#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 -1.60 2.46 -5.35 -1.26 -4.93 119.36 108.68 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 -1.49 -0.04 0.00 -1.74 0.00 0.00 39.64 36.37 1aou n ILE 2 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1aou n GLN 3 N -0.78 3.76 -2.07 6.28 7.27 -1.26 -4.94 117.38 125.64 1aou n GLN 3 Ca 0.00 -2.64 -0.43 0.00 0.07 0.00 0.00 57.00 54.00 1aou n GLN 3 Cb 0.00 -2.56 -0.03 0.00 2.41 0.00 0.00 30.24 30.06 1aou n GLN 3 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aou s ALA 4 N 0.13 3.31 0.00 1.69 0.00 -1.26 -3.47 121.76 122.15 1aou s ALA 4 Ca 0.61 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1aou s ALA 4 Cb 0.22 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1aou s ALA 4 CO -0.09 -1.89 0.00 0.39 0.00 0.00 0.00 175.76 174.17 1aou n GLU 5 N 7.62 0.00 0.09 0.00 1.02 0.38 -4.96 120.64 124.79 1aou n GLU 5 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1aou n GLU 5 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 1aou n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1aou n GLU 6 N 0.00 0.00 -0.07 3.49 -0.58 -1.23 -4.82 120.64 117.43 1aou n GLU 6 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1aou n GLU 6 Cb 0.00 -0.25 0.08 0.00 -0.57 0.00 0.00 31.44 30.70 1aou n GLU 6 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1aou n TRP 7 N -3.39 0.18 -3.70 -0.32 4.27 -1.26 -4.47 117.44 108.76 1aou n TRP 7 Ca 0.00 -0.28 -0.11 0.00 -3.89 0.00 0.00 57.50 53.22 1aou n TRP 7 Cb 0.04 -0.02 -0.12 0.00 -1.36 0.00 0.00 31.31 29.85 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 -0.85 -0.48 -0.20 -2.67 6.14 -1.26 0.28 117.35 118.31 1aou s TYR 8 Ca 0.13 1.06 0.13 0.00 0.64 0.00 0.00 57.07 59.04 1aou s TYR 8 Cb 0.08 0.15 -0.21 0.00 0.42 0.00 0.00 41.96 42.39 1aou s TYR 8 CO 0.11 -0.31 0.00 1.19 0.64 0.00 0.00 175.55 177.19 1aou n PHE 9 N 4.41 0.00 0.00 4.97 3.01 -0.69 -0.47 117.46 128.69 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 0.53 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 1.96 0.69 2.91 1.37 0.00 -1.26 -4.86 105.19 106.01 1aou n GLY 10 Ca -0.33 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 3.76 -3.87 1.61 5.02 -1.26 -1.78 118.16 121.64 1aou n LYS 11 Ca 0.00 -4.57 -0.22 0.00 -2.02 0.00 0.00 58.31 51.50 1aou n LYS 11 Cb 0.00 -2.45 -0.05 0.00 -0.02 0.00 0.00 35.03 32.52 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 -2.44 3.38 0.00 -0.35 2.96 -1.26 -4.74 118.68 116.23 1aou s LEU 12 Ca 0.33 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1aou s LEU 12 Cb 0.04 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1aou s LEU 12 CO 0.04 -0.44 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 1aou n GLY 13 N -1.34 5.25 0.11 7.98 0.00 -1.26 -3.22 105.19 112.71 1aou n GLY 13 Ca -0.01 -2.04 0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.02 0.61 -0.03 1.61 1.85 -1.26 -2.68 116.66 116.74 1aou n ARG 14 Ca 0.00 0.12 -0.13 0.00 -1.00 0.00 0.00 57.85 56.84 1aou n ARG 14 Cb 0.00 -1.82 -0.01 0.00 -1.05 0.00 0.00 32.46 29.58 1aou n ARG 14 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1aou h LYS 15 N 0.00 0.72 0.04 2.89 3.11 -1.99 -2.73 116.57 118.62 1aou h LYS 15 Ca -0.02 -0.50 -0.11 0.00 -2.81 0.00 0.00 60.65 57.21 1aou h LYS 15 Cb 1.06 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1aou h LYS 15 CO 0.00 1.12 -0.56 0.22 -2.81 0.00 0.00 179.45 177.42 1aou h ASP 16 N 0.54 0.15 -0.89 4.20 1.82 -1.97 -2.66 116.42 117.60 1aou h ASP 16 Ca -0.01 -0.89 0.24 0.00 -0.39 0.00 0.00 57.03 55.98 1aou h ASP 16 Cb 1.21 -0.05 -0.15 0.00 0.68 0.00 0.00 39.33 41.01 1aou h ASP 16 CO 0.13 1.24 0.14 0.00 -1.61 0.00 0.00 179.24 179.14 1aou h ALA 17 N -0.07 1.18 -0.21 -0.78 0.00 -1.58 1.21 119.26 119.00 1aou h ALA 17 Ca -0.13 0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1aou h ALA 17 Cb 1.29 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1aou h ALA 17 CO 0.00 -0.51 -0.56 1.05 0.00 0.00 0.00 179.25 179.24 1aou h GLU 18 N 0.12 0.65 0.00 0.00 -0.00 -1.58 -2.45 114.58 111.32 1aou h GLU 18 Ca 0.55 -0.41 0.00 0.00 -0.00 0.00 0.00 59.36 59.49 1aou h GLU 18 Cb 1.11 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1aou h GLU 18 CO -0.74 1.03 0.00 -2.13 -0.00 0.00 0.00 179.01 177.17 1aou n ARG 19 N -3.97 0.00 -0.34 1.06 0.00 0.38 -2.25 116.66 111.55 1aou n ARG 19 Ca -0.04 0.21 0.10 0.00 -0.00 0.00 0.00 57.85 58.12 1aou n ARG 19 Cb 0.62 -1.06 0.21 0.00 0.00 0.00 0.00 32.46 32.22 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 0.01 0.00 -0.14 4.15 -0.61 -0.78 115.11 117.74 1aou h GLN 20 Ca 0.00 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1aou h GLN 20 Cb 0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1aou h GLN 20 CO 0.00 0.01 -0.14 -0.07 -1.93 0.00 0.00 178.83 176.70 1aou h LEU 21 N 0.01 -0.43 -1.67 -2.39 4.07 -1.50 0.27 115.31 113.67 1aou h LEU 21 Ca 0.52 0.05 0.19 0.00 0.08 0.00 0.00 57.88 58.72 1aou h LEU 21 Cb 0.95 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 1aou h LEU 21 CO -0.94 -0.14 0.72 -0.07 -1.08 0.00 0.00 178.44 176.94 1aou h LEU 22 N -0.18 0.00 -9.84 1.67 3.38 -0.73 -3.32 115.31 106.29 1aou h LEU 22 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1aou h LEU 22 Cb 0.19 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.00 1aou h LEU 22 CO -0.09 0.00 0.67 -0.44 0.09 0.00 0.00 178.44 178.67 1aou s SER 23 N -4.62 6.74 -0.41 -0.43 0.01 0.95 -4.83 113.70 111.11 1aou s SER 23 Ca -0.04 2.68 -0.43 0.00 1.31 0.00 0.00 55.95 59.47 1aou s SER 23 Cb 0.15 -2.64 -0.17 0.00 0.21 0.00 0.00 66.02 63.56 1aou s SER 23 CO 0.52 -0.58 1.79 2.22 0.41 0.00 0.00 173.24 177.60 1aou n PHE 24 N 1.23 1.77 0.00 2.43 1.16 -1.26 -3.09 117.46 119.70 1aou n PHE 24 Ca 0.02 0.79 0.00 0.00 -1.87 0.00 0.00 57.45 56.39 1aou n PHE 24 Cb 0.41 -2.35 0.00 0.00 -1.61 0.00 0.00 39.48 35.93 1aou n PHE 24 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1aou n GLY 25 N 4.83 0.52 2.61 4.97 0.00 -1.26 -5.06 105.19 111.81 1aou n GLY 25 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.45 0.00 1.61 -0.87 -1.18 -4.91 114.94 110.05 1aou s ASN 26 Ca 0.00 -2.24 0.00 0.00 -1.57 0.00 0.00 52.86 49.05 1aou s ASN 26 Cb 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 41.25 41.79 1aou s ASN 26 CO 0.00 -0.16 0.00 -0.81 -2.57 0.00 0.00 177.10 173.56 1aou n PRO 27 N 3.27 1.12 -2.25 -0.60 -0.04 -1.26 -4.49 135.00 130.76 1aou n PRO 27 Ca 0.21 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 1aou n PRO 27 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 1aou n PRO 27 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1aou s ARG 28 N 0.00 4.36 0.00 0.54 3.52 -1.24 -2.83 118.95 123.30 1aou s ARG 28 Ca 0.00 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.63 1aou s ARG 28 Cb 0.00 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1aou s ARG 28 CO 0.00 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 1aou n GLY 29 N 0.87 0.63 3.74 8.12 0.00 -1.20 -5.02 105.19 112.33 1aou n GLY 29 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.48 5.36 -0.29 2.61 2.01 -1.13 -3.86 115.64 117.86 1aou s THR 30 Ca 0.00 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1aou s THR 30 Cb 0.00 -3.55 0.08 0.00 0.01 0.00 0.00 72.50 69.04 1aou s THR 30 CO 0.00 0.43 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.99 1aou s PHE 31 N 0.27 3.09 0.59 4.92 0.40 -1.26 -1.00 117.98 124.99 1aou s PHE 31 Ca 0.13 -2.40 -0.09 0.00 -0.60 0.00 0.00 56.93 53.97 1aou s PHE 31 Cb -0.12 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1aou s PHE 31 CO 0.02 -0.88 0.96 -1.17 0.70 0.00 0.00 175.22 174.84 1aou s LEU 32 N 1.15 3.30 0.32 -0.37 0.20 0.27 -4.07 118.68 119.48 1aou s LEU 32 Ca 0.02 1.18 0.04 0.00 0.69 0.00 0.00 54.13 56.07 1aou s LEU 32 Cb -0.19 -4.16 -0.06 0.00 -0.43 0.00 0.00 46.19 41.35 1aou s LEU 32 CO -0.09 -0.86 0.04 -0.63 -0.29 0.00 0.00 176.35 174.52 1aou s ILE 33 N -3.06 1.29 0.00 6.68 1.01 0.79 0.21 121.20 128.12 1aou s ILE 33 Ca 0.53 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 59.17 1aou s ILE 33 Cb -0.11 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1aou s ILE 33 CO 0.50 -0.05 0.00 -2.11 0.00 0.00 0.00 174.94 173.29 1aou n ARG 34 N -0.69 0.00 -2.32 2.79 1.85 -0.90 -1.70 116.66 115.69 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 -1.83 -0.01 0.00 0.00 177.63 175.79 1aou s GLU 35 N -2.00 4.36 -0.12 2.89 -1.05 -0.73 0.10 118.70 122.16 1aou s GLU 35 Ca 0.00 1.88 -0.28 0.00 -0.15 0.00 0.00 54.97 56.41 1aou s GLU 35 Cb 0.00 -3.39 -0.01 0.00 -0.44 0.00 0.00 34.13 30.29 1aou s GLU 35 CO 0.00 -0.39 0.96 -1.12 0.95 0.00 0.00 175.26 175.66 1aou s SER 36 N 1.28 7.17 -0.05 0.83 0.01 -0.23 -4.18 113.70 118.54 1aou s SER 36 Ca 0.61 1.44 0.09 0.00 1.31 0.00 0.00 55.95 59.39 1aou s SER 36 Cb -0.31 -2.53 0.33 0.00 0.21 0.00 0.00 66.02 63.71 1aou s SER 36 CO 0.28 -0.44 1.17 -0.62 0.41 0.00 0.00 173.24 174.04 1aou n GLU 37 N 5.07 2.19 0.06 12.44 1.02 -1.26 -3.05 120.64 137.10 1aou n GLU 37 Ca 0.08 -1.29 -0.20 0.00 -0.02 0.00 0.00 57.16 55.73 1aou n GLU 37 Cb 0.49 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.88 1.40 -4.45 2.62 1.03 -1.96 -3.47 112.91 109.96 1aou h THR 38 Ca 0.00 -2.40 -0.13 0.00 -0.01 0.00 0.00 66.41 63.87 1aou h THR 38 Cb 0.75 2.88 -0.01 0.00 -1.07 0.00 0.00 68.15 70.71 1aou h THR 38 CO 0.09 0.70 -0.06 1.07 -0.01 0.00 0.00 175.52 177.32 1aou n THR 39 N -4.02 0.00 -0.36 0.00 5.66 -1.25 -4.95 114.28 109.35 1aou n THR 39 Ca -0.13 -0.49 0.29 0.00 -3.05 0.00 0.00 64.05 60.67 1aou n THR 39 Cb 0.85 -0.47 0.55 0.00 -1.55 0.00 0.00 70.33 69.72 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 0.18 0.00 1.09 1.79 -1.90 -3.39 116.57 114.34 1aou h LYS 40 Ca -0.08 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1aou h LYS 40 Cb 0.29 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1aou h LYS 40 CO 0.12 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 1aou n GLY 41 N -1.37 -1.75 0.00 3.86 0.00 -1.26 -5.02 105.19 99.65 1aou n GLY 41 Ca 0.34 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.08 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 -4.09 4.61 0.00 -1.17 -4.82 120.51 115.04 1aou n ALA 42 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 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 0.66 0.00 0.00 0.00 177.50 178.16 1aou n TYR 43 N -0.29 -0.02 -3.82 0.00 4.01 -0.65 -1.07 117.16 115.32 1aou n TYR 43 Ca 0.00 -0.79 -0.07 0.00 -0.16 0.00 0.00 57.90 56.88 1aou n TYR 43 Cb 0.00 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 38.89 1aou n TYR 43 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1aou s SER 44 N -1.93 -0.28 -0.41 7.72 0.15 0.29 -1.09 113.70 118.15 1aou s SER 44 Ca 0.02 -0.55 0.04 0.00 0.70 0.00 0.00 55.95 56.16 1aou s SER 44 Cb -0.00 0.71 0.17 0.00 -1.71 0.00 0.00 66.02 65.18 1aou s SER 44 CO 0.02 -1.30 0.44 -0.22 1.20 0.00 0.00 173.24 173.38 1aou s LEU 45 N -2.91 -0.03 0.92 3.45 0.20 0.12 -2.11 118.68 118.31 1aou s LEU 45 Ca 0.10 -1.93 -0.12 0.00 0.69 0.00 0.00 54.13 52.87 1aou s LEU 45 Cb -0.05 0.63 0.14 0.00 -0.43 0.00 0.00 46.19 46.48 1aou s LEU 45 CO 0.05 -0.19 1.10 -0.55 -0.29 0.00 0.00 176.35 176.47 1aou s SER 46 N 1.02 3.39 -0.18 3.68 0.15 0.57 -0.87 113.70 121.46 1aou s SER 46 Ca 0.23 1.23 -0.07 0.00 0.70 0.00 0.00 55.95 58.04 1aou s SER 46 Cb -0.08 -1.89 0.08 0.00 -1.71 0.00 0.00 66.02 62.42 1aou s SER 46 CO -0.07 -2.66 0.39 0.27 1.20 0.00 0.00 173.24 172.38 1aou s ILE 47 N -3.07 -0.50 -0.28 6.45 -4.36 0.21 0.97 121.20 120.62 1aou s ILE 47 Ca 0.64 0.17 -0.29 0.00 -0.26 0.00 0.00 60.65 60.91 1aou s ILE 47 Cb -0.17 -0.62 0.01 0.00 1.25 0.00 0.00 42.46 42.93 1aou s ILE 47 CO 0.56 0.07 1.10 -0.60 0.24 0.00 0.00 174.94 176.31 1aou s ARG 48 N 2.36 4.12 -0.22 0.37 3.00 -0.17 -1.09 118.95 127.32 1aou s ARG 48 Ca -0.03 1.22 -0.02 0.00 -1.00 0.00 0.00 55.73 55.90 1aou s ARG 48 Cb -0.11 -3.73 0.07 0.00 0.00 0.00 0.00 34.95 31.18 1aou s ARG 48 CO -0.12 -0.83 0.03 0.34 0.00 0.00 0.00 175.30 174.72 1aou s ASP 49 N 1.67 3.22 0.29 -2.12 2.15 -0.58 -3.21 116.67 118.10 1aou s ASP 49 Ca 0.47 -0.99 0.07 0.00 0.43 0.00 0.00 52.55 52.53 1aou s ASP 49 Cb -0.14 -0.72 -0.03 0.00 -0.30 0.00 0.00 42.92 41.73 1aou s ASP 49 CO 0.13 -0.31 0.27 0.86 -0.17 0.00 0.00 175.17 175.95 1aou s TRP 50 N 1.76 3.04 0.06 -5.34 -0.00 -1.26 -1.26 118.94 115.93 1aou s TRP 50 Ca -0.00 -0.20 -0.05 0.00 -0.00 0.00 0.00 56.10 55.84 1aou s TRP 50 Cb -0.17 -1.63 -0.02 0.00 -0.00 0.00 0.00 33.47 31.65 1aou s TRP 50 CO -0.10 0.32 0.10 0.34 -0.00 0.00 0.00 176.95 177.61 1aou s ASP 51 N -3.94 0.25 -0.12 5.86 2.15 -0.61 -4.93 116.67 115.31 1aou s ASP 51 Ca 0.37 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1aou s ASP 51 Cb -0.07 0.26 0.11 0.00 -0.30 0.00 0.00 42.92 42.92 1aou s ASP 51 CO 0.26 -0.62 1.73 -0.90 -0.17 0.00 0.00 175.17 175.47 1aou n ASP 52 N 0.25 4.92 -1.97 -0.34 5.75 -1.26 -3.25 116.55 120.64 1aou n ASP 52 Ca -0.16 -2.57 -0.03 0.00 -0.01 0.00 0.00 54.79 52.02 1aou n ASP 52 Cb 0.61 -0.92 0.05 0.00 -1.03 0.00 0.00 41.12 39.83 1aou n ASP 52 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 1aou n MET 53 N 0.72 0.79 0.00 0.11 0.00 -1.26 -4.97 117.12 112.51 1aou n MET 53 Ca 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 57.70 56.80 1aou n MET 53 Cb 0.60 0.43 0.00 0.00 0.00 0.00 0.00 33.22 34.25 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 -0.90 0.00 0.00 3.17 2.85 -1.25 -5.15 118.16 116.88 1aou n LYS 54 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1aou n LYS 54 Cb 0.78 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 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 0.00 -0.14 3.92 2.58 0.00 -1.20 -5.00 105.19 105.35 1aou n GLY 55 Ca 0.00 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 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 5.81 0.09 1.61 1.47 -1.26 -1.58 116.67 118.80 1aou s ASP 56 Ca 0.00 0.70 -0.02 0.00 1.18 0.00 0.00 52.55 54.41 1aou s ASP 56 Cb 0.00 -1.82 0.01 0.00 -0.34 0.00 0.00 42.92 40.77 1aou s ASP 56 CO 0.00 -0.88 0.15 1.41 0.68 0.00 0.00 175.17 176.53 1aou n HIS 57 N -2.42 -1.00 -3.44 2.11 8.25 -0.39 -4.88 115.22 113.45 1aou n HIS 57 Ca 0.03 -0.48 0.01 0.00 -0.26 0.00 0.00 57.72 57.02 1aou n HIS 57 Cb 0.57 0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.82 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 -2.67 -0.99 -0.08 1.59 1.01 -1.26 -1.52 120.40 116.49 1aou s VAL 58 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1aou s VAL 58 Cb -0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1aou s VAL 58 CO 0.04 0.00 0.11 -0.75 0.00 0.00 0.00 175.10 174.49 1aou s LYS 59 N 2.88 3.28 0.12 2.72 2.47 -0.25 -4.82 119.74 126.13 1aou s LYS 59 Ca 0.05 -0.27 0.10 0.00 -1.56 0.00 0.00 55.97 54.29 1aou s LYS 59 Cb -0.13 -3.04 -0.04 0.00 -1.46 0.00 0.00 37.83 33.16 1aou s LYS 59 CO -0.20 0.73 -0.24 -1.01 0.16 0.00 0.00 175.35 174.79 1aou s HIS 60 N -1.06 2.38 -0.30 4.03 3.76 -1.26 0.63 115.29 123.47 1aou s HIS 60 Ca 0.17 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1aou s HIS 60 Cb -0.12 -1.29 0.08 0.00 1.11 0.00 0.00 32.58 32.36 1aou s HIS 60 CO 0.07 0.34 -0.03 0.71 -0.85 0.00 0.00 174.74 174.98 1aou s TYR 61 N -1.06 3.39 -0.04 1.40 2.02 -0.04 -4.92 117.35 118.10 1aou s TYR 61 Ca 0.15 -2.58 -0.33 0.00 -0.37 0.00 0.00 57.07 53.94 1aou s TYR 61 Cb -0.10 -2.35 -0.11 0.00 -0.40 0.00 0.00 41.96 39.00 1aou s TYR 61 CO 0.07 -0.90 1.92 1.17 -1.57 0.00 0.00 175.55 176.23 1aou n LYS 62 N 4.38 2.46 -3.16 -0.62 4.81 -1.26 -0.70 118.16 124.07 1aou n LYS 62 Ca -0.05 0.90 -0.39 0.00 -0.87 0.00 0.00 58.31 57.90 1aou n LYS 62 Cb 0.42 -2.79 -0.06 0.00 0.02 0.00 0.00 35.03 32.62 1aou n LYS 62 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1aou s ILE 63 N 4.20 4.80 -0.00 3.15 1.01 -0.25 -4.74 121.20 129.37 1aou s ILE 63 Ca 0.91 1.35 0.03 0.00 0.00 0.00 0.00 60.65 62.95 1aou s ILE 63 Cb -0.59 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 37.89 1aou s ILE 63 CO 0.48 0.44 -0.10 -0.13 0.00 0.00 0.00 174.94 175.62 1aou s ARG 64 N -0.40 0.83 -0.00 2.79 1.81 -1.04 -1.64 118.95 121.30 1aou s ARG 64 Ca 0.32 -0.41 0.05 0.00 -1.72 0.00 0.00 55.73 53.97 1aou s ARG 64 Cb -0.19 -0.80 -0.03 0.00 -0.45 0.00 0.00 34.95 33.48 1aou s ARG 64 CO 0.19 0.22 -0.14 0.21 -0.68 0.00 0.00 175.30 175.11 1aou s LYS 65 N -0.35 2.36 0.38 3.54 2.20 -1.26 -1.83 119.74 124.78 1aou s LYS 65 Ca 0.03 -0.80 -0.24 0.00 -0.36 0.00 0.00 55.97 54.60 1aou s LYS 65 Cb -0.04 -2.34 -0.10 0.00 -1.51 0.00 0.00 37.83 33.83 1aou s LYS 65 CO -0.00 0.59 0.98 -0.51 -0.36 0.00 0.00 175.35 176.05 1aou s LEU 66 N -1.17 4.16 0.44 5.43 2.01 -0.53 -4.86 118.68 124.16 1aou s LEU 66 Ca 0.14 1.86 0.30 0.00 0.01 0.00 0.00 54.13 56.44 1aou s LEU 66 Cb -0.11 -4.22 1.15 0.00 0.01 0.00 0.00 46.19 43.03 1aou s LEU 66 CO 0.04 -0.29 1.87 0.44 1.01 0.00 0.00 176.35 179.41 1aou h ASP 67 N 2.59 0.00 0.63 2.29 5.19 -1.99 -0.86 116.42 124.28 1aou h ASP 67 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1aou h ASP 67 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1aou h ASP 67 CO 0.63 0.00 -0.21 0.59 -3.12 0.00 0.00 179.24 177.13 1aou n ASN 68 N -2.80 0.33 0.00 6.45 3.02 -1.26 -4.94 115.26 116.06 1aou n ASN 68 Ca 0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1aou n ASN 68 Cb 0.31 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.42 3.01 7.41 0.00 -0.33 -5.12 105.19 112.01 1aou n GLY 69 Ca 0.09 -0.68 -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 -1.35 -0.11 -0.02 0.00 -1.19 -4.71 107.32 99.94 1aou s GLY 70 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.70 1aou s GLY 70 CO 0.00 3.81 1.26 -0.19 0.00 0.00 0.00 173.10 177.97 1aou s TYR 71 N 1.61 2.97 -0.12 1.90 2.02 -0.06 -1.46 117.35 124.20 1aou s TYR 71 Ca 0.19 1.06 -0.06 0.00 -0.37 0.00 0.00 57.07 57.89 1aou s TYR 71 Cb -0.01 -3.49 0.05 0.00 -0.40 0.00 0.00 41.96 38.11 1aou s TYR 71 CO -0.08 -1.65 0.28 1.52 -1.57 0.00 0.00 175.55 174.06 1aou s TYR 72 N 2.91 -0.39 0.09 2.71 -0.85 -0.76 0.46 117.35 121.52 1aou s TYR 72 Ca 0.56 0.90 0.09 0.00 -0.52 0.00 0.00 57.07 58.11 1aou s TYR 72 Cb -0.24 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 1aou s TYR 72 CO 0.19 -0.26 1.38 0.82 -1.52 0.00 0.00 175.55 176.16 1aou h ILE 73 N 5.76 1.49 -4.15 -3.49 2.04 -1.83 -2.76 117.51 114.57 1aou h ILE 73 Ca -0.39 -2.94 -0.47 0.00 1.00 0.00 0.00 64.86 62.05 1aou h ILE 73 Cb 1.16 2.63 -0.28 0.00 -0.74 0.00 0.00 36.82 39.60 1aou h ILE 73 CO 0.36 0.81 -0.81 0.28 0.00 0.00 0.00 178.15 178.79 1aou s THR 74 N -2.92 1.13 -1.71 -0.27 -1.32 -1.26 -4.71 115.64 104.57 1aou s THR 74 Ca 0.01 -0.74 0.08 0.00 -1.21 0.00 0.00 61.69 59.84 1aou s THR 74 Cb 0.10 -0.97 0.19 0.00 -1.51 0.00 0.00 72.50 70.32 1aou s THR 74 CO 0.79 0.22 1.05 0.35 -2.21 0.00 0.00 174.62 174.82 1aou n THR 75 N 2.45 0.42 0.77 5.08 -2.24 -1.26 -1.78 114.28 117.72 1aou n THR 75 Ca -0.15 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 1aou n THR 75 Cb 0.55 -0.97 0.48 0.00 -2.10 0.00 0.00 70.33 68.29 1aou n THR 75 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1aou n ARG 76 N -1.14 0.16 -3.65 -0.78 0.00 -1.26 -4.77 116.66 105.22 1aou n ARG 76 Ca 0.05 0.13 -0.05 0.00 -0.00 0.00 0.00 57.85 57.98 1aou n ARG 76 Cb 0.05 -1.69 -0.07 0.00 0.00 0.00 0.00 32.46 30.75 1aou n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1aou s ALA 77 N -3.06 -1.74 0.42 5.13 0.00 -0.73 -5.15 121.76 116.62 1aou s ALA 77 Ca 0.12 2.16 0.04 0.00 0.00 0.00 0.00 51.96 54.27 1aou s ALA 77 Cb 0.15 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1aou s ALA 77 CO 0.57 -0.64 0.04 1.14 0.00 0.00 0.00 175.76 176.87 1aou s GLN 78 N 2.25 1.96 0.00 0.00 -2.07 -1.26 -4.21 119.66 116.33 1aou s GLN 78 Ca -0.07 -2.17 0.00 0.00 -1.82 0.00 0.00 55.36 51.30 1aou s GLN 78 Cb -0.09 -1.27 0.00 0.00 -1.09 0.00 0.00 33.01 30.56 1aou s GLN 78 CO -0.18 -0.24 0.00 1.19 -1.32 0.00 0.00 175.29 174.74 1aou n PHE 79 N -0.99 -0.14 -0.08 9.60 3.01 0.17 -4.76 117.46 124.27 1aou n PHE 79 Ca -0.09 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.25 1aou n PHE 79 Cb 0.67 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.99 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 -4.27 -1.08 0.28 -1.26 -0.89 120.64 114.10 1aou n GLU 80 Ca 0.00 0.10 -0.18 0.00 -0.16 0.00 0.00 57.16 56.92 1aou n GLU 80 Cb 0.00 -1.58 -0.08 0.00 1.43 0.00 0.00 31.44 31.20 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 -2.52 0.01 0.08 3.84 -1.32 -1.26 -4.64 115.64 109.82 1aou s THR 81 Ca -0.16 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.27 1aou s THR 81 Cb 0.07 -2.50 -0.28 0.00 -1.51 0.00 0.00 72.50 68.28 1aou s THR 81 CO 0.77 0.00 1.14 -0.07 -2.21 0.00 0.00 174.62 174.25 1aou h LEU 82 N 2.22 0.45 -0.60 9.08 3.38 -1.95 -2.67 115.31 125.21 1aou h LEU 82 Ca -0.27 -0.48 -0.15 0.00 0.09 0.00 0.00 57.88 57.07 1aou h LEU 82 Cb 1.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1aou h LEU 82 CO 0.39 1.37 -0.61 -0.61 0.09 0.00 0.00 178.44 179.07 1aou h GLN 83 N 0.08 0.31 -0.22 1.13 4.15 -1.96 -1.11 115.11 117.49 1aou h GLN 83 Ca -0.14 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 58.96 1aou h GLN 83 Cb 1.97 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.68 1aou h GLN 83 CO 0.21 0.82 -0.33 1.96 -1.93 0.00 0.00 178.83 179.56 1aou h GLN 84 N 0.23 0.47 0.02 1.69 7.50 -1.95 -1.92 115.11 121.14 1aou h GLN 84 Ca -0.01 -0.21 -0.23 0.00 0.50 0.00 0.00 58.65 58.71 1aou h GLN 84 Cb 1.13 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.64 1aou h GLN 84 CO 0.10 0.74 -0.97 1.37 -1.50 0.00 0.00 178.83 178.58 1aou h LEU 85 N 0.40 0.48 -2.20 1.46 8.10 -1.27 -2.28 115.31 120.00 1aou h LEU 85 Ca 0.05 -0.40 -0.01 0.00 0.11 0.00 0.00 57.88 57.63 1aou h LEU 85 Cb 0.78 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1aou h LEU 85 CO 0.06 1.21 -0.04 -0.37 -4.11 0.00 0.00 178.44 175.19 1aou h VAL 86 N 0.19 0.22 -0.06 0.15 -1.51 -0.93 0.57 116.25 114.88 1aou h VAL 86 Ca -0.08 -0.32 -0.11 0.00 -1.23 0.00 0.00 66.70 64.96 1aou h VAL 86 Cb 1.61 1.25 0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1aou h VAL 86 CO 0.16 0.04 -0.39 -0.61 -1.23 0.00 0.00 177.57 175.54 1aou h GLN 87 N 0.00 0.38 -0.13 5.19 4.15 -0.81 0.10 115.11 123.98 1aou h GLN 87 Ca -0.00 -0.32 -0.18 0.00 0.77 0.00 0.00 58.65 58.92 1aou h GLN 87 Cb 0.25 0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.02 1aou h GLN 87 CO 0.01 0.97 -0.62 1.25 -1.93 0.00 0.00 178.83 178.51 1aou h HIS 88 N -0.11 0.88 0.00 3.99 2.76 -0.90 -2.83 115.15 118.94 1aou h HIS 88 Ca -0.03 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1aou h HIS 88 Cb 1.06 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1aou h HIS 88 CO 0.13 1.19 0.00 1.88 -1.30 0.00 0.00 177.93 179.83 1aou h TYR 89 N 0.32 0.00 -0.22 5.26 -1.99 -0.99 -1.23 116.97 118.12 1aou h TYR 89 Ca -0.04 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 1aou h TYR 89 Cb 1.25 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.98 1aou h TYR 89 CO 0.10 0.00 -0.05 1.03 -0.00 0.00 0.00 178.16 179.24 1aou h SER 90 N 0.00 0.43 0.11 3.88 0.87 -0.70 -2.86 113.55 115.28 1aou h SER 90 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1aou h SER 90 Cb 0.52 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1aou h SER 90 CO 0.00 0.69 -0.25 -0.62 -0.53 0.00 0.00 176.83 176.12 1aou n GLU 91 N -4.60 1.19 -3.79 2.24 1.02 -1.15 -4.79 120.64 110.77 1aou n GLU 91 Ca -0.04 -0.82 -0.09 0.00 -0.02 0.00 0.00 57.16 56.18 1aou n GLU 91 Cb 0.29 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.37 1.00 -0.14 3.49 0.52 -0.48 -5.07 118.95 115.91 1aou s ARG 92 Ca 0.25 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.28 1aou s ARG 92 Cb 0.19 0.40 -0.26 0.00 0.52 0.00 0.00 34.95 35.81 1aou s ARG 92 CO 0.49 -0.36 0.76 0.00 0.02 0.00 0.00 175.30 176.20 1aou h ALA 93 N 2.55 0.01 0.00 2.13 0.00 -1.83 -3.33 119.26 118.78 1aou h ALA 93 Ca -0.33 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1aou h ALA 93 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1aou h ALA 93 CO 0.51 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1aou n ALA 94 N -2.63 0.00 0.00 0.00 0.00 -1.26 -4.12 120.51 112.49 1aou n ALA 94 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1aou n ALA 94 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.11 3.88 0.00 0.00 -1.26 -4.87 105.19 102.05 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 2.41 0.28 0.99 2.34 -1.26 -4.91 118.68 118.53 1aou s LEU 96 Ca 0.00 0.78 -0.06 0.00 0.06 0.00 0.00 54.13 54.91 1aou s LEU 96 Cb 0.00 -3.21 0.49 0.00 -0.56 0.00 0.00 46.19 42.91 1aou s LEU 96 CO 0.00 -2.09 1.52 -0.24 -1.06 0.00 0.00 176.35 174.47 1aou n SER 97 N -3.44 -0.32 -3.16 1.48 2.88 -1.26 -4.72 113.62 105.08 1aou n SER 97 Ca 0.08 1.67 -0.12 0.00 -1.33 0.00 0.00 58.87 59.17 1aou n SER 97 Cb 0.61 -0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 1aou n SER 97 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1aou s SER 98 N -5.22 0.50 0.64 -3.46 0.15 -1.26 -5.06 113.70 100.00 1aou s SER 98 Ca -0.14 -1.31 -0.13 0.00 0.70 0.00 0.00 55.95 55.06 1aou s SER 98 Cb 0.27 0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 65.30 1aou s SER 98 CO 0.76 -1.45 1.05 0.00 1.20 0.00 0.00 173.24 174.80 1aou s ARG 99 N -2.82 3.16 0.06 5.44 1.70 -1.26 -4.70 118.95 120.53 1aou s ARG 99 Ca 0.24 1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 56.54 1aou s ARG 99 Cb -0.02 -2.02 0.01 0.00 -0.57 0.00 0.00 34.95 32.35 1aou s ARG 99 CO 0.16 -0.93 0.03 1.47 -1.08 0.00 0.00 175.30 174.95 1aou n LEU 100 N -2.59 0.00 -4.42 -1.89 -0.00 -1.09 -4.50 117.00 102.51 1aou n LEU 100 Ca 0.08 -0.03 -0.57 0.00 -0.00 0.00 0.00 56.01 55.50 1aou n LEU 100 Cb 0.53 -0.05 -0.09 0.00 -0.00 0.00 0.00 43.42 43.81 1aou n LEU 100 CO 0.52 -1.34 1.67 1.33 -0.00 0.00 0.00 177.39 179.57 1aou n VAL 101 N -2.66 0.11 -0.02 1.47 0.24 -1.26 -4.56 118.33 111.65 1aou n VAL 101 Ca 0.00 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 62.03 1aou n VAL 101 Cb 0.02 -1.04 -0.13 0.00 -1.47 0.00 0.00 33.84 31.22 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 6.69 1.64 -0.93 3.34 2.07 -1.79 -3.47 116.25 123.80 1aou h VAL 102 Ca -0.23 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1aou h VAL 102 Cb 1.37 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 1aou h VAL 102 CO 1.04 0.62 0.00 -0.81 0.02 0.00 0.00 177.57 178.44 1aou n PRO 103 N -4.43 1.07 -2.96 1.57 -0.04 -1.26 -5.08 135.00 123.88 1aou n PRO 103 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 1aou n PRO 103 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1aou n PRO 103 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1aou n SER 104 N 0.00 -2.26 -3.61 3.54 3.41 -1.26 -5.08 113.62 108.36 1aou n SER 104 Ca 0.00 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1aou n SER 104 Cb 0.00 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1aou n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aou n HIS 105 N 2.50 -0.09 0.00 7.33 1.44 -1.26 -5.16 115.22 119.97 1aou n HIS 105 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1aou n HIS 105 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 1aou n HIS 105 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70