#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 1.30 0.00 2.46 3.06 -1.26 -4.97 119.36 119.95 1aou n ILE 2 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1aou n ILE 2 Cb 0.00 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 39.93 1aou n ILE 2 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1aou n GLN 3 N 0.97 0.00 0.00 9.51 1.13 -1.26 -5.05 117.38 122.67 1aou n GLN 3 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1aou n GLN 3 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.73 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 -3.00 0.00 0.00 -1.58 0.00 -1.12 -4.97 120.51 109.84 1aou n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1aou n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.19 0.00 0.28 0.49 -4.52 120.64 117.08 1aou n GLU 5 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1aou n GLU 5 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1aou n GLU 5 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1aou h GLU 6 N 0.00 -0.48 0.00 3.44 5.08 -1.95 -3.40 114.58 117.27 1aou h GLU 6 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1aou h GLU 6 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1aou h GLU 6 CO 0.00 -0.32 0.00 -2.67 -1.00 0.00 0.00 179.01 175.02 1aou n TRP 7 N -3.71 0.00 -3.72 4.33 4.27 -1.24 -4.39 117.44 112.98 1aou n TRP 7 Ca -0.06 -0.08 -0.13 0.00 -3.89 0.00 0.00 57.50 53.34 1aou n TRP 7 Cb 0.20 -0.01 -0.13 0.00 -1.36 0.00 0.00 31.31 30.00 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 -0.17 -0.32 -0.25 -2.67 6.14 -1.26 0.28 117.35 119.10 1aou s TYR 8 Ca 0.00 0.78 -0.02 0.00 0.64 0.00 0.00 57.07 58.47 1aou s TYR 8 Cb 0.00 0.01 -0.17 0.00 0.42 0.00 0.00 41.96 42.22 1aou s TYR 8 CO 0.00 -0.25 -0.21 1.19 0.64 0.00 0.00 175.55 176.92 1aou n PHE 9 N 4.43 0.09 0.00 4.97 3.01 -0.74 0.19 117.46 129.41 1aou n PHE 9 Ca -0.22 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1aou n PHE 9 Cb 0.52 -1.01 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 2.06 0.31 2.83 1.37 0.00 -1.25 -4.76 105.19 105.75 1aou n GLY 10 Ca -0.47 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 4.02 -3.82 1.61 5.02 -1.26 -1.85 118.16 121.89 1aou n LYS 11 Ca 0.00 -4.60 -0.22 0.00 -2.02 0.00 0.00 58.31 51.47 1aou n LYS 11 Cb 0.00 -2.44 -0.04 0.00 -0.02 0.00 0.00 35.03 32.53 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 -2.83 3.45 0.00 -0.35 2.96 -1.26 -4.71 118.68 115.95 1aou s LEU 12 Ca 0.34 -0.65 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1aou s LEU 12 Cb 0.09 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1aou s LEU 12 CO 0.06 -0.43 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 1aou n GLY 13 N -1.37 4.48 0.11 7.98 0.00 -1.26 -3.14 105.19 112.00 1aou n GLY 13 Ca -0.01 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.06 1aou n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1aou n ARG 14 N -0.10 0.61 -0.05 1.61 0.00 -1.26 -2.69 116.66 114.77 1aou n ARG 14 Ca 0.00 0.12 -0.16 0.00 -0.00 0.00 0.00 57.85 57.81 1aou n ARG 14 Cb 0.00 -1.82 -0.06 0.00 -0.00 0.00 0.00 32.46 30.58 1aou n ARG 14 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1aou h LYS 15 N 0.00 0.79 0.07 2.89 1.57 -2.00 -2.72 116.57 117.16 1aou h LYS 15 Ca -0.01 -0.56 -0.12 0.00 -1.87 0.00 0.00 60.65 58.10 1aou h LYS 15 Cb 1.03 0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.44 1aou h LYS 15 CO 0.00 1.18 -0.51 0.22 -0.57 0.00 0.00 179.45 179.77 1aou h ASP 16 N 0.53 0.33 -0.90 0.86 1.82 -1.97 -2.73 116.42 114.37 1aou h ASP 16 Ca -0.01 -0.90 0.25 0.00 -0.39 0.00 0.00 57.03 55.97 1aou h ASP 16 Cb 1.22 -0.11 -0.15 0.00 0.68 0.00 0.00 39.33 40.97 1aou h ASP 16 CO 0.13 1.21 0.19 0.00 -1.61 0.00 0.00 179.24 179.16 1aou h ALA 17 N 0.13 1.27 -0.40 -0.78 0.00 -1.56 1.20 119.26 119.12 1aou h ALA 17 Ca -0.08 0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1aou h ALA 17 Cb 1.35 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1aou h ALA 17 CO 0.10 -0.51 -0.31 1.05 0.00 0.00 0.00 179.25 179.57 1aou h GLU 18 N 0.15 0.90 0.00 0.00 4.11 -1.52 -2.29 114.58 115.94 1aou h GLU 18 Ca 0.57 -0.43 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1aou h GLU 18 Cb 1.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1aou h GLU 18 CO -0.72 1.08 0.00 -2.13 0.07 0.00 0.00 179.01 177.32 1aou n ARG 19 N -4.08 0.00 -0.22 1.06 0.00 0.39 -1.02 116.66 112.80 1aou n ARG 19 Ca -0.01 0.33 -0.12 0.00 -0.00 0.00 0.00 57.85 58.05 1aou n ARG 19 Cb 0.50 -1.28 -0.09 0.00 0.00 0.00 0.00 32.46 31.59 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 -0.24 0.00 -0.14 4.15 -0.91 -0.17 115.11 117.79 1aou h GLN 20 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1aou h GLN 20 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1aou h GLN 20 CO 0.00 -0.16 0.00 1.28 -1.93 0.00 0.00 178.83 178.02 1aou n LEU 21 N -5.14 0.00 -0.34 -2.39 4.77 -0.86 -0.26 117.00 112.77 1aou n LEU 21 Ca -0.02 0.98 0.36 0.00 -0.03 0.00 0.00 56.01 57.30 1aou n LEU 21 Cb 0.29 -0.48 0.61 0.00 -2.33 0.00 0.00 43.42 41.51 1aou n LEU 21 CO -0.05 -0.48 1.33 -0.07 -1.33 0.00 0.00 177.39 176.80 1aou h LEU 22 N 0.00 0.00 -9.50 2.23 3.38 -0.74 -3.40 115.31 107.28 1aou h LEU 22 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1aou h LEU 22 Cb 0.00 0.00 0.20 0.00 0.09 0.00 0.00 40.66 40.95 1aou h LEU 22 CO 0.00 0.00 -0.79 -0.24 0.09 0.00 0.00 178.44 177.50 1aou n SER 23 N -3.57 -2.70 -3.90 -0.43 2.88 0.63 -4.75 113.62 101.78 1aou n SER 23 Ca 0.28 -0.27 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 1aou n SER 23 Cb 1.57 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 -4.54 3.56 0.00 0.66 7.35 -1.26 -4.28 117.46 118.96 1aou n PHE 24 Ca 0.03 -2.93 0.00 0.00 -0.76 0.00 0.00 57.45 53.79 1aou n PHE 24 Cb 0.54 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 38.01 1aou n PHE 24 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1aou n GLY 25 N 3.85 0.00 3.57 7.13 0.00 -1.26 -5.10 105.19 113.38 1aou n GLY 25 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.39 -0.46 0.76 1.61 0.01 -1.26 -5.17 114.94 107.05 1aou s ASN 26 Ca 0.00 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.68 1aou s ASN 26 Cb 0.00 0.42 0.00 0.00 0.41 0.00 0.00 41.25 42.08 1aou s ASN 26 CO 0.00 -0.40 0.00 -0.81 -1.51 0.00 0.00 177.10 174.38 1aou n PRO 27 N 0.90 0.08 -0.51 -0.60 -0.04 -1.26 -4.90 135.00 128.67 1aou n PRO 27 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 1aou n PRO 27 Cb 0.57 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.23 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 -0.84 -2.57 -0.99 0.54 -4.01 -1.26 -3.40 116.66 104.12 1aou n ARG 28 Ca 0.00 -0.75 0.00 0.00 -1.04 0.00 0.00 57.85 56.06 1aou n ARG 28 Cb 0.00 -1.68 0.00 0.00 -3.04 0.00 0.00 32.46 27.74 1aou n ARG 28 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1aou n GLY 29 N 2.10 0.42 3.75 2.89 0.00 -1.20 -5.00 105.19 108.16 1aou n GLY 29 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.90 5.31 0.17 2.61 2.01 -1.22 -3.72 115.64 118.91 1aou s THR 30 Ca 0.00 0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.26 1aou s THR 30 Cb 0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1aou s THR 30 CO 0.00 0.49 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.84 1aou s PHE 31 N 0.01 2.37 0.05 4.92 0.40 -1.26 -1.33 117.98 123.14 1aou s PHE 31 Ca 0.09 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1aou s PHE 31 Cb -0.11 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 1aou s PHE 31 CO -0.00 0.46 0.02 -1.17 0.70 0.00 0.00 175.22 175.23 1aou s LEU 32 N -2.53 2.23 0.29 -0.37 0.20 -0.71 -3.70 118.68 114.09 1aou s LEU 32 Ca 0.20 -0.85 0.03 0.00 0.69 0.00 0.00 54.13 54.20 1aou s LEU 32 Cb -0.09 0.36 -0.06 0.00 -0.43 0.00 0.00 46.19 45.98 1aou s LEU 32 CO 0.10 -0.58 0.05 -0.63 -0.29 0.00 0.00 176.35 175.00 1aou s ILE 33 N -3.54 1.02 0.00 6.68 1.01 0.81 0.20 121.20 127.37 1aou s ILE 33 Ca 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.67 1aou s ILE 33 Cb 0.05 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1aou s ILE 33 CO -0.09 -0.07 0.00 -2.11 0.00 0.00 0.00 174.94 172.68 1aou n ARG 34 N -0.58 0.00 -1.76 2.79 1.85 -0.97 -1.79 116.66 116.21 1aou n ARG 34 Ca -0.02 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.41 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 4.13 0.04 2.89 2.02 -0.77 0.16 118.70 125.17 1aou s GLU 35 Ca 0.00 2.58 -0.22 0.00 0.02 0.00 0.00 54.97 57.35 1aou s GLU 35 Cb 0.00 -3.07 -0.06 0.00 0.10 0.00 0.00 34.13 31.11 1aou s GLU 35 CO 0.00 -0.71 0.66 -1.12 0.02 0.00 0.00 175.26 174.12 1aou s SER 36 N 0.98 7.10 -0.02 -0.19 0.01 -0.38 -4.37 113.70 116.83 1aou s SER 36 Ca 0.71 1.31 0.11 0.00 1.31 0.00 0.00 55.95 59.40 1aou s SER 36 Cb -0.49 -2.41 0.36 0.00 0.21 0.00 0.00 66.02 63.69 1aou s SER 36 CO 0.37 0.11 1.26 -0.62 0.41 0.00 0.00 173.24 174.77 1aou n GLU 37 N 2.50 2.12 -0.05 12.44 1.02 -1.26 -3.12 120.64 134.28 1aou n GLU 37 Ca -0.06 -1.45 -0.14 0.00 -0.02 0.00 0.00 57.16 55.50 1aou n GLU 37 Cb 0.50 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.44 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 2.24 1.36 -4.04 2.62 1.03 -1.96 -3.46 112.91 110.69 1aou h THR 38 Ca 0.00 -1.50 -0.02 0.00 -0.01 0.00 0.00 66.41 64.88 1aou h THR 38 Cb 0.66 1.96 -0.00 0.00 -1.07 0.00 0.00 68.15 69.70 1aou h THR 38 CO 0.05 0.45 -0.01 1.07 -0.01 0.00 0.00 175.52 177.07 1aou n THR 39 N -4.42 0.00 -0.36 0.00 5.66 -1.26 -4.96 114.28 108.94 1aou n THR 39 Ca -0.06 -0.06 0.31 0.00 -3.05 0.00 0.00 64.05 61.18 1aou n THR 39 Cb 0.45 -0.26 0.57 0.00 -1.55 0.00 0.00 70.33 69.54 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 0.13 0.00 1.09 1.79 -1.89 -3.39 116.57 114.30 1aou h LYS 40 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1aou h LYS 40 Cb 0.04 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1aou h LYS 40 CO 0.02 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.88 1aou n GLY 41 N -1.35 -1.78 0.00 3.86 0.00 -1.26 -5.00 105.19 99.66 1aou n GLY 41 Ca 0.36 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.10 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 -2.73 4.61 0.00 -1.18 -4.76 120.51 116.45 1aou n ALA 42 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1aou n ALA 42 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1aou n ALA 42 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1aou s TYR 43 N 0.78 1.83 0.31 0.00 2.02 -0.46 -1.25 117.35 120.57 1aou s TYR 43 Ca 0.00 -1.02 -0.09 0.00 -0.37 0.00 0.00 57.07 55.59 1aou s TYR 43 Cb 0.00 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1aou s TYR 43 CO 0.00 0.14 0.52 0.45 -1.57 0.00 0.00 175.55 175.09 1aou s SER 44 N -3.85 0.36 -0.43 2.29 0.15 0.41 0.24 113.70 112.87 1aou s SER 44 Ca 0.07 -1.21 0.05 0.00 0.70 0.00 0.00 55.95 55.57 1aou s SER 44 Cb 0.01 0.66 0.17 0.00 -1.71 0.00 0.00 66.02 65.16 1aou s SER 44 CO 0.04 -1.29 0.53 -0.22 1.20 0.00 0.00 173.24 173.50 1aou s LEU 45 N -3.12 -0.49 1.07 3.45 2.96 0.24 -2.28 118.68 120.50 1aou s LEU 45 Ca 0.25 -1.78 -0.12 0.00 -0.22 0.00 0.00 54.13 52.25 1aou s LEU 45 Cb -0.01 1.06 0.21 0.00 0.50 0.00 0.00 46.19 47.95 1aou s LEU 45 CO 0.14 -0.16 0.95 -1.20 -1.32 0.00 0.00 176.35 174.77 1aou n SER 46 N 3.57 -1.05 -3.30 3.68 7.64 0.55 -1.54 113.62 123.17 1aou n SER 46 Ca 0.17 0.08 -0.10 0.00 1.01 0.00 0.00 58.87 60.04 1aou n SER 46 Cb 0.51 -1.32 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 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 -2.48 -0.61 0.30 0.44 2.07 -0.60 -1.74 121.20 118.59 1aou s ILE 47 Ca 0.66 -0.51 -0.29 0.00 -1.41 0.00 0.00 60.65 59.10 1aou s ILE 47 Cb -0.23 -0.63 -0.12 0.00 0.13 0.00 0.00 42.46 41.60 1aou s ILE 47 CO 0.63 -0.33 1.40 -1.14 -1.91 0.00 0.00 174.94 173.58 1aou n ARG 48 N 4.68 2.24 -2.82 3.50 0.00 -0.44 -1.60 116.66 122.22 1aou n ARG 48 Ca 0.08 0.79 -0.11 0.00 -0.00 0.00 0.00 57.85 58.60 1aou n ARG 48 Cb 0.50 -2.45 0.03 0.00 0.00 0.00 0.00 32.46 30.54 1aou n ARG 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1aou n ASP 49 N 1.46 0.64 -4.24 6.15 -0.08 -0.95 -3.25 116.55 116.28 1aou n ASP 49 Ca 0.07 -2.83 -0.34 0.00 -1.51 0.00 0.00 54.79 50.19 1aou n ASP 49 Cb 0.35 -0.22 0.13 0.00 2.34 0.00 0.00 41.12 43.72 1aou n ASP 49 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1aou n TRP 50 N -0.00 -1.64 -3.73 -0.67 -0.00 -1.26 -4.38 117.44 105.76 1aou n TRP 50 Ca 0.12 0.23 -0.13 0.00 -0.00 0.00 0.00 57.50 57.72 1aou n TRP 50 Cb 0.77 -1.56 -0.08 0.00 -0.00 0.00 0.00 31.31 30.44 1aou n TRP 50 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1aou s ASP 51 N -1.68 -0.20 -0.22 5.87 2.15 -0.41 -4.85 116.67 117.33 1aou s ASP 51 Ca 0.52 -0.00 -0.02 0.00 0.43 0.00 0.00 52.55 53.48 1aou s ASP 51 Cb -0.10 0.35 0.08 0.00 -0.30 0.00 0.00 42.92 42.96 1aou s ASP 51 CO 0.67 -0.55 2.29 -0.67 -0.17 0.00 0.00 175.17 176.75 1aou n ASP 52 N 0.89 6.04 -0.64 -0.34 -0.08 -1.26 -2.99 116.55 118.17 1aou n ASP 52 Ca -0.20 -2.84 -0.02 0.00 -1.51 0.00 0.00 54.79 50.21 1aou n ASP 52 Cb 0.58 -1.14 -0.02 0.00 2.34 0.00 0.00 41.12 42.88 1aou n ASP 52 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1aou n MET 53 N 0.96 0.00 0.00 -0.67 0.00 -1.26 -4.97 117.12 111.18 1aou n MET 53 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 57.70 57.64 1aou n MET 53 Cb 0.59 0.17 0.00 0.00 0.00 0.00 0.00 33.22 33.98 1aou n MET 53 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1aou n LYS 54 N 0.00 0.00 0.00 3.17 2.85 -1.24 -5.16 118.16 117.78 1aou n LYS 54 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 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 -0.14 0.35 3.86 2.58 0.00 -1.16 -5.00 105.19 105.68 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 0.99 0.00 0.00 0.00 173.32 174.31 1aou s ASP 56 N -4.00 3.71 0.26 1.61 1.11 -1.26 -1.28 116.67 116.82 1aou s ASP 56 Ca 0.00 0.72 -0.20 0.00 0.18 0.00 0.00 52.55 53.25 1aou s ASP 56 Cb 0.00 -1.13 0.07 0.00 1.07 0.00 0.00 42.92 42.92 1aou s ASP 56 CO 0.00 -2.40 0.94 -1.00 1.18 0.00 0.00 175.17 173.89 1aou s HIS 57 N -3.52 0.08 -0.28 4.23 3.76 -1.26 -4.78 115.29 113.51 1aou s HIS 57 Ca 0.66 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.90 1aou s HIS 57 Cb -0.11 0.75 0.13 0.00 1.11 0.00 0.00 32.58 34.46 1aou s HIS 57 CO 0.52 -1.17 0.61 0.08 -0.85 0.00 0.00 174.74 173.92 1aou s VAL 58 N -2.30 -0.94 0.03 -0.90 1.01 -1.26 -2.23 120.40 113.80 1aou s VAL 58 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1aou s VAL 58 Cb -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1aou s VAL 58 CO 0.07 0.01 0.04 0.29 0.00 0.00 0.00 175.10 175.52 1aou n LYS 59 N 5.44 0.82 -3.52 2.72 4.01 -0.63 -4.86 118.16 122.14 1aou n LYS 59 Ca -0.11 -0.14 -0.17 0.00 -0.51 0.00 0.00 58.31 57.39 1aou n LYS 59 Cb 0.49 -0.02 -0.06 0.00 -0.51 0.00 0.00 35.03 34.94 1aou n LYS 59 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1aou s HIS 60 N 0.54 -0.61 -0.23 2.13 3.76 -1.26 -1.55 115.29 118.07 1aou s HIS 60 Ca 0.03 0.95 -0.01 0.00 -0.15 0.00 0.00 55.06 55.88 1aou s HIS 60 Cb -0.00 0.41 0.07 0.00 1.11 0.00 0.00 32.58 34.16 1aou s HIS 60 CO 0.02 -0.63 0.01 0.71 -0.85 0.00 0.00 174.74 174.00 1aou s TYR 61 N -1.57 1.67 -0.37 1.40 2.02 -0.59 -4.92 117.35 114.99 1aou s TYR 61 Ca -0.09 -1.34 -0.29 0.00 -0.37 0.00 0.00 57.07 54.98 1aou s TYR 61 Cb -0.00 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 1aou s TYR 61 CO 0.06 -0.71 1.44 -1.59 -1.57 0.00 0.00 175.55 173.18 1aou s LYS 62 N 1.64 3.64 -0.65 -0.62 -2.85 -1.26 0.83 119.74 120.47 1aou s LYS 62 Ca -0.01 1.10 -0.28 0.00 -1.00 0.00 0.00 55.97 55.78 1aou s LYS 62 Cb -0.18 -4.01 0.03 0.00 -2.06 0.00 0.00 37.83 31.61 1aou s LYS 62 CO -0.09 -1.48 1.28 0.42 0.10 0.00 0.00 175.35 175.58 1aou s ILE 63 N 5.32 3.84 0.91 3.79 1.09 0.14 -4.53 121.20 131.75 1aou s ILE 63 Ca 0.63 0.64 -0.15 0.00 -1.10 0.00 0.00 60.65 60.66 1aou s ILE 63 Cb -0.16 -4.74 0.22 0.00 -1.06 0.00 0.00 42.46 36.72 1aou s ILE 63 CO 0.31 -1.52 1.08 -1.14 -0.10 0.00 0.00 174.94 173.56 1aou n ARG 64 N 8.89 -1.69 -3.69 2.79 3.00 -0.87 -1.36 116.66 123.74 1aou n ARG 64 Ca 0.07 -1.68 -0.16 0.00 -0.00 0.00 0.00 57.85 56.09 1aou n ARG 64 Cb 0.49 -1.25 -0.15 0.00 0.00 0.00 0.00 32.46 31.55 1aou n ARG 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1aou s LYS 65 N -5.38 0.06 0.69 -0.14 2.20 -1.26 -2.38 119.74 113.54 1aou s LYS 65 Ca 0.64 0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 56.61 1aou s LYS 65 Cb -0.03 -0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.07 1aou s LYS 65 CO 0.46 -0.26 1.14 1.28 -0.36 0.00 0.00 175.35 177.60 1aou n LEU 66 N 5.01 4.72 0.21 5.43 7.99 -0.61 -4.77 117.00 134.99 1aou n LEU 66 Ca -0.11 0.73 0.15 0.00 -0.01 0.00 0.00 56.01 56.77 1aou n LEU 66 Cb 0.50 -1.48 0.56 0.00 -0.11 0.00 0.00 43.42 42.89 1aou n LEU 66 CO 0.08 -1.54 0.92 0.44 -1.51 0.00 0.00 177.39 175.78 1aou h ASP 67 N 0.02 0.00 0.00 -1.43 5.19 -2.00 -0.95 116.42 117.25 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 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1aou h ASP 67 CO 0.50 0.00 -0.04 0.59 -3.12 0.00 0.00 179.24 177.17 1aou n ASN 68 N -2.73 1.86 -0.44 6.45 3.02 -1.26 -4.96 115.26 117.20 1aou n ASN 68 Ca 0.02 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1aou n ASN 68 Cb 0.30 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 1.24 -0.24 3.04 7.41 0.00 -0.36 -5.11 105.19 111.18 1aou n GLY 69 Ca 0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.17 -0.87 0.04 -0.02 0.00 -1.21 -4.61 107.32 100.48 1aou s GLY 70 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 1aou s GLY 70 CO 0.00 3.37 1.51 -0.19 0.00 0.00 0.00 173.10 177.80 1aou s TYR 71 N 1.64 2.68 -0.13 1.90 2.02 0.52 -1.57 117.35 124.41 1aou s TYR 71 Ca 0.17 0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 57.41 1aou s TYR 71 Cb -0.07 -3.80 0.05 0.00 -0.40 0.00 0.00 41.96 37.74 1aou s TYR 71 CO -0.06 -3.08 0.30 1.52 -1.57 0.00 0.00 175.55 172.66 1aou s TYR 72 N 2.45 -0.42 0.10 2.71 1.13 -1.00 0.57 117.35 122.89 1aou s TYR 72 Ca 0.68 0.95 0.09 0.00 -1.41 0.00 0.00 57.07 57.39 1aou s TYR 72 Cb -0.35 0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.57 1aou s TYR 72 CO 0.29 -0.27 1.37 0.82 -2.51 0.00 0.00 175.55 175.25 1aou h ILE 73 N 5.72 1.51 -4.18 -3.49 2.04 -1.80 -2.31 117.51 115.00 1aou h ILE 73 Ca -0.39 -2.98 -0.48 0.00 1.00 0.00 0.00 64.86 62.01 1aou h ILE 73 Cb 1.17 2.65 -0.28 0.00 -0.74 0.00 0.00 36.82 39.61 1aou h ILE 73 CO 0.35 0.83 -0.81 0.28 0.00 0.00 0.00 178.15 178.79 1aou s THR 74 N -2.91 1.10 -1.29 -0.27 -1.32 -1.26 -4.81 115.64 104.88 1aou s THR 74 Ca 0.01 -0.65 0.06 0.00 -1.21 0.00 0.00 61.69 59.90 1aou s THR 74 Cb 0.10 -0.93 0.09 0.00 -1.51 0.00 0.00 72.50 70.25 1aou s THR 74 CO 0.79 0.27 1.10 0.35 -2.21 0.00 0.00 174.62 174.92 1aou n THR 75 N 2.62 1.13 0.32 5.08 -2.24 -1.26 -1.76 114.28 118.18 1aou n THR 75 Ca -0.15 0.28 0.16 0.00 -2.27 0.00 0.00 64.05 62.07 1aou n THR 75 Cb 0.55 -1.18 0.65 0.00 -2.10 0.00 0.00 70.33 68.25 1aou n THR 75 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1aou h ARG 76 N 0.00 0.00 -1.94 -0.78 3.08 -1.97 -3.43 114.38 109.35 1aou h ARG 76 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1aou h ARG 76 Cb 0.07 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.91 1aou h ARG 76 CO 0.00 0.00 0.08 0.00 -1.07 0.00 0.00 179.97 178.98 1aou s ALA 77 N -3.57 -1.92 0.46 0.04 0.00 -0.72 -5.17 121.76 110.88 1aou s ALA 77 Ca 0.02 2.35 0.03 0.00 0.00 0.00 0.00 51.96 54.36 1aou s ALA 77 Cb 0.09 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1aou s ALA 77 CO 0.47 -0.37 0.05 1.14 0.00 0.00 0.00 175.76 177.06 1aou s GLN 78 N 1.45 2.07 0.16 0.00 0.00 -1.26 -4.27 119.66 117.81 1aou s GLN 78 Ca -0.09 -2.29 0.00 0.00 -0.00 0.00 0.00 55.36 52.99 1aou s GLN 78 Cb -0.05 -1.19 -0.00 0.00 0.00 0.00 0.00 33.01 31.78 1aou s GLN 78 CO -0.17 -0.38 0.20 1.19 0.00 0.00 0.00 175.29 176.13 1aou n PHE 79 N -1.10 -0.75 -0.05 9.60 3.01 0.19 -4.77 117.46 123.59 1aou n PHE 79 Ca -0.13 -1.11 -0.05 0.00 1.01 0.00 0.00 57.45 57.16 1aou n PHE 79 Cb 0.66 0.22 -0.15 0.00 -0.01 0.00 0.00 39.48 40.21 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 -0.27 0.66 -3.41 -1.08 0.28 -1.26 -0.35 120.64 115.21 1aou n GLU 80 Ca 0.01 0.05 -0.11 0.00 -0.16 0.00 0.00 57.16 56.95 1aou n GLU 80 Cb 0.27 -1.61 -0.02 0.00 1.43 0.00 0.00 31.44 31.50 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 -2.75 0.00 0.04 3.84 5.66 -1.26 -4.73 114.28 115.08 1aou n THR 81 Ca -0.22 -1.36 -0.06 0.00 -3.05 0.00 0.00 64.05 59.36 1aou n THR 81 Cb 1.01 0.84 -0.11 0.00 -1.55 0.00 0.00 70.33 70.52 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 -0.38 1.09 3.38 -1.98 -2.63 115.31 114.78 1aou h LEU 82 Ca -0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1aou h LEU 82 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1aou h LEU 82 CO 0.28 0.92 -0.79 -0.61 0.09 0.00 0.00 178.44 178.34 1aou h GLN 83 N 0.00 0.26 -0.26 1.13 -0.00 -1.96 0.14 115.11 114.43 1aou h GLN 83 Ca -0.10 -0.24 -0.19 0.00 -0.00 0.00 0.00 58.65 58.11 1aou h GLN 83 Cb 1.79 0.06 0.00 0.00 0.00 0.00 0.00 27.48 29.33 1aou h GLN 83 CO 0.10 0.93 -0.60 1.96 0.00 0.00 0.00 178.83 181.22 1aou h GLN 84 N 0.17 0.86 0.02 1.69 7.50 -1.96 -1.81 115.11 121.58 1aou h GLN 84 Ca -0.04 -0.58 -0.21 0.00 0.50 0.00 0.00 58.65 58.33 1aou h GLN 84 Cb 1.38 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.98 1aou h GLN 84 CO 0.13 1.21 -0.96 1.37 -1.50 0.00 0.00 178.83 179.07 1aou h LEU 85 N 0.63 0.15 -1.55 1.46 8.10 -1.46 -2.37 115.31 120.27 1aou h LEU 85 Ca -0.00 -0.14 -0.02 0.00 0.11 0.00 0.00 57.88 57.83 1aou h LEU 85 Cb 1.21 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 41.39 1aou h LEU 85 CO 0.13 1.02 -0.07 -0.37 -4.11 0.00 0.00 178.44 175.04 1aou h VAL 86 N 0.04 0.21 -0.16 0.15 -1.51 -0.93 0.53 116.25 114.58 1aou h VAL 86 Ca -0.04 -0.63 -0.13 0.00 -1.23 0.00 0.00 66.70 64.67 1aou h VAL 86 Cb 1.65 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 1aou h VAL 86 CO 0.14 0.07 -0.39 -0.61 -1.23 0.00 0.00 177.57 175.54 1aou h GLN 87 N 0.00 0.55 -0.11 5.19 5.75 -0.84 0.22 115.11 125.87 1aou h GLN 87 Ca -0.00 -0.38 -0.17 0.00 -0.15 0.00 0.00 58.65 57.95 1aou h GLN 87 Cb 0.51 0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.12 1aou h GLN 87 CO 0.01 0.99 -0.60 1.25 -2.65 0.00 0.00 178.83 177.83 1aou h HIS 88 N 0.19 0.82 0.00 3.99 2.76 -0.95 -2.84 115.15 119.12 1aou h HIS 88 Ca -0.00 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 1aou h HIS 88 Cb 1.00 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.84 1aou h HIS 88 CO 0.10 1.16 0.00 0.66 -1.30 0.00 0.00 177.93 178.55 1aou n TYR 89 N -4.14 0.86 -0.17 5.26 4.02 0.13 -1.83 117.16 121.29 1aou n TYR 89 Ca -0.08 0.30 -0.04 0.00 -0.01 0.00 0.00 57.90 58.07 1aou n TYR 89 Cb 0.65 -0.99 0.15 0.00 -0.02 0.00 0.00 39.34 39.14 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 0.86 -0.01 7.72 0.02 -0.30 -2.68 113.55 119.16 1aou h SER 90 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1aou h SER 90 Cb 0.51 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1aou h SER 90 CO 0.00 0.84 -0.74 -0.62 -1.14 0.00 0.00 176.83 175.17 1aou n GLU 91 N -4.26 0.88 -4.02 3.45 -0.58 -1.12 -4.95 120.64 110.03 1aou n GLU 91 Ca 0.04 -0.35 -0.09 0.00 -0.42 0.00 0.00 57.16 56.34 1aou n GLU 91 Cb 0.23 -1.42 -0.08 0.00 -0.57 0.00 0.00 31.44 29.61 1aou n GLU 91 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1aou s ARG 92 N -2.64 1.04 -0.08 3.49 0.52 -0.76 -5.05 118.95 115.47 1aou s ARG 92 Ca 0.11 -1.25 -0.04 0.00 -0.52 0.00 0.00 55.73 54.02 1aou s ARG 92 Cb 0.15 0.32 -0.27 0.00 0.52 0.00 0.00 34.95 35.68 1aou s ARG 92 CO 0.69 -0.35 0.53 0.00 0.02 0.00 0.00 175.30 176.20 1aou h ALA 93 N 2.69 0.42 0.00 2.13 0.00 -1.85 -3.34 119.26 119.30 1aou h ALA 93 Ca -0.33 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.25 1aou h ALA 93 Cb 1.21 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1aou h ALA 93 CO 0.53 1.28 0.00 0.00 0.00 0.00 0.00 179.25 181.06 1aou n ALA 94 N -2.86 0.00 0.00 0.00 0.00 -1.26 -4.06 120.51 112.33 1aou n ALA 94 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1aou n ALA 94 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 0.96 3.89 0.00 0.00 -1.26 -5.00 105.19 101.78 1aou n GLY 95 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.48 0.25 0.99 2.34 -1.26 -4.93 118.68 118.55 1aou s LEU 96 Ca 0.00 0.81 -0.03 0.00 0.06 0.00 0.00 54.13 54.96 1aou s LEU 96 Cb 0.00 -3.29 0.51 0.00 -0.56 0.00 0.00 46.19 42.85 1aou s LEU 96 CO 0.00 -1.94 1.69 -1.28 -1.06 0.00 0.00 176.35 173.76 1aou h SER 97 N -1.08 0.10 -5.17 1.48 0.87 -2.01 -3.43 113.55 104.31 1aou h SER 97 Ca -0.46 0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 1aou h SER 97 Cb 1.33 0.17 -0.15 0.00 -0.44 0.00 0.00 62.40 63.32 1aou h SER 97 CO 0.66 -0.02 -0.47 -0.94 -0.53 0.00 0.00 176.83 175.53 1aou s SER 98 N -5.24 0.23 0.79 6.23 1.04 -1.26 -5.07 113.70 110.42 1aou s SER 98 Ca -0.12 -0.73 -0.06 0.00 0.48 0.00 0.00 55.95 55.51 1aou s SER 98 Cb 0.22 0.29 0.14 0.00 0.10 0.00 0.00 66.02 66.77 1aou s SER 98 CO 0.76 -0.67 1.10 0.00 0.98 0.00 0.00 173.24 175.41 1aou s ARG 99 N -3.74 1.42 0.32 4.02 1.70 -1.26 -4.88 118.95 116.53 1aou s ARG 99 Ca 0.04 -0.79 -0.04 0.00 -0.47 0.00 0.00 55.73 54.48 1aou s ARG 99 Cb 0.05 -2.16 0.06 0.00 -0.57 0.00 0.00 34.95 32.33 1aou s ARG 99 CO -0.10 -1.72 0.13 1.47 -1.08 0.00 0.00 175.30 174.00 1aou n LEU 100 N -3.13 0.00 -4.65 -1.89 -0.00 -1.25 -4.65 117.00 101.42 1aou n LEU 100 Ca 0.14 -0.14 -0.53 0.00 -0.00 0.00 0.00 56.01 55.48 1aou n LEU 100 Cb 0.60 -0.24 -0.06 0.00 -0.00 0.00 0.00 43.42 43.72 1aou n LEU 100 CO 0.45 -1.62 1.15 1.33 -0.00 0.00 0.00 177.39 178.70 1aou n VAL 101 N -3.09 0.18 -0.02 1.47 0.24 -1.26 -4.59 118.33 111.26 1aou n VAL 101 Ca 0.02 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.34 62.13 1aou n VAL 101 Cb 0.09 -1.16 -0.13 0.00 -1.47 0.00 0.00 33.84 31.17 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 4.30 1.67 -3.51 3.34 2.07 -1.83 -3.47 116.25 118.82 1aou h VAL 102 Ca -0.47 -2.36 -0.36 0.00 0.82 0.00 0.00 66.70 64.34 1aou h VAL 102 Cb 1.31 3.24 0.15 0.00 -1.52 0.00 0.00 31.29 34.47 1aou h VAL 102 CO 0.88 0.64 0.34 -0.81 0.02 0.00 0.00 177.57 178.63 1aou n PRO 103 N -4.43 -1.15 -3.89 1.57 -0.04 -1.26 -5.08 135.00 120.72 1aou n PRO 103 Ca -0.11 -1.70 -0.27 0.00 -0.04 0.00 0.00 63.50 61.38 1aou n PRO 103 Cb 0.60 -1.15 -0.17 0.00 -0.04 0.00 0.00 33.50 32.75 1aou n PRO 103 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1aou s SER 104 N -4.99 2.53 0.09 3.54 0.15 -1.26 -5.09 113.70 108.67 1aou s SER 104 Ca 0.62 -0.50 -0.35 0.00 0.70 0.00 0.00 55.95 56.43 1aou s SER 104 Cb -0.02 -0.86 -0.19 0.00 -1.71 0.00 0.00 66.02 63.24 1aou s SER 104 CO 0.44 -0.16 0.83 1.41 1.20 0.00 0.00 173.24 176.96 1aou n HIS 105 N 4.91 0.17 0.00 3.44 8.25 -1.26 -5.21 115.22 125.52 1aou n HIS 105 Ca -0.12 1.01 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 1aou n HIS 105 Cb 0.49 -2.04 0.00 0.00 1.12 0.00 0.00 29.99 29.56 1aou n HIS 105 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15