#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ple n SER 2 N 0.00 -5.80 -3.89 1.61 2.88 -1.26 -4.99 113.62 102.17 2ple n SER 2 Ca 0.00 1.02 -0.30 0.00 -1.33 0.00 0.00 58.87 58.27 2ple n SER 2 Cb 0.00 -2.92 0.21 0.00 -0.75 0.00 0.00 64.21 60.75 2ple n SER 2 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ple n PRO 3 N -1.57 -1.45 -1.05 -1.46 -0.04 -1.26 -5.04 135.00 123.13 2ple n PRO 3 Ca 0.00 -2.06 -0.31 0.00 -0.04 0.00 0.00 63.50 61.10 2ple n PRO 3 Cb 0.15 -1.40 0.13 0.00 -0.04 0.00 0.00 33.50 32.33 2ple n PRO 3 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2ple s GLY 4 N -5.84 1.67 -1.18 0.55 0.00 -1.26 -4.89 107.32 96.37 2ple s GLY 4 Ca 0.76 0.32 -0.18 0.00 0.00 0.00 0.00 44.72 45.61 2ple s GLY 4 CO 0.54 0.71 1.54 -0.42 0.00 0.00 0.00 173.10 175.47 2ple s ILE 5 N -2.81 4.35 0.04 0.90 1.09 -1.26 -4.43 121.20 119.07 2ple s ILE 5 Ca 0.63 -1.79 0.00 0.00 -1.10 0.00 0.00 60.65 58.39 2ple s ILE 5 Cb -0.19 -5.06 0.00 0.00 -1.06 0.00 0.00 42.46 36.15 2ple s ILE 5 CO 0.57 -1.86 0.00 1.57 -0.10 0.00 0.00 174.94 175.12 2ple n HIS 6 N 7.69 -1.03 -1.80 3.97 -0.00 -1.26 -5.11 115.22 117.68 2ple n HIS 6 Ca 0.40 0.09 -0.32 0.00 0.46 0.00 0.00 57.72 58.35 2ple n HIS 6 Cb 0.47 0.63 0.03 0.00 -0.12 0.00 0.00 29.99 30.99 2ple n HIS 6 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2ple s GLU 7 N -1.11 3.19 0.04 1.57 -1.05 -1.26 -5.03 118.70 115.05 2ple s GLU 7 Ca 0.00 1.01 -0.01 0.00 -0.15 0.00 0.00 54.97 55.82 2ple s GLU 7 Cb 0.00 -2.02 -0.03 0.00 -0.44 0.00 0.00 34.13 31.64 2ple s GLU 7 CO 0.00 -0.90 -0.03 0.45 0.95 0.00 0.00 175.26 175.74 2ple s SER 8 N -3.48 0.39 0.00 0.83 0.15 -1.26 -5.06 113.70 105.27 2ple s SER 8 Ca 0.59 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2ple s SER 8 Cb -0.14 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2ple s SER 8 CO 0.48 -0.49 0.00 1.17 1.20 0.00 0.00 173.24 175.60 2ple n LYS 9 N 0.66 0.44 0.00 5.44 4.81 -1.26 -4.80 118.16 123.45 2ple n LYS 9 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2ple n LYS 9 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2ple n LYS 9 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2ple n GLU 10 N 0.00 0.00 -0.03 1.64 4.07 -1.26 -3.55 120.64 121.51 2ple n GLU 10 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 2ple n GLU 10 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 2ple n GLU 10 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 2ple n TRP 11 N 0.00 0.09 -3.44 4.31 4.27 -1.26 -4.67 117.44 116.74 2ple n TRP 11 Ca 0.00 -0.04 -0.43 0.00 -3.89 0.00 0.00 57.50 53.13 2ple n TRP 11 Cb 0.00 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.86 2ple n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2ple s TYR 12 N -1.91 3.25 0.20 -2.67 5.04 -1.23 -1.39 117.35 118.64 2ple s TYR 12 Ca 0.07 -0.83 0.05 0.00 -2.44 0.00 0.00 57.07 53.92 2ple s TYR 12 Cb 0.04 -2.89 -0.03 0.00 0.35 0.00 0.00 41.96 39.42 2ple s TYR 12 CO 0.05 -0.71 0.27 -1.01 -1.34 0.00 0.00 175.55 172.81 2ple s HIS 13 N 1.64 3.35 0.00 4.97 3.76 -0.70 -4.93 115.29 123.39 2ple s HIS 13 Ca 0.04 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2ple s HIS 13 Cb -0.22 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2ple s HIS 13 CO 0.08 0.49 0.00 0.00 -0.85 0.00 0.00 174.74 174.46 2ple n ALA 14 N -0.94 0.00 -3.56 -1.40 0.00 -1.26 -1.33 120.51 112.01 2ple n ALA 14 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2ple n ALA 14 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 2ple n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ple s SER 15 N -1.68 4.39 0.00 0.00 0.15 -1.21 -2.13 113.70 113.21 2ple s SER 15 Ca 0.00 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2ple s SER 15 Cb 0.00 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2ple s SER 15 CO 0.00 -0.09 0.00 0.18 1.20 0.00 0.00 173.24 174.53 2ple n LEU 16 N 4.75 0.00 -4.92 3.45 4.32 -1.26 -4.97 117.00 118.37 2ple n LEU 16 Ca -0.17 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.55 2ple n LEU 16 Cb 0.49 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.33 2ple n LEU 16 CO 0.28 0.00 0.59 -0.89 -1.22 0.00 0.00 177.39 176.16 2ple s THR 17 N 3.31 3.18 -1.92 -5.08 2.01 -1.26 -4.85 115.64 111.02 2ple s THR 17 Ca 0.00 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.02 2ple s THR 17 Cb 0.00 -3.31 0.09 0.00 0.01 0.00 0.00 72.50 69.29 2ple s THR 17 CO 0.00 -0.34 1.04 -2.11 -0.69 0.00 0.00 174.62 172.52 2ple n ARG 18 N -2.76 1.25 -0.50 4.92 0.00 -1.26 -3.59 116.66 114.72 2ple n ARG 18 Ca 0.06 -0.35 0.00 0.00 -0.00 0.00 0.00 57.85 57.56 2ple n ARG 18 Cb 0.58 -1.11 0.00 0.00 -0.00 0.00 0.00 32.46 31.93 2ple n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ple n ALA 19 N -0.19 1.99 -0.02 2.89 0.00 -1.26 -4.91 120.51 119.01 2ple n ALA 19 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 2ple n ALA 19 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2ple n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ple n GLN 20 N 0.00 2.49 0.21 0.00 1.13 -1.24 -4.52 117.38 115.46 2ple n GLN 20 Ca 0.00 -0.01 0.06 0.00 -1.94 0.00 0.00 57.00 55.11 2ple n GLN 20 Cb 0.54 -1.15 0.45 0.00 0.11 0.00 0.00 30.24 30.20 2ple n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ple h ALA 21 N 0.34 1.25 -0.07 -1.58 0.00 -1.91 -2.89 119.26 114.40 2ple h ALA 21 Ca -0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2ple h ALA 21 Cb 1.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ple h ALA 21 CO 0.01 0.37 -0.04 0.93 0.00 0.00 0.00 179.25 180.52 2ple h GLU 22 N 0.00 0.16 -0.84 0.00 3.07 -1.91 -2.37 114.58 112.69 2ple h GLU 22 Ca -0.00 -0.07 0.07 0.00 -0.50 0.00 0.00 59.36 58.86 2ple h GLU 22 Cb 0.63 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.47 2ple h GLU 22 CO 0.04 0.55 0.50 1.25 -1.40 0.00 0.00 179.01 179.95 2ple h HIS 23 N -0.23 0.92 -0.39 4.33 2.76 -1.76 -1.57 115.15 119.21 2ple h HIS 23 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2ple h HIS 23 Cb 0.50 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2ple h HIS 23 CO 0.07 0.43 0.20 0.52 -1.30 0.00 0.00 177.93 177.85 2ple h MET 24 N 0.89 0.55 0.00 5.26 2.86 -1.43 -0.55 114.93 122.51 2ple h MET 24 Ca 0.38 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2ple h MET 24 Cb 0.25 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2ple h MET 24 CO -0.20 0.48 0.00 -0.07 1.06 0.00 0.00 176.91 178.17 2ple h LEU 25 N 0.49 0.00 0.00 1.22 3.38 -0.81 -0.83 115.31 118.77 2ple h LEU 25 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2ple h LEU 25 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2ple h LEU 25 CO -0.02 0.00 -1.10 -0.03 0.09 0.00 0.00 178.44 177.38 2ple h MET 26 N 0.00 0.00 -0.98 1.13 4.05 -0.22 -3.33 114.93 115.59 2ple h MET 26 Ca 0.00 0.00 -0.43 0.00 -0.28 0.00 0.00 59.70 58.99 2ple h MET 26 Cb 0.13 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 30.68 2ple h MET 26 CO 0.00 0.40 0.54 0.54 0.23 0.00 0.00 176.91 178.63 2ple n ARG 27 N -3.03 2.26 -3.90 0.39 5.12 -0.32 -4.92 116.66 112.26 2ple n ARG 27 Ca -0.05 -2.66 -0.22 0.00 -1.93 0.00 0.00 57.85 52.99 2ple n ARG 27 Cb 0.82 -2.05 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 2ple n ARG 27 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2ple s VAL 28 N -2.88 3.61 -0.06 1.55 -7.23 -1.18 -4.99 120.40 109.21 2ple s VAL 28 Ca 0.50 -1.43 -0.00 0.00 -1.81 0.00 0.00 61.98 59.24 2ple s VAL 28 Cb 0.42 -3.19 0.05 0.00 0.56 0.00 0.00 36.38 34.22 2ple s VAL 28 CO 0.10 -0.21 1.82 -0.81 -0.31 0.00 0.00 175.10 175.69 2ple n PRO 29 N -1.31 1.15 -2.67 4.82 -0.04 -1.26 -4.02 135.00 131.68 2ple n PRO 29 Ca -0.03 -0.30 -0.04 0.00 -0.04 0.00 0.00 63.50 63.09 2ple n PRO 29 Cb 0.60 -1.12 0.09 0.00 -0.04 0.00 0.00 33.50 33.03 2ple n PRO 29 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2ple n ARG 30 N 1.09 0.25 -1.52 0.54 1.85 -1.26 -4.64 116.66 112.96 2ple n ARG 30 Ca 0.06 -0.83 -0.35 0.00 -1.00 0.00 0.00 57.85 55.72 2ple n ARG 30 Cb 0.53 -0.20 -0.11 0.00 -1.05 0.00 0.00 32.46 31.64 2ple n ARG 30 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2ple n ASP 31 N 0.28 0.98 0.00 2.89 9.92 -1.26 -4.25 116.55 125.11 2ple n ASP 31 Ca -0.09 -0.26 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 2ple n ASP 31 Cb 0.74 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 2ple n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ple n GLY 32 N 6.25 2.56 3.59 0.44 0.00 -1.26 -3.51 105.19 113.26 2ple n GLY 32 Ca 0.54 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 2ple n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ple s ALA 33 N 0.00 -2.00 -0.06 4.61 0.00 -0.59 -4.63 121.76 119.08 2ple s ALA 33 Ca 0.00 1.60 -0.23 0.00 0.00 0.00 0.00 51.96 53.33 2ple s ALA 33 Cb 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2ple s ALA 33 CO 0.00 -0.41 0.68 -0.59 0.00 0.00 0.00 175.76 175.44 2ple s PHE 34 N -1.64 3.58 0.08 0.00 -0.71 -0.92 -1.13 117.98 117.24 2ple s PHE 34 Ca 0.04 1.22 -0.09 0.00 -1.04 0.00 0.00 56.93 57.07 2ple s PHE 34 Cb -0.01 -2.78 0.00 0.00 -1.21 0.00 0.00 43.02 39.03 2ple s PHE 34 CO -0.03 0.11 0.20 -0.51 -1.34 0.00 0.00 175.22 173.64 2ple s LEU 35 N 0.72 1.37 0.28 -1.99 1.43 0.49 -4.95 118.68 116.03 2ple s LEU 35 Ca 0.36 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2ple s LEU 35 Cb -0.18 1.05 -0.06 0.00 0.03 0.00 0.00 46.19 47.04 2ple s LEU 35 CO 0.18 -0.70 0.01 -0.69 0.23 0.00 0.00 176.35 175.38 2ple s VAL 36 N -3.57 1.23 0.25 -1.59 1.01 -0.48 0.43 120.40 117.68 2ple s VAL 36 Ca 0.03 -2.04 -0.20 0.00 0.00 0.00 0.00 61.98 59.76 2ple s VAL 36 Cb 0.03 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.95 2ple s VAL 36 CO -0.09 -0.19 0.97 0.00 0.00 0.00 0.00 175.10 175.78 2ple s ARG 37 N -3.84 1.60 -0.09 2.72 1.70 0.11 -1.72 118.95 119.43 2ple s ARG 37 Ca 0.32 -1.04 0.01 0.00 -0.47 0.00 0.00 55.73 54.55 2ple s ARG 37 Cb 0.06 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.86 2ple s ARG 37 CO 0.12 -0.75 -0.12 0.21 -1.08 0.00 0.00 175.30 173.68 2ple s LYS 38 N -2.11 2.98 0.00 3.89 2.47 -0.44 -1.75 119.74 124.77 2ple s LYS 38 Ca 0.21 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 53.97 2ple s LYS 38 Cb -0.03 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.78 2ple s LYS 38 CO 0.07 0.45 0.00 -2.13 0.16 0.00 0.00 175.35 173.90 2ple n ARG 39 N 2.85 -0.48 -0.73 4.03 3.00 -1.26 -3.36 116.66 120.71 2ple n ARG 39 Ca -0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.54 2ple n ARG 39 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.04 2ple n ARG 39 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2ple n ASN 40 N -2.92 5.19 -4.17 6.15 2.85 -1.26 -4.68 115.26 116.43 2ple n ASN 40 Ca 0.00 -2.88 -0.11 0.00 -0.11 0.00 0.00 54.58 51.49 2ple n ASN 40 Cb 0.00 -0.90 -0.10 0.00 1.24 0.00 0.00 39.78 40.02 2ple n ASN 40 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2ple s GLU 41 N -1.55 0.92 0.00 1.20 2.02 -1.26 -5.02 118.70 115.01 2ple s GLU 41 Ca 0.26 -1.42 0.29 0.00 0.02 0.00 0.00 54.97 54.12 2ple s GLU 41 Cb 0.21 0.01 1.42 0.00 0.10 0.00 0.00 34.13 35.88 2ple s GLU 41 CO 0.02 -0.16 1.99 -0.35 0.02 0.00 0.00 175.26 176.77 2ple n PRO 42 N -0.10 0.36 -4.11 0.39 -0.04 -1.26 -4.82 135.00 125.42 2ple n PRO 42 Ca -0.08 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 2ple n PRO 42 Cb 0.63 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 2ple n PRO 42 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2ple s ASN 43 N -2.62 0.73 0.25 3.54 0.01 -1.26 -5.09 114.94 110.49 2ple s ASN 43 Ca 0.26 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 2ple s ASN 43 Cb 0.19 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.99 2ple s ASN 43 CO 0.45 -0.49 0.00 -1.54 -1.51 0.00 0.00 177.10 174.01 2ple n SER 44 N 0.31 -4.95 0.00 -1.22 3.41 -1.26 -4.88 113.62 105.03 2ple n SER 44 Ca -0.15 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2ple n SER 44 Cb 0.60 -1.90 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 2ple n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2ple n TYR 45 N -0.77 0.00 -3.53 7.33 4.02 -0.78 -4.17 117.16 119.26 2ple n TYR 45 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 2ple n TYR 45 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 2ple n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ple s ALA 46 N -2.02 -1.99 -0.64 -0.72 0.00 -0.72 -2.23 121.76 113.45 2ple s ALA 46 Ca 0.00 2.13 -0.22 0.00 0.00 0.00 0.00 51.96 53.87 2ple s ALA 46 Cb 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 23.12 21.37 2ple s ALA 46 CO 0.00 -1.01 0.91 0.42 0.00 0.00 0.00 175.76 176.08 2ple s ILE 47 N 2.86 4.42 -0.22 0.00 1.01 0.97 -0.71 121.20 129.52 2ple s ILE 47 Ca 0.01 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 2ple s ILE 47 Cb -0.13 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.68 2ple s ILE 47 CO -0.19 -1.36 0.54 -0.94 0.00 0.00 0.00 174.94 172.99 2ple s SER 48 N 3.57 6.55 -0.04 3.58 1.04 0.17 0.01 113.70 128.58 2ple s SER 48 Ca 0.21 0.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.29 2ple s SER 48 Cb -0.18 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.68 2ple s SER 48 CO 0.10 -0.23 0.07 0.72 0.98 0.00 0.00 173.24 174.88 2ple s PHE 49 N 1.89 -0.02 0.37 5.02 -0.71 -0.96 -0.38 117.98 123.18 2ple s PHE 49 Ca 0.24 0.27 -0.22 0.00 -1.04 0.00 0.00 56.93 56.18 2ple s PHE 49 Cb -0.15 -0.24 -0.10 0.00 -1.21 0.00 0.00 43.02 41.31 2ple s PHE 49 CO 0.09 -0.14 0.91 0.50 -1.34 0.00 0.00 175.22 175.25 2ple s ARG 50 N 1.36 4.33 -0.62 1.99 6.06 -0.28 -2.09 118.95 129.70 2ple s ARG 50 Ca -0.06 1.12 0.06 0.00 -2.50 0.00 0.00 55.73 54.35 2ple s ARG 50 Cb -0.12 -2.46 0.23 0.00 0.06 0.00 0.00 34.95 32.65 2ple s ARG 50 CO -0.04 0.12 0.64 0.00 -2.50 0.00 0.00 175.30 173.53 2ple n ALA 51 N -0.11 3.67 -0.87 6.12 0.00 -1.13 -1.55 120.51 126.64 2ple n ALA 51 Ca 0.04 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.00 2ple n ALA 51 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2ple n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ple n GLU 52 N 1.28 0.00 -1.40 0.00 -0.58 -1.23 -0.97 120.64 117.74 2ple n GLU 52 Ca 0.26 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.85 2ple n GLU 52 Cb 0.41 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.38 2ple n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ple n GLY 53 N 0.00 5.78 2.68 0.62 0.00 -1.26 -4.61 105.19 108.39 2ple n GLY 53 Ca 0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.48 0.90 0.07 1.61 3.01 -0.14 -5.11 119.74 116.60 2ple s LYS 54 Ca 0.49 -1.30 -0.36 0.00 -1.01 0.00 0.00 55.97 53.78 2ple s LYS 54 Cb 0.41 -0.63 -0.16 0.00 -1.01 0.00 0.00 37.83 36.44 2ple s LYS 54 CO 0.00 -1.31 1.45 -0.89 0.51 0.00 0.00 175.35 175.11 2ple n ILE 55 N 3.31 0.04 -3.59 2.17 5.41 -1.26 -2.84 119.36 122.60 2ple n ILE 55 Ca 0.20 -0.01 -0.29 0.00 1.00 0.00 0.00 62.75 63.65 2ple n ILE 55 Cb 0.51 -1.06 -0.15 0.00 -0.71 0.00 0.00 39.64 38.23 2ple n ILE 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2ple s LYS 56 N 0.92 0.41 0.70 0.38 1.02 -0.89 -4.87 119.74 117.41 2ple s LYS 56 Ca 0.84 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 2ple s LYS 56 Cb -0.89 -1.43 0.11 0.00 -0.52 0.00 0.00 37.83 35.10 2ple s LYS 56 CO 0.46 -1.04 0.96 -1.01 -0.92 0.00 0.00 175.35 173.81 2ple s HIS 57 N 1.80 1.81 0.10 3.18 3.76 -1.26 -2.28 115.29 122.40 2ple s HIS 57 Ca 0.11 -0.22 -0.14 0.00 -0.15 0.00 0.00 55.06 54.66 2ple s HIS 57 Cb -0.17 -2.96 0.03 0.00 1.11 0.00 0.00 32.58 30.58 2ple s HIS 57 CO -0.28 -1.58 0.34 0.00 -0.85 0.00 0.00 174.74 172.37 2ple s ARG 59 N -3.60 1.41 -0.04 0.00 0.52 -1.26 -0.02 118.95 115.96 2ple s ARG 59 Ca 0.02 -0.25 -0.06 0.00 -0.52 0.00 0.00 55.73 54.92 2ple s ARG 59 Cb 0.02 -1.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 2ple s ARG 59 CO -0.10 -0.15 0.21 0.54 0.02 0.00 0.00 175.30 175.82 2ple s VAL 60 N 1.29 5.39 0.28 3.52 0.11 -0.95 -4.93 120.40 125.11 2ple s VAL 60 Ca -0.03 0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.20 2ple s VAL 60 Cb -0.14 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2ple s VAL 60 CO -0.03 0.44 0.18 -1.58 -3.33 0.00 0.00 175.10 170.78 2ple s GLN 61 N -1.57 2.76 0.29 1.54 0.74 -0.93 -1.87 119.66 120.61 2ple s GLN 61 Ca 0.24 -1.19 0.03 0.00 0.05 0.00 0.00 55.36 54.49 2ple s GLN 61 Cb -0.13 -2.46 -0.06 0.00 1.10 0.00 0.00 33.01 31.46 2ple s GLN 61 CO 0.13 0.32 0.04 -1.14 -0.55 0.00 0.00 175.29 174.09 2ple s GLN 62 N -3.85 1.52 0.00 1.67 0.74 -1.26 -1.40 119.66 117.08 2ple s GLN 62 Ca 0.35 -1.82 0.00 0.00 0.05 0.00 0.00 55.36 53.94 2ple s GLN 62 Cb -0.07 -0.72 0.00 0.00 1.10 0.00 0.00 33.01 33.32 2ple s GLN 62 CO 0.24 -0.17 0.00 -1.91 -0.55 0.00 0.00 175.29 172.91 2ple n GLU 63 N -0.57 1.05 -0.70 1.67 4.07 0.13 -4.74 120.64 121.54 2ple n GLU 63 Ca -0.03 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.03 2ple n GLU 63 Cb 0.66 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 32.25 2ple n GLU 63 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ple n GLY 64 N 2.04 2.99 0.70 8.31 0.00 -1.26 -4.47 105.19 113.50 2ple n GLY 64 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2ple n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ple n GLN 65 N 0.00 0.00 -4.42 1.61 10.64 -1.26 -5.15 117.38 118.81 2ple n GLN 65 Ca 0.28 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.24 2ple n GLN 65 Cb 1.06 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 30.34 2ple n GLN 65 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2ple s THR 66 N -1.50 0.83 -0.09 -0.39 2.01 -1.26 -5.06 115.64 110.19 2ple s THR 66 Ca 0.00 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 2ple s THR 66 Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2ple s THR 66 CO 0.00 0.00 -0.02 0.54 -0.69 0.00 0.00 174.62 174.45 2ple s VAL 67 N -3.43 4.11 -0.37 3.82 0.11 -1.09 -0.70 120.40 122.85 2ple s VAL 67 Ca 0.34 -0.32 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 2ple s VAL 67 Cb 0.07 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 2ple s VAL 67 CO 0.15 0.60 0.25 -0.04 -3.33 0.00 0.00 175.10 172.72 2ple s MET 68 N -0.77 3.19 0.00 1.54 -1.94 -0.50 -1.38 119.30 119.44 2ple s MET 68 Ca 0.12 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2ple s MET 68 Cb -0.11 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 32.90 2ple s MET 68 CO 0.02 -0.59 0.00 -0.11 -0.01 0.00 0.00 175.02 174.33 2ple n LEU 69 N 5.09 0.00 0.00 -0.03 -0.00 -1.04 -2.18 117.00 118.84 2ple n LEU 69 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2ple n LEU 69 Cb 0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2ple n LEU 69 CO 0.38 -0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 2ple n GLY 70 N 3.49 0.78 0.85 -3.96 0.00 -1.26 -4.82 105.19 100.27 2ple n GLY 70 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2ple n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ple n ASN 71 N 0.00 2.42 -1.33 1.61 0.23 -1.26 -4.89 115.26 112.04 2ple n ASN 71 Ca 0.00 -2.18 -0.02 0.00 -0.53 0.00 0.00 54.58 51.85 2ple n ASN 71 Cb 0.00 -0.38 -0.00 0.00 -2.08 0.00 0.00 39.78 37.32 2ple n ASN 71 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2ple n SER 72 N 0.43 -0.25 -4.34 0.53 3.41 -1.26 -5.16 113.62 106.97 2ple n SER 72 Ca 0.12 -1.31 -0.31 0.00 -0.26 0.00 0.00 58.87 57.11 2ple n SER 72 Cb 0.46 0.46 -0.15 0.00 -0.26 0.00 0.00 64.21 64.71 2ple n SER 72 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2ple s GLU 73 N -2.12 2.14 0.47 4.33 -1.05 -1.26 -2.50 118.70 118.71 2ple s GLU 73 Ca 0.05 -0.91 0.06 0.00 -0.15 0.00 0.00 54.97 54.02 2ple s GLU 73 Cb -0.00 -2.09 -0.01 0.00 -0.44 0.00 0.00 34.13 31.59 2ple s GLU 73 CO 0.03 0.57 0.30 0.12 0.95 0.00 0.00 175.26 177.23 2ple s PHE 74 N -0.65 2.21 -0.48 4.83 5.36 -0.48 -4.87 117.98 123.89 2ple s PHE 74 Ca 0.10 -0.69 0.26 0.00 -0.96 0.00 0.00 56.93 55.65 2ple s PHE 74 Cb -0.10 -1.97 0.86 0.00 -0.34 0.00 0.00 43.02 41.47 2ple s PHE 74 CO -0.00 -0.13 1.76 -0.44 -1.46 0.00 0.00 175.22 174.94 2ple h ASP 75 N 1.07 0.00 0.00 6.13 5.19 -1.97 -2.88 116.42 123.96 2ple h ASP 75 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2ple h ASP 75 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2ple h ASP 75 CO 0.63 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.21 2ple n SER 76 N -2.52 0.00 0.13 6.45 3.41 -1.26 -4.80 113.62 115.02 2ple n SER 76 Ca 0.04 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.83 2ple n SER 76 Cb 0.37 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.95 2ple n SER 76 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2ple h LEU 77 N 0.00 0.00 0.90 1.04 -0.00 -1.97 -0.81 115.31 114.47 2ple h LEU 77 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2ple h LEU 77 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2ple h LEU 77 CO 0.00 0.00 -0.43 0.58 -0.00 0.00 0.00 178.44 178.59 2ple h VAL 78 N 0.00 0.03 0.00 0.15 2.07 -1.96 -1.92 116.25 114.63 2ple h VAL 78 Ca 0.18 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2ple h VAL 78 Cb 1.41 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2ple h VAL 78 CO -0.00 0.00 -0.03 0.44 0.02 0.00 0.00 177.57 178.00 2ple h ASP 79 N -1.30 0.00 -0.34 0.57 3.32 -1.56 -1.09 116.42 116.02 2ple h ASP 79 Ca -0.12 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 2ple h ASP 79 Cb 0.93 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2ple h ASP 79 CO 0.20 0.03 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.65 2ple h LEU 80 N 0.00 0.70 0.02 1.55 3.38 -0.81 -2.32 115.31 117.82 2ple h LEU 80 Ca -0.00 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.56 2ple h LEU 80 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2ple h LEU 80 CO 0.00 0.79 -1.08 0.40 0.09 0.00 0.00 178.44 178.64 2ple h ILE 81 N 0.67 1.60 -0.05 1.22 5.03 -0.47 -2.45 117.51 123.06 2ple h ILE 81 Ca 0.13 -3.17 0.04 0.00 -0.12 0.00 0.00 64.86 61.73 2ple h ILE 81 Cb 0.47 2.84 -0.06 0.00 -3.03 0.00 0.00 36.82 37.04 2ple h ILE 81 CO 0.02 0.92 -0.41 -1.28 -0.68 0.00 0.00 178.15 176.72 2ple h SER 82 N 0.04 -1.26 0.99 1.72 0.87 -0.82 0.50 113.55 115.59 2ple h SER 82 Ca -0.07 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2ple h SER 82 Cb 1.82 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 64.28 2ple h SER 82 CO 0.16 -0.44 -0.03 0.00 -0.53 0.00 0.00 176.83 175.99 2ple n TYR 83 N -5.44 0.04 0.20 2.24 4.11 -1.09 -3.21 117.16 114.02 2ple n TYR 83 Ca -0.05 0.01 0.07 0.00 -0.00 0.00 0.00 57.90 57.93 2ple n TYR 83 Cb 0.36 -0.50 0.42 0.00 -0.00 0.00 0.00 39.34 39.62 2ple n TYR 83 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 2ple h TYR 84 N 0.00 0.00 0.00 -3.48 3.20 -0.41 -0.67 116.97 115.61 2ple h TYR 84 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ple h TYR 84 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2ple h TYR 84 CO 0.00 0.31 0.00 0.39 -1.64 0.00 0.00 178.16 177.22 2ple n GLU 85 N -3.61 0.09 0.00 1.82 1.02 -0.83 -2.10 120.64 117.03 2ple n GLU 85 Ca -0.01 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2ple n GLU 85 Cb 0.44 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2ple n GLU 85 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2ple n LYS 86 N -1.90 4.18 -4.46 3.49 2.85 -0.86 -5.02 118.16 116.43 2ple n LYS 86 Ca 0.01 -0.07 -0.23 0.00 -1.05 0.00 0.00 58.31 56.97 2ple n LYS 86 Cb 0.09 -0.46 -0.10 0.00 -0.65 0.00 0.00 35.03 33.91 2ple n LYS 86 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2ple s HIS 87 N -0.62 2.13 0.80 5.58 3.76 -0.32 -5.15 115.29 121.48 2ple s HIS 87 Ca 0.00 -0.54 -0.11 0.00 -0.15 0.00 0.00 55.06 54.26 2ple s HIS 87 Cb 0.00 -1.13 0.09 0.00 1.11 0.00 0.00 32.58 32.65 2ple s HIS 87 CO 0.00 0.48 1.16 -1.25 -0.85 0.00 0.00 174.74 174.27 2ple s PRO 88 N -3.63 1.85 0.11 8.40 0.04 -1.26 -4.61 135.00 135.90 2ple s PRO 88 Ca 0.30 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2ple s PRO 88 Cb 0.01 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2ple s PRO 88 CO 0.13 -1.61 0.00 -0.11 0.04 0.00 0.00 177.00 175.45 2ple n LEU 89 N -3.28 0.28 -5.00 -3.56 0.00 -0.95 -4.97 117.00 99.52 2ple n LEU 89 Ca 0.09 0.18 -0.20 0.00 0.00 0.00 0.00 56.01 56.08 2ple n LEU 89 Cb 0.61 0.02 0.05 0.00 0.00 0.00 0.00 43.42 44.09 2ple n LEU 89 CO 0.54 -0.66 0.34 -0.47 0.00 0.00 0.00 177.39 177.15 2ple s TYR 90 N -1.57 2.20 -0.98 1.96 5.04 -1.25 -4.94 117.35 117.80 2ple s TYR 90 Ca 0.00 -0.35 0.07 0.00 -2.44 0.00 0.00 57.07 54.35 2ple s TYR 90 Cb 0.00 -2.57 0.30 0.00 0.35 0.00 0.00 41.96 40.04 2ple s TYR 90 CO 0.00 -1.01 1.22 0.54 -1.34 0.00 0.00 175.55 174.97 2ple n ARG 91 N -2.29 0.00 -2.72 4.97 3.00 -1.26 -2.85 116.66 115.50 2ple n ARG 91 Ca 0.11 0.39 -0.05 0.00 -0.01 0.00 0.00 57.85 58.29 2ple n ARG 91 Cb 0.60 -1.51 0.06 0.00 0.00 0.00 0.00 32.46 31.61 2ple n ARG 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2ple n LYS 92 N -1.52 1.37 -3.73 5.56 0.00 -1.26 -5.08 118.16 113.50 2ple n LYS 92 Ca 0.02 -2.85 -0.15 0.00 -0.00 0.00 0.00 58.31 55.33 2ple n LYS 92 Cb 0.08 -0.96 -0.15 0.00 -0.00 0.00 0.00 35.03 34.00 2ple n LYS 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2ple s MET 93 N -2.41 0.05 -0.45 -1.58 1.75 -1.13 -5.05 119.30 110.48 2ple s MET 93 Ca 0.24 0.39 0.07 0.00 -1.25 0.00 0.00 55.69 55.14 2ple s MET 93 Cb 0.40 -0.23 0.29 0.00 2.84 0.00 0.00 34.83 38.13 2ple s MET 93 CO -0.03 -0.21 0.92 1.63 -0.65 0.00 0.00 175.02 176.68 2ple n LYS 94 N 4.53 0.89 -2.41 4.11 5.02 -1.26 -2.24 118.16 126.80 2ple n LYS 94 Ca -0.20 -2.21 -0.07 0.00 -2.02 0.00 0.00 58.31 53.80 2ple n LYS 94 Cb 0.51 -1.30 -0.00 0.00 -0.02 0.00 0.00 35.03 34.22 2ple n LYS 94 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ple n LEU 95 N 0.91 -0.69 0.00 -0.35 7.99 -1.26 -4.73 117.00 118.87 2ple n LEU 95 Ca 0.11 0.31 0.13 0.00 -0.01 0.00 0.00 56.01 56.56 2ple n LEU 95 Cb 0.65 -1.68 0.75 0.00 -0.11 0.00 0.00 43.42 43.03 2ple n LEU 95 CO 0.08 -0.09 0.97 -1.14 -1.51 0.00 0.00 177.39 175.70 2ple n ARG 96 N -2.64 0.63 -3.57 3.23 3.00 -1.26 -4.03 116.66 112.03 2ple n ARG 96 Ca -0.09 0.02 -0.27 0.00 -0.00 0.00 0.00 57.85 57.51 2ple n ARG 96 Cb 0.55 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 31.42 2ple n ARG 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2ple n TYR 97 N -1.14 2.79 -0.36 -0.14 4.01 -1.26 -4.99 117.16 116.06 2ple n TYR 97 Ca 0.17 -4.09 0.00 0.00 -0.16 0.00 0.00 57.90 53.81 2ple n TYR 97 Cb 0.15 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 2ple n TYR 97 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2ple n PRO 98 N 1.44 1.07 -2.48 -0.72 -0.04 -1.26 -2.16 135.00 130.85 2ple n PRO 98 Ca 0.26 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 2ple n PRO 98 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 2ple n PRO 98 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ple s ILE 99 N 0.09 3.82 -0.16 0.52 -1.16 -1.26 -4.81 121.20 118.23 2ple s ILE 99 Ca 0.00 1.54 -0.04 0.00 -0.51 0.00 0.00 60.65 61.64 2ple s ILE 99 Cb 0.00 -3.98 0.08 0.00 0.61 0.00 0.00 42.46 39.17 2ple s ILE 99 CO 0.00 0.25 0.24 0.21 -2.81 0.00 0.00 174.94 172.83 2ple s ASN 100 N 0.03 0.77 0.00 4.50 3.04 -1.26 -4.75 114.94 117.27 2ple s ASN 100 Ca 0.51 0.24 0.17 0.00 0.04 0.00 0.00 52.86 53.81 2ple s ASN 100 Cb -0.30 0.57 0.28 0.00 -1.54 0.00 0.00 41.25 40.25 2ple s ASN 100 CO 0.35 -0.28 1.09 1.21 -3.04 0.00 0.00 177.10 176.44 2ple n GLU 101 N 5.34 0.00 0.05 0.43 2.13 -1.26 -4.54 120.64 122.79 2ple n GLU 101 Ca -0.05 -1.61 0.00 0.00 0.66 0.00 0.00 57.16 56.15 2ple n GLU 101 Cb 0.50 -0.09 0.00 0.00 0.27 0.00 0.00 31.44 32.11 2ple n GLU 101 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2ple n GLU 102 N 0.32 0.00 -2.74 5.31 0.28 -1.26 -5.06 120.64 117.48 2ple n GLU 102 Ca 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.98 2ple n GLU 102 Cb 0.98 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.87 2ple n GLU 102 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2ple n ASN 103 N -3.03 -3.08 -4.56 -1.84 3.02 -1.26 -5.08 115.26 99.44 2ple n ASN 103 Ca 0.00 -2.57 -0.34 0.00 -0.03 0.00 0.00 54.58 51.64 2ple n ASN 103 Cb 0.00 1.57 -0.04 0.00 -0.61 0.00 0.00 39.78 40.70 2ple n ASN 103 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ple s SER 104 N 0.81 5.85 0.00 6.41 1.04 -1.26 -5.10 113.70 121.46 2ple s SER 104 Ca 0.29 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2ple s SER 104 Cb 0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2ple s SER 104 CO -0.07 -2.12 0.00 -1.54 0.98 0.00 0.00 173.24 170.49