#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 2.01 0.00 2.46 0.13 -1.26 -4.56 119.36 118.14 1aou n ILE 2 Ca 0.00 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.15 1aou n ILE 2 Cb 0.00 -0.70 0.00 0.00 -0.84 0.00 0.00 39.64 38.10 1aou n ILE 2 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 1aou n GLN 3 N 0.42 0.00 -0.50 9.51 -0.06 -1.26 -4.98 117.38 120.51 1aou n GLN 3 Ca 0.11 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.10 1aou n GLN 3 Cb 0.40 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.56 1aou n GLN 3 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aou n ALA 4 N -3.00 0.40 0.00 1.69 0.00 -1.26 -5.07 120.51 113.27 1aou n ALA 4 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1aou n ALA 4 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -3.17 -0.83 0.00 0.28 0.33 -4.78 120.64 112.46 1aou n GLU 5 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1aou n GLU 5 Cb 0.32 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.19 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 -0.58 0.00 0.00 3.44 -0.58 -1.26 -3.65 120.64 118.01 1aou n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1aou n GLU 6 Cb 0.00 -2.99 0.00 0.00 -0.57 0.00 0.00 31.44 27.88 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 -2.00 0.00 -4.05 -0.32 4.27 -1.26 -3.67 117.44 110.40 1aou n TRP 7 Ca 0.00 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.44 1aou n TRP 7 Cb 0.00 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.79 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 0.00 0.46 -0.24 -2.67 6.14 -1.24 0.27 117.35 120.07 1aou s TYR 8 Ca 0.00 -0.08 -0.08 0.00 0.64 0.00 0.00 57.07 57.55 1aou s TYR 8 Cb 0.00 -0.45 -0.16 0.00 0.42 0.00 0.00 41.96 41.77 1aou s TYR 8 CO 0.00 -0.12 -0.15 1.19 0.64 0.00 0.00 175.55 177.11 1aou n PHE 9 N 3.82 0.29 0.00 4.97 3.01 -0.74 -0.52 117.46 128.29 1aou n PHE 9 Ca -0.23 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1aou n PHE 9 Cb 0.52 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 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 1.72 0.21 2.77 1.37 0.00 -1.25 -4.81 105.19 105.20 1aou n GLY 10 Ca -0.46 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 3.10 -2.15 1.61 5.02 -1.26 -1.40 118.16 123.08 1aou n LYS 11 Ca 0.00 -4.59 -0.05 0.00 -2.02 0.00 0.00 58.31 51.64 1aou n LYS 11 Cb 0.00 -2.37 -0.00 0.00 -0.02 0.00 0.00 35.03 32.64 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 1.36 0.00 -4.90 -0.35 -0.00 -1.26 -4.83 117.00 107.01 1aou n LEU 12 Ca 0.27 -0.57 -0.31 0.00 -0.00 0.00 0.00 56.01 55.40 1aou n LEU 12 Cb 0.37 0.02 -0.04 0.00 -0.00 0.00 0.00 43.42 43.77 1aou n LEU 12 CO 0.48 -0.23 0.02 -0.83 -0.00 0.00 0.00 177.39 176.83 1aou s GLY 13 N -1.85 2.15 0.66 1.47 0.00 -1.26 -4.35 107.32 104.14 1aou s GLY 13 Ca 0.04 -0.62 0.42 0.00 0.00 0.00 0.00 44.72 44.56 1aou s GLY 13 CO 0.02 -0.55 2.34 0.07 0.00 0.00 0.00 173.10 174.98 1aou h ARG 14 N 2.68 0.00 0.00 2.90 -0.00 -1.97 0.19 114.38 118.18 1aou h ARG 14 Ca -0.46 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.33 1aou h ARG 14 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.11 1aou h ARG 14 CO 0.72 0.00 -0.89 0.87 -0.00 0.00 0.00 179.97 180.67 1aou h LYS 15 N 0.00 0.00 0.00 0.08 1.57 -2.00 -2.81 116.57 113.41 1aou h LYS 15 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1aou h LYS 15 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1aou h LYS 15 CO -0.00 0.89 -0.54 0.22 -0.57 0.00 0.00 179.45 179.45 1aou h ASP 16 N 0.00 0.00 -0.00 0.86 3.58 -1.01 -2.37 116.42 117.47 1aou h ASP 16 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1aou h ASP 16 Cb 1.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.67 1aou h ASP 16 CO 0.12 0.54 -0.00 0.00 -2.88 0.00 0.00 179.24 177.01 1aou h ALA 17 N 1.46 0.00 0.00 -0.78 0.00 -1.35 0.16 119.26 118.75 1aou h ALA 17 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1aou h ALA 17 Cb 1.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1aou h ALA 17 CO 0.07 -0.17 -0.08 1.05 0.00 0.00 0.00 179.25 180.12 1aou h GLU 18 N -0.65 0.00 0.00 0.00 -0.00 -1.51 -0.84 114.58 111.58 1aou h GLU 18 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.22 1aou h GLU 18 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.38 1aou h GLU 18 CO 0.00 0.08 -0.88 0.00 -0.00 0.00 0.00 179.01 178.21 1aou h ARG 19 N 0.00 0.00 0.00 1.06 3.08 -1.36 -1.65 114.38 115.52 1aou h ARG 19 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1aou h ARG 19 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1aou h ARG 19 CO 0.01 0.46 -0.41 1.96 -1.07 0.00 0.00 179.97 180.92 1aou h GLN 20 N 0.00 0.00 0.00 0.04 4.20 0.57 -2.42 115.11 117.51 1aou h GLN 20 Ca -0.06 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1aou h GLN 20 Cb 1.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 1aou h GLN 20 CO 0.06 0.41 -1.12 1.28 -0.67 0.00 0.00 178.83 178.80 1aou n LEU 21 N -3.29 1.87 -0.26 1.46 4.32 -0.45 -3.95 117.00 116.71 1aou n LEU 21 Ca 0.01 0.47 0.04 0.00 -0.02 0.00 0.00 56.01 56.52 1aou n LEU 21 Cb 0.64 -0.86 0.17 0.00 -1.62 0.00 0.00 43.42 41.76 1aou n LEU 21 CO 0.38 -0.08 1.06 -0.07 -1.22 0.00 0.00 177.39 177.46 1aou h LEU 22 N -1.00 0.42 0.00 2.23 3.38 -1.44 -2.98 115.31 115.92 1aou h LEU 22 Ca -0.20 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1aou h LEU 22 Cb 0.98 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1aou h LEU 22 CO -0.12 0.20 0.00 -0.24 0.09 0.00 0.00 178.44 178.38 1aou n SER 23 N -4.91 0.00 0.00 -0.43 2.88 -0.91 -4.93 113.62 105.32 1aou n SER 23 Ca 0.14 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1aou n SER 23 Cb 0.36 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1aou n SER 23 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1aou n PHE 24 N -1.75 0.00 0.00 0.66 1.16 -1.13 -5.05 117.46 111.35 1aou n PHE 24 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1aou n PHE 24 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 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 -0.17 0.48 3.60 4.97 0.00 -1.26 -4.86 105.19 107.95 1aou n GLY 25 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.41 0.00 1.61 0.01 -1.26 -5.08 114.94 109.81 1aou s ASN 26 Ca 0.00 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.72 1aou s ASN 26 Cb 0.00 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.16 1aou s ASN 26 CO 0.00 -0.29 0.00 -0.81 -1.51 0.00 0.00 177.10 174.49 1aou n PRO 27 N 1.24 1.15 -0.69 -0.60 -0.04 -1.26 -4.89 135.00 129.91 1aou n PRO 27 Ca -0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1aou n PRO 27 Cb 0.57 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.23 1aou n PRO 27 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1aou s ARG 28 N 0.00 0.20 0.00 0.54 3.00 -1.26 -3.50 118.95 117.93 1aou s ARG 28 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 55.73 56.89 1aou s ARG 28 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 34.95 33.29 1aou s ARG 28 CO 0.00 -3.06 0.00 0.41 0.00 0.00 0.00 175.30 172.65 1aou n GLY 29 N 0.30 0.77 3.25 -3.53 0.00 -0.02 -4.94 105.19 101.02 1aou n GLY 29 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.15 3.72 -2.61 2.61 -1.04 -1.23 -3.27 114.28 110.32 1aou n THR 30 Ca 0.00 -3.65 -0.43 0.00 -2.04 0.00 0.00 64.05 57.93 1aou n THR 30 Cb 0.00 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.06 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 7.57 4.31 -1.38 -1.42 3.01 -1.24 -0.91 117.46 127.41 1aou n PHE 31 Ca 0.50 -3.08 -0.16 0.00 1.01 0.00 0.00 57.45 55.72 1aou n PHE 31 Cb 0.43 -2.28 0.12 0.00 -0.01 0.00 0.00 39.48 37.74 1aou n PHE 31 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1aou n LEU 32 N 5.93 0.00 -4.33 4.37 -0.00 0.40 -0.58 117.00 122.80 1aou n LEU 32 Ca 0.42 -0.77 -0.17 0.00 -0.00 0.00 0.00 56.01 55.49 1aou n LEU 32 Cb 0.42 -0.56 -0.10 0.00 -0.00 0.00 0.00 43.42 43.18 1aou n LEU 32 CO 0.73 -1.13 -0.25 -0.63 -0.00 0.00 0.00 177.39 176.11 1aou s ILE 33 N -2.50 0.56 0.00 1.47 1.01 0.78 -0.48 121.20 122.03 1aou s ILE 33 Ca 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.06 1aou s ILE 33 Cb -0.02 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1aou s ILE 33 CO 0.29 0.00 0.00 -2.11 0.00 0.00 0.00 174.94 173.12 1aou n ARG 34 N -0.49 0.00 -2.00 2.79 -4.01 -0.58 -1.79 116.66 110.57 1aou n ARG 34 Ca -0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 1aou n ARG 34 Cb 0.66 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 30.05 1aou n ARG 34 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 1aou s GLU 35 N -2.00 4.26 -0.04 2.89 2.02 -0.49 0.16 118.70 125.49 1aou s GLU 35 Ca 0.00 2.29 -0.26 0.00 0.02 0.00 0.00 54.97 57.02 1aou s GLU 35 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1aou s GLU 35 CO 0.00 -0.49 0.81 -1.12 0.02 0.00 0.00 175.26 174.48 1aou s SER 36 N 0.77 7.14 -0.07 -0.19 0.01 -0.25 -4.51 113.70 116.60 1aou s SER 36 Ca 0.64 1.38 0.10 0.00 1.31 0.00 0.00 55.95 59.38 1aou s SER 36 Cb -0.42 -2.47 0.40 0.00 0.21 0.00 0.00 66.02 63.74 1aou s SER 36 CO 0.37 -0.16 1.23 -0.62 0.41 0.00 0.00 173.24 174.46 1aou n GLU 37 N 3.78 2.57 0.09 12.44 4.71 -1.26 -3.20 120.64 139.77 1aou n GLU 37 Ca 0.01 -1.58 -0.22 0.00 -0.01 0.00 0.00 57.16 55.36 1aou n GLU 37 Cb 0.51 -1.64 -0.15 0.00 -1.01 0.00 0.00 31.44 29.15 1aou n GLU 37 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1aou h THR 38 N 2.24 1.41 -4.45 2.62 1.03 -1.96 -3.47 112.91 110.33 1aou h THR 38 Ca 0.00 -2.57 -0.14 0.00 -0.01 0.00 0.00 66.41 63.69 1aou h THR 38 Cb 0.95 3.09 -0.01 0.00 -1.07 0.00 0.00 68.15 71.11 1aou h THR 38 CO 0.14 0.75 -0.07 1.07 -0.01 0.00 0.00 175.52 177.40 1aou n THR 39 N -3.97 0.00 -0.38 0.00 5.66 -1.26 -4.95 114.28 109.38 1aou n THR 39 Ca -0.15 -0.54 0.31 0.00 -3.05 0.00 0.00 64.05 60.63 1aou n THR 39 Cb 0.93 -0.38 0.58 0.00 -1.55 0.00 0.00 70.33 69.91 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 0.16 0.00 1.09 1.57 -1.91 -3.39 116.57 114.09 1aou h LYS 40 Ca -0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1aou h LYS 40 Cb 0.31 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1aou h LYS 40 CO 0.14 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 1aou n GLY 41 N -1.41 -1.75 0.00 3.86 0.00 -1.26 -5.02 105.19 99.60 1aou n GLY 41 Ca 0.35 0.70 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 -4.23 4.61 0.00 -1.19 -4.81 120.51 114.89 1aou n ALA 42 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 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 0.00 0.27 -3.81 0.00 4.01 -0.86 -1.09 117.16 115.67 1aou n TYR 43 Ca 0.00 -1.07 -0.07 0.00 -0.16 0.00 0.00 57.90 56.60 1aou n TYR 43 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 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 -2.23 -0.28 -0.32 7.72 0.15 0.42 -0.93 113.70 118.22 1aou s SER 44 Ca 0.02 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.11 1aou s SER 44 Cb -0.00 0.70 0.12 0.00 -1.71 0.00 0.00 66.02 65.13 1aou s SER 44 CO 0.01 -1.28 0.16 -0.22 1.20 0.00 0.00 173.24 173.11 1aou s LEU 45 N -2.90 0.87 0.33 3.45 0.20 -0.03 -1.53 118.68 119.07 1aou s LEU 45 Ca 0.10 -1.70 -0.25 0.00 0.69 0.00 0.00 54.13 52.97 1aou s LEU 45 Cb -0.05 -0.42 -0.10 0.00 -0.43 0.00 0.00 46.19 45.19 1aou s LEU 45 CO 0.05 -0.38 0.93 -0.44 -0.29 0.00 0.00 176.35 176.22 1aou s SER 46 N 1.62 7.27 -0.06 3.68 0.01 0.37 -0.07 113.70 126.51 1aou s SER 46 Ca 0.13 1.79 0.02 0.00 1.31 0.00 0.00 55.95 59.21 1aou s SER 46 Cb -0.19 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.49 1aou s SER 46 CO -0.20 -0.10 -0.12 0.27 0.41 0.00 0.00 173.24 173.49 1aou s ILE 47 N -1.69 1.13 -0.14 1.44 -4.36 -0.58 0.15 121.20 117.16 1aou s ILE 47 Ca 0.51 -0.49 -0.24 0.00 -0.26 0.00 0.00 60.65 60.18 1aou s ILE 47 Cb -0.17 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 1aou s ILE 47 CO 0.22 0.35 0.75 -0.60 0.24 0.00 0.00 174.94 175.90 1aou s ARG 48 N 0.58 4.33 -0.17 0.37 6.06 -0.08 -1.07 118.95 128.97 1aou s ARG 48 Ca -0.13 0.89 -0.06 0.00 -2.50 0.00 0.00 55.73 53.93 1aou s ARG 48 Cb -0.15 -3.53 0.08 0.00 0.06 0.00 0.00 34.95 31.41 1aou s ARG 48 CO 0.03 -0.17 0.35 0.34 -2.50 0.00 0.00 175.30 173.36 1aou s ASP 49 N 1.04 -0.00 0.17 -2.12 2.15 -0.73 -0.84 116.67 116.33 1aou s ASP 49 Ca 0.36 0.82 -0.01 0.00 0.43 0.00 0.00 52.55 54.16 1aou s ASP 49 Cb -0.17 1.06 -0.04 0.00 -0.30 0.00 0.00 42.92 43.47 1aou s ASP 49 CO 0.14 -0.23 0.35 0.86 -0.17 0.00 0.00 175.17 176.12 1aou s TRP 50 N 2.51 3.49 0.13 -5.34 -0.00 -1.26 -0.98 118.94 117.48 1aou s TRP 50 Ca -0.01 0.31 0.02 0.00 -0.00 0.00 0.00 56.10 56.43 1aou s TRP 50 Cb -0.12 -1.83 -0.04 0.00 -0.00 0.00 0.00 33.47 31.48 1aou s TRP 50 CO -0.11 0.43 -0.05 -0.51 -0.00 0.00 0.00 176.95 176.71 1aou s ASP 51 N -3.03 1.33 -0.22 5.86 1.11 -0.58 -4.92 116.67 116.23 1aou s ASP 51 Ca 0.38 -1.06 -0.05 0.00 0.18 0.00 0.00 52.55 52.00 1aou s ASP 51 Cb -0.11 0.07 -0.09 0.00 1.07 0.00 0.00 42.92 43.86 1aou s ASP 51 CO 0.28 -0.46 3.10 -0.90 1.18 0.00 0.00 175.17 178.37 1aou n ASP 52 N -0.14 5.85 0.00 0.27 5.75 -1.26 -2.77 116.55 124.25 1aou n ASP 52 Ca -0.10 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 1aou n ASP 52 Cb 0.61 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 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 1.64 0.00 0.00 0.11 0.00 -1.26 -4.96 117.12 112.65 1aou n MET 53 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.13 1aou n MET 53 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.94 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 -0.49 1.10 0.00 3.17 2.85 -1.24 -5.13 118.16 118.41 1aou n LYS 54 Ca 0.00 -0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1aou n LYS 54 Cb 0.00 -0.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.75 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 0.21 -1.76 3.62 2.58 0.00 -1.11 -4.90 105.19 103.83 1aou n GLY 55 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 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 2.40 0.12 1.61 1.01 -1.26 -1.52 116.67 115.02 1aou s ASP 56 Ca 0.00 1.80 -0.05 0.00 0.71 0.00 0.00 52.55 55.02 1aou s ASP 56 Cb 0.00 -2.40 0.02 0.00 1.01 0.00 0.00 42.92 41.55 1aou s ASP 56 CO 0.00 -3.36 0.24 1.41 0.21 0.00 0.00 175.17 173.67 1aou n HIS 57 N -4.38 -1.39 -3.54 4.23 8.25 -0.15 -4.82 115.22 113.41 1aou n HIS 57 Ca 0.08 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1aou n HIS 57 Cb 0.53 0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.89 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 -2.72 -0.99 0.00 1.59 1.01 -1.26 -1.78 120.40 116.26 1aou s VAL 58 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1aou s VAL 58 Cb -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1aou s VAL 58 CO 0.03 0.00 0.00 1.17 0.00 0.00 0.00 175.10 176.30 1aou n LYS 59 N 5.44 1.23 -3.49 2.72 4.81 -0.23 -4.83 118.16 123.81 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 0.84 -0.55 -0.32 5.64 3.76 -1.26 -1.53 115.29 121.87 1aou s HIS 60 Ca 0.00 0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 55.52 1aou s HIS 60 Cb 0.00 0.46 0.11 0.00 1.11 0.00 0.00 32.58 34.25 1aou s HIS 60 CO 0.00 -0.72 0.12 0.71 -0.85 0.00 0.00 174.74 174.00 1aou s TYR 61 N -2.61 1.48 -0.16 1.40 2.02 0.89 -4.90 117.35 115.48 1aou s TYR 61 Ca -0.04 -1.68 -0.33 0.00 -0.37 0.00 0.00 57.07 54.65 1aou s TYR 61 Cb -0.01 -1.57 -0.10 0.00 -0.40 0.00 0.00 41.96 39.88 1aou s TYR 61 CO -0.03 -0.86 2.03 1.17 -1.57 0.00 0.00 175.55 176.30 1aou n LYS 62 N 4.72 1.98 -3.15 -0.62 0.00 -1.26 -0.85 118.16 118.98 1aou n LYS 62 Ca -0.01 0.66 -0.30 0.00 0.00 0.00 0.00 58.31 58.66 1aou n LYS 62 Cb 0.41 -2.78 -0.04 0.00 0.00 0.00 0.00 35.03 32.61 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 5.75 4.87 -0.00 3.15 1.09 -0.11 -4.76 121.20 131.18 1aou s ILE 63 Ca 0.98 0.49 0.02 0.00 -1.10 0.00 0.00 60.65 61.03 1aou s ILE 63 Cb -0.62 -3.69 -0.01 0.00 -1.06 0.00 0.00 42.46 37.09 1aou s ILE 63 CO 0.46 -0.32 -0.06 -0.13 -0.10 0.00 0.00 174.94 174.80 1aou s ARG 64 N -3.41 0.45 -0.15 2.79 3.00 -1.02 -2.04 118.95 118.58 1aou s ARG 64 Ca 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 55.73 55.96 1aou s ARG 64 Cb -0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 34.95 34.40 1aou s ARG 64 CO 0.26 0.11 -0.09 0.21 0.00 0.00 0.00 175.30 175.80 1aou s LYS 65 N -0.24 3.48 -0.02 3.54 2.20 -1.26 -1.01 119.74 126.43 1aou s LYS 65 Ca 0.01 -0.62 -0.21 0.00 -0.36 0.00 0.00 55.97 54.79 1aou s LYS 65 Cb -0.03 -2.78 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1aou s LYS 65 CO -0.00 0.17 0.62 -0.51 -0.36 0.00 0.00 175.35 175.27 1aou s LEU 66 N 0.51 4.39 0.36 5.43 2.01 0.72 -4.90 118.68 127.19 1aou s LEU 66 Ca -0.06 1.17 0.27 0.00 0.01 0.00 0.00 54.13 55.52 1aou s LEU 66 Cb -0.15 -2.96 1.07 0.00 0.01 0.00 0.00 46.19 44.15 1aou s LEU 66 CO 0.04 0.05 1.80 0.44 1.01 0.00 0.00 176.35 179.69 1aou h ASP 67 N 5.90 0.00 0.37 2.29 3.32 -1.99 -1.43 116.42 124.89 1aou h ASP 67 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1aou h ASP 67 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1aou h ASP 67 CO 0.71 0.00 -0.15 0.59 -1.72 0.00 0.00 179.24 178.67 1aou n ASN 68 N -2.56 0.56 0.00 6.45 3.02 -1.26 -4.86 115.26 116.60 1aou n ASN 68 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1aou n ASN 68 Cb 0.29 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 1.31 -0.20 0.00 7.41 0.00 -0.56 -5.16 105.19 107.99 1aou n GLY 69 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 2.00 3.57 -0.02 0.00 -1.10 -4.50 105.19 105.14 1aou n GLY 70 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 2.09 2.10 0.00 1.61 1.51 0.10 -0.20 117.35 124.56 1aou s TYR 71 Ca 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 1aou s TYR 71 Cb 0.00 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 1aou s TYR 71 CO 0.00 0.15 0.00 2.48 -1.11 0.00 0.00 175.55 177.07 1aou n TYR 72 N -0.92 0.00 0.16 2.71 4.11 -0.18 -0.54 117.16 122.50 1aou n TYR 72 Ca -0.07 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.89 1aou n TYR 72 Cb 0.67 0.00 0.07 0.00 -0.00 0.00 0.00 39.34 40.08 1aou n TYR 72 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 1aou h ILE 73 N 0.00 0.55 -3.54 -3.48 2.04 -1.82 -2.70 117.51 108.55 1aou h ILE 73 Ca 0.00 -1.78 -0.18 0.00 1.00 0.00 0.00 64.86 63.90 1aou h ILE 73 Cb 0.00 2.26 -0.25 0.00 -0.74 0.00 0.00 36.82 38.09 1aou h ILE 73 CO 0.00 0.31 -0.58 0.28 0.00 0.00 0.00 178.15 178.16 1aou s THR 74 N -3.05 0.03 -1.14 -0.27 -1.32 -1.26 -4.84 115.64 103.80 1aou s THR 74 Ca 0.05 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.28 1aou s THR 74 Cb 0.07 -0.24 0.03 0.00 -1.51 0.00 0.00 72.50 70.85 1aou s THR 74 CO 0.72 -0.15 1.01 0.35 -2.21 0.00 0.00 174.62 174.34 1aou n THR 75 N 2.48 1.60 0.40 5.08 -2.24 -1.26 -1.67 114.28 118.67 1aou n THR 75 Ca -0.16 0.40 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 1aou n THR 75 Cb 0.58 -1.36 0.49 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.03 -0.78 9.65 -1.95 -3.43 114.38 115.84 1aou h ARG 76 Ca 0.00 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 1aou h ARG 76 Cb 0.03 0.00 -0.20 0.00 -1.39 0.00 0.00 29.97 28.41 1aou h ARG 76 CO 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 179.97 182.62 1aou s ALA 77 N -3.35 -1.99 0.34 2.80 0.00 -0.67 -5.10 121.76 113.80 1aou s ALA 77 Ca 0.05 2.30 0.06 0.00 0.00 0.00 0.00 51.96 54.37 1aou s ALA 77 Cb 0.09 -1.75 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 1aou s ALA 77 CO 0.49 -0.92 -0.01 -0.65 0.00 0.00 0.00 175.76 174.67 1aou s GLN 78 N 2.88 1.74 -0.26 0.00 -0.21 -1.25 -4.25 119.66 118.31 1aou s GLN 78 Ca -0.06 -1.94 -0.11 0.00 0.02 0.00 0.00 55.36 53.27 1aou s GLN 78 Cb -0.12 -1.30 0.10 0.00 1.00 0.00 0.00 33.01 32.69 1aou s GLN 78 CO -0.19 -0.04 0.59 -0.06 -2.12 0.00 0.00 175.29 173.48 1aou s PHE 79 N -2.94 -1.09 0.38 0.91 0.08 0.29 -4.84 117.98 110.77 1aou s PHE 79 Ca 0.34 2.01 0.34 0.00 0.12 0.00 0.00 56.93 59.74 1aou s PHE 79 Cb 0.07 0.61 1.20 0.00 -0.57 0.00 0.00 43.02 44.32 1aou s PHE 79 CO 0.15 -0.56 1.09 -0.85 -0.10 0.00 0.00 175.22 174.95 1aou n GLU 80 N 5.03 -0.00 -4.32 0.44 0.00 -1.26 0.03 120.64 120.56 1aou n GLU 80 Ca -0.14 0.77 -0.20 0.00 0.00 0.00 0.00 57.16 57.59 1aou n GLU 80 Cb 0.52 -1.75 -0.08 0.00 0.00 0.00 0.00 31.44 30.13 1aou n GLU 80 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1aou s THR 81 N -4.34 0.13 0.07 3.84 -1.32 -1.26 -4.42 115.64 108.34 1aou s THR 81 Ca -0.04 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.42 1aou s THR 81 Cb 0.19 -2.47 -0.27 0.00 -1.51 0.00 0.00 72.50 68.43 1aou s THR 81 CO 0.62 0.00 1.10 -0.07 -2.21 0.00 0.00 174.62 174.06 1aou h LEU 82 N 2.14 0.37 -0.89 9.08 3.38 -1.94 -2.24 115.31 125.21 1aou h LEU 82 Ca -0.29 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.15 1aou h LEU 82 Cb 1.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1aou h LEU 82 CO 0.43 1.33 -0.51 -0.61 0.09 0.00 0.00 178.44 179.17 1aou h GLN 83 N 0.06 0.11 0.00 1.13 -0.00 -1.94 -0.37 115.11 114.10 1aou h GLN 83 Ca -0.14 -0.06 -0.16 0.00 -0.00 0.00 0.00 58.65 58.29 1aou h GLN 83 Cb 1.96 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.42 1aou h GLN 83 CO 0.19 0.60 -0.76 1.96 0.00 0.00 0.00 178.83 180.81 1aou h GLN 84 N 0.09 0.00 0.05 1.69 7.50 -1.90 -1.52 115.11 121.03 1aou h GLN 84 Ca 0.00 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 58.92 1aou h GLN 84 Cb 0.93 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.46 1aou h GLN 84 CO 0.07 0.76 -1.06 1.37 -1.50 0.00 0.00 178.83 178.47 1aou h LEU 85 N 0.00 0.27 -0.76 1.46 8.10 -1.03 -1.90 115.31 121.45 1aou h LEU 85 Ca -0.01 -0.27 -0.03 0.00 0.11 0.00 0.00 57.88 57.69 1aou h LEU 85 Cb 1.39 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 41.52 1aou h LEU 85 CO 0.10 1.16 -0.15 -0.37 -4.11 0.00 0.00 178.44 175.07 1aou h VAL 86 N 0.07 0.31 -0.09 0.15 -1.51 -1.02 0.20 116.25 114.36 1aou h VAL 86 Ca -0.07 -1.09 -0.10 0.00 -1.23 0.00 0.00 66.70 64.20 1aou h VAL 86 Cb 1.76 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.78 1aou h VAL 86 CO 0.16 0.15 -0.35 -0.61 -1.23 0.00 0.00 177.57 175.69 1aou h GLN 87 N 0.00 0.40 0.17 5.19 4.15 -1.01 0.37 115.11 124.39 1aou h GLN 87 Ca -0.00 -0.31 -0.30 0.00 0.77 0.00 0.00 58.65 58.81 1aou h GLN 87 Cb 0.84 0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.60 1aou h GLN 87 CO 0.02 0.94 -1.39 1.25 -1.93 0.00 0.00 178.83 177.72 1aou h HIS 88 N -0.05 0.66 0.00 3.99 2.76 -1.23 -3.14 115.15 118.14 1aou h HIS 88 Ca -0.02 -0.48 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1aou h HIS 88 Cb 0.98 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.92 1aou h HIS 88 CO 0.12 1.41 0.00 1.88 -1.30 0.00 0.00 177.93 180.03 1aou h TYR 89 N 0.10 0.00 -0.06 5.26 -1.99 -0.68 -2.20 116.97 117.39 1aou h TYR 89 Ca -0.20 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.33 1aou h TYR 89 Cb 2.05 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.78 1aou h TYR 89 CO 0.09 0.00 -0.79 0.77 -0.00 0.00 0.00 178.16 178.23 1aou h SER 90 N 0.00 0.53 1.17 3.88 0.02 -0.86 -3.10 113.55 115.18 1aou h SER 90 Ca 0.00 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.53 1aou h SER 90 Cb 0.54 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1aou h SER 90 CO 0.00 1.13 -0.86 1.05 -1.14 0.00 0.00 176.83 177.01 1aou h GLU 91 N 0.28 0.00 -3.87 3.45 4.11 -1.57 -3.47 114.58 113.51 1aou h GLU 91 Ca -0.05 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 1aou h GLU 91 Cb 1.39 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.40 1aou h GLU 91 CO 0.14 0.12 -0.70 1.03 0.07 0.00 0.00 179.01 179.67 1aou s ARG 92 N -3.19 0.21 0.61 1.06 0.52 -0.85 -5.01 118.95 112.31 1aou s ARG 92 Ca 0.01 -0.38 0.34 0.00 -0.52 0.00 0.00 55.73 55.17 1aou s ARG 92 Cb 0.08 0.07 1.97 0.00 0.52 0.00 0.00 34.95 37.60 1aou s ARG 92 CO 0.77 -0.03 2.27 0.00 0.02 0.00 0.00 175.30 178.33 1aou h ALA 93 N 5.17 1.41 0.00 2.13 0.00 -1.84 -3.35 119.26 122.78 1aou h ALA 93 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1aou h ALA 93 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1aou h ALA 93 CO 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1aou n ALA 94 N -2.25 0.00 0.00 0.00 0.00 -1.26 -3.30 120.51 113.70 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.04 0.00 0.00 0.00 -1.26 -4.69 105.19 98.28 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 0.19 0.99 -0.00 -1.21 -4.90 117.00 112.07 1aou n LEU 96 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 1aou n LEU 96 Cb 0.00 0.00 0.82 0.00 -0.00 0.00 0.00 43.42 44.24 1aou n LEU 96 CO 0.00 -0.03 1.16 0.28 -0.00 0.00 0.00 177.39 178.79 1aou h SER 97 N 0.00 0.00 0.00 1.45 0.02 -1.99 -3.46 113.55 109.57 1aou h SER 97 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1aou h SER 97 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1aou h SER 97 CO 0.00 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 175.45 1aou n SER 98 N -3.64 0.00 -3.07 3.07 2.88 -1.26 -5.06 113.62 106.54 1aou n SER 98 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1aou n SER 98 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1aou n SER 98 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1aou n ARG 99 N -0.56 -1.09 -1.44 -1.46 1.85 -1.26 -4.70 116.66 108.00 1aou n ARG 99 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 1aou n ARG 99 Cb 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 31.53 1aou n ARG 99 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1aou n LEU 100 N 0.00 0.00 -4.60 2.89 7.99 -1.25 -4.59 117.00 117.44 1aou n LEU 100 Ca 0.00 -1.09 -0.52 0.00 -0.01 0.00 0.00 56.01 54.40 1aou n LEU 100 Cb 0.00 -0.59 -0.06 0.00 -0.11 0.00 0.00 43.42 42.66 1aou n LEU 100 CO 0.00 -1.03 0.95 0.52 -1.51 0.00 0.00 177.39 176.32 1aou n VAL 101 N -2.94 0.02 -1.57 4.08 0.31 0.26 -4.29 118.33 114.19 1aou n VAL 101 Ca 0.11 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 1aou n VAL 101 Cb 0.38 -0.92 -0.01 0.00 -0.91 0.00 0.00 33.84 32.39 1aou n VAL 101 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1aou n VAL 102 N 2.72 2.08 -1.76 2.52 0.31 -1.20 -4.54 118.33 118.45 1aou n VAL 102 Ca 0.19 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 1aou n VAL 102 Cb 0.20 -0.96 0.07 0.00 -0.91 0.00 0.00 33.84 32.25 1aou n VAL 102 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1aou s PRO 103 N -1.66 2.34 -1.26 5.55 0.04 -1.26 -4.18 135.00 134.57 1aou s PRO 103 Ca 0.60 0.44 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1aou s PRO 103 Cb -0.66 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1aou s PRO 103 CO 0.59 -1.40 0.62 0.45 0.04 0.00 0.00 177.00 177.30 1aou n SER 104 N -3.25 -3.15 -0.34 6.66 2.88 -1.26 -4.81 113.62 110.36 1aou n SER 104 Ca 0.07 -1.06 0.07 0.00 -1.33 0.00 0.00 58.87 56.62 1aou n SER 104 Cb 0.58 -2.96 0.25 0.00 -0.75 0.00 0.00 64.21 61.33 1aou n SER 104 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 1aou h HIS 105 N -1.98 1.10 0.00 0.66 2.07 -1.97 -3.55 115.15 111.47 1aou h HIS 105 Ca -0.66 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 56.89 1aou h HIS 105 Cb 1.37 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 31.00 1aou h HIS 105 CO 0.40 0.46 0.00 1.17 -3.07 0.00 0.00 177.93 176.89