#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ple s SER 2 N 0.00 6.42 0.32 1.61 0.01 -1.26 -5.10 113.70 115.69 2ple s SER 2 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2ple s SER 2 Cb 0.00 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2ple s SER 2 CO 0.00 0.21 0.00 -0.81 0.41 0.00 0.00 173.24 173.05 2ple n PRO 3 N 0.74 0.65 0.06 12.44 -0.04 -1.26 -4.98 135.00 142.62 2ple n PRO 3 Ca -0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 2ple n PRO 3 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 2ple n PRO 3 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2ple h GLY 4 N -0.01 -1.04 0.00 0.55 0.00 -2.02 -3.45 103.07 97.10 2ple h GLY 4 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2ple h GLY 4 CO 0.00 -0.35 0.00 1.39 0.00 0.00 0.00 176.54 177.58 2ple n ILE 5 N -3.31 0.00 -2.96 2.60 5.41 -1.26 -5.17 119.36 114.68 2ple n ILE 5 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2ple n ILE 5 Cb 0.13 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 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 -0.11 -0.02 -3.99 1.39 -0.00 -1.26 -5.07 115.22 106.16 2ple n HIS 6 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2ple n HIS 6 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 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 0.66 3.15 0.03 1.57 -1.05 -1.26 -5.09 118.70 116.71 2ple s GLU 7 Ca 0.00 -0.59 -0.04 0.00 -0.15 0.00 0.00 54.97 54.19 2ple s GLU 7 Cb 0.00 -2.87 0.02 0.00 -0.44 0.00 0.00 34.13 30.84 2ple s GLU 7 CO 0.00 0.58 0.21 -1.13 0.95 0.00 0.00 175.26 175.86 2ple n SER 8 N 0.27 -0.31 -4.44 0.83 3.41 -1.26 -5.14 113.62 106.98 2ple n SER 8 Ca -0.07 -1.15 -0.31 0.00 -0.26 0.00 0.00 58.87 57.09 2ple n SER 8 Cb 0.52 0.50 0.20 0.00 -0.26 0.00 0.00 64.21 65.17 2ple n SER 8 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ple n LYS 9 N -0.15 -1.62 -3.30 4.33 4.01 -1.26 -3.93 118.16 116.24 2ple n LYS 9 Ca -0.00 -0.44 -0.12 0.00 -0.51 0.00 0.00 58.31 57.24 2ple n LYS 9 Cb 0.11 -2.03 0.03 0.00 -0.51 0.00 0.00 35.03 32.63 2ple n LYS 9 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2ple n GLU 10 N -3.60 -1.58 0.01 1.97 1.02 -1.26 -4.80 120.64 112.40 2ple n GLU 10 Ca 0.04 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 2ple n GLU 10 Cb 0.56 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 2ple n GLU 10 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2ple n TRP 11 N -2.68 -0.92 -4.26 -0.32 -0.00 -1.25 -5.13 117.44 102.87 2ple n TRP 11 Ca -0.07 0.05 -0.15 0.00 -0.00 0.00 0.00 57.50 57.33 2ple n TRP 11 Cb 0.57 0.27 -0.10 0.00 -0.00 0.00 0.00 31.31 32.05 2ple n TRP 11 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 177.69 179.21 2ple s TYR 12 N -1.27 1.33 0.15 5.87 1.13 -1.26 -2.39 117.35 120.92 2ple s TYR 12 Ca 0.00 -0.72 0.11 0.00 -1.41 0.00 0.00 57.07 55.05 2ple s TYR 12 Cb 0.00 -0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 40.15 2ple s TYR 12 CO 0.00 0.12 -0.23 -1.01 -2.51 0.00 0.00 175.55 171.92 2ple s HIS 13 N -3.19 2.37 0.00 -3.49 3.76 -0.50 -4.92 115.29 109.32 2ple s HIS 13 Ca 0.17 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 2ple s HIS 13 Cb 0.02 -1.23 0.00 0.00 1.11 0.00 0.00 32.58 32.47 2ple s HIS 13 CO 0.02 0.41 0.00 0.00 -0.85 0.00 0.00 174.74 174.32 2ple n ALA 14 N 0.61 0.00 -3.54 -1.40 0.00 -1.26 -1.97 120.51 112.95 2ple n ALA 14 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2ple n ALA 14 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.72 -0.56 0.30 0.00 0.15 -1.26 -2.35 113.70 108.25 2ple s SER 15 Ca 0.00 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2ple s SER 15 Cb 0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2ple s SER 15 CO 0.00 -0.50 0.00 0.00 1.20 0.00 0.00 173.24 173.94 2ple n LEU 16 N 0.92 -0.49 -3.65 3.45 -0.00 -1.26 -5.12 117.00 110.85 2ple n LEU 16 Ca -0.16 0.51 -0.07 0.00 -0.00 0.00 0.00 56.01 56.30 2ple n LEU 16 Cb 0.57 0.68 -0.02 0.00 -0.00 0.00 0.00 43.42 44.65 2ple n LEU 16 CO 0.20 -0.70 0.61 -0.89 -0.00 0.00 0.00 177.39 176.62 2ple s THR 17 N -2.00 0.00 -2.14 1.47 2.01 -1.26 -4.96 115.64 108.75 2ple s THR 17 Ca 0.00 -0.43 0.27 0.00 0.31 0.00 0.00 61.69 61.84 2ple s THR 17 Cb 0.00 -1.56 0.71 0.00 0.01 0.00 0.00 72.50 71.66 2ple s THR 17 CO 0.00 0.00 1.95 0.54 -0.69 0.00 0.00 174.62 176.42 2ple n ARG 18 N -0.39 1.23 -0.09 4.92 1.74 -1.26 -3.56 116.66 119.25 2ple n ARG 18 Ca -0.08 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 2ple n ARG 18 Cb 0.61 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2ple n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ple n ALA 19 N -0.56 1.18 -0.01 7.54 0.00 -1.26 -4.83 120.51 122.58 2ple n ALA 19 Ca 0.20 -0.54 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 2ple n ALA 19 Cb 0.18 -0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 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 0.71 0.15 0.00 6.02 -1.23 -3.44 117.38 119.59 2ple n GLN 20 Ca 0.00 0.27 0.02 0.00 -0.01 0.00 0.00 57.00 57.28 2ple n GLN 20 Cb 0.53 -1.74 0.17 0.00 1.02 0.00 0.00 30.24 30.22 2ple n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ple h ALA 21 N 0.42 0.83 0.00 -1.58 0.00 -1.89 -2.37 119.26 114.66 2ple h ALA 21 Ca -0.38 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 53.89 2ple h ALA 21 Cb 2.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2ple h ALA 21 CO 0.08 0.68 -0.71 0.93 0.00 0.00 0.00 179.25 180.24 2ple h GLU 22 N 0.00 0.00 0.02 0.00 4.39 -1.88 -2.61 114.58 114.50 2ple h GLU 22 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2ple h GLU 22 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2ple h GLU 22 CO 0.07 0.71 -0.01 1.25 -1.16 0.00 0.00 179.01 179.87 2ple h HIS 23 N 0.00 -0.03 -0.12 4.33 2.76 -1.55 -2.16 115.15 118.37 2ple h HIS 23 Ca -0.01 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 2ple h HIS 23 Cb 1.31 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.28 2ple h HIS 23 CO 0.00 0.21 0.25 0.00 -1.30 0.00 0.00 177.93 177.08 2ple h MET 24 N -1.00 0.00 0.06 5.26 -0.00 -1.54 0.50 114.93 118.20 2ple h MET 24 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.41 2ple h MET 24 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.82 2ple h MET 24 CO 0.01 0.00 -1.48 -0.07 -0.00 0.00 0.00 176.91 175.36 2ple h LEU 25 N 0.00 0.18 -1.89 -0.10 3.38 -1.51 -3.27 115.31 112.10 2ple h LEU 25 Ca 0.06 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2ple h LEU 25 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ple h LEU 25 CO -0.00 1.23 0.00 0.00 0.09 0.00 0.00 178.44 179.76 2ple h MET 26 N 0.03 0.00 0.00 1.13 -0.00 -0.20 -2.33 114.93 113.56 2ple h MET 26 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 2ple h MET 26 Cb 1.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.56 2ple h MET 26 CO 0.13 0.00 0.00 0.54 -0.00 0.00 0.00 176.91 177.58 2ple n ARG 27 N -2.88 0.03 -2.93 -0.10 1.74 -1.10 -4.60 116.66 106.81 2ple n ARG 27 Ca -0.01 0.33 -0.40 0.00 -0.77 0.00 0.00 57.85 57.00 2ple n ARG 27 Cb 0.18 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 2ple n ARG 27 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ple s VAL 28 N -2.84 4.98 -1.33 1.55 0.11 -0.88 -4.96 120.40 117.03 2ple s VAL 28 Ca 0.04 1.65 -0.17 0.00 -2.93 0.00 0.00 61.98 60.57 2ple s VAL 28 Cb 0.04 -4.13 0.06 0.00 -1.53 0.00 0.00 36.38 30.81 2ple s VAL 28 CO 0.11 0.22 1.87 -0.81 -3.33 0.00 0.00 175.10 173.16 2ple n PRO 29 N 3.80 3.05 -1.39 1.54 -0.04 -1.26 -4.73 135.00 135.97 2ple n PRO 29 Ca 0.01 -3.07 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 2ple n PRO 29 Cb 0.51 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 2ple n PRO 29 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2ple n ARG 30 N 7.80 -3.40 0.00 0.54 0.63 -1.26 -5.03 116.66 115.94 2ple n ARG 30 Ca 0.50 2.56 0.00 0.00 -0.92 0.00 0.00 57.85 59.99 2ple n ARG 30 Cb 0.44 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.75 2ple n ARG 30 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2ple n ASP 31 N 0.94 0.00 -2.82 6.15 9.92 -1.26 -4.94 116.55 124.54 2ple n ASP 31 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 2ple n ASP 31 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.56 5.14 3.75 0.44 0.00 -1.16 -1.79 105.19 111.01 2ple n GLY 32 Ca 0.00 -2.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.10 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 -3.33 3.42 -0.07 4.61 0.00 -0.28 -3.79 121.76 122.33 2ple s ALA 33 Ca 0.46 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.38 2ple s ALA 33 Cb 0.34 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 2ple s ALA 33 CO -0.13 -0.28 -0.14 -0.59 0.00 0.00 0.00 175.76 174.62 2ple s PHE 34 N -0.68 2.74 0.13 0.00 -0.71 -0.97 -0.32 117.98 118.16 2ple s PHE 34 Ca 0.48 -0.30 -0.08 0.00 -1.04 0.00 0.00 56.93 55.99 2ple s PHE 34 Cb -0.33 -1.70 -0.01 0.00 -1.21 0.00 0.00 43.02 39.78 2ple s PHE 34 CO 0.40 0.07 0.21 -0.51 -1.34 0.00 0.00 175.22 174.05 2ple s LEU 35 N -0.40 1.28 0.26 -1.99 1.43 0.01 -4.80 118.68 114.47 2ple s LEU 35 Ca 0.04 -0.82 0.11 0.00 -1.03 0.00 0.00 54.13 52.43 2ple s LEU 35 Cb -0.12 1.01 -0.05 0.00 0.03 0.00 0.00 46.19 47.06 2ple s LEU 35 CO 0.02 -0.80 -0.13 -0.69 0.23 0.00 0.00 176.35 174.98 2ple s VAL 36 N -3.93 2.86 0.17 -1.59 1.01 -1.01 0.10 120.40 118.01 2ple s VAL 36 Ca 0.12 -2.16 -0.24 0.00 0.00 0.00 0.00 61.98 59.70 2ple s VAL 36 Cb 0.04 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.99 2ple s VAL 36 CO -0.05 -0.35 0.95 0.00 0.00 0.00 0.00 175.10 175.64 2ple s ARG 37 N -3.47 1.26 0.07 2.72 1.04 -0.44 -1.41 118.95 118.72 2ple s ARG 37 Ca 0.30 -0.70 0.02 0.00 -1.04 0.00 0.00 55.73 54.30 2ple s ARG 37 Cb -0.06 0.42 -0.04 0.00 -2.04 0.00 0.00 34.95 33.23 2ple s ARG 37 CO 0.16 -0.58 0.12 0.15 -0.04 0.00 0.00 175.30 175.12 2ple s LYS 38 N -3.27 3.08 0.00 3.89 3.01 -0.83 -2.15 119.74 123.47 2ple s LYS 38 Ca 0.13 -0.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.49 2ple s LYS 38 Cb -0.02 -2.84 0.00 0.00 -1.01 0.00 0.00 37.83 33.96 2ple s LYS 38 CO 0.03 0.59 0.00 0.54 0.51 0.00 0.00 175.35 177.02 2ple n ARG 39 N 0.46 3.23 -0.99 1.68 5.12 -1.26 -4.58 116.66 120.31 2ple n ARG 39 Ca -0.08 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.68 2ple n ARG 39 Cb 0.51 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.80 2ple n ARG 39 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2ple n ASN 40 N 0.00 6.14 -3.56 0.55 0.23 -1.26 -4.82 115.26 112.55 2ple n ASN 40 Ca 0.00 -2.93 -0.15 0.00 -0.53 0.00 0.00 54.58 50.98 2ple n ASN 40 Cb 0.00 -1.16 -0.06 0.00 -2.08 0.00 0.00 39.78 36.48 2ple n ASN 40 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2ple s GLU 41 N -1.16 0.86 0.00 -3.83 2.02 -1.26 -5.01 118.70 110.31 2ple s GLU 41 Ca 0.37 0.31 0.08 0.00 0.02 0.00 0.00 54.97 55.75 2ple s GLU 41 Cb 0.25 0.41 0.48 0.00 0.10 0.00 0.00 34.13 35.36 2ple s GLU 41 CO -0.06 -0.25 1.24 -0.35 0.02 0.00 0.00 175.26 175.87 2ple n PRO 42 N 1.09 0.93 -4.39 0.39 -0.04 -1.26 -4.79 135.00 126.92 2ple n PRO 42 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.02 2ple n PRO 42 Cb 0.57 -1.14 -0.12 0.00 -0.04 0.00 0.00 33.50 32.77 2ple n PRO 42 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2ple s ASN 43 N -1.33 3.43 0.34 3.54 3.84 -1.26 -5.06 114.94 118.45 2ple s ASN 43 Ca 0.12 -0.78 0.00 0.00 0.21 0.00 0.00 52.86 52.42 2ple s ASN 43 Cb 0.06 -0.27 0.00 0.00 -0.55 0.00 0.00 41.25 40.48 2ple s ASN 43 CO 0.09 0.16 0.00 -1.54 -2.79 0.00 0.00 177.10 173.02 2ple n SER 44 N 0.63 -4.86 0.00 -4.21 3.41 -1.26 -4.87 113.62 102.46 2ple n SER 44 Ca -0.16 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2ple n SER 44 Cb 0.54 -2.02 0.00 0.00 -0.26 0.00 0.00 64.21 62.47 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 -2.35 0.00 -3.64 7.33 4.02 -1.00 -4.72 117.16 116.81 2ple n TYR 45 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.81 2ple n TYR 45 Cb 0.29 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.54 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 -1.13 -1.97 -0.50 -0.72 0.00 -0.91 -1.49 121.76 115.04 2ple s ALA 46 Ca 0.00 2.07 -0.21 0.00 0.00 0.00 0.00 51.96 53.81 2ple s ALA 46 Cb 0.00 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.74 2ple s ALA 46 CO 0.00 -0.31 0.74 0.42 0.00 0.00 0.00 175.76 176.61 2ple s ILE 47 N 0.70 4.70 -0.45 0.00 1.01 -0.26 -1.32 121.20 125.58 2ple s ILE 47 Ca -0.02 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 2ple s ILE 47 Cb -0.05 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 38.09 2ple s ILE 47 CO -0.08 -0.85 0.93 -0.94 0.00 0.00 0.00 174.94 173.99 2ple s SER 48 N 2.55 6.52 -0.09 3.58 1.04 0.28 -0.65 113.70 126.93 2ple s SER 48 Ca 0.22 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.85 2ple s SER 48 Cb -0.16 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.52 2ple s SER 48 CO 0.16 -1.03 -0.16 0.72 0.98 0.00 0.00 173.24 173.91 2ple s PHE 49 N 3.73 1.89 -0.34 5.02 -0.71 -0.87 -0.81 117.98 125.88 2ple s PHE 49 Ca 0.37 -0.78 -0.25 0.00 -1.04 0.00 0.00 56.93 55.23 2ple s PHE 49 Cb -0.10 -1.34 0.01 0.00 -1.21 0.00 0.00 43.02 40.38 2ple s PHE 49 CO 0.25 -0.38 0.87 -0.98 -1.34 0.00 0.00 175.22 173.65 2ple s ARG 50 N 0.69 3.90 0.29 1.99 1.70 0.56 -2.53 118.95 125.56 2ple s ARG 50 Ca -0.13 0.61 0.03 0.00 -0.47 0.00 0.00 55.73 55.77 2ple s ARG 50 Cb -0.16 -3.77 0.05 0.00 -0.57 0.00 0.00 34.95 30.51 2ple s ARG 50 CO 0.03 -0.82 0.40 0.00 -1.08 0.00 0.00 175.30 173.83 2ple n ALA 51 N 6.51 0.45 -1.80 7.88 0.00 -0.76 -1.13 120.51 131.65 2ple n ALA 51 Ca 0.06 -0.96 -0.40 0.00 0.00 0.00 0.00 53.44 52.13 2ple n ALA 51 Cb 0.48 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 2ple n ALA 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ple s GLU 52 N -3.34 2.82 -1.22 0.00 2.12 -0.74 -2.57 118.70 115.77 2ple s GLU 52 Ca 0.29 1.39 0.00 0.00 0.36 0.00 0.00 54.97 57.01 2ple s GLU 52 Cb -0.02 -4.38 0.00 0.00 0.26 0.00 0.00 34.13 29.99 2ple s GLU 52 CO 0.19 -2.47 0.00 0.41 -0.54 0.00 0.00 175.26 172.85 2ple n GLY 53 N 5.71 0.82 2.55 -1.50 0.00 -1.26 -4.83 105.19 106.67 2ple n GLY 53 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.41 0.86 0.07 1.61 -0.14 -1.06 -5.12 119.74 112.56 2ple s LYS 54 Ca 0.00 -1.60 -0.20 0.00 -1.36 0.00 0.00 55.97 52.82 2ple s LYS 54 Cb 0.00 -0.98 -0.07 0.00 -1.68 0.00 0.00 37.83 35.10 2ple s LYS 54 CO 0.00 -1.33 0.58 0.42 -0.76 0.00 0.00 175.35 174.27 2ple s ILE 55 N 0.56 4.72 0.27 2.17 1.09 -1.26 -1.83 121.20 126.93 2ple s ILE 55 Ca 0.28 1.25 0.01 0.00 -1.10 0.00 0.00 60.65 61.09 2ple s ILE 55 Cb -0.03 -3.92 -0.00 0.00 -1.06 0.00 0.00 42.46 37.46 2ple s ILE 55 CO -0.12 0.54 0.34 2.29 -0.10 0.00 0.00 174.94 177.90 2ple n LYS 56 N 1.77 0.49 -3.45 2.79 0.00 -1.05 -4.90 118.16 113.82 2ple n LYS 56 Ca -0.10 -2.33 -0.28 0.00 -0.00 0.00 0.00 58.31 55.59 2ple n LYS 56 Cb 0.51 2.15 -0.11 0.00 -0.00 0.00 0.00 35.03 37.57 2ple n LYS 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2ple s HIS 57 N -3.27 0.87 0.98 5.58 3.76 -1.26 -2.05 115.29 119.90 2ple s HIS 57 Ca 0.25 -1.87 -0.15 0.00 -0.15 0.00 0.00 55.06 53.14 2ple s HIS 57 Cb -0.00 -0.94 -0.06 0.00 1.11 0.00 0.00 32.58 32.68 2ple s HIS 57 CO 0.18 -0.83 -0.26 0.00 -0.85 0.00 0.00 174.74 172.98 2ple s ARG 59 N -2.76 2.11 -0.05 0.00 3.00 -1.26 -1.10 118.95 118.89 2ple s ARG 59 Ca 0.48 -1.54 -0.08 0.00 -1.00 0.00 0.00 55.73 53.59 2ple s ARG 59 Cb -0.19 -2.04 0.02 0.00 0.00 0.00 0.00 34.95 32.74 2ple s ARG 59 CO 0.75 0.34 0.20 0.08 0.00 0.00 0.00 175.30 176.68 2ple s VAL 60 N -2.39 0.03 0.47 7.11 1.01 -0.55 -4.78 120.40 121.29 2ple s VAL 60 Ca 0.31 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.12 2ple s VAL 60 Cb -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2ple s VAL 60 CO 0.18 -0.13 0.23 -1.10 0.00 0.00 0.00 175.10 174.29 2ple s GLN 61 N -0.43 2.24 -0.16 2.72 -0.21 -1.06 -2.38 119.66 120.39 2ple s GLN 61 Ca -0.05 -1.97 -0.07 0.00 0.02 0.00 0.00 55.36 53.29 2ple s GLN 61 Cb -0.04 -1.97 0.06 0.00 1.00 0.00 0.00 33.01 32.07 2ple s GLN 61 CO 0.01 -0.31 0.36 -1.14 -2.12 0.00 0.00 175.29 172.10 2ple s GLN 62 N -4.02 0.31 0.00 2.91 0.74 -1.26 -1.83 119.66 116.51 2ple s GLN 62 Ca 0.34 0.79 0.00 0.00 0.05 0.00 0.00 55.36 56.54 2ple s GLN 62 Cb 0.01 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.16 2ple s GLN 62 CO 0.19 -0.19 0.00 0.39 -0.55 0.00 0.00 175.29 175.13 2ple n GLU 63 N 4.62 2.94 0.00 1.67 -0.58 -0.59 -4.88 120.64 123.82 2ple n GLU 63 Ca -0.19 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.60 2ple n GLU 63 Cb 0.53 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.65 2ple n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ple n GLY 64 N 5.00 -0.99 0.16 0.62 0.00 -1.26 -4.55 105.19 104.16 2ple n GLY 64 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.63 0.00 -1.46 1.61 7.27 -1.26 -5.15 117.38 117.77 2ple n GLN 65 Ca 0.06 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.95 2ple n GLN 65 Cb 0.03 0.00 0.12 0.00 2.41 0.00 0.00 30.24 32.80 2ple n GLN 65 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2ple n THR 66 N -1.43 0.00 -4.70 1.69 5.66 -1.26 -4.82 114.28 109.42 2ple n THR 66 Ca 0.00 -0.77 -0.31 0.00 -3.05 0.00 0.00 64.05 59.92 2ple n THR 66 Cb 0.00 -1.51 -0.08 0.00 -1.55 0.00 0.00 70.33 67.20 2ple n THR 66 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2ple s VAL 67 N -2.72 1.01 -0.08 1.08 0.11 -0.87 -1.55 120.40 117.39 2ple s VAL 67 Ca 0.49 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.52 2ple s VAL 67 Cb -0.02 -2.21 0.03 0.00 -1.53 0.00 0.00 36.38 32.65 2ple s VAL 67 CO 0.34 0.00 0.04 -0.32 -3.33 0.00 0.00 175.10 171.83 2ple s MET 68 N -3.83 0.30 -0.70 1.54 1.75 -0.76 -1.45 119.30 116.15 2ple s MET 68 Ca 0.11 0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.69 2ple s MET 68 Cb 0.02 -0.98 0.39 0.00 2.84 0.00 0.00 34.83 37.09 2ple s MET 68 CO 0.06 -0.38 1.78 -0.11 -0.65 0.00 0.00 175.02 175.72 2ple n LEU 69 N 5.21 6.79 0.00 4.11 7.94 -1.04 -2.55 117.00 137.47 2ple n LEU 69 Ca -0.06 -4.83 0.00 0.00 -1.11 0.00 0.00 56.01 50.02 2ple n LEU 69 Cb 0.50 -0.88 0.00 0.00 0.53 0.00 0.00 43.42 43.57 2ple n LEU 69 CO 0.09 1.84 0.00 0.61 -1.11 0.00 0.00 177.39 178.82 2ple n GLY 70 N -0.60 1.91 0.00 -3.96 0.00 -1.26 -4.69 105.19 96.59 2ple n GLY 70 Ca 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2ple n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ple n ASN 71 N 3.29 0.00 -4.61 1.61 3.02 -1.26 -5.05 115.26 112.27 2ple n ASN 71 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 2ple n ASN 71 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 2ple n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ple n SER 72 N -0.39 2.37 -4.90 6.41 7.64 -1.26 -5.11 113.62 118.38 2ple n SER 72 Ca 0.00 -2.61 -0.32 0.00 1.01 0.00 0.00 58.87 56.94 2ple n SER 72 Cb 0.00 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 2ple n SER 72 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ple s GLU 73 N -4.17 3.41 0.00 1.43 1.03 -1.26 -2.49 118.70 116.65 2ple s GLU 73 Ca 0.37 -0.38 0.00 0.00 0.03 0.00 0.00 54.97 54.99 2ple s GLU 73 Cb -0.03 -3.06 0.00 0.00 -0.80 0.00 0.00 34.13 30.24 2ple s GLU 73 CO 0.24 0.65 0.00 1.19 -1.33 0.00 0.00 175.26 176.00 2ple n PHE 74 N 0.67 0.00 0.06 4.83 3.01 -0.53 -4.87 117.46 120.63 2ple n PHE 74 Ca -0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.17 2ple n PHE 74 Cb 0.52 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.84 2ple n PHE 74 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ple h ASP 75 N 0.00 0.53 0.00 4.37 3.32 -1.93 -2.31 116.42 120.40 2ple h ASP 75 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 2ple h ASP 75 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2ple h ASP 75 CO 0.00 1.69 0.00 -1.54 -1.72 0.00 0.00 179.24 177.67 2ple n SER 76 N -3.53 0.00 -0.15 6.45 3.41 -1.26 -4.06 113.62 114.48 2ple n SER 76 Ca -0.23 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.53 2ple n SER 76 Cb 1.07 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 65.83 2ple n SER 76 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ple n LEU 77 N 0.00 0.48 -0.09 1.04 4.32 -1.26 -3.06 117.00 118.44 2ple n LEU 77 Ca 0.00 -0.16 -0.17 0.00 -0.02 0.00 0.00 56.01 55.66 2ple n LEU 77 Cb 0.00 -0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.68 2ple n LEU 77 CO 0.00 0.08 -0.12 0.58 -1.22 0.00 0.00 177.39 176.71 2ple h VAL 78 N 0.75 1.20 0.00 4.08 2.07 -1.98 -2.63 116.25 119.75 2ple h VAL 78 Ca 0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 2ple h VAL 78 Cb 0.16 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2ple h VAL 78 CO 0.00 0.41 0.00 0.47 0.02 0.00 0.00 177.57 178.47 2ple n ASP 79 N -4.53 0.75 0.07 0.57 8.00 -1.25 -1.38 116.55 118.78 2ple n ASP 79 Ca -0.21 0.57 -0.19 0.00 0.71 0.00 0.00 54.79 55.67 2ple n ASP 79 Cb 0.55 -0.77 -0.15 0.00 -0.02 0.00 0.00 41.12 40.74 2ple n ASP 79 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ple h LEU 80 N 0.00 0.50 -0.14 0.64 -0.00 -1.67 -2.86 115.31 111.77 2ple h LEU 80 Ca 0.00 -0.70 -0.12 0.00 -0.00 0.00 0.00 57.88 57.06 2ple h LEU 80 Cb 0.71 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2ple h LEU 80 CO 0.00 1.59 -0.56 0.40 -0.00 0.00 0.00 178.44 179.87 2ple h ILE 81 N 0.09 1.00 0.57 1.22 5.03 -1.43 -1.69 117.51 122.29 2ple h ILE 81 Ca -0.28 -2.30 -0.03 0.00 -0.12 0.00 0.00 64.86 62.13 2ple h ILE 81 Cb 2.06 2.42 0.01 0.00 -3.03 0.00 0.00 36.82 38.27 2ple h ILE 81 CO 0.17 0.55 -0.27 -1.28 -0.68 0.00 0.00 178.15 176.64 2ple h SER 82 N 0.00 -0.65 0.84 1.72 0.87 -1.28 -1.31 113.55 113.74 2ple h SER 82 Ca -0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2ple h SER 82 Cb 1.37 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2ple h SER 82 CO 0.07 -0.25 0.00 0.10 -0.53 0.00 0.00 176.83 176.22 2ple h TYR 83 N -1.17 0.00 0.00 2.24 -0.00 -1.61 -1.74 116.97 114.70 2ple h TYR 83 Ca -0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.58 2ple h TYR 83 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.33 2ple h TYR 83 CO 0.00 0.00 -0.34 -0.92 -0.00 0.00 0.00 178.16 176.91 2ple h TYR 84 N 0.00 0.00 0.00 0.10 3.20 -1.14 -2.56 116.97 116.57 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 0.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2ple h TYR 84 CO 0.00 0.34 0.00 0.39 -1.64 0.00 0.00 178.16 177.25 2ple n GLU 85 N -3.34 0.03 -0.03 1.82 1.02 -0.51 -2.49 120.64 117.14 2ple n GLU 85 Ca 0.01 0.43 -0.04 0.00 -0.02 0.00 0.00 57.16 57.54 2ple n GLU 85 Cb 0.56 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 2ple n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ple n LYS 86 N -1.66 2.35 -3.83 3.49 4.76 -1.05 -4.93 118.16 117.30 2ple n LYS 86 Ca 0.01 0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 2ple n LYS 86 Cb 0.08 -1.17 -0.04 0.00 -1.84 0.00 0.00 35.03 32.06 2ple n LYS 86 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2ple s HIS 87 N -2.16 2.89 0.25 2.13 3.76 -0.99 -5.04 115.29 116.12 2ple s HIS 87 Ca -0.05 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 54.27 2ple s HIS 87 Cb 0.02 -1.79 -0.09 0.00 1.11 0.00 0.00 32.58 31.83 2ple s HIS 87 CO 0.25 0.19 0.92 -1.25 -0.85 0.00 0.00 174.74 174.00 2ple s PRO 88 N -3.99 4.77 0.00 8.40 0.04 -1.26 -4.67 135.00 138.29 2ple s PRO 88 Ca 0.41 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2ple s PRO 88 Cb -0.06 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2ple s PRO 88 CO 0.26 0.48 0.00 -0.11 0.04 0.00 0.00 177.00 177.67 2ple n LEU 89 N 1.32 0.28 0.00 -3.56 7.94 -1.26 -4.96 117.00 116.76 2ple n LEU 89 Ca -0.02 0.32 -0.14 0.00 -1.11 0.00 0.00 56.01 55.07 2ple n LEU 89 Cb 0.48 -0.44 0.08 0.00 0.53 0.00 0.00 43.42 44.07 2ple n LEU 89 CO 0.48 -0.44 0.36 -1.22 -1.11 0.00 0.00 177.39 175.47 2ple n TYR 90 N -1.96 -3.27 -1.94 1.96 4.01 -1.26 -4.95 117.16 109.75 2ple n TYR 90 Ca 0.00 -0.97 -0.39 0.00 -0.16 0.00 0.00 57.90 56.38 2ple n TYR 90 Cb 0.00 -0.46 -0.01 0.00 -0.31 0.00 0.00 39.34 38.56 2ple n TYR 90 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2ple n ARG 91 N -2.18 4.37 0.00 -0.72 1.74 -1.26 -4.21 116.66 114.40 2ple n ARG 91 Ca 0.10 -3.34 0.00 0.00 -0.77 0.00 0.00 57.85 53.84 2ple n ARG 91 Cb 0.34 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 2ple n ARG 91 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2ple n LYS 92 N 1.63 0.00 0.00 5.56 2.85 -1.26 -5.17 118.16 121.77 2ple n LYS 92 Ca 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.87 2ple n LYS 92 Cb 0.28 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 2ple n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ple n MET 93 N 0.00 0.00 -1.43 -1.58 0.00 -1.26 -5.03 117.12 107.82 2ple n MET 93 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.66 2ple n MET 93 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 2ple n MET 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2ple n LYS 94 N -0.05 0.29 -2.62 3.17 4.81 -1.26 -4.41 118.16 118.09 2ple n LYS 94 Ca 0.00 -1.32 -0.13 0.00 -0.87 0.00 0.00 58.31 55.99 2ple n LYS 94 Cb 0.00 0.31 -0.00 0.00 0.02 0.00 0.00 35.03 35.35 2ple n LYS 94 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2ple n LEU 95 N -0.18 -1.10 0.02 3.14 4.77 -1.26 -4.74 117.00 117.66 2ple n LEU 95 Ca -0.19 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 55.98 2ple n LEU 95 Cb 0.81 -2.02 0.28 0.00 -2.33 0.00 0.00 43.42 40.17 2ple n LEU 95 CO -0.12 -0.06 0.70 0.54 -1.33 0.00 0.00 177.39 177.13 2ple n ARG 96 N -2.94 0.03 -3.23 3.23 1.74 -1.26 -3.34 116.66 110.89 2ple n ARG 96 Ca -0.11 0.34 -0.24 0.00 -0.77 0.00 0.00 57.85 57.07 2ple n ARG 96 Cb 0.59 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 2ple n ARG 96 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2ple n TYR 97 N -1.63 1.62 0.58 -1.55 4.01 -1.25 -4.90 117.16 114.03 2ple n TYR 97 Ca 0.02 -3.85 -0.02 0.00 -0.16 0.00 0.00 57.90 53.89 2ple n TYR 97 Cb 0.14 -0.45 0.05 0.00 -0.31 0.00 0.00 39.34 38.77 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 0.82 1.47 -3.68 -0.72 -0.04 -1.21 -2.30 135.00 129.34 2ple n PRO 98 Ca 0.26 -0.62 -0.13 0.00 -0.04 0.00 0.00 63.50 62.97 2ple n PRO 98 Cb 0.49 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2ple n PRO 98 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2ple n ILE 99 N 0.15 0.00 0.00 0.52 2.08 -1.26 -4.99 119.36 115.86 2ple n ILE 99 Ca 0.10 -1.63 0.00 0.00 0.56 0.00 0.00 62.75 61.78 2ple n ILE 99 Cb 0.62 0.95 0.00 0.00 -0.75 0.00 0.00 39.64 40.46 2ple n ILE 99 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2ple n ASN 100 N -1.74 0.00 -3.42 4.38 6.94 -1.26 -4.84 115.26 115.32 2ple n ASN 100 Ca 0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.30 2ple n ASN 100 Cb 0.50 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.81 2ple n ASN 100 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2ple s GLU 101 N 0.00 0.72 0.00 -3.83 2.02 -1.26 -4.88 118.70 111.48 2ple s GLU 101 Ca 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.29 2ple s GLU 101 Cb 0.00 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.90 2ple s GLU 101 CO 0.00 -1.30 0.00 -0.85 0.02 0.00 0.00 175.26 173.13 2ple n GLU 102 N 3.45 0.00 -3.14 1.61 0.28 -1.26 -5.07 120.64 116.51 2ple n GLU 102 Ca 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.20 2ple n GLU 102 Cb 0.43 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.29 2ple n GLU 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2ple s ASN 103 N -1.14 -1.39 0.00 -1.84 2.47 -1.26 -5.15 114.94 106.62 2ple s ASN 103 Ca 0.00 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.28 2ple s ASN 103 Cb 0.00 1.88 0.00 0.00 -1.45 0.00 0.00 41.25 41.68 2ple s ASN 103 CO 0.00 -0.15 0.00 -1.54 -3.72 0.00 0.00 177.10 171.69 2ple n SER 104 N 4.14 1.09 -0.52 -4.21 3.41 -1.26 -4.98 113.62 111.29 2ple n SER 104 Ca 0.12 -0.86 0.07 0.00 -0.26 0.00 0.00 58.87 57.93 2ple n SER 104 Cb 0.56 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.57 2ple n SER 104 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34