#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 -5.83 -4.88 1.61 2.88 -1.26 -4.98 113.62 101.17 2ple n SER 2 Ca 0.00 0.78 -0.30 0.00 -1.33 0.00 0.00 58.87 58.02 2ple n SER 2 Cb 0.00 -2.61 0.04 0.00 -0.75 0.00 0.00 64.21 60.89 2ple n SER 2 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ple s PRO 3 N -4.41 2.91 0.00 -1.46 0.04 -1.26 -4.64 135.00 126.18 2ple s PRO 3 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2ple s PRO 3 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ple s PRO 3 CO 0.00 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2ple n GLY 4 N -2.95 1.52 0.52 0.56 0.00 -1.26 -5.01 105.19 98.57 2ple n GLY 4 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2ple n GLY 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ple n ILE 5 N -0.81 0.84 -2.12 -0.61 -5.35 -1.26 -4.89 119.36 105.16 2ple n ILE 5 Ca 0.00 -0.22 -0.03 0.00 -0.27 0.00 0.00 62.75 62.24 2ple n ILE 5 Cb 0.00 -1.70 -0.03 0.00 -1.74 0.00 0.00 39.64 36.17 2ple n ILE 5 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2ple n HIS 6 N -3.68 0.00 -0.71 4.28 -0.00 -1.26 -5.09 115.22 108.77 2ple n HIS 6 Ca -0.30 -0.38 -0.21 0.00 -0.00 0.00 0.00 57.72 56.82 2ple n HIS 6 Cb 0.71 0.27 0.18 0.00 -0.00 0.00 0.00 29.99 31.16 2ple n HIS 6 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2ple n GLU 7 N 0.12 -2.90 -2.44 1.57 4.71 -1.26 -4.86 120.64 115.58 2ple n GLU 7 Ca -0.13 -1.18 -0.40 0.00 -0.01 0.00 0.00 57.16 55.43 2ple n GLU 7 Cb 0.77 -1.20 -0.03 0.00 -1.01 0.00 0.00 31.44 29.97 2ple n GLU 7 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2ple s SER 8 N -3.39 6.03 -0.09 1.62 0.15 -1.26 -4.95 113.70 111.82 2ple s SER 8 Ca 0.49 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.60 2ple s SER 8 Cb -0.06 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2ple s SER 8 CO 0.39 -1.91 -0.11 -0.75 1.20 0.00 0.00 173.24 172.06 2ple s LYS 9 N 5.85 1.68 -0.11 5.44 2.20 -1.26 -5.11 119.74 128.43 2ple s LYS 9 Ca 0.44 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2ple s LYS 9 Cb -0.07 -1.51 0.03 0.00 -1.51 0.00 0.00 37.83 34.78 2ple s LYS 9 CO 0.10 -0.08 -0.01 -1.21 -0.36 0.00 0.00 175.35 173.78 2ple s GLU 10 N 1.05 0.86 -0.28 4.03 2.02 -1.26 -5.00 118.70 120.12 2ple s GLU 10 Ca -0.07 -0.12 0.08 0.00 0.02 0.00 0.00 54.97 54.88 2ple s GLU 10 Cb -0.15 -1.40 0.45 0.00 0.10 0.00 0.00 34.13 33.14 2ple s GLU 10 CO -0.01 -0.37 1.31 -2.67 0.02 0.00 0.00 175.26 173.53 2ple n TRP 11 N 5.07 1.43 -5.20 1.61 4.27 -1.26 -4.99 117.44 118.36 2ple n TRP 11 Ca -0.09 -1.88 -0.32 0.00 -3.89 0.00 0.00 57.50 51.32 2ple n TRP 11 Cb 0.49 -0.40 -0.17 0.00 -1.36 0.00 0.00 31.31 29.87 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 -3.41 2.54 0.33 -2.67 1.13 -1.26 -1.37 117.35 112.64 2ple s TYR 12 Ca 0.46 -0.92 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 2ple s TYR 12 Cb 0.40 -1.69 -0.03 0.00 -1.10 0.00 0.00 41.96 39.55 2ple s TYR 12 CO -0.01 -0.34 0.51 -1.01 -2.51 0.00 0.00 175.55 172.18 2ple s HIS 13 N 0.18 3.45 0.00 -3.49 3.76 -0.88 -4.84 115.29 113.47 2ple s HIS 13 Ca -0.14 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 2ple s HIS 13 Cb -0.17 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.67 2ple s HIS 13 CO 0.07 0.16 0.00 0.00 -0.85 0.00 0.00 174.74 174.12 2ple n ALA 14 N -1.71 0.00 -3.01 -1.40 0.00 -1.26 -0.82 120.51 112.30 2ple n ALA 14 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 2ple n ALA 14 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.80 5.42 0.00 0.00 1.04 -1.25 -3.17 113.70 113.93 2ple s SER 15 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2ple s SER 15 Cb 0.00 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2ple s SER 15 CO 0.00 -0.26 0.00 0.18 0.98 0.00 0.00 173.24 174.14 2ple n LEU 16 N 4.92 0.65 -3.74 2.42 4.32 -1.26 -5.08 117.00 119.23 2ple n LEU 16 Ca -0.13 0.03 -0.06 0.00 -0.02 0.00 0.00 56.01 55.83 2ple n LEU 16 Cb 0.47 -0.12 -0.02 0.00 -1.62 0.00 0.00 43.42 42.13 2ple n LEU 16 CO 0.33 -0.12 0.58 -0.89 -1.22 0.00 0.00 177.39 176.07 2ple s THR 17 N -0.24 0.00 -0.18 -5.08 2.01 -1.26 -4.98 115.64 105.91 2ple s THR 17 Ca 0.00 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 2ple s THR 17 Cb 0.00 -1.80 0.12 0.00 0.01 0.00 0.00 72.50 70.83 2ple s THR 17 CO 0.00 0.00 2.00 0.54 -0.69 0.00 0.00 174.62 176.47 2ple n ARG 18 N -0.44 1.45 0.00 4.92 1.74 -1.26 -3.88 116.66 119.19 2ple n ARG 18 Ca -0.07 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 2ple n ARG 18 Cb 0.61 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.85 0.00 0.22 7.54 0.00 -1.26 -4.93 120.51 122.93 2ple n ALA 19 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.67 2ple n ALA 19 Cb 0.55 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.50 2ple n ALA 19 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2ple h GLN 20 N 0.00 0.00 0.00 0.00 -0.00 -1.94 -2.03 115.11 111.13 2ple h GLN 20 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.48 2ple h GLN 20 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.46 2ple h GLN 20 CO 0.00 0.22 -0.79 0.00 0.00 0.00 0.00 178.83 178.26 2ple h ALA 21 N 1.78 0.58 0.00 3.38 0.00 -1.92 -2.48 119.26 120.59 2ple h ALA 21 Ca -0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 2ple h ALA 21 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ple h ALA 21 CO 0.03 0.99 -0.21 0.93 0.00 0.00 0.00 179.25 180.99 2ple h GLU 22 N 0.00 0.00 0.00 0.00 5.08 -1.70 -3.17 114.58 114.79 2ple h GLU 22 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2ple h GLU 22 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2ple h GLU 22 CO 0.10 0.21 -0.52 0.45 -1.00 0.00 0.00 179.01 178.25 2ple h HIS 23 N 0.00 0.00 -1.04 4.33 3.86 -1.36 -2.57 115.15 118.38 2ple h HIS 23 Ca -0.00 0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.50 2ple h HIS 23 Cb 1.01 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.43 2ple h HIS 23 CO 0.00 0.82 0.73 0.00 0.86 0.00 0.00 177.93 180.34 2ple h MET 24 N -1.00 0.09 0.13 2.45 -0.00 -1.55 -0.25 114.93 114.80 2ple h MET 24 Ca -0.12 -0.01 -0.25 0.00 -0.00 0.00 0.00 59.70 59.33 2ple h MET 24 Cb 0.85 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 32.43 2ple h MET 24 CO -0.07 0.06 -1.20 -0.07 -0.00 0.00 0.00 176.91 175.63 2ple h LEU 25 N 0.10 0.42 -1.57 -0.10 3.38 -1.66 -3.27 115.31 112.60 2ple h LEU 25 Ca 0.51 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ple h LEU 25 Cb 1.86 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2ple h LEU 25 CO -0.07 1.54 0.39 0.24 0.09 0.00 0.00 178.44 180.63 2ple h MET 26 N -0.33 0.00 -0.96 1.13 2.86 -0.62 0.17 114.93 117.18 2ple h MET 26 Ca -0.25 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 2ple h MET 26 Cb 1.72 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.36 2ple h MET 26 CO 0.09 0.00 0.05 0.54 1.06 0.00 0.00 176.91 178.65 2ple n ARG 27 N -2.66 1.48 -4.02 1.72 1.74 -0.94 -4.73 116.66 109.25 2ple n ARG 27 Ca -0.02 -0.52 -0.31 0.00 -0.77 0.00 0.00 57.85 56.23 2ple n ARG 27 Cb 0.42 -1.45 -0.16 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.99 1.74 0.97 1.55 0.11 0.05 -5.05 120.40 118.78 2ple s VAL 28 Ca 0.09 -1.05 -0.16 0.00 -2.93 0.00 0.00 61.98 57.93 2ple s VAL 28 Cb 0.07 -1.78 0.20 0.00 -1.53 0.00 0.00 36.38 33.35 2ple s VAL 28 CO 0.02 0.20 1.32 -2.16 -3.33 0.00 0.00 175.10 171.15 2ple s PRO 29 N 1.36 0.55 -0.24 1.54 0.04 -1.26 -4.47 135.00 132.52 2ple s PRO 29 Ca -0.01 -0.41 -0.02 0.00 0.04 0.00 0.00 61.00 60.61 2ple s PRO 29 Cb -0.16 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2ple s PRO 29 CO -0.08 -2.47 0.03 0.54 0.04 0.00 0.00 177.00 175.05 2ple n ARG 30 N -3.81 -3.13 -0.25 4.56 3.00 -1.26 -4.71 116.66 111.06 2ple n ARG 30 Ca 0.15 2.55 0.03 0.00 -0.01 0.00 0.00 57.85 60.58 2ple n ARG 30 Cb 0.59 -4.58 -0.01 0.00 0.00 0.00 0.00 32.46 28.46 2ple n ARG 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2ple n ASP 31 N 0.98 -4.81 0.00 0.55 8.00 -1.26 -4.70 116.55 115.30 2ple n ASP 31 Ca -0.06 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2ple n ASP 31 Cb 0.16 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 2ple n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ple n GLY 32 N -0.76 0.94 0.00 0.44 0.00 -1.19 -1.19 105.19 103.41 2ple n GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ple n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ple n ALA 33 N -3.00 0.00 -3.54 4.61 0.00 -0.95 -4.70 120.51 112.94 2ple n ALA 33 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2ple n ALA 33 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2ple n ALA 33 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2ple s PHE 34 N -2.83 -0.62 0.00 0.00 -0.12 0.19 -2.56 117.98 112.04 2ple s PHE 34 Ca 0.00 1.39 0.00 0.00 -0.05 0.00 0.00 56.93 58.27 2ple s PHE 34 Cb 0.00 0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.66 2ple s PHE 34 CO 0.00 -0.32 0.00 1.47 -0.05 0.00 0.00 175.22 176.32 2ple n LEU 35 N 3.57 0.00 -4.52 -1.99 -0.00 -0.57 -4.67 117.00 108.83 2ple n LEU 35 Ca -0.18 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.57 2ple n LEU 35 Cb 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.91 2ple n LEU 35 CO 0.08 0.00 -0.18 -0.69 -0.00 0.00 0.00 177.39 176.60 2ple s VAL 36 N -2.62 0.51 0.25 1.47 1.01 -0.47 -1.79 120.40 118.77 2ple s VAL 36 Ca 0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 59.77 2ple s VAL 36 Cb 0.00 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.13 2ple s VAL 36 CO 0.00 0.00 0.84 0.00 0.00 0.00 0.00 175.10 175.94 2ple s ARG 37 N -3.66 1.65 0.03 2.72 1.04 0.96 -2.08 118.95 119.61 2ple s ARG 37 Ca 0.22 -0.97 0.09 0.00 -1.04 0.00 0.00 55.73 54.04 2ple s ARG 37 Cb 0.02 0.52 -0.03 0.00 -2.04 0.00 0.00 34.95 33.42 2ple s ARG 37 CO 0.15 -0.76 -0.26 0.15 -0.04 0.00 0.00 175.30 174.54 2ple s LYS 38 N -3.20 1.82 0.00 3.89 -0.14 -0.00 -2.24 119.74 119.87 2ple s LYS 38 Ca 0.14 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.69 2ple s LYS 38 Cb -0.04 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 2ple s LYS 38 CO 0.06 0.51 0.00 0.54 -0.76 0.00 0.00 175.35 175.70 2ple n ARG 39 N 1.93 3.49 -1.11 1.68 5.12 -1.26 -3.75 116.66 122.75 2ple n ARG 39 Ca -0.17 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.56 2ple n ARG 39 Cb 0.52 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 -1.71 -1.93 0.00 0.00 177.63 173.99 2ple n ASN 40 N 0.00 6.30 -3.74 0.55 4.05 -1.26 -4.71 115.26 116.44 2ple n ASN 40 Ca 0.00 -3.03 -0.34 0.00 0.45 0.00 0.00 54.58 51.66 2ple n ASN 40 Cb 0.00 -1.16 0.04 0.00 1.23 0.00 0.00 39.78 39.89 2ple n ASN 40 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2ple n GLU 41 N 0.81 -1.04 0.00 1.20 4.71 -1.26 -4.95 120.64 120.11 2ple n GLU 41 Ca 0.37 0.40 0.00 0.00 -0.01 0.00 0.00 57.16 57.92 2ple n GLU 41 Cb 0.60 -3.83 0.00 0.00 -1.01 0.00 0.00 31.44 27.20 2ple n GLU 41 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2ple n PRO 42 N -4.29 0.00 -2.23 3.49 -0.04 -1.26 -4.99 135.00 125.68 2ple n PRO 42 Ca -0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.34 2ple n PRO 42 Cb 0.59 -0.29 0.03 0.00 -0.04 0.00 0.00 33.50 33.78 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 -0.49 -0.85 0.00 3.54 6.94 -1.26 -5.15 115.26 117.99 2ple n ASN 43 Ca 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 54.58 52.97 2ple n ASN 43 Cb 0.00 0.58 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 2ple n ASN 43 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2ple n SER 44 N -0.52 0.00 -1.88 0.53 3.41 -1.26 -4.59 113.62 109.31 2ple n SER 44 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2ple n SER 44 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.69 -2.60 -3.65 7.33 4.01 -0.73 -4.55 117.16 116.28 2ple n TYR 45 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2ple n TYR 45 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 2ple n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ple s ALA 46 N -2.00 -0.78 -0.11 -0.72 0.00 -0.95 -2.29 121.76 114.90 2ple s ALA 46 Ca 0.00 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 2ple s ALA 46 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 2ple s ALA 46 CO 0.00 -0.70 0.60 0.42 0.00 0.00 0.00 175.76 176.08 2ple s ILE 47 N 2.49 5.09 -0.13 0.00 1.01 0.90 -0.02 121.20 130.55 2ple s ILE 47 Ca 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 60.65 61.84 2ple s ILE 47 Cb -0.12 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2ple s ILE 47 CO -0.10 0.25 -0.07 -0.94 0.00 0.00 0.00 174.94 174.08 2ple s SER 48 N 0.82 4.55 -0.13 3.58 1.04 -0.74 0.17 113.70 122.99 2ple s SER 48 Ca 0.31 -0.16 -0.33 0.00 0.48 0.00 0.00 55.95 56.25 2ple s SER 48 Cb -0.16 -1.60 0.13 0.00 0.10 0.00 0.00 66.02 64.49 2ple s SER 48 CO 0.13 0.21 1.23 0.72 0.98 0.00 0.00 173.24 176.52 2ple s PHE 49 N 0.09 -0.10 -0.33 5.02 -0.12 -1.01 -1.51 117.98 120.03 2ple s PHE 49 Ca -0.02 0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.89 2ple s PHE 49 Cb -0.14 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 2ple s PHE 49 CO 0.03 -0.24 0.00 -2.13 -0.05 0.00 0.00 175.22 172.83 2ple n ARG 50 N -0.23 0.00 -4.47 1.99 0.00 -1.06 -2.24 116.66 110.65 2ple n ARG 50 Ca -0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.59 2ple n ARG 50 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.97 2ple n ARG 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ple s ALA 51 N -1.00 2.63 -1.27 5.13 0.00 -1.25 -2.23 121.76 123.78 2ple s ALA 51 Ca 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.50 2ple s ALA 51 Cb 0.00 0.79 0.24 0.00 0.00 0.00 0.00 23.12 24.15 2ple s ALA 51 CO 0.00 -0.36 1.06 -0.85 0.00 0.00 0.00 175.76 175.61 2ple n GLU 52 N -0.80 0.05 0.08 0.00 0.28 -0.34 -2.18 120.64 117.72 2ple n GLU 52 Ca -0.04 0.30 -0.22 0.00 -0.16 0.00 0.00 57.16 57.05 2ple n GLU 52 Cb 0.65 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.89 2ple n GLU 52 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ple h GLY 53 N 0.85 0.66 0.00 -1.84 0.00 -1.90 -3.48 103.07 97.36 2ple h GLY 53 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 47.33 45.96 2ple h GLY 53 CO 0.00 1.20 0.00 0.28 0.00 0.00 0.00 176.54 178.02 2ple n LYS 54 N -3.87 0.00 -3.72 4.80 5.02 -0.93 -5.13 118.16 114.33 2ple n LYS 54 Ca -0.13 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.04 2ple n LYS 54 Cb 0.94 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.82 2ple n LYS 54 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ple s ILE 55 N -0.95 -0.03 -0.10 -0.18 -1.09 -1.26 -3.77 121.20 113.80 2ple s ILE 55 Ca 0.00 0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 2ple s ILE 55 Cb 0.00 -0.44 0.03 0.00 -1.58 0.00 0.00 42.46 40.47 2ple s ILE 55 CO 0.00 0.05 -0.06 -1.59 -1.23 0.00 0.00 174.94 172.11 2ple s LYS 56 N 1.23 1.33 0.00 2.79 -2.85 -0.95 -5.01 119.74 116.28 2ple s LYS 56 Ca -0.09 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 2ple s LYS 56 Cb -0.09 -1.46 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 2ple s LYS 56 CO -0.09 -0.28 0.00 0.72 0.10 0.00 0.00 175.35 175.80 2ple n HIS 57 N 4.99 -2.77 -3.54 1.78 8.25 -1.26 -2.40 115.22 120.26 2ple n HIS 57 Ca -0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.27 2ple n HIS 57 Cb 0.50 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 2ple n HIS 57 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ple s ARG 59 N -3.04 1.29 -0.03 0.00 3.03 -1.26 -0.07 118.95 118.87 2ple s ARG 59 Ca 0.06 -1.37 -0.01 0.00 2.03 0.00 0.00 55.73 56.45 2ple s ARG 59 Cb -0.01 -1.48 0.03 0.00 -1.03 0.00 0.00 34.95 32.46 2ple s ARG 59 CO -0.07 0.32 0.06 0.14 -1.13 0.00 0.00 175.30 174.62 2ple s VAL 60 N -1.70 -0.06 0.33 4.99 -7.23 -0.97 -4.78 120.40 110.97 2ple s VAL 60 Ca 0.14 0.22 0.07 0.00 -1.81 0.00 0.00 61.98 60.61 2ple s VAL 60 Cb -0.07 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.71 2ple s VAL 60 CO 0.07 0.09 0.36 -1.10 -0.31 0.00 0.00 175.10 174.21 2ple s GLN 61 N 1.19 2.93 -0.20 4.82 -0.21 -0.98 -1.77 119.66 125.44 2ple s GLN 61 Ca -0.08 -1.14 -0.17 0.00 0.02 0.00 0.00 55.36 53.99 2ple s GLN 61 Cb -0.13 -2.64 0.06 0.00 1.00 0.00 0.00 33.01 31.30 2ple s GLN 61 CO -0.04 0.12 0.54 -1.14 -2.12 0.00 0.00 175.29 172.64 2ple s GLN 62 N -4.06 0.61 -0.31 2.91 0.74 -1.26 -1.35 119.66 116.95 2ple s GLN 62 Ca 0.42 0.79 0.09 0.00 0.05 0.00 0.00 55.36 56.70 2ple s GLN 62 Cb -0.08 0.26 0.54 0.00 1.10 0.00 0.00 33.01 34.83 2ple s GLN 62 CO 0.28 -0.09 1.53 -0.85 -0.55 0.00 0.00 175.29 175.61 2ple n GLU 63 N 3.07 2.01 0.00 1.67 0.28 -0.82 -4.89 120.64 121.96 2ple n GLU 63 Ca -0.15 -3.14 0.00 0.00 -0.16 0.00 0.00 57.16 53.71 2ple n GLU 63 Cb 0.56 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.56 2ple n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ple n GLY 64 N -1.07 2.20 0.16 -1.84 0.00 -1.26 -4.39 105.19 98.99 2ple n GLY 64 Ca 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 2ple n GLY 64 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ple h GLN 65 N 0.00 -0.32 0.00 1.61 4.20 -1.94 -3.47 115.11 115.19 2ple h GLN 65 Ca 0.00 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 2ple h GLN 65 Cb 0.00 0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.86 2ple h GLN 65 CO 0.00 -0.21 -0.01 2.41 -0.67 0.00 0.00 178.83 180.34 2ple n THR 66 N -4.74 0.00 -3.80 -0.54 -1.04 -1.26 -4.27 114.28 98.63 2ple n THR 66 Ca -0.04 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.36 2ple n THR 66 Cb 0.13 -0.90 -0.13 0.00 -1.82 0.00 0.00 70.33 67.62 2ple n THR 66 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2ple s VAL 67 N 0.07 -0.01 -1.06 12.58 -7.23 -1.17 -1.95 120.40 121.64 2ple s VAL 67 Ca 0.15 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 60.14 2ple s VAL 67 Cb -0.01 -0.25 0.08 0.00 0.56 0.00 0.00 36.38 36.76 2ple s VAL 67 CO 0.10 0.01 1.41 -0.32 -0.31 0.00 0.00 175.10 175.99 2ple s MET 68 N 0.23 3.70 -0.04 4.82 1.75 -0.46 -2.13 119.30 127.18 2ple s MET 68 Ca -0.01 -1.56 -0.21 0.00 -1.25 0.00 0.00 55.69 52.66 2ple s MET 68 Cb -0.02 -5.25 -0.15 0.00 2.84 0.00 0.00 34.83 32.25 2ple s MET 68 CO -0.01 -2.07 0.89 1.25 -0.65 0.00 0.00 175.02 174.44 2ple h LEU 69 N 11.88 -0.26 0.00 4.11 7.12 -1.71 -2.59 115.31 133.86 2ple h LEU 69 Ca 0.24 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2ple h LEU 69 Cb 0.98 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2ple h LEU 69 CO 1.34 0.23 0.00 0.61 -0.13 0.00 0.00 178.44 180.49 2ple n GLY 70 N 0.40 -1.06 0.00 3.75 0.00 -1.26 -4.76 105.19 102.26 2ple n GLY 70 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.03 0.23 -3.69 1.61 5.15 -1.26 -5.10 115.26 109.17 2ple n ASN 71 Ca 0.00 -1.09 -0.11 0.00 -0.60 0.00 0.00 54.58 52.78 2ple n ASN 71 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 2ple n ASN 71 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2ple s SER 72 N -0.09 0.26 -0.27 1.20 1.04 -1.26 -5.14 113.70 109.44 2ple s SER 72 Ca 0.00 -1.16 -0.11 0.00 0.48 0.00 0.00 55.95 55.17 2ple s SER 72 Cb 0.00 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2ple s SER 72 CO 0.00 -1.21 0.17 -1.61 0.98 0.00 0.00 173.24 171.57 2ple s GLU 73 N -3.59 3.94 0.70 4.02 0.41 -1.26 -2.58 118.70 120.35 2ple s GLU 73 Ca 0.26 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 2ple s GLU 73 Cb -0.00 -3.61 0.14 0.00 -1.78 0.00 0.00 34.13 28.87 2ple s GLU 73 CO 0.13 -0.14 0.96 1.19 -0.49 0.00 0.00 175.26 176.91 2ple n PHE 74 N 4.93 -2.93 0.10 1.61 3.01 -0.90 -4.77 117.46 118.50 2ple n PHE 74 Ca -0.14 -1.72 -0.01 0.00 1.01 0.00 0.00 57.45 56.59 2ple n PHE 74 Cb 0.52 -0.70 0.25 0.00 -0.01 0.00 0.00 39.48 39.54 2ple n PHE 74 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2ple h ASP 75 N -0.55 0.25 -0.14 4.37 1.82 -1.91 -3.08 116.42 117.17 2ple h ASP 75 Ca -0.32 -0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.24 2ple h ASP 75 Cb 1.18 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 41.12 2ple h ASP 75 CO 0.34 0.60 0.04 -1.54 -1.61 0.00 0.00 179.24 177.07 2ple n SER 76 N -4.07 -0.04 0.05 2.28 3.41 -1.26 -4.41 113.62 109.58 2ple n SER 76 Ca -0.01 -1.00 -0.06 0.00 -0.26 0.00 0.00 58.87 57.54 2ple n SER 76 Cb 0.44 0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.00 0.19 1.04 5.85 -1.91 -3.03 115.31 117.45 2ple h LEU 77 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2ple h LEU 77 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2ple h LEU 77 CO 0.01 0.91 -0.09 0.58 -0.34 0.00 0.00 178.44 179.51 2ple h VAL 78 N 0.00 0.00 -0.66 1.05 2.07 -2.00 -3.11 116.25 113.59 2ple h VAL 78 Ca -0.08 -0.23 0.19 0.00 0.82 0.00 0.00 66.70 67.40 2ple h VAL 78 Cb 1.76 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2ple h VAL 78 CO 0.10 0.00 0.57 -2.24 0.02 0.00 0.00 177.57 176.03 2ple h ASP 79 N -0.48 0.00 -0.21 0.57 2.03 -1.95 0.46 116.42 116.84 2ple h ASP 79 Ca -0.03 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.32 2ple h ASP 79 Cb 0.19 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.65 2ple h ASP 79 CO 0.04 0.00 -0.05 0.25 -1.03 0.00 0.00 179.24 178.45 2ple h LEU 80 N 0.00 -0.19 0.00 0.15 6.46 -1.47 -0.84 115.31 119.41 2ple h LEU 80 Ca 0.32 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.14 2ple h LEU 80 Cb 1.45 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.51 2ple h LEU 80 CO -0.00 -0.07 -0.09 0.00 -0.62 0.00 0.00 178.44 177.66 2ple n ILE 81 N -5.20 0.51 0.39 4.05 0.13 0.04 -2.75 119.36 116.53 2ple n ILE 81 Ca -0.02 -0.26 -0.18 0.00 -1.10 0.00 0.00 62.75 61.19 2ple n ILE 81 Cb 0.13 -0.51 -0.09 0.00 -0.84 0.00 0.00 39.64 38.33 2ple n ILE 81 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 2ple h SER 82 N 0.00 -0.84 1.35 9.51 0.87 -0.04 -0.74 113.55 123.67 2ple h SER 82 Ca 0.00 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 2ple h SER 82 Cb 0.72 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2ple h SER 82 CO 0.00 -0.54 -0.32 0.10 -0.53 0.00 0.00 176.83 175.54 2ple h TYR 83 N -1.09 0.00 0.00 2.24 -0.00 -1.60 -2.93 116.97 113.59 2ple h TYR 83 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.63 2ple h TYR 83 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.51 2ple h TYR 83 CO -0.01 0.32 0.00 1.88 -0.00 0.00 0.00 178.16 180.35 2ple h TYR 84 N 0.00 0.00 0.00 0.10 0.05 -1.37 -2.14 116.97 113.62 2ple h TYR 84 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ple h TYR 84 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2ple h TYR 84 CO 0.00 0.00 0.00 0.93 -1.05 0.00 0.00 178.16 178.04 2ple h GLU 85 N 0.00 0.00 0.00 4.88 5.08 -0.93 -2.81 114.58 120.79 2ple h GLU 85 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ple h GLU 85 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ple h GLU 85 CO 0.00 0.00 -1.12 1.17 -1.00 0.00 0.00 179.01 178.06 2ple n LYS 86 N -2.83 0.55 -3.03 2.33 4.81 -1.02 -4.79 118.16 114.19 2ple n LYS 86 Ca -0.01 -0.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.20 2ple n LYS 86 Cb 0.15 -1.06 0.01 0.00 0.02 0.00 0.00 35.03 34.15 2ple n LYS 86 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2ple s HIS 87 N -2.16 3.06 0.08 5.64 3.76 -0.84 -5.06 115.29 119.77 2ple s HIS 87 Ca -0.01 -0.02 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 2ple s HIS 87 Cb 0.02 -2.34 -0.05 0.00 1.11 0.00 0.00 32.58 31.31 2ple s HIS 87 CO 0.11 -0.40 0.99 -1.25 -0.85 0.00 0.00 174.74 173.34 2ple s PRO 88 N -4.48 4.63 0.00 8.40 0.04 -1.26 -4.50 135.00 137.83 2ple s PRO 88 Ca 0.50 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2ple s PRO 88 Cb -0.10 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2ple s PRO 88 CO 0.36 0.09 0.00 -0.11 0.04 0.00 0.00 177.00 177.38 2ple n LEU 89 N 3.16 0.69 -4.95 -3.56 -0.00 -0.48 -4.94 117.00 106.92 2ple n LEU 89 Ca 0.04 0.28 -0.28 0.00 -0.00 0.00 0.00 56.01 56.05 2ple n LEU 89 Cb 0.49 -0.35 0.15 0.00 -0.00 0.00 0.00 43.42 43.71 2ple n LEU 89 CO 0.52 -0.35 0.76 -0.47 -0.00 0.00 0.00 177.39 177.84 2ple s TYR 90 N -0.71 1.82 -2.00 1.96 5.04 -1.15 -4.91 117.35 117.41 2ple s TYR 90 Ca 0.00 0.20 0.16 0.00 -2.44 0.00 0.00 57.07 54.99 2ple s TYR 90 Cb 0.00 -3.68 0.97 0.00 0.35 0.00 0.00 41.96 39.60 2ple s TYR 90 CO 0.00 -2.21 1.38 0.54 -1.34 0.00 0.00 175.55 173.92 2ple n ARG 91 N -3.40 0.52 -2.69 4.97 5.12 -1.26 -3.49 116.66 116.42 2ple n ARG 91 Ca 0.14 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.00 2ple n ARG 91 Cb 0.60 -1.49 0.11 0.00 -1.16 0.00 0.00 32.46 30.53 2ple n ARG 91 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2ple n LYS 92 N -0.99 1.26 -3.61 5.56 2.85 -1.26 -5.13 118.16 116.84 2ple n LYS 92 Ca 0.12 -1.80 -0.03 0.00 -1.05 0.00 0.00 58.31 55.55 2ple n LYS 92 Cb 0.06 -0.04 -0.02 0.00 -0.65 0.00 0.00 35.03 34.38 2ple n LYS 92 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2ple s MET 93 N -0.17 0.27 0.25 -1.58 1.75 -1.23 -5.02 119.30 113.58 2ple s MET 93 Ca 0.19 -0.11 -0.06 0.00 -1.25 0.00 0.00 55.69 54.46 2ple s MET 93 Cb 0.42 0.12 0.02 0.00 2.84 0.00 0.00 34.83 38.23 2ple s MET 93 CO -0.09 -0.12 0.43 0.36 -0.65 0.00 0.00 175.02 174.95 2ple n LYS 94 N -0.14 0.62 -0.74 4.11 0.00 -1.26 -1.38 118.16 119.37 2ple n LYS 94 Ca -0.00 -1.68 -0.15 0.00 -0.00 0.00 0.00 58.31 56.48 2ple n LYS 94 Cb 0.59 1.84 0.07 0.00 -0.00 0.00 0.00 35.03 37.53 2ple n LYS 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ple n LEU 95 N 0.00 5.54 -0.28 -5.58 4.32 -1.26 -4.11 117.00 115.63 2ple n LEU 95 Ca -0.03 -2.88 0.13 0.00 -0.02 0.00 0.00 56.01 53.22 2ple n LEU 95 Cb 0.40 -0.81 0.47 0.00 -1.62 0.00 0.00 43.42 41.85 2ple n LEU 95 CO 0.19 0.95 0.76 0.54 -1.22 0.00 0.00 177.39 178.61 2ple n ARG 96 N -0.14 1.03 -3.73 3.23 5.12 -1.26 -4.44 116.66 116.47 2ple n ARG 96 Ca 0.32 -0.56 -0.30 0.00 -1.93 0.00 0.00 57.85 55.38 2ple n ARG 96 Cb 0.92 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.64 2ple n ARG 96 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2ple n TYR 97 N -0.50 3.52 -1.50 -1.55 4.01 -1.26 -4.96 117.16 114.92 2ple n TYR 97 Ca 0.15 -4.20 -0.39 0.00 -0.16 0.00 0.00 57.90 53.29 2ple n TYR 97 Cb 0.33 -0.74 -0.02 0.00 -0.31 0.00 0.00 39.34 38.60 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 1.77 3.88 -4.57 -0.72 -0.04 -1.26 0.54 135.00 134.60 2ple n PRO 98 Ca 0.23 -2.52 -0.33 0.00 -0.04 0.00 0.00 63.50 60.83 2ple n PRO 98 Cb 0.37 -2.78 -0.16 0.00 -0.04 0.00 0.00 33.50 30.89 2ple n PRO 98 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ple s ILE 99 N 1.42 2.51 -0.87 0.52 -1.09 -1.26 -4.96 121.20 117.47 2ple s ILE 99 Ca 0.65 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 58.32 2ple s ILE 99 Cb 0.18 -2.05 0.06 0.00 -1.58 0.00 0.00 42.46 39.08 2ple s ILE 99 CO -0.07 0.52 0.75 -0.46 -1.23 0.00 0.00 174.94 174.45 2ple n ASN 100 N 4.05 1.65 0.00 3.58 0.23 -1.26 -4.58 115.26 118.93 2ple n ASN 100 Ca -0.19 -1.34 0.00 0.00 -0.53 0.00 0.00 54.58 52.52 2ple n ASN 100 Cb 0.52 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2ple n ASN 100 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2ple n GLU 101 N 0.38 0.00 -2.62 -3.83 2.13 -1.26 -5.04 120.64 110.40 2ple n GLU 101 Ca 0.04 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.43 2ple n GLU 101 Cb 0.19 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.90 2ple n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2ple n GLU 102 N 0.00 3.22 -3.65 5.31 1.02 -1.26 -4.87 120.64 120.42 2ple n GLU 102 Ca 0.00 -3.35 -0.12 0.00 -0.02 0.00 0.00 57.16 53.68 2ple n GLU 102 Cb 0.00 -3.44 -0.07 0.00 -0.02 0.00 0.00 31.44 27.90 2ple n GLU 102 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2ple s ASN 103 N 4.06 -0.77 0.00 1.62 3.84 -1.26 -5.17 114.94 117.25 2ple s ASN 103 Ca 0.53 1.39 0.00 0.00 0.21 0.00 0.00 52.86 54.98 2ple s ASN 103 Cb 0.03 1.35 0.00 0.00 -0.55 0.00 0.00 41.25 42.08 2ple s ASN 103 CO 0.07 -0.23 0.00 -1.54 -2.79 0.00 0.00 177.10 172.61 2ple n SER 104 N 3.31 0.85 -0.70 -4.21 3.41 -1.26 -4.86 113.62 110.16 2ple n SER 104 Ca -0.16 -0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2ple n SER 104 Cb 0.56 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 2ple n SER 104 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34