61 Ca -0.04 -2.33 -0.35 0.00 -0.37 0.00 0.00 57.07 53.98 1aou s TYR 61 Cb -0.01 -1.89 -0.12 0.00 -0.40 0.00 0.00 41.96 39.54 1aou s TYR 61 CO -0.03 -0.80 2.01 1.17 -1.57 0.00 0.00 175.55 176.32 1aou n LYS 62 N 3.79 1.51 -3.18 -0.62 0.00 -1.26 -0.89 118.16 117.52 1aou n LYS 62 Ca 0.07 0.50 -0.39 0.00 0.00 0.00 0.00 58.31 58.49 1aou n LYS 62 Cb 0.36 -2.51 -0.06 0.00 0.00 0.00 0.00 35.03 32.82 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 5.60 4.69 0.50 3.15 1.09 -0.13 -4.65 121.20 131.46 1aou s ILE 63 Ca 1.01 1.36 0.01 0.00 -1.10 0.00 0.00 60.65 61.93 1aou s ILE 63 Cb -0.81 -3.97 -0.01 0.00 -1.06 0.00 0.00 42.46 36.61 1aou s ILE 63 CO 0.52 0.51 0.01 -0.60 -0.10 0.00 0.00 174.94 175.29 1aou s ARG 64 N -0.87 2.18 -0.06 2.79 6.06 -1.08 -1.64 118.95 126.33 1aou s ARG 64 Ca 0.31 -2.39 -0.01 0.00 -2.50 0.00 0.00 55.73 51.14 1aou s ARG 64 Cb -0.20 -1.45 0.03 0.00 0.06 0.00 0.00 34.95 33.38 1aou s ARG 64 CO 0.20 -0.37 0.01 0.21 -2.50 0.00 0.00 175.30 172.85 1aou s LYS 65 N -3.86 0.50 -0.03 5.12 2.20 -1.26 -2.08 119.74 120.33 1aou s LYS 65 Ca 0.07 0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.64 1aou s LYS 65 Cb 0.02 -0.86 -0.05 0.00 -1.51 0.00 0.00 37.83 35.43 1aou s LYS 65 CO 0.04 -0.28 0.47 -0.51 -0.36 0.00 0.00 175.35 174.71 1aou s LEU 66 N 1.85 4.42 0.14 5.43 1.02 -0.60 -4.92 118.68 126.03 1aou s LEU 66 Ca 0.03 0.98 0.20 0.00 0.02 0.00 0.00 54.13 55.36 1aou s LEU 66 Cb -0.12 -2.69 0.84 0.00 0.02 0.00 0.00 46.19 44.23 1aou s LEU 66 CO -0.04 0.20 1.63 0.47 0.02 0.00 0.00 176.35 178.62 1aou n ASP 67 N 2.45 0.39 -0.06 2.29 8.00 -1.26 -1.36 116.55 127.00 1aou n ASP 67 Ca -0.11 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.12 1aou n ASP 67 Cb 0.52 -0.67 0.49 0.00 -0.02 0.00 0.00 41.12 41.44 1aou n ASP 67 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1aou n ASN 68 N -1.92 0.40 0.00 -2.24 3.02 -1.26 -4.86 115.26 108.41 1aou n ASN 68 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1aou n ASN 68 Cb 0.22 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.40 -0.59 0.00 7.41 0.00 -0.46 -5.15 105.19 107.80 1aou n GLY 69 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.15 3.37 -0.02 0.00 -0.90 -4.75 105.19 101.74 1aou n GLY 70 Ca 0.00 0.68 -0.31 0.00 0.00 0.00 0.00 46.02 46.39 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 1.14 2.42 -0.19 1.61 2.02 -0.47 -1.55 117.35 122.34 1aou s TYR 71 Ca 0.00 -0.36 -0.09 0.00 -0.37 0.00 0.00 57.07 56.25 1aou s TYR 71 Cb 0.00 -1.48 0.07 0.00 -0.40 0.00 0.00 41.96 40.15 1aou s TYR 71 CO 0.00 0.10 0.43 1.52 -1.57 0.00 0.00 175.55 176.03 1aou s TYR 72 N -0.75 -0.70 0.11 2.71 1.13 -0.88 0.67 117.35 119.63 1aou s TYR 72 Ca 0.12 1.43 0.09 0.00 -1.41 0.00 0.00 57.07 57.29 1aou s TYR 72 Cb -0.10 0.31 -0.10 0.00 -1.10 0.00 0.00 41.96 40.97 1aou s TYR 72 CO 0.01 -0.40 1.34 0.82 -2.51 0.00 0.00 175.55 174.81 1aou h ILE 73 N 5.72 1.57 -4.02 -3.49 2.04 -1.82 -2.86 117.51 114.64 1aou h ILE 73 Ca -0.29 -3.11 -0.39 0.00 1.00 0.00 0.00 64.86 62.07 1aou h ILE 73 Cb 1.16 2.71 -0.28 0.00 -0.74 0.00 0.00 36.82 39.66 1aou h ILE 73 CO 0.23 0.87 -0.78 0.28 0.00 0.00 0.00 178.15 178.75 1aou s THR 74 N -2.85 0.69 -0.95 -0.27 -1.32 -1.26 -4.87 115.64 104.81 1aou s THR 74 Ca 0.01 -0.41 0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1aou s THR 74 Cb 0.10 -0.59 0.04 0.00 -1.51 0.00 0.00 72.50 70.54 1aou s THR 74 CO 0.80 0.17 1.14 0.35 -2.21 0.00 0.00 174.62 174.87 1aou n THR 75 N 2.80 1.74 0.30 5.08 -2.24 -1.26 -1.82 114.28 118.88 1aou n THR 75 Ca -0.14 0.46 0.18 0.00 -2.27 0.00 0.00 64.05 62.29 1aou n THR 75 Cb 0.57 -1.41 0.97 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.97 -0.78 9.65 -1.97 -3.42 114.38 116.88 1aou h ARG 76 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 1aou h ARG 76 Cb 0.05 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 28.39 1aou h ARG 76 CO 0.00 0.03 0.23 0.00 2.80 0.00 0.00 179.97 183.02 1aou s ALA 77 N -4.13 -2.73 0.33 2.80 0.00 -0.76 -5.17 121.76 112.11 1aou s ALA 77 Ca -0.03 2.03 0.04 0.00 0.00 0.00 0.00 51.96 54.00 1aou s ALA 77 Cb 0.12 -2.07 0.04 0.00 0.00 0.00 0.00 23.12 21.22 1aou s ALA 77 CO 0.49 -0.96 0.34 1.04 0.00 0.00 0.00 175.76 176.67 1aou n GLN 78 N 4.98 0.90 -0.54 0.00 1.13 -1.26 -4.47 117.38 118.13 1aou n GLN 78 Ca -0.09 -1.94 0.00 0.00 -1.94 0.00 0.00 57.00 53.03 1aou n GLN 78 Cb 0.53 0.06 0.00 0.00 0.11 0.00 0.00 30.24 30.93 1aou n GLN 78 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1aou n PHE 79 N -1.47 -0.14 -0.09 1.08 3.01 0.21 -4.84 117.46 115.21 1aou n PHE 79 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.40 1aou n PHE 79 Cb 0.36 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.70 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 1.11 -2.63 -1.08 0.28 -1.26 -1.37 120.64 115.69 1aou n GLU 80 Ca 0.00 0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.95 1aou n GLU 80 Cb 0.00 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 31.42 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 -2.72 0.00 0.05 3.84 5.66 -1.26 -4.55 114.28 115.31 1aou n THR 81 Ca -0.30 -0.77 -0.06 0.00 -3.05 0.00 0.00 64.05 59.87 1aou n THR 81 Cb 1.03 0.50 -0.11 0.00 -1.55 0.00 0.00 70.33 70.20 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 0.00 -0.04 1.09 3.38 -1.98 -2.37 115.31 115.39 1aou h LEU 82 Ca -0.13 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.58 1aou h LEU 82 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1aou h LEU 82 CO 0.17 0.94 -1.05 -0.61 0.09 0.00 0.00 178.44 177.98 1aou h GLN 83 N 0.00 0.53 -0.15 1.13 4.15 -1.97 -0.03 115.11 118.76 1aou h GLN 83 Ca -0.07 -0.61 -0.16 0.00 0.77 0.00 0.00 58.65 58.57 1aou h GLN 83 Cb 1.78 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.65 1aou h GLN 83 CO 0.11 1.23 -0.59 1.96 -1.93 0.00 0.00 178.83 179.62 1aou h GLN 84 N 0.28 0.49 0.06 1.69 1.08 -1.96 -1.70 115.11 115.06 1aou h GLN 84 Ca -0.12 -0.33 -0.24 0.00 -1.45 0.00 0.00 58.65 56.52 1aou h GLN 84 Cb 1.71 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.17 1aou h GLN 84 CO 0.19 0.93 -1.10 1.37 -0.95 0.00 0.00 178.83 179.28 1aou h LEU 85 N 0.37 0.25 -1.65 1.46 8.10 -1.45 -2.12 115.31 120.27 1aou h LEU 85 Ca -0.00 -0.26 0.00 0.00 0.11 0.00 0.00 57.88 57.73 1aou h LEU 85 Cb 1.13 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 1aou h LEU 85 CO 0.11 1.18 0.00 -0.37 -4.11 0.00 0.00 178.44 175.24 1aou h VAL 86 N 0.06 0.00 -0.05 0.15 -1.51 -0.92 0.54 116.25 114.52 1aou h VAL 86 Ca -0.08 -0.44 -0.18 0.00 -1.23 0.00 0.00 66.70 64.77 1aou h VAL 86 Cb 1.82 1.44 0.01 0.00 -2.13 0.00 0.00 31.29 32.44 1aou h VAL 86 CO 0.17 0.00 -0.69 -0.61 -1.23 0.00 0.00 177.57 175.21 1aou h GLN 87 N 0.00 0.55 -0.18 5.19 5.75 -0.89 -0.10 115.11 125.43 1aou h GLN 87 Ca 0.00 -0.53 -0.21 0.00 -0.15 0.00 0.00 58.65 57.76 1aou h GLN 87 Cb 0.44 0.13 0.01 0.00 1.07 0.00 0.00 27.48 29.14 1aou h GLN 87 CO 0.00 1.15 -0.72 1.25 -2.65 0.00 0.00 178.83 177.87 1aou h HIS 88 N 0.14 1.07 0.00 3.99 2.76 -0.78 -2.81 115.15 119.52 1aou h HIS 88 Ca -0.07 -0.45 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 1aou h HIS 88 Cb 1.36 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1aou h HIS 88 CO 0.12 1.29 0.00 1.88 -1.30 0.00 0.00 177.93 179.92 1aou h TYR 89 N 0.55 0.00 -0.22 5.26 -1.99 -0.97 -1.91 116.97 117.70 1aou h TYR 89 Ca -0.04 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.57 1aou h TYR 89 Cb 1.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.06 1aou h TYR 89 CO 0.09 0.00 -0.39 0.77 -0.00 0.00 0.00 178.16 178.63 1aou h SER 90 N 0.00 0.53 0.21 3.88 0.02 -0.73 -2.99 113.55 114.47 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 0.59 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1aou h SER 90 CO 0.00 0.87 -1.25 -0.62 -1.14 0.00 0.00 176.83 174.69 1aou n GLU 91 N -4.04 0.30 -3.98 3.45 1.02 -1.13 -4.94 120.64 111.33 1aou n GLU 91 Ca -0.01 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 56.98 1aou n GLU 91 Cb 0.50 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.22 1.05 0.05 3.49 0.52 -0.73 -5.05 118.95 115.05 1aou s ARG 92 Ca 0.02 -1.18 -0.06 0.00 -0.52 0.00 0.00 55.73 53.99 1aou s ARG 92 Cb 0.15 0.34 -0.29 0.00 0.52 0.00 0.00 34.95 35.67 1aou s ARG 92 CO 0.85 -0.36 1.04 0.00 0.02 0.00 0.00 175.30 176.84 1aou h ALA 93 N 2.65 0.10 0.00 2.13 0.00 -1.84 -3.34 119.26 118.97 1aou h ALA 93 Ca -0.33 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1aou h ALA 93 Cb 1.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1aou h ALA 93 CO 0.52 0.98 0.00 0.00 0.00 0.00 0.00 179.25 180.75 1aou n ALA 94 N -2.60 0.00 0.00 0.00 0.00 -1.26 -4.11 120.51 112.54 1aou n ALA 94 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1aou n ALA 94 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.06 0.67 0.00 0.00 0.00 -1.26 -4.96 105.19 98.58 1aou n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.01 0.99 -0.00 -1.26 -4.97 117.00 111.75 1aou n LEU 96 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1aou n LEU 96 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1aou n LEU 96 CO 0.00 -0.13 0.29 0.77 -0.00 0.00 0.00 177.39 178.32 1aou h SER 97 N -0.02 0.54 -5.06 1.45 4.64 -2.01 -3.47 113.55 109.63 1aou h SER 97 Ca 0.00 -0.73 -0.14 0.00 -0.47 0.00 0.00 61.79 60.45 1aou h SER 97 Cb 0.00 -0.16 -0.19 0.00 -0.31 0.00 0.00 62.40 61.74 1aou h SER 97 CO 0.00 1.19 -0.60 -0.44 -0.87 0.00 0.00 176.83 176.11 1aou s SER 98 N -6.71 0.22 0.00 4.97 0.01 -1.26 -5.10 113.70 105.84 1aou s SER 98 Ca -0.13 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1aou s SER 98 Cb 0.04 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1aou s SER 98 CO 0.82 -0.43 0.00 -2.11 0.41 0.00 0.00 173.24 171.93 1aou n ARG 99 N 1.07 2.42 -0.94 12.44 1.85 -1.26 -4.91 116.66 127.33 1aou n ARG 99 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 1aou n ARG 99 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 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 -4.07 2.89 -0.00 -1.25 -4.86 117.00 109.70 1aou n LEU 100 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.56 1aou n LEU 100 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1aou n LEU 100 CO 0.00 -0.08 1.88 0.52 -0.00 0.00 0.00 177.39 179.71 1aou n VAL 101 N -0.17 0.00 -1.45 1.47 0.31 -1.26 -4.53 118.33 112.70 1aou n VAL 101 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1aou n VAL 101 Cb 0.00 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1aou n VAL 101 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1aou n VAL 102 N 6.57 1.74 -1.52 2.52 3.14 -0.71 -4.89 118.33 125.20 1aou n VAL 102 Ca 0.57 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 61.14 1aou n VAL 102 Cb 0.00 -0.52 0.06 0.00 -1.06 0.00 0.00 33.84 32.32 1aou n VAL 102 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1aou s PRO 103 N -1.52 2.68 -1.58 1.45 0.04 -1.26 -3.51 135.00 131.30 1aou s PRO 103 Ca 0.63 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 1aou s PRO 103 Cb -0.63 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.03 1aou s PRO 103 CO 0.58 -1.31 0.41 -1.13 0.04 0.00 0.00 177.00 175.59 1aou n SER 104 N -3.08 -0.84 0.20 6.66 3.41 -1.26 -4.71 113.62 114.00 1aou n SER 104 Ca 0.09 -1.12 0.18 0.00 -0.26 0.00 0.00 58.87 57.76 1aou n SER 104 Cb 0.53 -2.39 0.75 0.00 -0.26 0.00 0.00 64.21 62.84 1aou n SER 104 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1aou h HIS 105 N -1.63 0.00 0.00 7.33 2.07 -1.93 -3.55 115.15 117.44 1aou h HIS 105 Ca -0.63 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.89 1aou h HIS 105 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 1aou h HIS 105 CO 0.56 0.00 0.00 1.17 -3.07 0.00 0.00 177.93 176.59