#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abv s GLU 2 N 0.00 2.85 -0.27 1.43 8.01 -1.26 -5.06 118.70 124.41 1abv s GLU 2 Ca 0.00 -1.23 0.22 0.00 0.01 0.00 0.00 54.97 53.97 1abv s GLU 2 Cb 0.00 -2.75 0.50 0.00 -4.31 0.00 0.00 34.13 27.57 1abv s GLU 2 CO 0.00 -0.23 1.09 1.19 0.01 0.00 0.00 175.26 177.32 1abv n PHE 3 N -1.82 1.28 -0.35 1.61 3.72 -1.26 -4.93 117.46 115.72 1abv n PHE 3 Ca 0.07 -2.22 0.23 0.00 -0.05 0.00 0.00 57.45 55.48 1abv n PHE 3 Cb 0.59 -0.25 0.48 0.00 -0.94 0.00 0.00 39.48 39.36 1abv n PHE 3 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 176.76 175.87 1abv h ILE 4 N 5.22 0.44 -1.00 4.37 -0.00 -1.95 0.23 117.51 124.81 1abv h ILE 4 Ca -0.12 -0.14 0.15 0.00 -0.00 0.00 0.00 64.86 64.75 1abv h ILE 4 Cb 1.26 0.00 -0.09 0.00 -0.00 0.00 0.00 36.82 37.99 1abv h ILE 4 CO 0.23 0.07 0.62 0.74 -0.00 0.00 0.00 178.15 179.82 1abv h THR 5 N 0.40 0.84 0.01 0.16 2.02 -1.98 0.73 112.91 115.09 1abv h THR 5 Ca 0.66 -0.31 -0.25 0.00 0.77 0.00 0.00 66.41 67.28 1abv h THR 5 Cb 1.58 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1abv h THR 5 CO -0.42 0.16 -1.01 0.58 0.37 0.00 0.00 175.52 175.20 1abv h VAL 6 N 0.90 1.34 -0.05 3.16 2.07 -0.99 -3.25 116.25 119.44 1abv h VAL 6 Ca 0.53 -2.37 -0.13 0.00 0.82 0.00 0.00 66.70 65.55 1abv h VAL 6 Cb 0.65 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1abv h VAL 6 CO -0.31 0.72 -0.55 0.00 0.02 0.00 0.00 177.57 177.45 1abv h ALA 7 N 0.56 0.98 -0.79 1.67 0.00 -0.60 -3.16 119.26 117.92 1abv h ALA 7 Ca -0.11 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.38 1abv h ALA 7 Cb 1.66 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.25 1abv h ALA 7 CO 0.19 0.69 -0.54 0.00 0.00 0.00 0.00 179.25 179.59 1abv h ARG 8 N 0.11 -0.13 -0.17 0.00 3.08 0.36 0.51 114.38 118.14 1abv h ARG 8 Ca -0.00 0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 1abv h ARG 8 Cb 1.01 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.10 1abv h ARG 8 CO 0.08 -0.09 -0.70 -1.00 -1.07 0.00 0.00 179.97 177.19 1abv h PRO 9 N -0.14 0.77 -0.17 0.04 0.13 -1.74 -0.23 132.00 130.66 1abv h PRO 9 Ca 0.16 -0.61 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1abv h PRO 9 Cb 0.50 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 1abv h PRO 9 CO -0.82 1.22 -0.01 1.88 -0.23 0.00 0.00 178.00 180.04 1abv h TYR 10 N 0.50 -0.03 -0.23 1.56 -1.99 -1.29 0.28 116.97 115.77 1abv h TYR 10 Ca -0.04 0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.51 1abv h TYR 10 Cb 1.33 0.04 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1abv h TYR 10 CO 0.09 -0.03 -0.60 0.00 -0.00 0.00 0.00 178.16 177.61 1abv h ALA 11 N 1.15 0.39 0.76 3.88 0.00 -0.07 -2.58 119.26 122.78 1abv h ALA 11 Ca 0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1abv h ALA 11 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1abv h ALA 11 CO -0.15 0.64 -0.41 -0.22 0.00 0.00 0.00 179.25 179.11 1abv h LYS 12 N 0.58 -1.04 -0.61 0.00 3.11 -0.64 0.36 116.57 118.34 1abv h LYS 12 Ca -0.01 0.07 0.09 0.00 -2.81 0.00 0.00 60.65 57.99 1abv h LYS 12 Cb 1.22 0.24 -0.07 0.00 -1.00 0.00 0.00 32.23 32.62 1abv h LYS 12 CO 0.13 -0.69 0.23 0.00 -2.81 0.00 0.00 179.45 176.31 1abv h ALA 13 N -1.38 0.79 -0.48 5.00 0.00 -0.56 0.05 119.26 122.69 1abv h ALA 13 Ca -0.10 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1abv h ALA 13 Cb 0.85 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1abv h ALA 13 CO 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.17 1abv h ALA 14 N 1.42 1.05 -0.42 0.00 0.00 -1.36 -2.95 119.26 117.00 1abv h ALA 14 Ca 0.31 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1abv h ALA 14 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1abv h ALA 14 CO -0.30 0.59 0.05 0.35 0.00 0.00 0.00 179.25 179.94 1abv h PHE 15 N 0.75 0.75 -0.01 0.00 3.57 0.11 -0.32 116.94 121.79 1abv h PHE 15 Ca 0.14 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1abv h PHE 15 Cb 0.50 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1abv h PHE 15 CO 0.03 0.73 -0.04 -0.44 -2.23 0.00 0.00 178.31 176.36 1abv h ASP 16 N 0.55 -0.12 -0.78 0.41 3.32 -0.87 0.90 116.42 119.84 1abv h ASP 16 Ca 0.13 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.27 1abv h ASP 16 Cb 0.40 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 1abv h ASP 16 CO 0.01 -0.03 0.51 2.19 -1.72 0.00 0.00 179.24 180.20 1abv h PHE 17 N -0.04 0.80 -0.85 4.55 -5.15 -1.61 0.22 116.94 114.87 1abv h PHE 17 Ca 0.00 0.02 0.09 0.00 -0.20 0.00 0.00 57.97 57.88 1abv h PHE 17 Cb 0.05 -0.26 -0.06 0.00 0.22 0.00 0.00 35.95 35.90 1abv h PHE 17 CO -0.44 0.40 0.55 0.00 -2.00 0.00 0.00 178.31 176.81 1abv h ALA 18 N 1.59 1.67 0.03 12.09 0.00 -0.12 0.67 119.26 135.20 1abv h ALA 18 Ca 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1abv h ALA 18 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1abv h ALA 18 CO -0.13 0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.56 1abv h VAL 19 N 0.84 1.42 -0.53 0.00 2.07 0.11 0.28 116.25 120.44 1abv h VAL 19 Ca 0.39 -1.63 0.06 0.00 0.82 0.00 0.00 66.70 66.34 1abv h VAL 19 Cb 0.38 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.57 1abv h VAL 19 CO -0.15 0.40 0.23 -0.33 0.02 0.00 0.00 177.57 177.74 1abv h GLU 20 N -0.78 0.43 0.00 1.57 5.08 -0.69 0.42 114.58 120.61 1abv h GLU 20 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1abv h GLU 20 Cb 0.69 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1abv h GLU 20 CO 0.01 0.29 0.00 0.72 -1.00 0.00 0.00 179.01 179.02 1abv n HIS 21 N -4.94 0.00 -1.95 4.33 8.25 0.23 -4.86 115.22 116.28 1abv n HIS 21 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 1abv n HIS 21 Cb 0.18 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 1abv n HIS 21 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1abv n GLN 22 N -0.76 -1.67 0.07 -0.41 6.02 0.14 -4.82 117.38 115.95 1abv n GLN 22 Ca 0.12 0.87 0.12 0.00 -0.01 0.00 0.00 57.00 58.09 1abv n GLN 22 Cb 0.05 -5.33 0.04 0.00 1.02 0.00 0.00 30.24 26.02 1abv n GLN 22 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1abv n SER 23 N -1.37 0.73 -0.27 1.08 2.88 0.86 -4.45 113.62 113.08 1abv n SER 23 Ca -0.18 0.16 0.01 0.00 -1.33 0.00 0.00 58.87 57.54 1abv n SER 23 Cb 0.59 0.52 0.05 0.00 -0.75 0.00 0.00 64.21 64.62 1abv n SER 23 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1abv n VAL 24 N -2.38 -0.35 0.04 2.46 0.31 -0.48 0.21 118.33 118.14 1abv n VAL 24 Ca 0.01 1.65 -0.11 0.00 -0.01 0.00 0.00 64.34 65.88 1abv n VAL 24 Cb 0.50 -2.21 -0.05 0.00 -0.91 0.00 0.00 33.84 31.16 1abv n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1abv h GLU 25 N 0.00 -0.09 -0.10 5.55 4.39 -1.89 -0.15 114.58 122.30 1abv h GLU 25 Ca 0.28 0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.75 1abv h GLU 25 Cb 0.46 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1abv h GLU 25 CO -0.71 -0.06 -0.86 -0.09 -1.16 0.00 0.00 179.01 176.12 1abv h ARG 26 N -0.09 0.74 -0.19 2.33 9.65 -0.58 -3.13 114.38 123.12 1abv h ARG 26 Ca 0.03 -0.66 0.05 0.00 -1.10 0.00 0.00 59.98 58.30 1abv h ARG 26 Cb 0.14 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1abv h ARG 26 CO -0.08 1.26 0.13 2.35 2.80 0.00 0.00 179.97 186.43 1abv h TRP 27 N 0.48 0.04 -0.74 2.20 7.01 0.27 -2.29 115.95 122.92 1abv h TRP 27 Ca -0.08 0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.09 1abv h TRP 27 Cb 1.50 -0.01 -0.12 0.00 -2.10 0.00 0.00 29.16 28.43 1abv h TRP 27 CO 0.09 0.02 0.11 0.37 -2.79 0.00 0.00 178.44 176.24 1abv h GLN 28 N 0.04 0.19 -0.17 2.65 5.75 -0.96 0.51 115.11 123.12 1abv h GLN 28 Ca 0.09 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1abv h GLN 28 Cb 0.30 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1abv h GLN 28 CO -0.00 0.13 -0.01 0.22 -2.65 0.00 0.00 178.83 176.51 1abv h ASP 29 N 0.20 0.29 -0.72 -0.69 3.58 -1.59 -1.77 116.42 115.72 1abv h ASP 29 Ca 0.41 -0.32 0.16 0.00 0.42 0.00 0.00 57.03 57.71 1abv h ASP 29 Cb 0.73 -0.08 -0.12 0.00 1.72 0.00 0.00 39.33 41.58 1abv h ASP 29 CO -0.57 0.54 0.03 0.24 -2.88 0.00 0.00 179.24 176.60 1abv h MET 30 N 0.04 0.13 -0.10 0.28 2.86 -0.96 0.91 114.93 118.09 1abv h MET 30 Ca 0.05 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1abv h MET 30 Cb 0.39 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1abv h MET 30 CO 0.01 0.08 -0.02 -0.07 1.06 0.00 0.00 176.91 177.97 1abv h LEU 31 N 0.13 0.19 0.90 1.22 3.38 -1.04 0.01 115.31 120.11 1abv h LEU 31 Ca 0.39 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1abv h LEU 31 Cb 0.67 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1abv h LEU 31 CO -0.61 0.50 -0.46 0.00 0.09 0.00 0.00 178.44 177.97 1abv h ALA 32 N 0.69 -1.26 -0.83 1.53 0.00 -0.20 0.13 119.26 119.33 1abv h ALA 32 Ca 0.03 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.80 1abv h ALA 32 Cb 0.42 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1abv h ALA 32 CO 0.01 -1.21 0.44 0.35 0.00 0.00 0.00 179.25 178.84 1abv h PHE 33 N -1.25 0.77 -0.26 0.00 3.57 0.71 1.03 116.94 121.52 1abv h PHE 33 Ca -0.12 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1abv h PHE 33 Cb 0.96 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1abv h PHE 33 CO -0.03 0.22 0.16 0.00 -2.23 0.00 0.00 178.31 176.43 1abv h ALA 34 N 1.53 0.33 -0.06 2.41 0.00 -0.67 -1.77 119.26 121.04 1abv h ALA 34 Ca 0.44 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 1abv h ALA 34 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1abv h ALA 34 CO -0.33 -0.17 -0.68 0.00 0.00 0.00 0.00 179.25 178.07 1abv h ALA 35 N 1.07 0.73 0.05 0.00 0.00 0.57 -2.69 119.26 119.00 1abv h ALA 35 Ca 0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1abv h ALA 35 Cb -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1abv h ALA 35 CO -0.02 0.77 -0.04 1.49 0.00 0.00 0.00 179.25 181.45 1abv h GLU 36 N 0.19 -0.09 -0.38 0.00 4.57 0.14 -2.39 114.58 116.62 1abv h GLU 36 Ca -0.02 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1abv h GLU 36 Cb 1.22 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1abv h GLU 36 CO 0.11 -0.06 -0.22 -0.24 -1.18 0.00 0.00 179.01 177.42 1abv h VAL 37 N -0.10 1.28 -0.16 0.32 3.04 -1.37 -3.06 116.25 116.21 1abv h VAL 37 Ca -0.00 -1.36 0.03 0.00 -1.01 0.00 0.00 66.70 64.36 1abv h VAL 37 Cb 0.08 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 1abv h VAL 37 CO -0.00 0.45 0.11 0.71 -1.01 0.00 0.00 177.57 177.83 1abv h THR 38 N 0.62 0.95 0.00 3.17 1.35 -1.37 -0.50 112.91 117.13 1abv h THR 38 Ca 0.08 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1abv h THR 38 Cb 0.78 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1abv h THR 38 CO 0.06 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 175.45 1abv h LYS 39 N 0.06 0.00 -6.58 4.72 1.57 -1.32 -3.37 116.57 111.66 1abv h LYS 39 Ca 0.07 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.32 1abv h LYS 39 Cb 0.21 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.54 1abv h LYS 39 CO -0.01 0.00 0.70 1.21 -0.57 0.00 0.00 179.45 180.79 1abv s ASN 40 N -4.46 6.84 0.16 0.86 3.84 -0.20 -4.91 114.94 117.08 1abv s ASN 40 Ca 0.05 2.34 -0.23 0.00 0.21 0.00 0.00 52.86 55.23 1abv s ASN 40 Cb 0.10 -2.59 0.05 0.00 -0.55 0.00 0.00 41.25 38.26 1abv s ASN 40 CO 0.45 -0.62 1.60 -0.33 -2.79 0.00 0.00 177.10 175.41 1abv h GLU 41 N 6.43 -0.25 -0.70 0.43 5.08 -1.87 0.17 114.58 123.87 1abv h GLU 41 Ca -0.43 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1abv h GLU 41 Cb 1.21 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1abv h GLU 41 CO 0.84 -0.17 0.47 1.96 -1.00 0.00 0.00 179.01 181.11 1abv h GLN 42 N -0.26 0.38 -0.34 2.33 4.20 -1.94 0.14 115.11 119.62 1abv h GLN 42 Ca 0.17 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1abv h GLN 42 Cb 0.53 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1abv h GLN 42 CO -0.51 0.25 -0.01 1.98 -0.67 0.00 0.00 178.83 179.87 1abv h MET 43 N 0.39 0.61 -0.96 1.46 4.05 -0.96 -1.14 114.93 118.37 1abv h MET 43 Ca 0.34 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1abv h MET 43 Cb 0.77 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.47 1abv h MET 43 CO -0.10 0.73 0.58 0.00 0.23 0.00 0.00 176.91 178.36 1abv h ALA 44 N 0.85 1.22 -0.25 0.39 0.00 0.37 0.55 119.26 122.39 1abv h ALA 44 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1abv h ALA 44 Cb 0.47 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1abv h ALA 44 CO 0.02 0.67 0.08 0.93 0.00 0.00 0.00 179.25 180.95 1abv h GLU 45 N 1.32 0.18 -0.23 0.00 5.08 -0.41 0.61 114.58 121.13 1abv h GLU 45 Ca 0.34 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1abv h GLU 45 Cb -0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1abv h GLU 45 CO -0.07 0.12 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.63 1abv h LEU 46 N 0.19 0.53 -0.19 1.33 3.38 -0.54 -3.13 115.31 116.89 1abv h LEU 46 Ca 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1abv h LEU 46 Cb 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1abv h LEU 46 CO -0.12 0.86 -0.00 -0.07 0.09 0.00 0.00 178.44 179.19 1abv h LEU 47 N 0.43 0.32 -5.11 1.67 3.38 0.97 -3.19 115.31 113.78 1abv h LEU 47 Ca 0.04 -0.31 -0.63 0.00 0.09 0.00 0.00 57.88 57.07 1abv h LEU 47 Cb 0.84 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1abv h LEU 47 CO 0.07 0.56 2.33 -1.20 0.09 0.00 0.00 178.44 180.29 1abv n SER 48 N -4.71 7.79 -4.01 -0.43 7.64 0.20 -4.79 113.62 115.33 1abv n SER 48 Ca -0.05 -2.89 -0.30 0.00 1.01 0.00 0.00 58.87 56.64 1abv n SER 48 Cb 0.23 -1.42 0.21 0.00 -1.01 0.00 0.00 64.21 62.22 1abv n SER 48 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1abv s GLY 49 N 1.13 1.66 -0.95 0.23 0.00 -1.21 -4.85 107.32 103.33 1abv s GLY 49 Ca 0.61 -1.01 -0.22 0.00 0.00 0.00 0.00 44.72 44.10 1abv s GLY 49 CO -0.09 -0.19 1.92 0.00 0.00 0.00 0.00 173.10 174.74 1abv n ALA 50 N -4.31 2.71 -2.17 3.20 0.00 -1.26 -4.10 120.51 114.58 1abv n ALA 50 Ca 0.13 -3.21 -0.17 0.00 0.00 0.00 0.00 53.44 50.19 1abv n ALA 50 Cb 0.59 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.44 1abv n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1abv n LEU 51 N 10.32 -1.53 -4.18 0.00 4.77 -1.26 -4.94 117.00 120.19 1abv n LEU 51 Ca 0.48 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 56.23 1abv n LEU 51 Cb 0.43 -2.59 -0.09 0.00 -2.33 0.00 0.00 43.42 38.84 1abv n LEU 51 CO 0.89 -0.38 -0.06 0.00 -1.33 0.00 0.00 177.39 176.50 1abv s ALA 52 N -2.76 3.33 0.04 -1.18 0.00 -1.26 -4.94 121.76 114.98 1abv s ALA 52 Ca 0.00 -2.57 -0.20 0.00 0.00 0.00 0.00 51.96 49.20 1abv s ALA 52 Cb 0.00 -2.70 -0.15 0.00 0.00 0.00 0.00 23.12 20.27 1abv s ALA 52 CO 0.00 -1.88 1.31 -1.00 0.00 0.00 0.00 175.76 174.19 1abv h PRO 53 N 8.28 0.40 -0.52 0.00 0.13 -1.92 -3.03 132.00 135.35 1abv h PRO 53 Ca -0.18 -0.24 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1abv h PRO 53 Cb 1.06 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1abv h PRO 53 CO 0.81 0.83 0.25 1.05 -0.23 0.00 0.00 178.00 180.70 1abv h GLU 54 N 0.01 0.73 0.58 0.86 9.09 -1.92 0.56 114.58 124.50 1abv h GLU 54 Ca 0.01 -0.09 -0.03 0.00 0.05 0.00 0.00 59.36 59.31 1abv h GLU 54 Cb 0.79 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1abv h GLU 54 CO 0.05 0.57 -0.30 1.15 0.05 0.00 0.00 179.01 180.53 1abv h THR 55 N 0.73 0.38 -0.38 -1.06 2.02 -1.94 0.26 112.91 112.92 1abv h THR 55 Ca 0.18 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.26 1abv h THR 55 Cb 0.08 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1abv h THR 55 CO -0.02 0.00 -0.19 0.17 0.37 0.00 0.00 175.52 175.84 1abv h LEU 56 N -0.82 0.74 0.54 2.58 8.10 -1.39 -0.11 115.31 124.95 1abv h LEU 56 Ca -0.08 -0.25 -0.03 0.00 0.11 0.00 0.00 57.88 57.64 1abv h LEU 56 Cb 0.64 -0.20 0.01 0.00 -0.44 0.00 0.00 40.66 40.66 1abv h LEU 56 CO 0.12 0.92 -0.26 0.00 -4.11 0.00 0.00 178.44 175.11 1abv h ALA 57 N 1.14 -0.81 -0.30 0.17 0.00 -0.73 -0.53 119.26 118.20 1abv h ALA 57 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1abv h ALA 57 Cb 0.68 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1abv h ALA 57 CO 0.05 -0.75 0.10 0.93 0.00 0.00 0.00 179.25 179.58 1abv h GLU 58 N -1.05 0.22 -0.76 0.00 4.39 -0.55 -0.59 114.58 116.24 1abv h GLU 58 Ca -0.07 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.69 1abv h GLU 58 Cb 0.55 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 1abv h GLU 58 CO 0.12 0.15 0.50 1.03 -1.16 0.00 0.00 179.01 179.64 1abv h SER 59 N 0.23 0.66 -0.08 1.42 0.87 -1.08 -0.91 113.55 114.67 1abv h SER 59 Ca 0.13 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1abv h SER 59 Cb 0.11 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1abv h SER 59 CO -0.14 0.42 -0.00 0.15 -0.53 0.00 0.00 176.83 176.72 1abv h PHE 60 N 0.75 0.16 -0.98 2.24 3.57 0.25 0.40 116.94 123.33 1abv h PHE 60 Ca 0.34 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.90 1abv h PHE 60 Cb 0.34 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 1abv h PHE 60 CO -0.00 0.42 0.63 0.82 -2.23 0.00 0.00 178.31 177.94 1abv h ILE 61 N -0.15 1.00 -0.07 1.41 5.03 -0.35 0.95 117.51 125.34 1abv h ILE 61 Ca 0.02 -0.36 -0.08 0.00 -0.12 0.00 0.00 64.86 64.33 1abv h ILE 61 Cb 0.36 -0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.02 1abv h ILE 61 CO 0.00 0.19 -0.26 0.00 -0.68 0.00 0.00 178.15 177.41 1abv h ALA 62 N 1.51 0.12 -0.10 1.87 0.00 -0.95 -2.11 119.26 119.60 1abv h ALA 62 Ca 0.45 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1abv h ALA 62 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1abv h ALA 62 CO -0.20 0.13 -0.45 -0.24 0.00 0.00 0.00 179.25 178.49 1abv h VAL 63 N -0.21 1.33 -0.05 0.00 3.04 0.37 -3.00 116.25 117.73 1abv h VAL 63 Ca -0.01 -1.61 -0.16 0.00 -1.01 0.00 0.00 66.70 63.90 1abv h VAL 63 Cb 0.90 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 1abv h VAL 63 CO 0.05 0.48 -0.69 0.00 -1.01 0.00 0.00 177.57 176.40 1abv n GLY 65 N 0.46 2.72 0.12 0.00 0.00 -0.80 -4.77 105.19 102.92 1abv n GLY 65 Ca -0.03 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.36 1abv n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1abv n GLU 66 N 0.73 0.12 -0.87 1.61 4.71 -1.26 -4.05 120.64 121.62 1abv n GLU 66 Ca 0.00 0.55 -0.29 0.00 -0.01 0.00 0.00 57.16 57.41 1abv n GLU 66 Cb 0.00 -1.84 -0.03 0.00 -1.01 0.00 0.00 31.44 28.55 1abv n GLU 66 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1abv n GLN 67 N -2.10 1.80 -4.18 3.49 10.64 -1.26 -4.80 117.38 120.97 1abv n GLN 67 Ca -0.00 -1.58 -0.18 0.00 -1.83 0.00 0.00 57.00 53.41 1abv n GLN 67 Cb 0.08 -2.61 -0.15 0.00 -0.86 0.00 0.00 30.24 26.69 1abv n GLN 67 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1abv s LEU 68 N 0.50 1.64 0.73 2.61 1.43 -1.26 -4.93 118.68 119.41 1abv s LEU 68 Ca 0.45 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 1abv s LEU 68 Cb 0.11 -0.38 0.04 0.00 0.03 0.00 0.00 46.19 45.99 1abv s LEU 68 CO 0.02 0.01 1.20 -0.62 0.23 0.00 0.00 176.35 177.19 1abv s ASP 69 N 0.41 4.25 0.31 2.29 -1.08 -1.26 -4.63 116.67 116.96 1abv s ASP 69 Ca -0.05 2.34 0.04 0.00 -0.52 0.00 0.00 52.55 54.36 1abv s ASP 69 Cb -0.09 -2.59 0.64 0.00 -1.46 0.00 0.00 42.92 39.43 1abv s ASP 69 CO -0.00 -2.23 1.86 1.05 0.52 0.00 0.00 175.17 176.38 1abv h GLU 70 N -0.27 0.87 -0.26 4.34 4.11 -1.99 0.28 114.58 121.66 1abv h GLU 70 Ca -0.48 -0.05 -0.15 0.00 0.07 0.00 0.00 59.36 58.76 1abv h GLU 70 Cb 1.29 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1abv h GLU 70 CO 0.50 0.57 -0.44 -0.91 0.07 0.00 0.00 179.01 178.81 1abv h ASN 71 N 0.89 0.69 0.13 3.06 2.35 -1.98 -1.97 115.58 118.75 1abv h ASN 71 Ca 0.46 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1abv h ASN 71 Cb 0.51 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1abv h ASN 71 CO -0.22 1.03 -0.06 1.23 -1.65 0.00 0.00 177.43 177.76 1abv h GLY 72 N 0.99 -0.18 0.97 2.83 0.00 -0.92 0.59 103.07 107.36 1abv h GLY 72 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1abv h GLY 72 CO 0.09 -0.06 0.15 1.46 0.00 0.00 0.00 176.54 178.18 1abv h GLN 73 N -0.31 0.30 -0.65 4.80 4.20 -0.76 -1.83 115.11 120.87 1abv h GLN 73 Ca -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1abv h GLN 73 Cb 0.25 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1abv h GLN 73 CO 0.03 0.20 0.39 -0.91 -0.67 0.00 0.00 178.83 177.87 1abv h ASN 74 N 0.31 0.79 -0.44 1.46 2.35 -1.22 -2.33 115.58 116.50 1abv h ASN 74 Ca 0.09 -0.07 0.09 0.00 -0.55 0.00 0.00 56.30 55.86 1abv h ASN 74 Cb -0.02 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.07 1abv h ASN 74 CO -0.03 0.63 -0.02 0.25 -1.65 0.00 0.00 177.43 176.61 1abv h LEU 75 N 0.89 -0.23 -0.34 1.61 6.46 0.74 0.59 115.31 125.03 1abv h LEU 75 Ca 0.23 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 58.13 1abv h LEU 75 Cb -0.01 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1abv h LEU 75 CO -0.04 -0.07 0.15 0.40 -0.62 0.00 0.00 178.44 178.25 1abv h ILE 76 N 0.09 0.95 0.46 4.05 1.08 -0.96 0.23 117.51 123.41 1abv h ILE 76 Ca 0.22 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 1abv h ILE 76 Cb 0.33 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1abv h ILE 76 CO -0.39 0.06 -0.22 -0.09 -0.69 0.00 0.00 178.15 176.82 1abv h ARG 77 N 0.32 -0.60 -0.99 2.37 2.43 -0.67 0.32 114.38 117.56 1abv h ARG 77 Ca 0.15 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.53 1abv h ARG 77 Cb 0.09 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 29.68 1abv h ARG 77 CO -0.12 -0.39 0.62 0.28 -1.51 0.00 0.00 179.97 178.85 1abv h VAL 78 N -0.65 0.77 -0.37 0.20 2.07 0.42 1.08 116.25 119.78 1abv h VAL 78 Ca -0.06 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1abv h VAL 78 Cb 0.49 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1abv h VAL 78 CO 0.10 0.15 -0.03 0.24 0.02 0.00 0.00 177.57 178.05 1abv h MET 79 N 0.80 0.68 0.07 1.57 2.86 0.04 -2.11 114.93 118.84 1abv h MET 79 Ca 0.54 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1abv h MET 79 Cb 0.79 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1abv h MET 79 CO -0.32 0.80 -0.03 0.00 1.06 0.00 0.00 176.91 178.42 1abv h ALA 80 N 0.85 -0.09 -0.88 6.32 0.00 0.26 1.04 119.26 126.76 1abv h ALA 80 Ca 0.10 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.01 1abv h ALA 80 Cb 0.52 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1abv h ALA 80 CO 0.03 -0.38 0.45 0.93 0.00 0.00 0.00 179.25 180.27 1abv h GLU 81 N -0.42 0.57 -0.06 0.00 3.07 0.11 0.45 114.58 118.29 1abv h GLU 81 Ca -0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1abv h GLU 81 Cb 0.37 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1abv h GLU 81 CO 0.02 0.38 0.00 0.09 -1.40 0.00 0.00 179.01 178.09 1abv n ASN 82 N -4.90 0.92 -1.88 1.42 3.02 -0.80 -4.90 115.26 108.14 1abv n ASN 82 Ca 0.19 -1.47 -0.14 0.00 -0.03 0.00 0.00 54.58 53.13 1abv n ASN 82 Cb 0.51 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.66 1abv n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1abv n GLY 83 N 1.03 -0.14 0.11 7.41 0.00 0.16 -4.91 105.19 108.85 1abv n GLY 83 Ca 0.17 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1abv n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abv n ARG 84 N -2.69 1.39 -0.15 1.61 5.12 0.35 -4.78 116.66 117.51 1abv n ARG 84 Ca -0.11 -2.00 0.19 0.00 -1.93 0.00 0.00 57.85 54.00 1abv n ARG 84 Cb 0.60 -1.19 0.58 0.00 -1.16 0.00 0.00 32.46 31.28 1abv n ARG 84 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1abv h LEU 85 N 0.00 0.25 -1.89 0.55 6.46 -1.66 0.16 115.31 119.17 1abv h LEU 85 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1abv h LEU 85 Cb 0.95 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1abv h LEU 85 CO 0.00 0.12 0.00 0.78 -0.62 0.00 0.00 178.44 178.72 1abv h ASN 86 N 0.26 0.00 -0.05 1.25 4.21 -1.89 -3.05 115.58 116.31 1abv h ASN 86 Ca 0.37 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.85 1abv h ASN 86 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 1abv h ASN 86 CO -0.09 0.00 0.04 0.00 -1.29 0.00 0.00 177.43 176.09 1abv n ALA 87 N -1.99 3.68 -0.08 -0.83 0.00 0.55 -4.33 120.51 117.50 1abv n ALA 87 Ca -0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1abv n ALA 87 Cb 0.17 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.64 1abv n ALA 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1abv h LEU 88 N 2.37 0.82 -0.28 0.00 5.85 -1.75 -3.05 115.31 119.27 1abv h LEU 88 Ca 0.03 -0.34 -0.19 0.00 0.84 0.00 0.00 57.88 58.22 1abv h LEU 88 Cb 1.02 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1abv h LEU 88 CO 0.07 1.07 -0.56 1.55 -0.34 0.00 0.00 178.44 180.23 1abv h PRO 89 N 0.67 0.88 -0.64 5.25 0.13 -1.89 -1.66 132.00 134.73 1abv h PRO 89 Ca 0.07 -0.57 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 1abv h PRO 89 Cb 0.86 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 31.97 1abv h PRO 89 CO 0.07 1.20 0.16 -0.44 -0.23 0.00 0.00 178.00 178.77 1abv h ASP 90 N 0.67 0.05 -0.36 1.44 5.19 -1.87 0.57 116.42 122.11 1abv h ASP 90 Ca 0.01 0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1abv h ASP 90 Cb 1.18 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 1abv h ASP 90 CO 0.13 0.02 -0.08 0.58 -3.12 0.00 0.00 179.24 176.77 1abv h VAL 91 N 0.29 1.28 0.22 -1.35 2.07 -1.44 -1.82 116.25 115.50 1abv h VAL 91 Ca 0.34 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1abv h VAL 91 Cb 0.51 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1abv h VAL 91 CO -0.41 0.38 -0.24 0.25 0.02 0.00 0.00 177.57 177.56 1abv h LEU 92 N 0.49 -0.66 -0.10 2.57 5.85 0.03 0.35 115.31 123.83 1abv h LEU 92 Ca 0.09 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1abv h LEU 92 Cb 0.58 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1abv h LEU 92 CO 0.03 -0.35 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.34 1abv h GLU 93 N -0.50 -0.14 -0.80 1.25 5.08 0.06 0.18 114.58 119.70 1abv h GLU 93 Ca 0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1abv h GLU 93 Cb 0.48 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 1abv h GLU 93 CO -0.07 -0.09 0.49 1.96 -1.00 0.00 0.00 179.01 180.29 1abv h GLN 94 N -0.15 0.88 -0.16 2.33 7.50 -1.07 -1.68 115.11 122.76 1abv h GLN 94 Ca 0.08 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.17 1abv h GLN 94 Cb 0.26 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 1abv h GLN 94 CO -0.19 0.58 0.08 0.35 -1.50 0.00 0.00 178.83 178.15 1abv h PHE 95 N 0.90 0.22 -0.51 2.96 3.57 0.65 0.28 116.94 125.01 1abv h PHE 95 Ca 0.35 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1abv h PHE 95 Cb 0.15 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 1abv h PHE 95 CO -0.04 0.24 0.09 0.82 -2.23 0.00 0.00 178.31 177.18 1abv h ILE 96 N 0.14 0.70 -0.07 1.41 5.03 -0.07 0.66 117.51 125.31 1abv h ILE 96 Ca 0.05 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 1abv h ILE 96 Cb 0.09 0.46 -0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1abv h ILE 96 CO -0.01 0.04 0.00 -0.74 -0.68 0.00 0.00 178.15 176.77 1abv h HIS 97 N 0.22 0.13 -0.55 1.37 2.76 -1.03 -0.76 115.15 117.30 1abv h HIS 97 Ca 0.26 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 1abv h HIS 97 Cb 0.35 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 1abv h HIS 97 CO -0.24 0.37 0.19 -0.07 -1.30 0.00 0.00 177.93 176.89 1abv h LEU 98 N -0.15 0.19 0.28 0.26 4.07 0.38 0.25 115.31 120.59 1abv h LEU 98 Ca 0.02 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1abv h LEU 98 Cb 0.32 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1abv h LEU 98 CO 0.00 0.13 -0.17 -0.09 -1.08 0.00 0.00 178.44 177.23 1abv h ARG 99 N 0.37 -0.42 -0.55 1.13 2.43 0.45 -1.43 114.38 116.36 1abv h ARG 99 Ca 0.27 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 1abv h ARG 99 Cb 0.31 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1abv h ARG 99 CO -0.28 -0.28 0.37 0.00 -1.51 0.00 0.00 179.97 178.28 1abv h ALA 100 N 0.27 1.95 0.69 2.80 0.00 -0.44 -2.13 119.26 122.39 1abv h ALA 100 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1abv h ALA 100 Cb 0.35 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1abv h ALA 100 CO 0.04 -0.06 -0.33 0.28 0.00 0.00 0.00 179.25 179.18 1abv h VAL 101 N 0.44 0.00 -0.97 0.00 2.07 0.19 -3.00 116.25 114.97 1abv h VAL 101 Ca 0.25 -0.26 0.20 0.00 0.82 0.00 0.00 66.70 67.71 1abv h VAL 101 Cb 0.41 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 1abv h VAL 101 CO -0.07 0.00 0.62 0.28 0.02 0.00 0.00 177.57 178.42 1abv h SER 102 N -1.18 0.60 -0.22 0.57 0.02 -1.04 1.00 113.55 113.31 1abv h SER 102 Ca -0.09 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1abv h SER 102 Cb 0.71 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1abv h SER 102 CO 0.15 0.21 0.14 -0.33 -1.14 0.00 0.00 176.83 175.87 1abv h GLU 103 N 0.59 0.29 0.05 3.45 3.07 -1.34 -3.04 114.58 117.65 1abv h GLU 103 Ca 0.54 -0.02 -0.37 0.00 -0.50 0.00 0.00 59.36 59.01 1abv h GLU 103 Cb 1.08 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.88 1abv h GLU 103 CO -0.29 0.20 -2.18 0.00 -1.40 0.00 0.00 179.01 175.34 1abv n ALA 104 N -2.50 1.13 -1.84 3.43 0.00 0.89 -5.12 120.51 116.50 1abv n ALA 104 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1abv n ALA 104 Cb 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1abv n ALA 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91