#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctk n SER 2 N 0.00 1.73 -4.38 1.61 3.41 -1.26 -4.83 113.62 109.90 2ctk n SER 2 Ca 0.00 0.16 -0.46 0.00 -0.26 0.00 0.00 58.87 58.31 2ctk n SER 2 Cb 0.00 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 2ctk n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ctk s SER 3 N -6.61 6.64 -0.30 4.04 0.01 -1.26 -4.84 113.70 111.38 2ctk s SER 3 Ca -0.28 -2.31 0.11 0.00 1.31 0.00 0.00 55.95 54.78 2ctk s SER 3 Cb 0.10 -2.29 0.47 0.00 0.21 0.00 0.00 66.02 64.51 2ctk s SER 3 CO 0.39 -0.82 1.15 0.61 0.41 0.00 0.00 173.24 174.98 2ctk n GLY 4 N 4.69 5.03 3.66 3.44 0.00 -1.26 -5.05 105.19 115.70 2ctk n GLY 4 Ca 0.15 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 2ctk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctk s SER 5 N -3.62 6.78 -0.04 1.61 0.15 -1.26 -5.00 113.70 112.33 2ctk s SER 5 Ca 0.44 1.85 -0.01 0.00 0.70 0.00 0.00 55.95 58.92 2ctk s SER 5 Cb 0.39 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2ctk s SER 5 CO -0.01 -0.88 0.07 -0.94 1.20 0.00 0.00 173.24 172.68 2ctk s SER 6 N 2.70 0.21 0.50 5.45 1.04 -1.26 -5.13 113.70 117.21 2ctk s SER 6 Ca 0.63 0.13 -0.19 0.00 0.48 0.00 0.00 55.95 56.99 2ctk s SER 6 Cb -0.26 0.01 -0.12 0.00 0.10 0.00 0.00 66.02 65.75 2ctk s SER 6 CO 0.22 -0.16 0.34 0.61 0.98 0.00 0.00 173.24 175.22 2ctk n GLY 7 N 4.42 -2.02 3.23 7.32 0.00 -1.26 -5.00 105.19 111.87 2ctk n GLY 7 Ca -0.23 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.60 0.83 0.10 1.61 0.00 -1.26 -5.18 119.74 114.24 2ctk s LYS 8 Ca 0.64 -0.72 -0.15 0.00 0.00 0.00 0.00 55.97 55.73 2ctk s LYS 8 Cb -0.51 0.35 0.03 0.00 0.00 0.00 0.00 37.83 37.70 2ctk s LYS 8 CO 0.59 -0.27 0.38 -1.21 0.00 0.00 0.00 175.35 174.83 2ctk s GLU 9 N -3.19 1.01 -0.18 1.78 2.02 -1.26 -5.04 118.70 113.83 2ctk s GLU 9 Ca -0.00 -0.67 0.16 0.00 0.02 0.00 0.00 54.97 54.48 2ctk s GLU 9 Cb 0.02 0.44 0.60 0.00 0.10 0.00 0.00 34.13 35.29 2ctk s GLU 9 CO -0.07 -0.38 1.51 0.00 0.02 0.00 0.00 175.26 176.33 2ctk n ALA 10 N -0.05 3.18 -3.64 5.21 0.00 -1.26 -4.94 120.51 119.01 2ctk n ALA 10 Ca -0.16 -2.12 -0.08 0.00 0.00 0.00 0.00 53.44 51.08 2ctk n ALA 10 Cb 0.63 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 2ctk n ALA 10 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ctk s LEU 11 N -2.67 -0.86 -0.07 0.00 2.96 -1.26 -5.16 118.68 111.63 2ctk s LEU 11 Ca 0.45 1.42 -0.03 0.00 -0.22 0.00 0.00 54.13 55.74 2ctk s LEU 11 Cb 0.35 2.33 0.04 0.00 0.50 0.00 0.00 46.19 49.40 2ctk s LEU 11 CO 0.12 -0.23 0.16 -1.83 -1.32 0.00 0.00 176.35 173.25 2ctk s GLU 12 N 1.34 0.12 0.20 1.98 1.03 -1.26 -5.16 118.70 116.95 2ctk s GLU 12 Ca -0.08 0.37 -0.09 0.00 0.03 0.00 0.00 54.97 55.21 2ctk s GLU 12 Cb -0.05 -0.13 -0.01 0.00 -0.80 0.00 0.00 34.13 33.13 2ctk s GLU 12 CO -0.15 -0.14 0.32 0.00 -1.33 0.00 0.00 175.26 173.95 2ctk s ALA 13 N 1.03 0.18 -0.00 -0.84 0.00 -1.26 -5.08 121.76 115.79 2ctk s ALA 13 Ca -0.08 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2ctk s ALA 13 Cb -0.10 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 2ctk s ALA 13 CO -0.05 -0.71 -0.00 1.47 0.00 0.00 0.00 175.76 176.46 2ctk n LEU 14 N -0.29 2.88 -4.83 0.00 -0.00 -1.26 -5.04 117.00 108.46 2ctk n LEU 14 Ca -0.03 -0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.61 2ctk n LEU 14 Cb 0.63 -0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.99 2ctk n LEU 14 CO 0.26 0.48 -0.04 -0.69 -0.00 0.00 0.00 177.39 177.39 2ctk s VAL 15 N -2.00 5.29 0.17 1.47 1.01 -1.26 -5.05 120.40 120.03 2ctk s VAL 15 Ca -0.00 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2ctk s VAL 15 Cb 0.00 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2ctk s VAL 15 CO 0.00 0.56 0.15 -0.81 0.00 0.00 0.00 175.10 175.00 2ctk n PRO 16 N 2.26 -1.32 -3.84 2.72 -0.04 -1.26 -4.85 135.00 128.67 2ctk n PRO 16 Ca -0.16 -0.24 -0.12 0.00 -0.04 0.00 0.00 63.50 62.94 2ctk n PRO 16 Cb 0.53 -0.23 -0.09 0.00 -0.04 0.00 0.00 33.50 33.68 2ctk n PRO 16 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2ctk s VAL 17 N -1.27 0.08 -0.00 0.52 -7.23 0.71 -4.80 120.40 108.41 2ctk s VAL 17 Ca 0.10 -0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 59.42 2ctk s VAL 17 Cb -0.01 -0.56 -0.06 0.00 0.56 0.00 0.00 36.38 36.31 2ctk s VAL 17 CO 0.07 -0.36 0.52 -0.89 -0.31 0.00 0.00 175.10 174.13 2ctk s THR 18 N -1.56 4.94 0.50 5.32 2.01 -1.26 -1.03 115.64 124.57 2ctk s THR 18 Ca -0.13 1.07 0.01 0.00 0.31 0.00 0.00 61.69 62.96 2ctk s THR 18 Cb -0.06 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 2ctk s THR 18 CO 0.02 0.48 0.02 0.27 -0.69 0.00 0.00 174.62 174.72 2ctk s ILE 19 N -0.53 1.04 -0.11 1.82 -4.36 0.14 -4.92 121.20 114.28 2ctk s ILE 19 Ca 0.27 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 2ctk s ILE 19 Cb -0.18 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.39 2ctk s ILE 19 CO 0.15 0.00 -0.13 -1.61 0.24 0.00 0.00 174.94 173.60 2ctk s GLU 20 N -3.85 1.97 -0.03 0.37 2.02 -1.26 -2.34 118.70 115.58 2ctk s GLU 20 Ca 0.07 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.66 2ctk s GLU 20 Cb 0.01 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.46 2ctk s GLU 20 CO 0.04 -0.12 -0.19 0.08 0.02 0.00 0.00 175.26 175.09 2ctk s VAL 21 N 1.18 2.70 -0.55 2.63 1.01 0.15 -4.96 120.40 122.56 2ctk s VAL 21 Ca -0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 2ctk s VAL 21 Cb -0.14 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.24 2ctk s VAL 21 CO -0.04 0.56 1.10 -1.61 0.00 0.00 0.00 175.10 175.12 2ctk s GLU 22 N -0.76 3.50 -0.12 2.72 2.02 -1.26 -1.37 118.70 123.43 2ctk s GLU 22 Ca 0.11 0.16 -0.05 0.00 0.02 0.00 0.00 54.97 55.21 2ctk s GLU 22 Cb -0.10 -4.00 0.05 0.00 0.10 0.00 0.00 34.13 30.18 2ctk s GLU 22 CO 0.00 -1.55 0.26 0.08 0.02 0.00 0.00 175.26 174.08 2ctk s VAL 23 N 4.53 -0.18 0.24 2.63 1.01 0.21 -4.95 120.40 123.89 2ctk s VAL 23 Ca 0.40 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2ctk s VAL 23 Cb -0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.78 2ctk s VAL 23 CO 0.25 0.08 1.27 -2.16 0.00 0.00 0.00 175.10 174.54 2ctk s PRO 24 N 1.70 4.42 0.45 2.72 0.04 -1.26 -3.87 135.00 139.20 2ctk s PRO 24 Ca -0.06 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.20 2ctk s PRO 24 Cb -0.11 -3.17 1.10 0.00 0.04 0.00 0.00 34.50 32.36 2ctk s PRO 24 CO -0.09 -0.16 1.96 0.35 0.04 0.00 0.00 177.00 179.10 2ctk h PHE 25 N 4.68 0.39 -0.12 0.56 3.04 -1.88 0.53 116.94 124.14 2ctk h PHE 25 Ca -0.46 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.54 2ctk h PHE 25 Cb 1.22 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 2ctk h PHE 25 CO 0.60 0.16 0.39 -0.44 -2.02 0.00 0.00 178.31 177.00 2ctk h ASP 26 N 0.34 0.00 0.19 0.41 3.32 -1.93 0.12 116.42 118.88 2ctk h ASP 26 Ca 0.31 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.02 2ctk h ASP 26 Cb 0.75 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 2ctk h ASP 26 CO -0.08 0.00 -2.11 0.18 -1.72 0.00 0.00 179.24 175.51 2ctk n LEU 27 N -3.11 1.30 -0.34 1.55 4.77 0.17 -4.35 117.00 116.99 2ctk n LEU 27 Ca 0.01 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.28 2ctk n LEU 27 Cb 0.47 -0.16 0.28 0.00 -2.33 0.00 0.00 43.42 41.68 2ctk n LEU 27 CO 0.17 0.61 0.79 0.45 -1.33 0.00 0.00 177.39 178.08 2ctk h HIS 28 N 0.01 -0.08 -1.00 -1.77 3.86 -0.66 1.21 115.15 116.72 2ctk h HIS 28 Ca -0.44 0.07 0.20 0.00 -1.16 0.00 0.00 60.37 59.03 2ctk h HIS 28 Cb 2.07 0.20 -0.11 0.00 1.06 0.00 0.00 27.41 30.63 2ctk h HIS 28 CO 0.02 -0.43 0.61 0.07 0.86 0.00 0.00 177.93 179.06 2ctk h ARG 29 N 0.01 0.72 0.22 2.45 0.11 -1.75 0.14 114.38 116.28 2ctk h ARG 29 Ca 0.59 -0.04 -0.34 0.00 0.10 0.00 0.00 59.98 60.29 2ctk h ARG 29 Cb 1.19 -0.16 0.02 0.00 1.11 0.00 0.00 29.97 32.13 2ctk h ARG 29 CO -0.93 0.48 -1.60 1.88 0.10 0.00 0.00 179.97 179.90 2ctk h TYR 30 N 0.74 0.83 0.59 4.08 0.05 0.10 -3.06 116.97 120.31 2ctk h TYR 30 Ca 0.59 -0.61 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2ctk h TYR 30 Cb 0.94 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 2ctk h TYR 30 CO -0.00 1.62 -0.44 0.28 -1.05 0.00 0.00 178.16 178.57 2ctk h VAL 31 N 0.10 0.12 0.67 -2.88 2.07 0.44 -3.24 116.25 113.53 2ctk h VAL 31 Ca -0.30 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2ctk h VAL 31 Cb 2.11 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2ctk h VAL 31 CO 0.22 0.00 -0.41 0.40 0.02 0.00 0.00 177.57 177.80 2ctk h ILE 32 N -1.00 0.00 -0.94 4.57 2.04 -0.93 -3.23 117.51 118.03 2ctk h ILE 32 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ctk h ILE 32 Cb 0.83 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 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 -1.52 -1.27 3.71 5.37 0.00 -1.15 -1.99 105.19 108.33 2ctk n GLY 33 Ca -0.12 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2ctk n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ctk s GLN 34 N 0.00 4.17 -1.37 1.61 2.00 -1.26 -2.92 119.66 121.89 2ctk s GLN 34 Ca 0.00 2.47 -0.09 0.00 -2.00 0.00 0.00 55.36 55.74 2ctk s GLN 34 Cb 0.00 -3.28 0.01 0.00 0.80 0.00 0.00 33.01 30.55 2ctk s GLN 34 CO 0.00 -0.71 0.17 1.63 -0.50 0.00 0.00 175.29 175.88 2ctk n LYS 35 N 4.53 -0.76 -3.60 1.67 4.76 -1.26 -1.51 118.16 121.98 2ctk n LYS 35 Ca 0.15 0.07 -0.23 0.00 -2.87 0.00 0.00 58.31 55.43 2ctk n LYS 35 Cb 0.38 -3.06 0.00 0.00 -1.84 0.00 0.00 35.03 30.51 2ctk n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctk n GLY 36 N -2.37 -0.85 0.07 0.72 0.00 -1.15 -4.89 105.19 96.71 2ctk n GLY 36 Ca -0.26 0.38 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.63 1.65 -0.33 1.61 3.41 -0.57 -3.23 113.62 114.53 2ctk n SER 37 Ca -0.19 0.59 0.26 0.00 -0.26 0.00 0.00 58.87 59.27 2ctk n SER 37 Cb 0.48 -0.83 0.56 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.91 1.04 1.45 5.00 0.00 -1.71 0.26 103.07 108.19 2ctk h GLY 38 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 46.92 2ctk h GLY 38 CO 0.00 -0.14 -1.00 -2.22 0.00 0.00 0.00 176.54 173.18 2ctk h ILE 39 N 0.30 1.37 0.79 2.60 2.04 -1.73 -3.33 117.51 119.55 2ctk h ILE 39 Ca 0.61 -2.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.01 2ctk h ILE 39 Cb 1.73 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 40.25 2ctk h ILE 39 CO -0.26 0.73 -0.46 -0.09 0.00 0.00 0.00 178.15 178.07 2ctk h ARG 40 N 0.27 -1.12 -0.96 2.37 9.65 -0.49 -1.09 114.38 123.02 2ctk h ARG 40 Ca -0.10 0.08 0.37 0.00 -1.10 0.00 0.00 59.98 59.23 2ctk h ARG 40 Cb 1.64 0.25 -0.17 0.00 -1.39 0.00 0.00 29.97 30.30 2ctk h ARG 40 CO 0.18 -0.74 0.42 0.36 2.80 0.00 0.00 179.97 182.98 2ctk n LYS 41 N -5.60 -0.06 -0.02 0.20 2.85 -0.80 0.35 118.16 115.08 2ctk n LYS 41 Ca -0.15 1.34 -0.13 0.00 -1.05 0.00 0.00 58.31 58.32 2ctk n LYS 41 Cb 0.48 -2.35 -0.10 0.00 -0.65 0.00 0.00 35.03 32.40 2ctk n LYS 41 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 2ctk h MET 42 N 0.00 -0.02 -0.61 -1.58 2.86 -1.57 -1.74 114.93 112.27 2ctk h MET 42 Ca 0.77 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.50 2ctk h MET 42 Cb 1.96 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.55 2ctk h MET 42 CO -0.77 0.58 0.21 0.52 1.06 0.00 0.00 176.91 178.51 2ctk h MET 43 N -0.64 0.37 -0.22 1.72 2.86 0.12 0.24 114.93 119.37 2ctk h MET 43 Ca -0.00 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 2ctk h MET 43 Cb 0.61 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2ctk h MET 43 CO 0.00 0.25 -0.33 -0.44 1.06 0.00 0.00 176.91 177.44 2ctk h ASP 44 N 0.38 0.48 0.37 1.22 5.19 -0.69 1.92 116.42 125.30 2ctk h ASP 44 Ca 0.31 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2ctk h ASP 44 Cb 0.40 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2ctk h ASP 44 CO -0.32 0.79 -0.18 -0.08 -3.12 0.00 0.00 179.24 176.33 2ctk h GLU 45 N 0.40 -0.48 -0.01 3.56 4.57 -0.20 -3.20 114.58 119.21 2ctk h GLU 45 Ca 0.05 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2ctk h GLU 45 Cb 0.78 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2ctk h GLU 45 CO 0.06 -0.16 -0.05 1.19 -1.18 0.00 0.00 179.01 178.87 2ctk n PHE 46 N -5.16 0.00 -3.05 0.92 3.72 0.69 -4.93 117.46 109.65 2ctk n PHE 46 Ca -0.10 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.08 2ctk n PHE 46 Cb 0.28 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.82 2ctk n PHE 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ctk n GLU 47 N -0.02 -4.41 -4.01 -1.08 1.02 0.63 -4.87 120.64 107.89 2ctk n GLU 47 Ca 0.18 0.82 -0.27 0.00 -0.02 0.00 0.00 57.16 57.87 2ctk n GLU 47 Cb 0.35 -5.64 -0.02 0.00 -0.02 0.00 0.00 31.44 26.10 2ctk n GLU 47 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ctk s VAL 48 N -3.11 1.66 -0.17 2.62 -7.23 0.35 -4.95 120.40 109.56 2ctk s VAL 48 Ca 0.30 -1.57 -0.00 0.00 -1.81 0.00 0.00 61.98 58.90 2ctk s VAL 48 Cb -0.14 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.61 2ctk s VAL 48 CO 0.37 0.00 -0.06 0.20 -0.31 0.00 0.00 175.10 175.30 2ctk s ASN 49 N -4.20 2.93 -0.21 4.85 0.01 -0.59 -4.40 114.94 113.33 2ctk s ASN 49 Ca 0.31 -0.70 -0.10 0.00 -0.71 0.00 0.00 52.86 51.66 2ctk s ASN 49 Cb -0.01 -0.97 -0.05 0.00 0.41 0.00 0.00 41.25 40.63 2ctk s ASN 49 CO 0.19 -0.18 0.13 -0.63 -1.51 0.00 0.00 177.10 175.10 2ctk s ILE 50 N 1.59 5.37 -0.10 0.60 1.01 -1.26 -0.25 121.20 128.15 2ctk s ILE 50 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2ctk s ILE 50 Cb -0.15 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2ctk s ILE 50 CO -0.08 0.42 -0.21 -1.00 0.00 0.00 0.00 174.94 174.08 2ctk s HIS 51 N 0.48 2.62 -0.09 3.97 3.76 0.44 -5.01 115.29 121.46 2ctk s HIS 51 Ca 0.08 -0.87 -0.01 0.00 -0.15 0.00 0.00 55.06 54.10 2ctk s HIS 51 Cb -0.12 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 2ctk s HIS 51 CO -0.01 -0.32 -0.02 0.08 -0.85 0.00 0.00 174.74 173.62 2ctk s VAL 52 N 0.25 4.08 0.24 -0.90 1.01 -1.26 -2.02 120.40 121.80 2ctk s VAL 52 Ca -0.14 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2ctk s VAL 52 Cb -0.17 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2ctk s VAL 52 CO 0.07 0.59 1.28 -2.16 0.00 0.00 0.00 175.10 174.88 2ctk s PRO 53 N -0.69 4.42 1.01 2.72 0.04 -1.26 -4.99 135.00 136.25 2ctk s PRO 53 Ca 0.11 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 2ctk s PRO 53 Cb -0.12 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2ctk s PRO 53 CO 0.02 -0.17 -0.17 0.00 0.04 0.00 0.00 177.00 176.72 2ctk n ALA 54 N 1.98 -3.97 0.17 8.56 0.00 -1.26 -4.83 120.51 121.17 2ctk n ALA 54 Ca 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 53.44 52.61 2ctk n ALA 54 Cb 0.43 -1.48 0.30 0.00 0.00 0.00 0.00 19.45 18.70 2ctk n ALA 54 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ctk h PRO 55 N -1.51 0.00 -0.32 0.00 0.13 -1.99 -3.00 132.00 125.31 2ctk h PRO 55 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2ctk h PRO 55 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2ctk h PRO 55 CO 0.31 0.45 -0.16 1.05 -0.23 0.00 0.00 178.00 179.43 2ctk h GLU 56 N 0.00 0.58 0.00 0.86 4.11 -2.02 -2.22 114.58 115.88 2ctk h GLU 56 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2ctk h GLU 56 Cb 0.84 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2ctk h GLU 56 CO 0.06 0.71 0.00 -0.07 0.07 0.00 0.00 179.01 179.78 2ctk h LEU 57 N 0.52 0.00 -1.82 3.06 3.38 -1.86 -3.46 115.31 115.13 2ctk h LEU 57 Ca 0.09 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.49 2ctk h LEU 57 Cb 0.57 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.08 2ctk h LEU 57 CO 0.04 0.00 -0.88 0.00 0.09 0.00 0.00 178.44 177.69 2ctk n GLN 58 N -2.81 -0.88 -3.53 1.13 1.13 -0.84 -4.90 117.38 106.68 2ctk n GLN 58 Ca 0.02 0.10 -0.23 0.00 -1.94 0.00 0.00 57.00 54.94 2ctk n GLN 58 Cb 0.31 -3.61 -0.01 0.00 0.11 0.00 0.00 30.24 27.04 2ctk n GLN 58 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2ctk s SER 59 N -3.92 6.31 -0.13 1.08 0.15 -1.26 -5.00 113.70 110.92 2ctk s SER 59 Ca 0.23 0.37 0.19 0.00 0.70 0.00 0.00 55.95 57.43 2ctk s SER 59 Cb -0.13 -1.99 0.29 0.00 -1.71 0.00 0.00 66.02 62.47 2ctk s SER 59 CO 0.93 -0.23 1.15 0.47 1.20 0.00 0.00 173.24 176.76 2ctk n ASP 60 N -1.62 2.37 -4.09 5.45 8.00 -1.26 -4.11 116.55 121.29 2ctk n ASP 60 Ca -0.06 -3.07 -0.33 0.00 0.71 0.00 0.00 54.79 52.05 2ctk n ASP 60 Cb 0.56 -0.42 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.84 2.29 0.16 0.53 -1.09 -1.25 -0.62 121.20 118.38 2ctk s ILE 61 Ca 0.32 -1.51 -0.17 0.00 -2.23 0.00 0.00 60.65 57.05 2ctk s ILE 61 Cb 0.28 -2.30 -0.07 0.00 -1.58 0.00 0.00 42.46 38.78 2ctk s ILE 61 CO 0.03 0.03 0.62 -0.63 -1.23 0.00 0.00 174.94 173.76 2ctk s ILE 62 N 1.15 4.72 -0.23 2.92 1.01 -0.47 -4.68 121.20 125.61 2ctk s ILE 62 Ca -0.07 1.08 -0.06 0.00 0.00 0.00 0.00 60.65 61.60 2ctk s ILE 62 Cb -0.19 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 2ctk s ILE 62 CO -0.05 0.29 0.03 0.00 0.00 0.00 0.00 174.94 175.21 2ctk s ALA 63 N -1.42 3.06 -0.14 9.38 0.00 -0.86 -0.68 121.76 131.11 2ctk s ALA 63 Ca 0.38 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 2ctk s ALA 63 Cb -0.17 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 2ctk s ALA 63 CO 0.20 -0.41 -0.13 0.42 0.00 0.00 0.00 175.76 175.85 2ctk s ILE 64 N 1.46 3.02 -0.10 0.00 1.01 -0.99 -0.42 121.20 125.18 2ctk s ILE 64 Ca 0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 2ctk s ILE 64 Cb -0.15 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2ctk s ILE 64 CO 0.02 0.51 0.05 -0.89 0.00 0.00 0.00 174.94 174.63 2ctk s THR 65 N 0.52 4.69 0.00 2.92 2.01 0.65 0.27 115.64 126.71 2ctk s THR 65 Ca -0.08 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2ctk s THR 65 Cb -0.16 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2ctk s THR 65 CO 0.04 0.60 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 2ctk n GLY 66 N 2.20 1.95 3.76 4.40 0.00 -0.19 -1.55 105.19 115.76 2ctk n GLY 66 Ca -0.19 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 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 4.36 0.29 0.99 1.43 -1.26 -0.20 118.68 124.29 2ctk s LEU 67 Ca 0.00 2.86 0.14 0.00 -1.03 0.00 0.00 54.13 56.10 2ctk s LEU 67 Cb 0.00 -3.65 0.99 0.00 0.03 0.00 0.00 46.19 43.57 2ctk s LEU 67 CO 0.00 -0.76 1.27 0.00 0.23 0.00 0.00 176.35 177.09 2ctk n ALA 68 N 1.32 0.75 0.10 4.21 0.00 -1.26 0.99 120.51 126.61 2ctk n ALA 68 Ca 0.04 0.83 -0.13 0.00 0.00 0.00 0.00 53.44 54.18 2ctk n ALA 68 Cb 0.40 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 1.62 -0.25 -0.17 0.00 0.00 -2.01 -2.90 119.26 115.55 2ctk h ALA 69 Ca 0.65 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 2ctk h ALA 69 Cb 1.65 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2ctk h ALA 69 CO -0.65 -0.50 0.10 -0.91 0.00 0.00 0.00 179.25 177.29 2ctk h ASN 70 N -0.52 0.20 -1.01 0.00 2.35 0.29 -2.52 115.58 114.37 2ctk h ASN 70 Ca -0.03 -0.04 0.27 0.00 -0.55 0.00 0.00 56.30 55.96 2ctk h ASN 70 Cb 0.40 -0.05 -0.13 0.00 0.05 0.00 0.00 38.32 38.58 2ctk h ASN 70 CO 0.04 0.18 0.60 -0.07 -1.65 0.00 0.00 177.43 176.53 2ctk h LEU 71 N 0.20 0.60 0.87 1.61 3.38 -0.62 -0.64 115.31 120.71 2ctk h LEU 71 Ca 0.06 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2ctk h LEU 71 Cb 0.01 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2ctk h LEU 71 CO -0.01 0.02 -0.49 0.44 0.09 0.00 0.00 178.44 178.49 2ctk h ASP 72 N 0.48 -1.21 0.08 -0.43 3.32 -1.24 0.34 116.42 117.77 2ctk h ASP 72 Ca 0.67 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.81 2ctk h ASP 72 Cb 1.41 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 41.26 2ctk h ASP 72 CO -0.51 -0.77 -0.34 0.03 -1.72 0.00 0.00 179.24 175.93 2ctk h ARG 73 N -1.25 -0.53 0.40 3.56 3.08 -1.21 0.68 114.38 119.11 2ctk h ARG 73 Ca -0.12 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2ctk h ARG 73 Cb 0.99 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2ctk h ARG 73 CO 0.15 -0.35 -0.41 0.00 -1.07 0.00 0.00 179.97 178.29 2ctk h ALA 74 N 0.09 -1.07 -0.91 0.04 0.00 -1.15 -1.56 119.26 114.69 2ctk h ALA 74 Ca 0.04 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.04 2ctk h ALA 74 Cb 0.59 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2ctk h ALA 74 CO -0.23 -1.10 0.38 -0.22 0.00 0.00 0.00 179.25 178.08 2ctk h LYS 75 N -0.80 0.32 -0.96 0.00 3.64 -0.21 0.41 116.57 118.96 2ctk h LYS 75 Ca -0.05 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2ctk h LYS 75 Cb 0.70 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2ctk h LYS 75 CO -0.06 0.21 0.64 0.00 -2.27 0.00 0.00 179.45 177.97 2ctk h ALA 76 N 1.76 1.22 -0.23 5.00 0.00 -0.35 -1.29 119.26 125.37 2ctk h ALA 76 Ca 0.59 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 2ctk h ALA 76 Cb 1.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ctk h ALA 76 CO -0.58 0.60 0.04 0.78 0.00 0.00 0.00 179.25 180.09 2ctk h GLY 77 N 1.29 0.41 0.94 0.00 0.00 0.78 -2.97 103.07 103.52 2ctk h GLY 77 Ca 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2ctk h GLY 77 CO -0.08 0.25 -0.27 -2.00 0.00 0.00 0.00 176.54 174.44 2ctk h LEU 78 N 0.19 -0.63 -0.92 3.11 5.85 -1.10 -1.40 115.31 120.41 2ctk h LEU 78 Ca 0.07 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.95 2ctk h LEU 78 Cb 0.31 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.33 2ctk h LEU 78 CO 0.00 -0.40 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.34 2ctk h LEU 79 N -0.81 -1.06 -0.60 2.25 3.38 -1.28 0.57 115.31 117.75 2ctk h LEU 79 Ca -0.08 0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2ctk h LEU 79 Cb 0.60 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 2ctk h LEU 79 CO 0.13 -0.30 0.17 -0.33 0.09 0.00 0.00 178.44 178.19 2ctk h GLU 80 N -0.01 0.95 -0.78 1.13 5.08 -1.41 -1.34 114.58 118.20 2ctk h GLU 80 Ca 0.40 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2ctk h GLU 80 Cb 0.65 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2ctk h GLU 80 CO -0.95 0.86 0.51 -0.09 -1.00 0.00 0.00 179.01 178.34 2ctk h ARG 81 N 0.87 1.02 -0.19 2.33 9.65 0.11 0.11 114.38 128.28 2ctk h ARG 81 Ca 0.19 -0.06 -0.21 0.00 -1.10 0.00 0.00 59.98 58.80 2ctk h ARG 81 Cb 0.32 -0.23 0.01 0.00 -1.39 0.00 0.00 29.97 28.67 2ctk h ARG 81 CO -0.00 0.68 -0.71 0.28 2.80 0.00 0.00 179.97 183.02 2ctk h VAL 82 N 1.05 1.28 -0.28 0.20 2.07 -0.17 0.20 116.25 120.60 2ctk h VAL 82 Ca 0.28 -1.91 -0.12 0.00 0.82 0.00 0.00 66.70 65.78 2ctk h VAL 82 Cb -0.12 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2ctk h VAL 82 CO -0.06 0.61 -0.32 0.11 0.02 0.00 0.00 177.57 177.93 2ctk h LYS 83 N 0.57 0.60 0.22 1.57 1.57 -0.78 -1.79 116.57 118.54 2ctk h LYS 83 Ca -0.03 -0.27 -0.31 0.00 -1.87 0.00 0.00 60.65 58.17 2ctk h LYS 83 Cb 1.33 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 33.66 2ctk h LYS 83 CO 0.15 0.84 -1.39 0.93 -0.57 0.00 0.00 179.45 179.41 2ctk h GLU 84 N 0.51 0.48 0.72 3.15 4.39 -0.80 -3.17 114.58 119.86 2ctk h GLU 84 Ca 0.06 -0.81 -0.04 0.00 0.34 0.00 0.00 59.36 58.91 2ctk h GLU 84 Cb 0.80 0.30 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2ctk h GLU 84 CO 0.07 1.39 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.89 2ctk h LEU 85 N 0.03 -0.81 -0.76 1.33 3.38 -0.60 -2.88 115.31 115.01 2ctk h LEU 85 Ca -0.25 0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.89 2ctk h LEU 85 Cb 2.06 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 42.92 2ctk h LEU 85 CO 0.24 -0.58 0.29 0.06 0.09 0.00 0.00 178.44 178.54 2ctk h GLN 86 N -0.97 0.41 -0.79 1.13 3.07 -1.48 0.23 115.11 116.71 2ctk h GLN 86 Ca -0.10 -0.02 0.20 0.00 0.09 0.00 0.00 58.65 58.82 2ctk h GLN 86 Cb 0.74 -0.09 -0.04 0.00 0.08 0.00 0.00 27.48 28.16 2ctk h GLN 86 CO 0.16 0.27 0.55 0.00 0.09 0.00 0.00 178.83 179.90 2ctk h ALA 87 N 1.56 2.47 -0.83 0.06 0.00 -1.48 0.51 119.26 121.55 2ctk h ALA 87 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2ctk h ALA 87 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ctk h ALA 87 CO -0.42 -0.70 0.00 0.39 0.00 0.00 0.00 179.25 178.52 2ctk n GLU 88 N -4.40 0.00 -0.55 0.00 -0.58 0.70 -2.41 120.64 113.40 2ctk n GLU 88 Ca 0.16 0.24 0.44 0.00 -0.42 0.00 0.00 57.16 57.59 2ctk n GLU 88 Cb 0.74 -0.70 0.71 0.00 -0.57 0.00 0.00 31.44 31.63 2ctk n GLU 88 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ctk n GLN 89 N -1.80 -0.02 -0.03 3.49 10.64 -0.43 0.94 117.38 130.18 2ctk n GLN 89 Ca 0.00 1.14 -0.16 0.00 -1.83 0.00 0.00 57.00 56.15 2ctk n GLN 89 Cb 0.00 -2.40 -0.13 0.00 -0.86 0.00 0.00 30.24 26.85 2ctk n GLN 89 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2ctk h GLU 90 N 0.00 0.11 -0.92 2.61 4.81 -1.06 -3.03 114.58 117.10 2ctk h GLU 90 Ca 0.88 -0.18 0.27 0.00 -0.13 0.00 0.00 59.36 60.19 2ctk h GLU 90 Cb 3.12 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 32.41 2ctk h GLU 90 CO -0.27 1.05 0.25 0.22 -0.73 0.00 0.00 179.01 179.54 2ctk h ASP 91 N -0.73 -0.02 -0.19 1.04 1.82 0.93 0.48 116.42 119.75 2ctk h ASP 91 Ca -0.05 0.22 -0.19 0.00 -0.39 0.00 0.00 57.03 56.62 2ctk h ASP 91 Cb 1.18 0.30 0.00 0.00 0.68 0.00 0.00 39.33 41.49 2ctk h ASP 91 CO 0.05 -0.22 -0.62 0.08 -1.61 0.00 0.00 179.24 176.92 2ctk h ARG 92 N 0.16 0.80 -0.39 0.28 0.11 -1.54 -1.52 114.38 112.29 2ctk h ARG 92 Ca 0.61 -0.55 0.02 0.00 0.10 0.00 0.00 59.98 60.16 2ctk h ARG 92 Cb 1.29 0.08 -0.03 0.00 1.11 0.00 0.00 29.97 32.43 2ctk h ARG 92 CO -0.71 1.17 0.21 0.00 0.10 0.00 0.00 179.97 180.74 2ctk h ALA 93 N 0.70 0.48 -0.14 0.08 0.00 -0.03 -2.97 119.26 117.39 2ctk h ALA 93 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2ctk h ALA 93 Cb 1.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ctk h ALA 93 CO 0.13 -0.14 -0.20 -0.07 0.00 0.00 0.00 179.25 178.97 2ctk h LEU 94 N 0.43 0.42 -1.15 0.00 3.38 -0.95 -3.48 115.31 113.96 2ctk h LEU 94 Ca 0.16 -0.53 -0.29 0.00 0.09 0.00 0.00 57.88 57.32 2ctk h LEU 94 Cb 0.03 -0.12 0.11 0.00 0.09 0.00 0.00 40.66 40.78 2ctk h LEU 94 CO -0.09 0.86 -0.54 -1.14 0.09 0.00 0.00 178.44 177.62 2ctk n ARG 95 N -4.50 -5.74 -0.90 1.13 0.63 -0.57 -4.89 116.66 101.82 2ctk n ARG 95 Ca -0.07 0.63 -0.15 0.00 -0.92 0.00 0.00 57.85 57.35 2ctk n ARG 95 Cb 0.41 -5.06 0.00 0.00 0.45 0.00 0.00 32.46 28.26 2ctk n ARG 95 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2ctk n SER 96 N -2.14 6.18 -4.73 6.15 2.88 -1.26 -4.91 113.62 115.79 2ctk n SER 96 Ca -0.06 -2.92 -0.38 0.00 -1.33 0.00 0.00 58.87 54.18 2ctk n SER 96 Cb 0.57 -1.12 -0.06 0.00 -0.75 0.00 0.00 64.21 62.85 2ctk n SER 96 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2ctk s PHE 97 N -1.28 3.55 0.09 0.66 5.36 -1.26 -5.08 117.98 120.03 2ctk s PHE 97 Ca 0.31 0.93 0.08 0.00 -0.96 0.00 0.00 56.93 57.29 2ctk s PHE 97 Cb 0.22 -2.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 2ctk s PHE 97 CO -0.03 0.22 -0.20 0.21 -1.46 0.00 0.00 175.22 173.96 2ctk s LYS 98 N 0.42 1.11 0.17 10.12 2.20 -1.26 -5.04 119.74 127.45 2ctk s LYS 98 Ca 0.27 -1.11 -0.20 0.00 -0.36 0.00 0.00 55.97 54.56 2ctk s LYS 98 Cb -0.16 -1.33 0.08 0.00 -1.51 0.00 0.00 37.83 34.92 2ctk s LYS 98 CO 0.11 0.31 1.31 0.45 -0.36 0.00 0.00 175.35 177.17 2ctk n SER 99 N 1.18 -0.72 0.00 1.43 2.88 -1.26 -4.83 113.62 112.31 2ctk n SER 99 Ca -0.20 1.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 2ctk n SER 99 Cb 0.54 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2ctk n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctk n GLY 100 N -1.31 1.15 0.19 0.46 0.00 -1.26 -5.04 105.19 99.38 2ctk n GLY 100 Ca 0.05 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2ctk n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctk h PRO 101 N 0.00 0.61 -4.30 1.61 0.13 -2.06 -3.45 132.00 124.53 2ctk h PRO 101 Ca 0.00 -0.32 -0.28 0.00 -0.87 0.00 0.00 66.00 64.53 2ctk h PRO 101 Cb 0.00 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 30.89 2ctk h PRO 101 CO 0.00 0.92 -0.74 -1.54 -0.23 0.00 0.00 178.00 176.41 2ctk s SER 102 N -6.43 0.60 -0.64 1.44 1.04 -1.26 -5.11 113.70 103.34 2ctk s SER 102 Ca -0.13 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 2ctk s SER 102 Cb 0.08 -0.01 0.17 0.00 0.10 0.00 0.00 66.02 66.35 2ctk s SER 102 CO 0.81 -0.06 0.47 -0.94 0.98 0.00 0.00 173.24 174.50 2ctk s SER 103 N -0.70 5.43 0.00 7.02 1.04 -1.26 -5.19 113.70 120.03 2ctk s SER 103 Ca -0.04 -2.80 0.00 0.00 0.48 0.00 0.00 55.95 53.60 2ctk s SER 103 Cb -0.05 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2ctk s SER 103 CO -0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43