#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ple h SER 2 N 0.00 -0.09 -3.94 1.61 0.87 -2.10 -3.44 113.55 106.46 2ple h SER 2 Ca 0.00 -0.51 -0.46 0.00 -1.23 0.00 0.00 61.79 59.59 2ple h SER 2 Cb 0.00 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2ple h SER 2 CO 0.00 0.51 0.36 -2.16 -0.53 0.00 0.00 176.83 175.01 2ple s PRO 3 N -3.51 4.44 0.00 2.24 0.04 -1.26 -5.08 135.00 131.87 2ple s PRO 3 Ca -0.15 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2ple s PRO 3 Cb 0.00 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2ple s PRO 3 CO 0.58 0.14 0.00 0.41 0.04 0.00 0.00 177.00 178.17 2ple n GLY 4 N 0.27 0.87 2.49 0.56 0.00 -1.26 -4.95 105.19 103.16 2ple n GLY 4 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2ple n GLY 4 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ple n ILE 5 N 0.00 1.94 -2.54 -0.61 -0.00 -1.26 -5.05 119.36 111.84 2ple n ILE 5 Ca 0.00 -4.16 0.00 0.00 -0.00 0.00 0.00 62.75 58.59 2ple n ILE 5 Cb 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.11 2ple n ILE 5 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2ple n HIS 6 N -0.42 0.00 0.00 1.39 -0.00 -1.26 -5.13 115.22 109.80 2ple n HIS 6 Ca 0.29 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.47 2ple n HIS 6 Cb 0.76 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.63 2ple n HIS 6 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2ple n GLU 7 N 0.00 0.00 -2.22 1.57 1.02 -1.26 -5.05 120.64 114.70 2ple n GLU 7 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2ple n GLU 7 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 2ple n GLU 7 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ple n SER 8 N -2.29 -0.83 -4.97 1.62 2.88 -1.26 -5.11 113.62 103.66 2ple n SER 8 Ca 0.00 -1.57 -0.21 0.00 -1.33 0.00 0.00 58.87 55.76 2ple n SER 8 Cb 0.00 0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 2ple n SER 8 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2ple s LYS 9 N 0.05 3.40 -0.10 -1.46 1.02 -1.26 -5.10 119.74 116.28 2ple s LYS 9 Ca 0.05 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 2ple s LYS 9 Cb 0.14 -2.87 0.05 0.00 -0.52 0.00 0.00 37.83 34.62 2ple s LYS 9 CO -0.04 0.37 0.09 -1.21 -0.92 0.00 0.00 175.35 173.64 2ple s GLU 10 N -4.02 -0.00 0.00 1.68 2.02 -1.26 -4.97 118.70 112.15 2ple s GLU 10 Ca 0.36 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.54 2ple s GLU 10 Cb -0.09 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 33.06 2ple s GLU 10 CO 0.30 -0.48 0.23 -2.67 0.02 0.00 0.00 175.26 172.65 2ple n TRP 11 N 5.29 0.00 -2.82 1.61 4.27 -1.26 -5.07 117.44 119.47 2ple n TRP 11 Ca -0.05 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.32 2ple n TRP 11 Cb 0.50 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.46 2ple n TRP 11 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 2ple s TYR 12 N -0.05 3.28 -0.14 -2.67 -0.85 -1.26 -1.77 117.35 113.89 2ple s TYR 12 Ca 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.92 2ple s TYR 12 Cb 0.00 -2.39 0.05 0.00 0.38 0.00 0.00 41.96 40.00 2ple s TYR 12 CO 0.00 -0.44 0.07 -1.01 -1.52 0.00 0.00 175.55 172.65 2ple s HIS 13 N -2.67 0.35 -1.31 -3.49 3.76 0.26 -4.83 115.29 107.36 2ple s HIS 13 Ca 0.49 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.17 2ple s HIS 13 Cb -0.10 -0.72 0.20 0.00 1.11 0.00 0.00 32.58 33.07 2ple s HIS 13 CO 0.40 -0.45 0.96 0.00 -0.85 0.00 0.00 174.74 174.81 2ple n ALA 14 N 5.23 2.70 -3.71 -1.40 0.00 -1.26 0.08 120.51 122.15 2ple n ALA 14 Ca -0.07 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 2ple n ALA 14 Cb 0.49 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 2ple n ALA 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ple s SER 15 N -0.54 -0.34 0.00 0.00 1.04 -1.26 -4.83 113.70 107.77 2ple s SER 15 Ca 0.14 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2ple s SER 15 Cb 0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2ple s SER 15 CO 0.06 -0.17 0.00 0.18 0.98 0.00 0.00 173.24 174.29 2ple n LEU 16 N 4.23 0.00 -4.86 2.42 4.77 -1.26 -4.89 117.00 117.41 2ple n LEU 16 Ca -0.25 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.52 2ple n LEU 16 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2ple n LEU 16 CO 0.12 0.00 -0.05 -0.89 -1.33 0.00 0.00 177.39 175.25 2ple s THR 17 N -2.00 3.04 -0.70 -5.08 2.01 -1.26 -4.99 115.64 106.65 2ple s THR 17 Ca 0.00 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.66 2ple s THR 17 Cb 0.00 -3.08 0.23 0.00 0.01 0.00 0.00 72.50 69.67 2ple s THR 17 CO 0.00 -0.08 0.91 -2.11 -0.69 0.00 0.00 174.62 172.64 2ple n ARG 18 N -1.45 2.03 0.00 4.92 1.85 -1.26 -4.03 116.66 118.72 2ple n ARG 18 Ca 0.01 -0.90 0.00 0.00 -1.00 0.00 0.00 57.85 55.96 2ple n ARG 18 Cb 0.61 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 2ple n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ple n ALA 19 N 0.16 0.00 0.01 2.89 0.00 -1.26 -4.90 120.51 117.42 2ple n ALA 19 Ca 0.09 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.74 2ple n ALA 19 Cb 0.56 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.72 2ple n ALA 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2ple h GLN 20 N 0.00 0.00 -0.50 0.00 4.20 -1.98 -0.29 115.11 116.54 2ple h GLN 20 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2ple h GLN 20 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2ple h GLN 20 CO 0.00 0.00 0.25 0.00 -0.67 0.00 0.00 178.83 178.41 2ple h ALA 21 N 1.70 0.64 0.00 3.87 0.00 -1.91 0.12 119.26 123.69 2ple h ALA 21 Ca 0.25 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2ple h ALA 21 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2ple h ALA 21 CO -0.00 -0.10 -0.21 0.93 0.00 0.00 0.00 179.25 179.87 2ple h GLU 22 N 0.49 0.00 -0.67 0.00 4.39 -1.39 -2.69 114.58 114.71 2ple h GLU 22 Ca 0.22 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 2ple h GLU 22 Cb 0.14 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2ple h GLU 22 CO -0.16 0.21 0.21 1.25 -1.16 0.00 0.00 179.01 179.36 2ple h HIS 23 N 0.00 1.08 -0.46 4.33 2.76 -0.77 -1.19 115.15 120.90 2ple h HIS 23 Ca -0.00 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.07 2ple h HIS 23 Cb 0.54 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 2ple h HIS 23 CO 0.00 0.87 0.29 0.52 -1.30 0.00 0.00 177.93 178.31 2ple h MET 24 N 0.98 0.58 0.00 5.26 2.86 -1.11 -0.32 114.93 123.17 2ple h MET 24 Ca 0.22 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2ple h MET 24 Cb 0.30 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ple h MET 24 CO -0.01 0.38 0.00 -0.07 1.06 0.00 0.00 176.91 178.28 2ple h LEU 25 N 0.60 0.00 0.00 1.22 3.38 -1.49 -1.99 115.31 117.03 2ple h LEU 25 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2ple h LEU 25 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ple h LEU 25 CO -0.06 0.00 -0.05 -0.03 0.09 0.00 0.00 178.44 178.40 2ple h MET 26 N 0.00 0.00 0.00 1.13 4.05 0.17 -3.16 114.93 117.12 2ple h MET 26 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2ple h MET 26 Cb 0.45 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2ple h MET 26 CO 0.00 0.00 -0.33 0.00 0.23 0.00 0.00 176.91 176.81 2ple h ARG 27 N 0.00 0.00 -5.80 0.39 3.08 -0.54 -3.41 114.38 108.09 2ple h ARG 27 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2ple h ARG 27 Cb 0.99 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.95 2ple h ARG 27 CO 0.00 0.33 0.46 0.54 -1.07 0.00 0.00 179.97 180.23 2ple s VAL 28 N -3.91 4.81 -1.01 2.04 0.11 -1.20 -4.98 120.40 116.27 2ple s VAL 28 Ca -0.01 1.44 -0.23 0.00 -2.93 0.00 0.00 61.98 60.25 2ple s VAL 28 Cb 0.13 -4.14 0.05 0.00 -1.53 0.00 0.00 36.38 30.89 2ple s VAL 28 CO 0.68 -0.15 1.45 -2.16 -3.33 0.00 0.00 175.10 171.59 2ple s PRO 29 N 2.91 3.56 0.18 1.54 0.04 -1.26 -4.71 135.00 137.26 2ple s PRO 29 Ca 0.34 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.32 2ple s PRO 29 Cb -0.15 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.09 2ple s PRO 29 CO 0.09 -2.22 0.00 0.54 0.04 0.00 0.00 177.00 175.45 2ple n ARG 30 N 8.91 -3.98 0.00 4.56 1.74 -1.26 -5.09 116.66 121.55 2ple n ARG 30 Ca 0.32 2.94 0.00 0.00 -0.77 0.00 0.00 57.85 60.33 2ple n ARG 30 Cb 0.51 -3.06 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 2ple n ARG 30 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ple n ASP 31 N 1.11 0.04 -2.93 0.55 2.03 -1.25 -5.01 116.55 111.09 2ple n ASP 31 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2ple n ASP 31 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2ple n ASP 31 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2ple s GLY 32 N 0.00 -1.33 0.08 0.27 0.00 -1.25 -3.47 107.32 101.63 2ple s GLY 32 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 44.72 46.02 2ple s GLY 32 CO 0.00 4.18 0.34 0.00 0.00 0.00 0.00 173.10 177.62 2ple s ALA 33 N 2.29 -0.77 0.35 3.20 0.00 -0.90 -2.76 121.76 123.18 2ple s ALA 33 Ca 0.19 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.16 2ple s ALA 33 Cb 0.01 0.50 -0.07 0.00 0.00 0.00 0.00 23.12 23.56 2ple s ALA 33 CO -0.17 -0.53 -0.03 -0.59 0.00 0.00 0.00 175.76 174.44 2ple s PHE 34 N -3.26 2.28 0.04 0.00 -0.71 -1.13 -1.46 117.98 113.74 2ple s PHE 34 Ca -0.00 -0.67 -0.13 0.00 -1.04 0.00 0.00 56.93 55.09 2ple s PHE 34 Cb 0.01 -1.45 0.02 0.00 -1.21 0.00 0.00 43.02 40.39 2ple s PHE 34 CO -0.08 0.39 0.29 -0.51 -1.34 0.00 0.00 175.22 173.96 2ple s LEU 35 N -3.59 0.96 0.02 -1.99 1.43 0.97 -4.89 118.68 111.60 2ple s LEU 35 Ca 0.33 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2ple s LEU 35 Cb 0.06 1.28 -0.02 0.00 0.03 0.00 0.00 46.19 47.55 2ple s LEU 35 CO 0.16 -0.60 -0.20 -0.69 0.23 0.00 0.00 176.35 175.25 2ple s VAL 36 N -2.50 1.60 0.00 -1.59 1.01 -0.73 -0.15 120.40 118.04 2ple s VAL 36 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2ple s VAL 36 Cb -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2ple s VAL 36 CO -0.03 0.27 0.00 -2.11 0.00 0.00 0.00 175.10 173.23 2ple n ARG 37 N 2.09 0.00 -4.24 2.72 1.85 -1.00 0.89 116.66 118.97 2ple n ARG 37 Ca -0.17 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.53 2ple n ARG 37 Cb 0.53 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.84 2ple n ARG 37 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2ple s LYS 38 N -1.49 1.03 0.00 2.89 2.47 0.11 -1.99 119.74 122.77 2ple s LYS 38 Ca 0.00 -1.38 0.00 0.00 -1.56 0.00 0.00 55.97 53.03 2ple s LYS 38 Cb 0.00 -0.68 0.00 0.00 -1.46 0.00 0.00 37.83 35.69 2ple s LYS 38 CO 0.00 0.10 0.00 0.54 0.16 0.00 0.00 175.35 176.15 2ple n ARG 39 N 0.03 1.91 -0.94 4.03 5.12 -1.26 -4.76 116.66 120.79 2ple n ARG 39 Ca -0.12 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.65 2ple n ARG 39 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 2ple n ARG 39 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ple n ASN 40 N 0.00 6.24 0.00 0.55 4.13 -1.26 -4.86 115.26 120.06 2ple n ASN 40 Ca 0.00 -2.96 0.00 0.00 1.68 0.00 0.00 54.58 53.30 2ple n ASN 40 Cb 0.00 -1.12 0.00 0.00 -1.54 0.00 0.00 39.78 37.12 2ple n ASN 40 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ple n GLU 41 N 0.73 -0.93 -1.34 3.52 1.02 -1.26 -5.01 120.64 117.36 2ple n GLU 41 Ca 0.29 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.12 2ple n GLU 41 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.94 2ple n GLU 41 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2ple n PRO 42 N -0.50 3.32 0.00 3.49 -0.04 -1.26 -4.69 135.00 135.32 2ple n PRO 42 Ca 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 2ple n PRO 42 Cb 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 2ple n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ple n ASN 43 N 2.87 0.00 -2.81 3.54 0.23 -1.26 -5.12 115.26 112.71 2ple n ASN 43 Ca 0.66 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.71 2ple n ASN 43 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 2ple n ASN 43 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2ple n SER 44 N 0.00 -0.30 -3.27 0.53 3.41 -1.26 -4.89 113.62 107.83 2ple n SER 44 Ca 0.00 -0.35 -0.18 0.00 -0.26 0.00 0.00 58.87 58.08 2ple n SER 44 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2ple n SER 44 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2ple s TYR 45 N -0.50 1.58 0.22 7.33 1.51 -0.73 -4.23 117.35 122.53 2ple s TYR 45 Ca 0.00 -1.57 -0.00 0.00 -1.01 0.00 0.00 57.07 54.49 2ple s TYR 45 Cb 0.00 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 2ple s TYR 45 CO 0.00 -0.97 0.15 0.00 -1.11 0.00 0.00 175.55 173.62 2ple s ALA 46 N -3.27 1.25 -0.28 3.71 0.00 -0.84 -1.99 121.76 120.33 2ple s ALA 46 Ca 0.38 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 2ple s ALA 46 Cb 0.01 1.40 0.13 0.00 0.00 0.00 0.00 23.12 24.66 2ple s ALA 46 CO 0.26 -0.60 0.26 0.42 0.00 0.00 0.00 175.76 176.11 2ple s ILE 47 N -4.08 -0.34 -0.67 0.00 1.01 0.32 -2.36 121.20 115.08 2ple s ILE 47 Ca 0.39 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 60.29 2ple s ILE 47 Cb 0.06 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.62 2ple s ILE 47 CO 0.14 -0.50 1.08 -0.94 0.00 0.00 0.00 174.94 174.72 2ple s SER 48 N 2.31 6.20 -0.02 3.58 1.04 0.79 -1.42 113.70 126.19 2ple s SER 48 Ca 0.09 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.85 2ple s SER 48 Cb -0.14 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 63.51 2ple s SER 48 CO -0.32 -1.56 -0.03 0.72 0.98 0.00 0.00 173.24 173.03 2ple s PHE 49 N 4.67 0.43 0.16 5.02 -0.71 -0.81 -0.02 117.98 126.71 2ple s PHE 49 Ca 0.28 -0.07 0.05 0.00 -1.04 0.00 0.00 56.93 56.15 2ple s PHE 49 Cb -0.13 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2ple s PHE 49 CO 0.13 -0.07 0.09 -0.98 -1.34 0.00 0.00 175.22 173.05 2ple s ARG 50 N 0.37 2.74 0.26 1.99 3.03 -0.54 -0.17 118.95 126.64 2ple s ARG 50 Ca -0.04 -0.92 -0.21 0.00 2.03 0.00 0.00 55.73 56.60 2ple s ARG 50 Cb -0.07 -2.57 0.03 0.00 -1.03 0.00 0.00 34.95 31.31 2ple s ARG 50 CO -0.01 0.49 0.68 0.00 -1.13 0.00 0.00 175.30 175.33 2ple s ALA 51 N -1.69 -1.23 0.00 7.88 0.00 -0.86 -2.11 121.76 123.75 2ple s ALA 51 Ca 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2ple s ALA 51 Cb -0.10 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2ple s ALA 51 CO 0.22 -0.98 0.00 -1.91 0.00 0.00 0.00 175.76 173.09 2ple n GLU 52 N -0.44 0.00 -1.48 0.00 2.13 -1.23 -2.06 120.64 117.56 2ple n GLU 52 Ca -0.06 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.41 2ple n GLU 52 Cb 0.60 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.38 2ple n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ple n GLY 53 N 0.00 5.90 3.53 8.31 0.00 -1.26 -3.90 105.19 117.76 2ple n GLY 53 Ca 0.00 -2.37 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 2ple n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ple s LYS 54 N -3.83 0.84 0.88 1.61 3.01 -0.87 -5.00 119.74 116.38 2ple s LYS 54 Ca 0.62 -0.02 -0.12 0.00 -1.01 0.00 0.00 55.97 55.44 2ple s LYS 54 Cb 0.49 0.39 0.12 0.00 -1.01 0.00 0.00 37.83 37.82 2ple s LYS 54 CO -0.05 -0.31 1.12 0.42 0.51 0.00 0.00 175.35 177.04 2ple s ILE 55 N -1.99 2.39 0.20 2.17 1.01 -1.26 -2.03 121.20 121.68 2ple s ILE 55 Ca -0.02 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 2ple s ILE 55 Cb -0.01 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2ple s ILE 55 CO -0.01 -0.16 0.30 -0.75 0.00 0.00 0.00 174.94 174.31 2ple s LYS 56 N -5.20 1.29 0.18 2.79 2.47 0.77 -4.68 119.74 117.36 2ple s LYS 56 Ca 0.63 -1.33 -0.16 0.00 -1.56 0.00 0.00 55.97 53.55 2ple s LYS 56 Cb -0.15 0.37 0.02 0.00 -1.46 0.00 0.00 37.83 36.62 2ple s LYS 56 CO 0.54 -0.48 0.47 -1.58 0.16 0.00 0.00 175.35 174.46 2ple s HIS 57 N -4.04 -0.03 -0.28 4.03 2.46 -1.24 -1.92 115.29 114.26 2ple s HIS 57 Ca 0.25 -0.31 -0.15 0.00 0.47 0.00 0.00 55.06 55.32 2ple s HIS 57 Cb 0.03 0.30 0.10 0.00 -0.13 0.00 0.00 32.58 32.88 2ple s HIS 57 CO 0.06 -0.86 0.71 0.00 -2.47 0.00 0.00 174.74 172.18 2ple s ARG 59 N 1.84 2.61 -0.18 0.00 1.04 -1.26 0.12 118.95 123.11 2ple s ARG 59 Ca -0.09 -1.41 -0.04 0.00 -1.04 0.00 0.00 55.73 53.14 2ple s ARG 59 Cb -0.06 -2.39 0.07 0.00 -2.04 0.00 0.00 34.95 30.53 2ple s ARG 59 CO -0.19 0.01 0.15 0.14 -0.04 0.00 0.00 175.30 175.37 2ple s VAL 60 N -2.38 -0.19 0.58 4.99 -7.23 -0.84 -4.60 120.40 110.73 2ple s VAL 60 Ca 0.42 -0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.48 2ple s VAL 60 Cb -0.04 -0.60 0.05 0.00 0.56 0.00 0.00 36.38 36.34 2ple s VAL 60 CO 0.26 -0.23 0.81 0.00 -0.31 0.00 0.00 175.10 175.63 2ple s GLN 61 N 2.22 2.38 0.01 4.82 -2.07 -0.80 -1.78 119.66 124.44 2ple s GLN 61 Ca 0.04 -0.87 0.04 0.00 -1.82 0.00 0.00 55.36 52.75 2ple s GLN 61 Cb -0.16 -2.47 -0.01 0.00 -1.09 0.00 0.00 33.01 29.28 2ple s GLN 61 CO -0.10 -0.85 -0.12 -1.14 -1.32 0.00 0.00 175.29 171.77 2ple s GLN 62 N -4.82 0.89 -0.51 9.60 0.74 -1.26 -1.09 119.66 123.20 2ple s GLN 62 Ca 0.59 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 55.51 2ple s GLN 62 Cb -0.09 -0.86 0.52 0.00 1.10 0.00 0.00 33.01 33.68 2ple s GLN 62 CO 0.39 0.23 1.82 -1.91 -0.55 0.00 0.00 175.29 175.28 2ple n GLU 63 N 2.51 2.56 0.00 1.67 0.00 -0.86 -4.91 120.64 121.61 2ple n GLU 63 Ca -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 57.16 53.70 2ple n GLU 63 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.80 2ple n GLU 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ple n GLY 64 N -0.99 2.46 0.90 8.31 0.00 -1.26 -4.51 105.19 110.11 2ple n GLY 64 Ca 0.56 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2ple n GLY 64 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ple n GLN 65 N 0.00 0.08 -1.24 1.61 -0.06 -1.26 -5.07 117.38 111.44 2ple n GLN 65 Ca 0.00 0.03 -0.19 0.00 -2.00 0.00 0.00 57.00 54.84 2ple n GLN 65 Cb 0.00 -0.64 0.13 0.00 -4.06 0.00 0.00 30.24 25.67 2ple n GLN 65 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2ple n THR 66 N -3.63 0.00 -3.75 1.69 -1.04 -1.26 -5.02 114.28 101.27 2ple n THR 66 Ca -0.02 -0.64 -0.16 0.00 -2.04 0.00 0.00 64.05 61.19 2ple n THR 66 Cb 0.10 -1.68 -0.16 0.00 -1.82 0.00 0.00 70.33 66.77 2ple n THR 66 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ple s VAL 67 N -2.90 -0.07 -0.37 12.58 0.11 -1.23 -2.03 120.40 126.48 2ple s VAL 67 Ca 0.49 0.25 -0.21 0.00 -2.93 0.00 0.00 61.98 59.58 2ple s VAL 67 Cb -0.01 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.73 2ple s VAL 67 CO 0.35 0.10 0.68 -0.32 -3.33 0.00 0.00 175.10 172.57 2ple s MET 68 N 1.29 3.63 0.00 1.54 1.75 -0.25 -0.70 119.30 126.56 2ple s MET 68 Ca -0.07 0.04 0.29 0.00 -1.25 0.00 0.00 55.69 54.71 2ple s MET 68 Cb -0.13 -3.83 1.31 0.00 2.84 0.00 0.00 34.83 35.02 2ple s MET 68 CO -0.03 -0.82 1.90 1.47 -0.65 0.00 0.00 175.02 176.89 2ple n LEU 69 N 6.19 0.57 0.00 4.11 -0.00 -0.76 -1.91 117.00 125.19 2ple n LEU 69 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2ple n LEU 69 Cb 0.48 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2ple n LEU 69 CO 0.51 0.10 0.00 0.61 -0.00 0.00 0.00 177.39 178.61 2ple n GLY 70 N 1.21 -1.50 0.10 1.47 0.00 -1.26 -4.78 105.19 100.43 2ple n GLY 70 Ca 0.17 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.58 2ple n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ple n ASN 71 N 0.00 1.15 -4.86 1.61 5.15 -1.26 -5.00 115.26 112.05 2ple n ASN 71 Ca 0.00 -0.05 -0.29 0.00 -0.60 0.00 0.00 54.58 53.64 2ple n ASN 71 Cb 0.00 0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 39.66 2ple n ASN 71 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2ple s SER 72 N -5.63 4.44 -0.15 1.20 0.15 -1.26 -5.11 113.70 107.35 2ple s SER 72 Ca -0.18 -1.44 0.02 0.00 0.70 0.00 0.00 55.95 55.05 2ple s SER 72 Cb 0.06 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.95 2ple s SER 72 CO 0.67 -1.06 -0.20 -1.83 1.20 0.00 0.00 173.24 172.02 2ple s GLU 73 N -4.15 2.82 0.00 5.44 -1.05 -1.26 -1.84 118.70 118.67 2ple s GLU 73 Ca 0.21 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 2ple s GLU 73 Cb -0.01 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 2ple s GLU 73 CO 0.13 -0.10 0.00 0.34 0.95 0.00 0.00 175.26 176.58 2ple n PHE 74 N 4.32 0.00 0.06 4.83 7.35 0.13 -4.81 117.46 129.33 2ple n PHE 74 Ca -0.20 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.32 2ple n PHE 74 Cb 0.51 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.20 2ple n PHE 74 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2ple h ASP 75 N 0.00 0.41 0.00 -2.13 3.58 -1.88 -3.26 116.42 113.14 2ple h ASP 75 Ca 0.00 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.84 2ple h ASP 75 Cb 0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2ple h ASP 75 CO 0.00 1.51 0.00 -1.54 -2.88 0.00 0.00 179.24 176.33 2ple n SER 76 N -3.45 0.00 -0.01 2.28 3.41 -1.26 -4.60 113.62 109.99 2ple n SER 76 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 2ple n SER 76 Cb 1.05 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.91 2ple n SER 76 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2ple h LEU 77 N 0.00 0.04 -0.48 1.04 6.46 -1.98 -0.07 115.31 120.32 2ple h LEU 77 Ca 0.00 -0.34 -0.02 0.00 -0.12 0.00 0.00 57.88 57.40 2ple h LEU 77 Cb 0.00 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2ple h LEU 77 CO 0.00 0.37 0.21 0.58 -0.62 0.00 0.00 178.44 178.98 2ple h VAL 78 N -0.29 1.20 0.00 1.05 2.07 -2.01 -1.50 116.25 116.77 2ple h VAL 78 Ca 0.01 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2ple h VAL 78 Cb 0.35 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2ple h VAL 78 CO 0.00 0.23 -0.06 -0.78 0.02 0.00 0.00 177.57 176.98 2ple h ASP 79 N 0.63 0.00 -0.32 0.57 3.58 -1.90 -1.51 116.42 117.47 2ple h ASP 79 Ca 0.16 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2ple h ASP 79 Cb 0.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2ple h ASP 79 CO -0.02 0.06 0.09 -0.07 -2.88 0.00 0.00 179.24 176.43 2ple h LEU 80 N 0.00 0.54 0.00 2.28 3.38 0.09 -1.87 115.31 119.73 2ple h LEU 80 Ca -0.00 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 2ple h LEU 80 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2ple h LEU 80 CO 0.01 0.54 -1.23 0.40 0.09 0.00 0.00 178.44 178.25 2ple h ILE 81 N 0.57 1.04 -0.46 1.22 5.03 -1.27 -3.21 117.51 120.45 2ple h ILE 81 Ca 0.13 -2.70 0.07 0.00 -0.12 0.00 0.00 64.86 62.25 2ple h ILE 81 Cb 0.22 2.47 -0.06 0.00 -3.03 0.00 0.00 36.82 36.42 2ple h ILE 81 CO -0.00 0.60 0.10 -1.28 -0.68 0.00 0.00 178.15 176.89 2ple h SER 82 N 0.00 0.04 1.54 1.72 0.87 -0.62 0.22 113.55 117.33 2ple h SER 82 Ca -0.13 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2ple h SER 82 Cb 1.74 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2ple h SER 82 CO 0.09 0.05 0.00 0.10 -0.53 0.00 0.00 176.83 176.54 2ple h TYR 83 N 0.25 0.00 -0.14 2.24 -0.00 -1.61 -3.15 116.97 114.55 2ple h TYR 83 Ca 0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.84 2ple h TYR 83 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.99 2ple h TYR 83 CO -0.20 0.00 -0.39 0.10 -0.00 0.00 0.00 178.16 177.66 2ple h TYR 84 N 0.00 0.36 0.00 0.10 -0.00 -0.96 0.30 116.97 116.77 2ple h TYR 84 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 58.73 58.64 2ple h TYR 84 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 36.73 37.42 2ple h TYR 84 CO 0.00 0.66 0.00 -0.85 -0.00 0.00 0.00 178.16 177.97 2ple n GLU 85 N -4.04 0.05 0.00 0.10 -0.00 -0.91 -1.90 120.64 113.95 2ple n GLU 85 Ca -0.01 0.44 0.00 0.00 -0.00 0.00 0.00 57.16 57.58 2ple n GLU 85 Cb 0.48 -1.63 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 2ple n GLU 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2ple n LYS 86 N -1.73 0.04 -3.85 3.44 5.02 -0.74 -5.08 118.16 115.27 2ple n LYS 86 Ca 0.01 -0.49 -0.10 0.00 -2.02 0.00 0.00 58.31 55.71 2ple n LYS 86 Cb 0.09 -0.78 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 2ple n LYS 86 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2ple s HIS 87 N -0.15 0.14 0.47 2.13 3.76 0.99 -5.10 115.29 117.53 2ple s HIS 87 Ca 0.00 -0.50 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 2ple s HIS 87 Cb 0.00 0.14 -0.09 0.00 1.11 0.00 0.00 32.58 33.74 2ple s HIS 87 CO 0.00 -0.79 0.98 -1.25 -0.85 0.00 0.00 174.74 172.83 2ple s PRO 88 N -3.91 4.02 -0.05 8.40 0.04 -1.26 -4.29 135.00 137.95 2ple s PRO 88 Ca 0.12 1.13 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 2ple s PRO 88 Cb 0.02 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2ple s PRO 88 CO -0.03 -0.22 -0.04 1.25 0.04 0.00 0.00 177.00 178.01 2ple h LEU 89 N 1.49 0.00 0.00 -3.56 7.12 -1.63 -3.48 115.31 115.26 2ple h LEU 89 Ca -0.48 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2ple h LEU 89 Cb 1.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 2ple h LEU 89 CO 0.61 0.26 0.00 0.00 -0.13 0.00 0.00 178.44 179.17 2ple n TYR 90 N -3.19 0.00 0.15 1.25 9.36 -1.26 -4.95 117.16 118.52 2ple n TYR 90 Ca -0.01 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.21 2ple n TYR 90 Cb 0.05 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 38.99 2ple n TYR 90 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 2ple h ARG 91 N 0.00 0.00 -1.13 2.98 -0.00 -2.06 -3.33 114.38 110.84 2ple h ARG 91 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 59.98 59.58 2ple h ARG 91 Cb 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 29.97 29.57 2ple h ARG 91 CO 0.00 0.54 -1.13 0.36 -0.00 0.00 0.00 179.97 179.74 2ple n LYS 92 N -3.75 1.45 -4.05 0.08 2.85 -1.26 -5.09 118.16 108.39 2ple n LYS 92 Ca -0.01 -3.44 -0.07 0.00 -1.05 0.00 0.00 58.31 53.74 2ple n LYS 92 Cb 0.57 -1.41 -0.10 0.00 -0.65 0.00 0.00 35.03 33.45 2ple n LYS 92 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2ple s MET 93 N -3.14 0.61 -0.07 -1.58 -1.94 -1.25 -5.04 119.30 106.89 2ple s MET 93 Ca 0.31 -1.14 0.10 0.00 -1.71 0.00 0.00 55.69 53.25 2ple s MET 93 Cb 0.44 0.22 0.15 0.00 2.01 0.00 0.00 34.83 37.65 2ple s MET 93 CO 0.00 -0.12 1.08 1.63 -0.01 0.00 0.00 175.02 177.60 2ple n LYS 94 N 0.22 0.65 -4.14 2.03 5.02 -1.26 -1.75 118.16 118.92 2ple n LYS 94 Ca -0.15 -1.81 -0.31 0.00 -2.02 0.00 0.00 58.31 54.02 2ple n LYS 94 Cb 0.61 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.58 2ple n LYS 94 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2ple n LEU 95 N -0.72 -1.78 0.03 -0.35 0.00 -1.26 -4.72 117.00 108.21 2ple n LEU 95 Ca 0.08 -1.06 -0.18 0.00 0.00 0.00 0.00 56.01 54.85 2ple n LEU 95 Cb 0.67 -2.05 -0.14 0.00 0.00 0.00 0.00 43.42 41.90 2ple n LEU 95 CO 0.00 0.36 -0.58 -0.09 0.00 0.00 0.00 177.39 177.08 2ple h ARG 96 N -1.65 0.25 -7.00 1.96 9.65 -1.95 -3.48 114.38 112.16 2ple h ARG 96 Ca -0.62 -0.42 -0.59 0.00 -1.10 0.00 0.00 59.98 57.25 2ple h ARG 96 Cb 1.38 0.16 -0.25 0.00 -1.39 0.00 0.00 29.97 29.86 2ple h ARG 96 CO 0.71 1.10 -0.91 2.48 2.80 0.00 0.00 179.97 186.16 2ple n TYR 97 N -3.43 -1.17 -2.04 2.20 0.18 -1.26 -4.87 117.16 106.77 2ple n TYR 97 Ca -0.24 0.60 -0.25 0.00 1.88 0.00 0.00 57.90 59.90 2ple n TYR 97 Cb 1.05 -2.38 0.16 0.00 -0.38 0.00 0.00 39.34 37.80 2ple n TYR 97 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 2ple n PRO 98 N -4.25 -0.85 -1.87 -3.48 -0.04 -1.11 -2.84 135.00 120.56 2ple n PRO 98 Ca -0.18 -2.02 -0.04 0.00 -0.04 0.00 0.00 63.50 61.22 2ple n PRO 98 Cb 0.59 -1.05 0.03 0.00 -0.04 0.00 0.00 33.50 33.03 2ple n PRO 98 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2ple n ILE 99 N -3.39 0.02 -3.06 0.52 0.13 -1.26 -3.26 119.36 109.06 2ple n ILE 99 Ca 0.15 -0.57 -0.25 0.00 -1.10 0.00 0.00 62.75 60.99 2ple n ILE 99 Cb 0.52 0.77 -0.04 0.00 -0.84 0.00 0.00 39.64 40.05 2ple n ILE 99 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 2ple n ASN 100 N -0.77 3.35 0.00 9.51 6.94 -1.26 -4.75 115.26 128.27 2ple n ASN 100 Ca -0.22 -3.46 0.00 0.00 -0.02 0.00 0.00 54.58 50.89 2ple n ASN 100 Cb 0.80 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 2ple n ASN 100 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2ple n GLU 101 N 0.07 3.68 -0.23 -3.83 0.00 -1.26 -4.99 120.64 114.07 2ple n GLU 101 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.38 2ple n GLU 101 Cb 0.46 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.96 2ple n GLU 101 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2ple h GLU 102 N 0.00 1.10 -3.26 3.44 4.22 -2.01 -3.27 114.58 114.79 2ple h GLU 102 Ca 0.00 -0.28 -0.80 0.00 0.08 0.00 0.00 59.36 58.36 2ple h GLU 102 Cb 0.00 -0.14 -0.28 0.00 0.50 0.00 0.00 28.75 28.83 2ple h GLU 102 CO 0.00 0.99 0.60 0.09 -2.18 0.00 0.00 179.01 178.52 2ple n ASN 103 N -4.22 5.94 -0.01 1.04 3.02 -1.26 -4.81 115.26 114.95 2ple n ASN 103 Ca 0.05 -3.21 -0.07 0.00 -0.03 0.00 0.00 54.58 51.31 2ple n ASN 103 Cb 0.28 -1.33 -0.06 0.00 -0.61 0.00 0.00 39.78 38.07 2ple n ASN 103 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2ple h SER 104 N 6.08 -0.08 0.00 6.41 4.64 -1.85 -3.48 113.55 125.27 2ple h SER 104 Ca 0.19 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2ple h SER 104 Cb 0.75 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2ple h SER 104 CO 1.16 0.57 0.00 -1.54 -0.87 0.00 0.00 176.83 176.16