#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctk s SER 2 N 0.00 4.16 0.29 1.61 0.15 -1.26 -5.08 113.70 113.57 2ctk s SER 2 Ca 0.00 -2.39 -0.20 0.00 0.70 0.00 0.00 55.95 54.07 2ctk s SER 2 Cb 0.00 -1.28 0.02 0.00 -1.71 0.00 0.00 66.02 63.05 2ctk s SER 2 CO 0.00 -0.32 0.71 -0.44 1.20 0.00 0.00 173.24 174.39 2ctk s SER 3 N 0.61 -0.21 0.00 5.45 0.01 -1.26 -5.16 113.70 113.15 2ctk s SER 3 Ca 0.14 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2ctk s SER 3 Cb -0.22 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2ctk s SER 3 CO -0.07 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.81 2ctk n GLY 4 N -0.46 2.98 3.41 3.44 0.00 -1.26 -5.15 105.19 108.14 2ctk n GLY 4 Ca -0.04 -1.44 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 2ctk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctk s SER 5 N 0.00 -0.47 0.88 1.61 0.01 -1.26 -5.16 113.70 109.31 2ctk s SER 5 Ca 0.00 0.48 -0.15 0.00 1.31 0.00 0.00 55.95 57.59 2ctk s SER 5 Cb 0.00 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 2ctk s SER 5 CO 0.00 -0.54 0.24 -1.20 0.41 0.00 0.00 173.24 172.15 2ctk n SER 6 N 1.09 -2.47 -1.91 2.44 7.64 -1.26 -5.02 113.62 114.13 2ctk n SER 6 Ca -0.20 0.39 -0.07 0.00 1.01 0.00 0.00 58.87 60.01 2ctk n SER 6 Cb 0.57 -1.13 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 2ctk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctk n GLY 7 N 1.87 2.72 3.41 0.23 0.00 -1.26 -5.18 105.19 106.99 2ctk n GLY 7 Ca 0.06 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 2ctk n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ctk s LYS 8 N -2.37 1.51 -0.15 1.61 0.00 -1.26 -5.15 119.74 113.92 2ctk s LYS 8 Ca 0.13 -1.65 -0.30 0.00 0.00 0.00 0.00 55.97 54.16 2ctk s LYS 8 Cb -0.00 -1.53 0.13 0.00 0.00 0.00 0.00 37.83 36.42 2ctk s LYS 8 CO 0.10 0.29 0.99 -1.83 0.00 0.00 0.00 175.35 174.89 2ctk s GLU 9 N -3.37 0.61 -0.30 1.78 1.03 -1.26 -5.16 118.70 112.03 2ctk s GLU 9 Ca 0.25 0.13 -0.12 0.00 0.03 0.00 0.00 54.97 55.26 2ctk s GLU 9 Cb -0.04 0.29 0.17 0.00 -0.80 0.00 0.00 34.13 33.75 2ctk s GLU 9 CO 0.11 -0.19 0.94 0.00 -1.33 0.00 0.00 175.26 174.79 2ctk s ALA 10 N -1.19 -2.88 -0.21 -0.84 0.00 -1.26 -5.17 121.76 110.21 2ctk s ALA 10 Ca -0.02 1.82 -0.26 0.00 0.00 0.00 0.00 51.96 53.50 2ctk s ALA 10 Cb -0.00 -2.22 0.07 0.00 0.00 0.00 0.00 23.12 20.97 2ctk s ALA 10 CO 0.01 -1.18 0.69 -1.17 0.00 0.00 0.00 175.76 174.11 2ctk s LEU 11 N 2.70 -0.66 -0.25 0.00 0.20 -1.26 -5.14 118.68 114.27 2ctk s LEU 11 Ca 0.01 1.23 -0.01 0.00 0.69 0.00 0.00 54.13 56.05 2ctk s LEU 11 Cb -0.09 2.43 0.08 0.00 -0.43 0.00 0.00 46.19 48.18 2ctk s LEU 11 CO -0.16 -0.34 0.03 -1.83 -0.29 0.00 0.00 176.35 173.77 2ctk s GLU 12 N -0.04 0.99 -0.03 1.98 -1.05 -1.26 -4.91 118.70 114.38 2ctk s GLU 12 Ca -0.03 -0.88 0.05 0.00 -0.15 0.00 0.00 54.97 53.97 2ctk s GLU 12 Cb -0.04 -2.26 -0.01 0.00 -0.44 0.00 0.00 34.13 31.38 2ctk s GLU 12 CO 0.03 -0.76 -0.19 0.00 0.95 0.00 0.00 175.26 175.29 2ctk s ALA 13 N 1.60 1.65 0.12 -0.84 0.00 -1.26 -5.03 121.76 117.99 2ctk s ALA 13 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 2ctk s ALA 13 Cb -0.18 -0.47 -0.12 0.00 0.00 0.00 0.00 23.12 22.36 2ctk s ALA 13 CO -0.13 0.36 1.30 1.37 0.00 0.00 0.00 175.76 178.65 2ctk h LEU 14 N 5.89 0.70 -9.46 0.00 8.10 -2.05 -3.44 115.31 115.06 2ctk h LEU 14 Ca -0.36 -0.53 -0.56 0.00 0.11 0.00 0.00 57.88 56.54 2ctk h LEU 14 Cb 1.16 -0.21 -0.06 0.00 -0.44 0.00 0.00 40.66 41.11 2ctk h LEU 14 CO 0.48 1.32 0.01 -0.69 -4.11 0.00 0.00 178.44 175.45 2ctk s VAL 15 N -3.43 4.97 1.20 0.15 1.01 -1.26 -5.04 120.40 117.99 2ctk s VAL 15 Ca -0.08 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.01 2ctk s VAL 15 Cb 0.09 -3.96 0.29 0.00 0.00 0.00 0.00 36.38 32.79 2ctk s VAL 15 CO 0.88 0.36 1.11 -2.16 0.00 0.00 0.00 175.10 175.29 2ctk s PRO 16 N 0.20 -1.22 0.16 2.72 0.04 -1.26 -4.89 135.00 130.76 2ctk s PRO 16 Ca 0.33 -0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.21 2ctk s PRO 16 Cb -0.18 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 2ctk s PRO 16 CO 0.17 -3.71 0.28 0.14 0.04 0.00 0.00 177.00 173.92 2ctk s VAL 17 N -3.01 0.06 -0.10 -0.36 -7.23 -0.55 -4.87 120.40 104.34 2ctk s VAL 17 Ca 0.71 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 2ctk s VAL 17 Cb -0.10 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2ctk s VAL 17 CO 0.56 -0.29 0.03 -0.89 -0.31 0.00 0.00 175.10 174.20 2ctk s THR 18 N -3.97 4.56 0.47 5.32 2.01 -1.26 -0.03 115.64 122.73 2ctk s THR 18 Ca 0.17 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.03 2ctk s THR 18 Cb 0.03 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.61 2ctk s THR 18 CO 0.00 0.59 0.05 2.30 -0.69 0.00 0.00 174.62 176.88 2ctk n ILE 19 N 2.26 0.00 -4.23 1.82 -5.35 0.10 -4.91 119.36 109.05 2ctk n ILE 19 Ca -0.19 -2.14 -0.22 0.00 -0.27 0.00 0.00 62.75 59.94 2ctk n ILE 19 Cb 0.54 0.36 -0.16 0.00 -1.74 0.00 0.00 39.64 38.63 2ctk n ILE 19 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2ctk s GLU 20 N -3.71 1.06 -0.07 6.28 2.02 -1.26 -2.40 118.70 120.62 2ctk s GLU 20 Ca 0.04 -0.18 0.05 0.00 0.02 0.00 0.00 54.97 54.90 2ctk s GLU 20 Cb -0.00 -1.02 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 2ctk s GLU 20 CO 0.03 -0.07 -0.22 0.08 0.02 0.00 0.00 175.26 175.09 2ctk s VAL 21 N 0.94 2.32 -0.69 2.63 1.01 0.69 -4.95 120.40 122.36 2ctk s VAL 21 Ca -0.10 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 2ctk s VAL 21 Cb -0.14 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.40 2ctk s VAL 21 CO 0.00 0.57 1.20 -1.61 0.00 0.00 0.00 175.10 175.26 2ctk s GLU 22 N -0.18 3.23 -0.03 2.72 2.02 -1.26 -1.11 118.70 124.09 2ctk s GLU 22 Ca -0.02 -0.26 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 2ctk s GLU 22 Cb -0.14 -4.16 0.02 0.00 0.10 0.00 0.00 34.13 29.96 2ctk s GLU 22 CO 0.03 -1.99 0.05 0.08 0.02 0.00 0.00 175.26 173.45 2ctk s VAL 23 N 5.27 -0.04 0.31 2.63 1.01 0.22 -5.01 120.40 124.79 2ctk s VAL 23 Ca 0.34 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 2ctk s VAL 23 Cb -0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 36.38 36.08 2ctk s VAL 23 CO 0.16 0.06 1.23 -2.16 0.00 0.00 0.00 175.10 174.39 2ctk s PRO 24 N 0.77 4.46 0.55 2.72 0.04 -1.26 -3.94 135.00 138.34 2ctk s PRO 24 Ca -0.06 2.06 0.21 0.00 0.04 0.00 0.00 61.00 63.25 2ctk s PRO 24 Cb -0.09 -3.12 1.47 0.00 0.04 0.00 0.00 34.50 32.81 2ctk s PRO 24 CO -0.03 -0.04 2.18 0.35 0.04 0.00 0.00 177.00 179.51 2ctk h PHE 25 N 3.56 0.00 -0.00 0.56 3.04 -1.88 -0.87 116.94 121.36 2ctk h PHE 25 Ca -0.48 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.45 2ctk h PHE 25 Cb 1.22 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.73 2ctk h PHE 25 CO 0.57 0.00 -0.10 0.38 -2.02 0.00 0.00 178.31 177.14 2ctk h ASP 26 N 0.00 0.00 1.05 0.41 3.04 -1.96 -1.83 116.42 117.14 2ctk h ASP 26 Ca 0.01 -0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.68 2ctk h ASP 26 Cb 0.03 -0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.30 2ctk h ASP 26 CO -0.00 0.10 -1.00 -0.07 -2.04 0.00 0.00 179.24 176.23 2ctk h LEU 27 N 0.00 0.00 -0.59 0.15 3.38 -1.54 -3.36 115.31 113.34 2ctk h LEU 27 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2ctk h LEU 27 Cb 0.17 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2ctk h LEU 27 CO 0.01 0.46 -0.13 0.45 0.09 0.00 0.00 178.44 179.32 2ctk h HIS 28 N 0.00 -0.27 -0.21 1.13 3.86 -1.05 0.72 115.15 119.32 2ctk h HIS 28 Ca -0.08 0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 2ctk h HIS 28 Cb 1.42 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 30.09 2ctk h HIS 28 CO 0.00 -0.24 0.23 0.07 0.86 0.00 0.00 177.93 178.85 2ctk h ARG 29 N 0.02 0.00 0.01 2.45 0.11 -1.71 0.17 114.38 115.43 2ctk h ARG 29 Ca 0.29 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.06 2ctk h ARG 29 Cb 0.44 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.48 2ctk h ARG 29 CO -0.59 0.00 -1.82 0.66 0.10 0.00 0.00 179.97 178.31 2ctk n TYR 30 N -3.78 0.90 0.01 4.08 4.01 0.20 -3.51 117.16 119.07 2ctk n TYR 30 Ca 0.02 0.31 -0.12 0.00 -0.16 0.00 0.00 57.90 57.95 2ctk n TYR 30 Cb 0.36 -1.16 -0.09 0.00 -0.31 0.00 0.00 39.34 38.13 2ctk n TYR 30 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2ctk h VAL 31 N 0.01 1.21 0.34 -0.72 2.07 0.15 -3.34 116.25 115.97 2ctk h VAL 31 Ca -0.33 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 2ctk h VAL 31 Cb 2.04 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.84 2ctk h VAL 31 CO 0.07 0.31 -0.25 0.40 0.02 0.00 0.00 177.57 178.13 2ctk h ILE 32 N -0.74 0.47 0.00 4.57 2.04 -0.96 -3.19 117.51 119.70 2ctk h ILE 32 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2ctk h ILE 32 Cb 0.59 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2ctk h ILE 32 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.78 2ctk n GLY 33 N -1.38 0.46 0.28 5.37 0.00 -1.23 -3.21 105.19 105.48 2ctk n GLY 33 Ca -0.10 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 2ctk n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ctk h GLN 34 N 0.00 -0.61 -1.40 1.61 5.75 -1.94 -3.33 115.11 115.19 2ctk h GLN 34 Ca 0.00 0.04 -0.64 0.00 -0.15 0.00 0.00 58.65 57.90 2ctk h GLN 34 Cb 0.00 0.14 -0.36 0.00 1.07 0.00 0.00 27.48 28.33 2ctk h GLN 34 CO 0.00 -0.31 -0.02 1.63 -2.65 0.00 0.00 178.83 177.47 2ctk n LYS 35 N -5.22 3.18 -4.43 1.69 5.02 -1.26 -4.91 118.16 112.22 2ctk n LYS 35 Ca -0.10 -3.99 -0.40 0.00 -2.02 0.00 0.00 58.31 51.81 2ctk n LYS 35 Cb 0.30 -2.27 -0.07 0.00 -0.02 0.00 0.00 35.03 32.97 2ctk n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ctk n GLY 36 N -0.61 -0.38 0.08 0.72 0.00 -1.25 -4.79 105.19 98.96 2ctk n GLY 36 Ca 0.48 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2ctk n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctk n SER 37 N -2.56 0.46 -0.10 1.61 3.41 -1.23 -3.04 113.62 112.17 2ctk n SER 37 Ca 0.06 0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.75 2ctk n SER 37 Cb 0.49 0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 65.06 2ctk n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2ctk h GLY 38 N 3.82 0.69 1.24 5.00 0.00 -1.76 -2.91 103.07 109.16 2ctk h GLY 38 Ca -0.28 -0.63 -0.32 0.00 0.00 0.00 0.00 47.33 46.10 2ctk h GLY 38 CO 0.04 0.57 -1.52 -2.22 0.00 0.00 0.00 176.54 173.41 2ctk h ILE 39 N 0.39 1.19 -0.91 2.60 2.04 -1.60 -3.32 117.51 117.90 2ctk h ILE 39 Ca 0.07 -2.76 0.15 0.00 1.00 0.00 0.00 64.86 63.32 2ctk h ILE 39 Cb 0.68 2.86 -0.07 0.00 -0.74 0.00 0.00 36.82 39.55 2ctk h ILE 39 CO 0.05 0.84 0.58 -0.09 0.00 0.00 0.00 178.15 179.53 2ctk h ARG 40 N 0.10 0.66 -0.07 2.37 2.43 -1.60 -1.36 114.38 116.90 2ctk h ARG 40 Ca -0.25 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 58.91 2ctk h ARG 40 Cb 2.06 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.43 2ctk h ARG 40 CO 0.20 0.44 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.77 2ctk h LYS 41 N 0.68 -0.15 0.75 0.20 1.63 -1.61 -2.22 116.57 115.85 2ctk h LYS 41 Ca 0.46 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.24 2ctk h LYS 41 Cb 0.77 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2ctk h LYS 41 CO -0.22 -0.10 -0.36 0.52 -3.45 0.00 0.00 179.45 175.85 2ctk h MET 42 N -0.15 -0.96 -1.77 1.90 2.86 -1.46 -0.53 114.93 114.81 2ctk h MET 42 Ca 0.06 0.07 0.51 0.00 -2.06 0.00 0.00 59.70 58.28 2ctk h MET 42 Cb 0.24 0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.05 2ctk h MET 42 CO -0.16 -0.63 1.35 0.52 1.06 0.00 0.00 176.91 179.05 2ctk h MET 43 N -1.21 0.00 0.03 1.72 2.86 -1.24 2.04 114.93 119.12 2ctk h MET 43 Ca -0.10 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.23 2ctk h MET 43 Cb 0.78 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 2ctk h MET 43 CO 0.17 0.00 -1.75 -0.44 1.06 0.00 0.00 176.91 175.95 2ctk h ASP 44 N 0.00 0.09 -0.03 1.22 3.32 -1.12 -1.33 116.42 118.57 2ctk h ASP 44 Ca 0.84 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.66 2ctk h ASP 44 Cb 3.53 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 43.05 2ctk h ASP 44 CO -0.01 1.18 -0.09 1.05 -1.72 0.00 0.00 179.24 179.65 2ctk h GLU 45 N 0.02 0.10 0.00 3.56 4.11 0.47 -3.28 114.58 119.56 2ctk h GLU 45 Ca -0.31 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2ctk h GLU 45 Cb 2.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2ctk h GLU 45 CO 0.08 0.71 -0.70 0.74 0.07 0.00 0.00 179.01 179.91 2ctk h PHE 46 N -0.48 0.00 -4.47 2.06 0.04 -0.61 -3.48 116.94 109.99 2ctk h PHE 46 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.49 2ctk h PHE 46 Cb 0.72 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.97 2ctk h PHE 46 CO 0.14 0.00 -0.50 0.39 -0.60 0.00 0.00 178.31 177.74 2ctk n GLU 47 N -2.11 -5.46 -3.54 1.51 1.02 -0.57 -4.89 120.64 106.60 2ctk n GLU 47 Ca 0.03 0.59 -0.18 0.00 -0.02 0.00 0.00 57.16 57.58 2ctk n GLU 47 Cb 0.44 -4.90 -0.04 0.00 -0.02 0.00 0.00 31.44 26.92 2ctk n GLU 47 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2ctk n VAL 48 N -4.05 0.00 -4.24 2.62 0.24 -0.80 -4.94 118.33 107.16 2ctk n VAL 48 Ca -0.04 -1.41 -0.29 0.00 -2.04 0.00 0.00 64.34 60.56 2ctk n VAL 48 Cb 0.56 0.34 -0.17 0.00 -1.47 0.00 0.00 33.84 33.10 2ctk n VAL 48 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2ctk s ASN 49 N -2.61 2.47 -0.13 -1.34 0.01 -0.39 -4.57 114.94 108.38 2ctk s ASN 49 Ca 0.03 -0.43 -0.01 0.00 -0.71 0.00 0.00 52.86 51.74 2ctk s ASN 49 Cb 0.00 -1.08 -0.02 0.00 0.41 0.00 0.00 41.25 40.56 2ctk s ASN 49 CO 0.02 -0.03 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.86 2ctk s ILE 50 N 1.24 3.33 -0.09 0.60 1.01 -1.26 0.21 121.20 126.24 2ctk s ILE 50 Ca -0.01 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.10 2ctk s ILE 50 Cb -0.14 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.92 2ctk s ILE 50 CO -0.05 0.52 -0.19 -1.00 0.00 0.00 0.00 174.94 174.22 2ctk s HIS 51 N 0.27 2.12 -0.09 3.97 3.76 0.22 -5.02 115.29 120.52 2ctk s HIS 51 Ca -0.07 -0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 53.94 2ctk s HIS 51 Cb -0.15 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 2ctk s HIS 51 CO 0.05 -0.39 -0.01 0.08 -0.85 0.00 0.00 174.74 173.62 2ctk s VAL 52 N 0.57 4.25 0.17 -0.90 1.01 -1.26 -2.21 120.40 122.02 2ctk s VAL 52 Ca -0.15 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2ctk s VAL 52 Cb -0.17 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 2ctk s VAL 52 CO 0.05 0.59 1.32 -2.16 0.00 0.00 0.00 175.10 174.90 2ctk s PRO 53 N -0.73 4.38 1.16 2.72 0.04 -1.26 -5.01 135.00 136.30 2ctk s PRO 53 Ca 0.11 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 2ctk s PRO 53 Cb -0.12 -3.21 0.28 0.00 0.04 0.00 0.00 34.50 31.50 2ctk s PRO 53 CO 0.02 -0.29 1.03 0.00 0.04 0.00 0.00 177.00 177.80 2ctk s ALA 54 N 0.36 -0.48 0.26 8.56 0.00 -1.26 -4.78 121.76 124.42 2ctk s ALA 54 Ca 0.58 -0.03 0.19 0.00 0.00 0.00 0.00 51.96 52.70 2ctk s ALA 54 Cb -0.36 -3.28 0.81 0.00 0.00 0.00 0.00 23.12 20.29 2ctk s ALA 54 CO 0.36 -3.89 1.81 -1.00 0.00 0.00 0.00 175.76 173.04 2ctk h PRO 55 N -2.66 0.00 0.00 0.00 0.13 -1.98 -2.61 132.00 124.88 2ctk h PRO 55 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2ctk h PRO 55 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2ctk h PRO 55 CO 0.49 0.34 0.00 1.05 -0.23 0.00 0.00 178.00 179.65 2ctk h GLU 56 N 0.00 0.00 0.00 0.86 4.11 -2.03 -2.87 114.58 114.65 2ctk h GLU 56 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 2ctk h GLU 56 Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 2ctk h GLU 56 CO 0.04 0.00 -1.86 1.28 0.07 0.00 0.00 179.01 178.54 2ctk n LEU 57 N -2.35 0.46 -3.78 3.06 4.77 -0.99 -5.00 117.00 113.16 2ctk n LEU 57 Ca 0.03 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.95 2ctk n LEU 57 Cb 0.28 0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2ctk n LEU 57 CO 0.23 0.28 -0.13 0.00 -1.33 0.00 0.00 177.39 176.43 2ctk n GLN 58 N -2.78 -2.85 -4.68 3.23 6.02 -1.09 -4.97 117.38 110.27 2ctk n GLN 58 Ca -0.18 0.48 -0.33 0.00 -0.01 0.00 0.00 57.00 56.96 2ctk n GLN 58 Cb 0.94 -4.54 -0.12 0.00 1.02 0.00 0.00 30.24 27.55 2ctk n GLN 58 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ctk s SER 59 N -4.02 4.48 -0.19 1.08 0.15 -1.26 -5.01 113.70 108.94 2ctk s SER 59 Ca 0.19 -0.08 0.15 0.00 0.70 0.00 0.00 55.95 56.91 2ctk s SER 59 Cb -0.07 -1.07 0.67 0.00 -1.71 0.00 0.00 66.02 63.84 2ctk s SER 59 CO 0.86 0.35 1.58 0.47 1.20 0.00 0.00 173.24 177.70 2ctk n ASP 60 N 2.17 4.75 -4.13 5.45 8.00 -1.26 -4.47 116.55 127.07 2ctk n ASP 60 Ca -0.17 -2.90 -0.33 0.00 0.71 0.00 0.00 54.79 52.09 2ctk n ASP 60 Cb 0.53 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.88 2ctk n ASP 60 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ctk s ILE 61 N -2.66 2.34 -0.03 0.53 -1.09 -1.25 -0.61 121.20 118.43 2ctk s ILE 61 Ca 0.48 -1.20 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 2ctk s ILE 61 Cb 0.37 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 39.01 2ctk s ILE 61 CO 0.14 0.25 0.44 -0.63 -1.23 0.00 0.00 174.94 173.91 2ctk s ILE 62 N 1.24 5.04 -0.18 2.92 1.01 -0.27 -4.64 121.20 126.32 2ctk s ILE 62 Ca -0.01 0.91 -0.09 0.00 0.00 0.00 0.00 60.65 61.46 2ctk s ILE 62 Cb -0.16 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2ctk s ILE 62 CO -0.08 0.51 0.10 0.00 0.00 0.00 0.00 174.94 175.47 2ctk s ALA 63 N -0.59 3.59 -0.12 9.38 0.00 -0.94 -0.22 121.76 132.86 2ctk s ALA 63 Ca 0.25 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2ctk s ALA 63 Cb -0.17 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.93 2ctk s ALA 63 CO 0.13 0.22 -0.17 0.42 0.00 0.00 0.00 175.76 176.35 2ctk s ILE 64 N 0.22 1.66 -0.10 0.00 1.01 -1.01 -0.61 121.20 122.38 2ctk s ILE 64 Ca 0.07 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 2ctk s ILE 64 Cb -0.12 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 2ctk s ILE 64 CO -0.01 0.47 0.16 -0.89 0.00 0.00 0.00 174.94 174.67 2ctk s THR 65 N 0.95 5.48 0.00 2.92 2.01 0.13 0.03 115.64 127.16 2ctk s THR 65 Ca -0.06 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2ctk s THR 65 Cb -0.15 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2ctk s THR 65 CO -0.02 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 2ctk n GLY 66 N 1.82 1.98 3.76 4.40 0.00 0.96 -1.27 105.19 116.85 2ctk n GLY 66 Ca -0.18 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2ctk n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ctk s LEU 67 N 0.00 4.35 0.45 0.99 1.43 -1.26 -1.49 118.68 123.15 2ctk s LEU 67 Ca 0.00 2.91 0.34 0.00 -1.03 0.00 0.00 54.13 56.35 2ctk s LEU 67 Cb 0.00 -3.65 1.51 0.00 0.03 0.00 0.00 46.19 44.08 2ctk s LEU 67 CO 0.00 -0.81 1.55 0.00 0.23 0.00 0.00 176.35 177.32 2ctk n ALA 68 N 1.27 1.41 -0.04 4.21 0.00 -1.26 0.11 120.51 126.21 2ctk n ALA 68 Ca 0.04 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.19 2ctk n ALA 68 Cb 0.39 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 2ctk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctk h ALA 69 N 1.52 0.13 -0.48 0.00 0.00 -1.91 -2.91 119.26 115.63 2ctk h ALA 69 Ca 0.88 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 55.43 2ctk h ALA 69 Cb 2.92 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.66 2ctk h ALA 69 CO -0.42 -0.08 -0.10 -0.91 0.00 0.00 0.00 179.25 177.73 2ctk h ASN 70 N -0.18 0.92 -0.86 0.00 2.35 0.38 -2.89 115.58 115.30 2ctk h ASN 70 Ca 0.02 -0.36 0.14 0.00 -0.55 0.00 0.00 56.30 55.56 2ctk h ASN 70 Cb 0.53 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 2ctk h ASN 70 CO 0.02 1.06 0.56 -0.07 -1.65 0.00 0.00 177.43 177.35 2ctk h LEU 71 N 0.76 0.60 0.64 1.61 3.38 -0.65 0.13 115.31 121.79 2ctk h LEU 71 Ca 0.12 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2ctk h LEU 71 Cb 0.65 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2ctk h LEU 71 CO 0.05 0.31 -0.31 0.44 0.09 0.00 0.00 178.44 179.02 2ctk h ASP 72 N 0.64 -0.73 -0.51 -0.43 3.32 -1.30 0.20 116.42 117.61 2ctk h ASP 72 Ca 0.43 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.58 2ctk h ASP 72 Cb 0.74 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 2ctk h ASP 72 CO -0.19 -0.41 0.16 0.08 -1.72 0.00 0.00 179.24 177.16 2ctk h ARG 73 N -1.08 0.31 0.90 3.56 0.11 -1.40 -0.66 114.38 116.12 2ctk h ARG 73 Ca -0.09 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.93 2ctk h ARG 73 Cb 0.66 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.68 2ctk h ARG 73 CO 0.14 0.21 -0.43 0.00 0.10 0.00 0.00 179.97 179.99 2ctk h ALA 74 N 1.36 -1.23 -1.12 0.08 0.00 -0.79 -2.76 119.26 114.80 2ctk h ALA 74 Ca 0.25 -0.26 0.31 0.00 0.00 0.00 0.00 54.91 55.21 2ctk h ALA 74 Cb 0.30 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2ctk h ALA 74 CO -0.28 -1.14 0.75 -0.22 0.00 0.00 0.00 179.25 178.36 2ctk h LYS 75 N -1.29 0.21 -0.67 0.00 3.64 -0.43 0.48 116.57 118.50 2ctk h LYS 75 Ca -0.12 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2ctk h LYS 75 Cb 0.92 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2ctk h LYS 75 CO 0.20 0.14 0.22 0.00 -2.27 0.00 0.00 179.45 177.74 2ctk h ALA 76 N 1.54 1.11 -0.30 5.00 0.00 -0.85 -1.08 119.26 124.68 2ctk h ALA 76 Ca 0.60 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 2ctk h ALA 76 Cb 1.88 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2ctk h ALA 76 CO -0.19 0.61 -0.39 0.78 0.00 0.00 0.00 179.25 180.06 2ctk h GLY 77 N 1.07 0.77 0.50 0.00 0.00 0.20 -2.76 103.07 102.85 2ctk h GLY 77 Ca 0.22 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2ctk h GLY 77 CO -0.01 0.69 -0.06 -2.00 0.00 0.00 0.00 176.54 175.16 2ctk h LEU 78 N 0.58 -0.14 -0.57 3.11 5.85 -1.22 -2.38 115.31 120.54 2ctk h LEU 78 Ca 0.05 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.51 2ctk h LEU 78 Cb 0.92 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 2ctk h LEU 78 CO 0.08 0.34 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.43 2ctk h LEU 79 N -0.67 -0.29 -1.76 2.25 3.38 -1.26 0.37 115.31 117.33 2ctk h LEU 79 Ca -0.02 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2ctk h LEU 79 Cb 0.51 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2ctk h LEU 79 CO 0.03 -0.11 -0.16 -0.33 0.09 0.00 0.00 178.44 177.96 2ctk h GLU 80 N 0.10 0.00 -0.03 1.13 5.08 -1.53 -2.16 114.58 117.17 2ctk h GLU 80 Ca 0.29 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 2ctk h GLU 80 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2ctk h GLU 80 CO -0.50 0.16 -0.88 -0.09 -1.00 0.00 0.00 179.01 176.70 2ctk h ARG 81 N 0.00 0.46 -0.09 2.33 9.65 0.20 -1.63 114.38 125.30 2ctk h ARG 81 Ca -0.00 -0.46 -0.17 0.00 -1.10 0.00 0.00 59.98 58.26 2ctk h ARG 81 Cb 0.39 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 2ctk h ARG 81 CO 0.02 1.10 -0.66 0.28 2.80 0.00 0.00 179.97 183.51 2ctk h VAL 82 N 0.28 1.38 0.04 0.20 2.07 -0.55 0.22 116.25 119.88 2ctk h VAL 82 Ca -0.07 -2.06 -0.23 0.00 0.82 0.00 0.00 66.70 65.16 2ctk h VAL 82 Cb 1.51 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2ctk h VAL 82 CO 0.16 0.62 -1.01 0.11 0.02 0.00 0.00 177.57 177.46 2ctk h LYS 83 N 0.25 0.33 0.22 1.57 1.57 -1.42 -2.60 116.57 116.48 2ctk h LYS 83 Ca -0.02 -0.40 -0.30 0.00 -1.87 0.00 0.00 60.65 58.06 2ctk h LYS 83 Cb 1.21 0.13 0.03 0.00 0.08 0.00 0.00 32.23 33.68 2ctk h LYS 83 CO 0.11 1.11 -1.33 0.93 -0.57 0.00 0.00 179.45 179.70 2ctk h GLU 84 N 0.16 0.46 0.58 3.15 5.08 -1.28 -3.04 114.58 119.70 2ctk h GLU 84 Ca -0.09 -0.79 -0.03 0.00 -1.00 0.00 0.00 59.36 57.45 2ctk h GLU 84 Cb 1.67 0.29 0.01 0.00 0.50 0.00 0.00 28.75 31.22 2ctk h GLU 84 CO 0.17 1.38 -0.28 -0.07 -1.00 0.00 0.00 179.01 179.21 2ctk h LEU 85 N -0.00 -0.66 -0.99 1.33 3.38 -0.66 -2.94 115.31 114.76 2ctk h LEU 85 Ca -0.24 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 57.84 2ctk h LEU 85 Cb 2.02 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.86 2ctk h LEU 85 CO 0.23 -0.41 0.62 0.06 0.09 0.00 0.00 178.44 179.03 2ctk h GLN 86 N -0.88 0.94 -0.04 1.13 3.07 -1.62 0.17 115.11 117.89 2ctk h GLN 86 Ca -0.08 -0.06 0.01 0.00 0.09 0.00 0.00 58.65 58.61 2ctk h GLN 86 Cb 0.64 -0.21 -0.00 0.00 0.08 0.00 0.00 27.48 27.98 2ctk h GLN 86 CO 0.13 0.62 0.22 0.00 0.09 0.00 0.00 178.83 179.90 2ctk h ALA 87 N 1.54 1.32 -0.77 0.06 0.00 -1.40 -1.07 119.26 118.94 2ctk h ALA 87 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2ctk h ALA 87 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ctk h ALA 87 CO -0.27 -0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.13 2ctk n GLU 88 N -3.08 0.00 -0.39 0.00 1.02 0.57 -2.89 120.64 115.87 2ctk n GLU 88 Ca -0.02 0.15 0.38 0.00 -0.02 0.00 0.00 57.16 57.66 2ctk n GLU 88 Cb 0.29 -0.58 0.64 0.00 -0.02 0.00 0.00 31.44 31.77 2ctk n GLU 88 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2ctk h GLN 89 N 0.00 0.00 0.20 3.49 3.07 -1.45 1.24 115.11 121.66 2ctk h GLN 89 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.39 2ctk h GLN 89 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.57 2ctk h GLN 89 CO 0.00 0.00 -1.70 1.49 0.09 0.00 0.00 178.83 178.71 2ctk h GLU 90 N 0.00 0.42 -1.02 0.06 4.57 -1.38 -3.26 114.58 113.97 2ctk h GLU 90 Ca 0.65 -0.72 0.29 0.00 -1.18 0.00 0.00 59.36 58.40 2ctk h GLU 90 Cb 3.07 0.27 -0.13 0.00 -0.16 0.00 0.00 28.75 31.79 2ctk h GLU 90 CO -0.01 1.34 0.60 0.22 -1.18 0.00 0.00 179.01 179.99 2ctk h ASP 91 N 0.10 0.57 0.81 1.04 3.58 0.17 0.73 116.42 123.43 2ctk h ASP 91 Ca -0.33 0.16 -0.18 0.00 0.42 0.00 0.00 57.03 57.09 2ctk h ASP 91 Cb 2.11 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 43.22 2ctk h ASP 91 CO 0.19 -0.02 -0.87 0.08 -2.88 0.00 0.00 179.24 175.74 2ctk h ARG 92 N 0.43 0.03 -0.09 0.28 0.11 -1.64 -3.22 114.38 110.29 2ctk h ARG 92 Ca 0.69 -0.04 -0.15 0.00 0.10 0.00 0.00 59.98 60.58 2ctk h ARG 92 Cb 1.50 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.59 2ctk h ARG 92 CO -0.52 0.88 -0.59 0.00 0.10 0.00 0.00 179.97 179.83 2ctk h ALA 93 N 1.10 0.82 -0.89 0.08 0.00 0.26 -3.13 119.26 117.51 2ctk h ALA 93 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2ctk h ALA 93 Cb 1.53 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2ctk h ALA 93 CO 0.12 0.72 0.54 1.37 0.00 0.00 0.00 179.25 181.99 2ctk h LEU 94 N 0.22 1.08 -8.46 0.00 8.10 -0.65 -3.44 115.31 112.16 2ctk h LEU 94 Ca -0.00 -0.07 -0.74 0.00 0.11 0.00 0.00 57.88 57.18 2ctk h LEU 94 Cb 1.10 -0.27 0.05 0.00 -0.44 0.00 0.00 40.66 41.10 2ctk h LEU 94 CO 0.10 0.83 0.03 0.54 -4.11 0.00 0.00 178.44 175.83 2ctk n ARG 95 N -4.39 0.00 -3.44 0.17 1.74 -1.19 0.02 116.66 109.57 2ctk n ARG 95 Ca 0.10 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.96 2ctk n ARG 95 Cb 0.06 -1.39 0.07 0.00 -1.02 0.00 0.00 32.46 30.18 2ctk n ARG 95 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ctk n SER 96 N 1.43 -5.98 0.48 0.55 7.64 -1.26 -4.93 113.62 111.55 2ctk n SER 96 Ca 0.19 -0.46 -0.19 0.00 1.01 0.00 0.00 58.87 59.41 2ctk n SER 96 Cb 0.08 -4.62 -0.09 0.00 -1.01 0.00 0.00 64.21 58.57 2ctk n SER 96 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2ctk h PHE 97 N -2.34 -1.14 -1.73 1.43 3.57 -0.69 -3.45 116.94 112.59 2ctk h PHE 97 Ca -0.51 -0.03 -0.58 0.00 3.53 0.00 0.00 57.97 60.38 2ctk h PHE 97 Cb 1.34 0.38 -0.10 0.00 2.79 0.00 0.00 35.95 40.36 2ctk h PHE 97 CO 0.46 -0.71 -0.55 0.15 -2.23 0.00 0.00 178.31 175.43 2ctk s LYS 98 N -5.63 2.16 0.00 1.11 -0.14 -1.26 -5.06 119.74 110.92 2ctk s LYS 98 Ca -0.18 -1.82 -0.25 0.00 -1.36 0.00 0.00 55.97 52.36 2ctk s LYS 98 Cb 0.02 -1.94 -0.19 0.00 -1.68 0.00 0.00 37.83 34.04 2ctk s LYS 98 CO 0.55 -0.01 1.32 0.66 -0.76 0.00 0.00 175.35 177.12 2ctk h SER 99 N 1.59 -0.07 -2.81 2.83 4.64 -2.03 -3.44 113.55 114.25 2ctk h SER 99 Ca -0.43 -0.34 -0.60 0.00 -0.47 0.00 0.00 61.79 59.95 2ctk h SER 99 Cb 1.25 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 2ctk h SER 99 CO 0.70 0.31 -0.50 -0.83 -0.87 0.00 0.00 176.83 175.64 2ctk s GLY 100 N -2.93 2.02 0.71 -0.77 0.00 -1.26 -5.10 107.32 99.99 2ctk s GLY 100 Ca -0.15 -0.92 -0.13 0.00 0.00 0.00 0.00 44.72 43.52 2ctk s GLY 100 CO 0.64 -0.91 1.10 2.56 0.00 0.00 0.00 173.10 176.50 2ctk s PRO 101 N -2.74 2.54 -0.30 2.90 0.04 -1.26 -5.06 135.00 131.12 2ctk s PRO 101 Ca 0.34 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 2ctk s PRO 101 Cb -0.12 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.67 2ctk s PRO 101 CO 0.28 -1.44 1.06 0.45 0.04 0.00 0.00 177.00 177.39 2ctk s SER 102 N -2.95 -0.45 0.31 6.66 0.15 -1.26 -5.16 113.70 110.99 2ctk s SER 102 Ca 0.64 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.84 2ctk s SER 102 Cb -0.19 1.47 -0.06 0.00 -1.71 0.00 0.00 66.02 65.53 2ctk s SER 102 CO 0.48 -0.09 0.05 -0.94 1.20 0.00 0.00 173.24 173.94 2ctk s SER 103 N 2.52 2.27 0.00 5.45 1.04 -1.26 -5.17 113.70 118.55 2ctk s SER 103 Ca -0.01 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2ctk s SER 103 Cb -0.06 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2ctk s SER 103 CO -0.15 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.09