#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 5.38 -0.02 1.61 0.15 -1.26 -5.10 113.70 114.46 2ctk s SER 2 Ca 0.00 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2ctk s SER 2 Cb 0.00 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2ctk s SER 2 CO 0.00 0.21 0.03 -0.44 1.20 0.00 0.00 173.24 174.23 2ctk s SER 3 N 0.16 5.31 0.00 5.45 0.01 -1.26 -4.95 113.70 118.42 2ctk s SER 3 Ca 0.03 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2ctk s SER 3 Cb -0.13 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2ctk s SER 3 CO 0.01 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2ctk n GLY 4 N 1.47 -1.48 3.77 3.44 0.00 -1.26 -5.10 105.19 106.03 2ctk n GLY 4 Ca -0.15 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 2ctk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctk s SER 5 N 0.00 4.84 0.81 1.61 1.04 -1.26 -5.14 113.70 115.60 2ctk s SER 5 Ca 0.00 -0.73 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 2ctk s SER 5 Cb 0.00 -0.75 0.14 0.00 0.10 0.00 0.00 66.02 65.51 2ctk s SER 5 CO 0.00 -0.36 1.13 -0.55 0.98 0.00 0.00 173.24 174.43 2ctk s SER 6 N -3.91 3.97 0.00 7.02 0.15 -1.26 -5.11 113.70 114.56 2ctk s SER 6 Ca 0.40 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2ctk s SER 6 Cb -0.03 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 2ctk s SER 6 CO 0.24 -2.15 0.00 0.61 1.20 0.00 0.00 173.24 173.14 2ctk n GLY 7 N -3.22 -0.02 3.31 9.45 0.00 -1.26 -5.18 105.19 108.27 2ctk n GLY 7 Ca 0.14 0.75 -0.09 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 1.05 -0.29 1.61 0.00 -1.26 -5.17 119.74 115.69 2ctk s LYS 8 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 55.97 54.85 2ctk s LYS 8 Cb 0.00 0.40 0.13 0.00 0.00 0.00 0.00 37.83 38.36 2ctk s LYS 8 CO 0.00 -0.39 0.89 -1.83 0.00 0.00 0.00 175.35 174.02 2ctk s GLU 9 N -3.88 0.46 -0.06 1.78 -1.05 -1.26 -5.02 118.70 109.67 2ctk s GLU 9 Ca 0.09 0.85 0.03 0.00 -0.15 0.00 0.00 54.97 55.78 2ctk s GLU 9 Cb 0.03 0.17 0.18 0.00 -0.44 0.00 0.00 34.13 34.07 2ctk s GLU 9 CO -0.07 -0.11 0.83 0.00 0.95 0.00 0.00 175.26 176.87 2ctk n ALA 10 N 4.07 2.86 -3.54 -0.84 0.00 -1.26 -4.77 120.51 117.04 2ctk n ALA 10 Ca -0.18 -0.45 -0.31 0.00 0.00 0.00 0.00 53.44 52.51 2ctk n ALA 10 Cb 0.57 -1.04 -0.17 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.62 1.99 -0.22 0.00 2.96 -1.26 -5.11 118.68 116.42 2ctk s LEU 11 Ca 0.12 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2ctk s LEU 11 Cb 0.09 -1.32 0.04 0.00 0.50 0.00 0.00 46.19 45.50 2ctk s LEU 11 CO 0.03 0.08 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.29 2ctk s GLU 12 N 0.72 2.67 0.05 1.98 2.12 -1.26 -5.11 118.70 119.88 2ctk s GLU 12 Ca -0.10 -1.05 -0.01 0.00 0.36 0.00 0.00 54.97 54.17 2ctk s GLU 12 Cb -0.16 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 2ctk s GLU 12 CO 0.01 -0.37 -0.03 0.00 -0.54 0.00 0.00 175.26 174.33 2ctk s ALA 13 N 1.21 0.54 -0.12 6.30 0.00 -1.26 -5.07 121.76 123.37 2ctk s ALA 13 Ca -0.01 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 2ctk s ALA 13 Cb -0.16 0.25 -0.25 0.00 0.00 0.00 0.00 23.12 22.97 2ctk s ALA 13 CO -0.09 -0.35 0.36 1.47 0.00 0.00 0.00 175.76 177.15 2ctk n LEU 14 N 0.15 2.27 -4.74 0.00 -0.00 -1.26 -4.91 117.00 108.51 2ctk n LEU 14 Ca -0.14 0.21 -0.41 0.00 -0.00 0.00 0.00 56.01 55.67 2ctk n LEU 14 Cb 0.61 -0.81 -0.03 0.00 -0.00 0.00 0.00 43.42 43.18 2ctk n LEU 14 CO 0.28 0.77 0.89 0.54 -0.00 0.00 0.00 177.39 179.86 2ctk s VAL 15 N -2.56 3.42 1.12 1.47 0.11 -1.26 -4.94 120.40 117.76 2ctk s VAL 15 Ca -0.20 1.25 -0.19 0.00 -2.93 0.00 0.00 61.98 59.91 2ctk s VAL 15 Cb 0.07 -3.80 0.28 0.00 -1.53 0.00 0.00 36.38 31.40 2ctk s VAL 15 CO 0.77 0.23 1.00 -0.81 -3.33 0.00 0.00 175.10 172.95 2ctk n PRO 16 N 2.10 -2.96 -3.93 1.54 -0.04 -1.26 -4.86 135.00 125.58 2ctk n PRO 16 Ca 0.03 -1.59 -0.10 0.00 -0.04 0.00 0.00 63.50 61.80 2ctk n PRO 16 Cb 0.44 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.81 0.10 -0.04 0.52 -7.23 0.70 -4.79 120.40 106.85 2ctk s VAL 17 Ca 0.65 -0.82 -0.19 0.00 -1.81 0.00 0.00 61.98 59.81 2ctk s VAL 17 Cb -0.06 -0.35 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 2ctk s VAL 17 CO 0.50 -0.45 0.52 -0.89 -0.31 0.00 0.00 175.10 174.47 2ctk s THR 18 N -1.45 5.02 0.27 5.32 2.01 -1.26 -1.76 115.64 123.79 2ctk s THR 18 Ca -0.15 1.08 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2ctk s THR 18 Cb -0.09 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2ctk s THR 18 CO 0.00 0.42 0.01 2.30 -0.69 0.00 0.00 174.62 176.66 2ctk n ILE 19 N 2.89 0.00 -4.38 1.82 -5.35 0.82 -4.92 119.36 110.23 2ctk n ILE 19 Ca -0.08 -1.25 -0.21 0.00 -0.27 0.00 0.00 62.75 60.94 2ctk n ILE 19 Cb 0.51 0.23 -0.16 0.00 -1.74 0.00 0.00 39.64 38.48 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 -2.97 1.07 -0.03 6.28 2.02 -1.26 -2.68 118.70 121.14 2ctk s GLU 20 Ca 0.01 -0.29 0.05 0.00 0.02 0.00 0.00 54.97 54.76 2ctk s GLU 20 Cb -0.00 -0.98 -0.01 0.00 0.10 0.00 0.00 34.13 33.24 2ctk s GLU 20 CO 0.00 0.06 -0.18 0.08 0.02 0.00 0.00 175.26 175.25 2ctk s VAL 21 N 0.41 1.45 -0.42 2.63 1.01 0.41 -4.95 120.40 120.94 2ctk s VAL 21 Ca -0.07 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 2ctk s VAL 21 Cb -0.11 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2ctk s VAL 21 CO 0.01 0.41 1.05 -1.61 0.00 0.00 0.00 175.10 174.96 2ctk s GLU 22 N -0.25 3.79 -0.17 2.72 2.02 -1.26 -1.04 118.70 124.51 2ctk s GLU 22 Ca 0.03 0.60 -0.10 0.00 0.02 0.00 0.00 54.97 55.52 2ctk s GLU 22 Cb -0.09 -3.86 0.06 0.00 0.10 0.00 0.00 34.13 30.34 2ctk s GLU 22 CO 0.00 -1.17 0.41 0.08 0.02 0.00 0.00 175.26 174.60 2ctk s VAL 23 N 3.99 -0.02 0.16 2.63 1.01 0.77 -4.96 120.40 123.97 2ctk s VAL 23 Ca 0.44 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 2ctk s VAL 23 Cb -0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 2ctk s VAL 23 CO 0.25 0.03 1.33 -2.16 0.00 0.00 0.00 175.10 174.56 2ctk s PRO 24 N 1.24 4.36 0.23 2.72 0.04 -1.26 -4.06 135.00 138.27 2ctk s PRO 24 Ca -0.08 2.04 0.14 0.00 0.04 0.00 0.00 61.00 63.14 2ctk s PRO 24 Cb -0.08 -3.23 0.74 0.00 0.04 0.00 0.00 34.50 31.98 2ctk s PRO 24 CO -0.11 -0.33 1.38 0.34 0.04 0.00 0.00 177.00 178.32 2ctk n PHE 25 N 3.24 0.46 0.66 0.56 -0.00 -1.26 -0.26 117.46 120.86 2ctk n PHE 25 Ca 0.08 0.24 0.12 0.00 -0.00 0.00 0.00 57.45 57.89 2ctk n PHE 25 Cb 0.43 -0.83 0.46 0.00 -0.00 0.00 0.00 39.48 39.54 2ctk n PHE 25 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2ctk n ASP 26 N -1.98 0.35 -0.05 -2.13 9.92 -1.26 -3.05 116.55 118.35 2ctk n ASP 26 Ca -0.01 0.55 -0.00 0.00 -0.53 0.00 0.00 54.79 54.80 2ctk n ASP 26 Cb 0.10 -0.64 -0.14 0.00 -0.64 0.00 0.00 41.12 39.80 2ctk n ASP 26 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2ctk n LEU 27 N -1.85 0.00 -0.31 0.64 4.77 0.64 -4.61 117.00 116.28 2ctk n LEU 27 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2ctk n LEU 27 Cb 0.30 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2ctk n LEU 27 CO 0.23 0.22 0.49 0.45 -1.33 0.00 0.00 177.39 177.45 2ctk h HIS 28 N 0.00 -1.68 -1.25 -1.77 3.86 -1.51 1.10 115.15 113.90 2ctk h HIS 28 Ca -0.25 0.11 0.36 0.00 -1.16 0.00 0.00 60.37 59.43 2ctk h HIS 28 Cb 1.48 0.83 -0.07 0.00 1.06 0.00 0.00 27.41 30.71 2ctk h HIS 28 CO 0.00 -0.37 0.88 0.07 0.86 0.00 0.00 177.93 179.37 2ctk h ARG 29 N -0.10 0.08 0.00 2.45 0.11 -1.82 1.18 114.38 116.29 2ctk h ARG 29 Ca 0.12 -0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.07 2ctk h ARG 29 Cb 0.42 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 2ctk h ARG 29 CO -0.77 0.05 -1.03 1.88 0.10 0.00 0.00 179.97 180.20 2ctk h TYR 30 N 0.08 0.00 0.02 4.08 0.05 0.67 -3.13 116.97 118.74 2ctk h TYR 30 Ca 0.63 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.41 2ctk h TYR 30 Cb 2.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.04 2ctk h TYR 30 CO -0.00 0.51 -0.01 0.28 -1.05 0.00 0.00 178.16 177.89 2ctk h VAL 31 N 0.00 1.36 -0.27 -2.88 2.07 0.62 -3.35 116.25 113.81 2ctk h VAL 31 Ca -0.09 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 65.56 2ctk h VAL 31 Cb 1.47 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.73 2ctk h VAL 31 CO 0.05 0.44 0.17 0.40 0.02 0.00 0.00 177.57 178.65 2ctk h ILE 32 N -0.93 1.05 0.00 4.57 2.04 -0.77 -2.90 117.51 120.58 2ctk h ILE 32 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2ctk h ILE 32 Cb 0.74 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2ctk h ILE 32 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.83 2ctk n GLY 33 N -1.17 -1.80 0.14 5.37 0.00 -1.18 -2.70 105.19 103.84 2ctk n GLY 33 Ca -0.02 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.76 2ctk n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ctk n GLN 34 N 0.00 0.74 -2.38 1.61 -0.06 -1.26 -4.43 117.38 111.60 2ctk n GLN 34 Ca 0.00 0.30 -0.28 0.00 -2.00 0.00 0.00 57.00 55.03 2ctk n GLN 34 Cb 0.00 -1.72 0.01 0.00 -4.06 0.00 0.00 30.24 24.47 2ctk n GLN 34 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 2ctk n LYS 35 N -3.61 3.40 -3.51 3.69 2.85 -1.26 -4.92 118.16 114.80 2ctk n LYS 35 Ca -0.32 -4.40 -0.24 0.00 -1.05 0.00 0.00 58.31 52.30 2ctk n LYS 35 Cb 1.00 -2.26 -0.05 0.00 -0.65 0.00 0.00 35.03 33.08 2ctk n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctk n GLY 36 N -0.52 -0.39 0.13 2.58 0.00 -1.25 -4.75 105.19 100.99 2ctk n GLY 36 Ca 0.41 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.82 1.96 0.00 1.61 3.41 -1.20 -3.97 113.62 113.61 2ctk n SER 37 Ca 0.07 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2ctk n SER 37 Cb 0.42 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2ctk n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctk n GLY 38 N 1.57 -2.56 0.36 5.00 0.00 -1.10 -0.02 105.19 108.45 2ctk n GLY 38 Ca -0.44 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2ctk n GLY 38 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ctk h ILE 39 N 0.00 1.04 -0.72 -0.61 2.04 -1.59 -2.13 117.51 115.53 2ctk h ILE 39 Ca 0.00 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.68 2ctk h ILE 39 Cb 0.00 -0.02 -0.11 0.00 -0.74 0.00 0.00 36.82 35.95 2ctk h ILE 39 CO 0.00 0.18 0.13 -0.09 0.00 0.00 0.00 178.15 178.37 2ctk h ARG 40 N 0.97 0.22 -0.87 2.37 1.12 -0.57 0.10 114.38 117.73 2ctk h ARG 40 Ca 0.39 -0.01 0.21 0.00 -1.11 0.00 0.00 59.98 59.45 2ctk h ARG 40 Cb 0.26 -0.05 -0.12 0.00 -0.01 0.00 0.00 29.97 30.05 2ctk h ARG 40 CO -0.15 0.15 0.36 -0.22 -3.11 0.00 0.00 179.97 176.99 2ctk h LYS 41 N 0.23 0.38 -0.15 0.20 3.64 -0.33 0.65 116.57 121.19 2ctk h LYS 41 Ca 0.40 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 2ctk h LYS 41 Cb 0.69 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2ctk h LYS 41 CO -0.53 0.25 -0.36 0.52 -2.27 0.00 0.00 179.45 177.06 2ctk h MET 42 N 0.39 0.51 -0.05 1.90 2.86 -0.95 0.35 114.93 119.94 2ctk h MET 42 Ca 0.53 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2ctk h MET 42 Cb 0.98 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 2ctk h MET 42 CO -0.52 0.96 0.07 0.52 1.06 0.00 0.00 176.91 179.00 2ctk h MET 43 N 0.14 0.00 0.03 1.72 2.86 0.04 0.61 114.93 120.33 2ctk h MET 43 Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 2ctk h MET 43 Cb 0.97 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.58 2ctk h MET 43 CO 0.08 0.00 -2.11 -0.25 1.06 0.00 0.00 176.91 175.69 2ctk n ASP 44 N -3.64 1.12 -0.02 1.22 9.92 0.04 -2.28 116.55 122.92 2ctk n ASP 44 Ca -0.02 0.15 -0.04 0.00 -0.53 0.00 0.00 54.79 54.35 2ctk n ASP 44 Cb 0.15 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.59 2ctk n ASP 44 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ctk h GLU 45 N 0.02 -0.08 0.00 -1.24 4.57 -0.07 -3.31 114.58 114.47 2ctk h GLU 45 Ca -0.45 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2ctk h GLU 45 Cb 2.06 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.67 2ctk h GLU 45 CO 0.04 0.15 0.00 1.19 -1.18 0.00 0.00 179.01 179.21 2ctk n PHE 46 N -4.80 0.00 -3.73 0.92 3.72 0.21 -4.91 117.46 108.86 2ctk n PHE 46 Ca -0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 2ctk n PHE 46 Cb 0.13 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.12 -3.58 -4.27 -1.08 1.02 -1.18 -4.79 120.64 105.65 2ctk n GLU 47 Ca 0.18 0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 57.69 2ctk n GLU 47 Cb 0.15 -4.83 -0.09 0.00 -0.02 0.00 0.00 31.44 26.65 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 -3.69 0.04 -0.12 2.62 -7.23 -0.97 -4.83 120.40 106.23 2ctk s VAL 48 Ca 0.13 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2ctk s VAL 48 Cb -0.04 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2ctk s VAL 48 CO 0.84 0.00 -0.20 0.20 -0.31 0.00 0.00 175.10 175.63 2ctk s ASN 49 N -3.32 2.85 -0.11 4.85 -0.87 -0.46 -4.15 114.94 113.73 2ctk s ASN 49 Ca 0.39 -0.53 -0.03 0.00 -1.57 0.00 0.00 52.86 51.12 2ctk s ASN 49 Cb 0.04 -1.30 -0.03 0.00 -0.02 0.00 0.00 41.25 39.93 2ctk s ASN 49 CO 0.22 0.07 -0.00 -0.63 -2.57 0.00 0.00 177.10 174.19 2ctk s ILE 50 N 0.80 4.27 -0.15 0.60 1.01 -1.26 -0.12 121.20 126.34 2ctk s ILE 50 Ca -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2ctk s ILE 50 Cb -0.16 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.50 2ctk s ILE 50 CO -0.00 0.56 -0.19 -1.00 0.00 0.00 0.00 174.94 174.31 2ctk s HIS 51 N -0.44 2.49 -0.17 3.97 3.76 0.33 -5.01 115.29 120.23 2ctk s HIS 51 Ca 0.08 -1.36 -0.06 0.00 -0.15 0.00 0.00 55.06 53.58 2ctk s HIS 51 Cb -0.12 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 2ctk s HIS 51 CO 0.02 -0.67 0.02 0.08 -0.85 0.00 0.00 174.74 173.34 2ctk s VAL 52 N 1.14 4.42 0.56 -0.90 1.01 -1.26 -2.42 120.40 122.94 2ctk s VAL 52 Ca -0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 2ctk s VAL 52 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2ctk s VAL 52 CO -0.07 0.48 1.13 -2.16 0.00 0.00 0.00 175.10 174.47 2ctk s PRO 53 N 0.31 3.29 0.97 2.72 0.04 -1.26 -5.02 135.00 136.05 2ctk s PRO 53 Ca 0.00 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 2ctk s PRO 53 Cb -0.13 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.58 2ctk s PRO 53 CO 0.01 -0.90 1.08 0.00 0.04 0.00 0.00 177.00 177.24 2ctk s ALA 54 N -1.84 1.02 0.32 8.56 0.00 -1.26 -4.90 121.76 123.66 2ctk s ALA 54 Ca 0.72 -0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.77 2ctk s ALA 54 Cb -0.23 -3.23 0.54 0.00 0.00 0.00 0.00 23.12 20.19 2ctk s ALA 54 CO 0.29 -2.79 1.72 -1.00 0.00 0.00 0.00 175.76 173.97 2ctk h PRO 55 N -1.87 0.02 0.00 0.00 0.13 -1.98 -2.77 132.00 125.53 2ctk h PRO 55 Ca -0.52 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2ctk h PRO 55 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ctk h PRO 55 CO 0.52 0.50 -0.01 1.05 -0.23 0.00 0.00 178.00 179.83 2ctk h GLU 56 N 0.02 0.00 0.00 0.86 4.11 -2.02 -1.28 114.58 116.26 2ctk h GLU 56 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ctk h GLU 56 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2ctk h GLU 56 CO 0.06 0.01 -0.86 1.28 0.07 0.00 0.00 179.01 179.57 2ctk n LEU 57 N -3.13 0.65 -4.30 3.06 4.77 -1.05 -4.96 117.00 112.04 2ctk n LEU 57 Ca -0.01 0.10 -0.35 0.00 -0.03 0.00 0.00 56.01 55.71 2ctk n LEU 57 Cb 0.19 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2ctk n LEU 57 CO 0.24 -0.01 -0.30 0.00 -1.33 0.00 0.00 177.39 176.00 2ctk n GLN 58 N -2.05 -0.83 -3.45 3.23 1.13 -0.49 -4.88 117.38 110.04 2ctk n GLN 58 Ca 0.02 0.11 -0.36 0.00 -1.94 0.00 0.00 57.00 54.83 2ctk n GLN 58 Cb 0.44 -3.94 -0.06 0.00 0.11 0.00 0.00 30.24 26.79 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 -3.69 6.79 -0.12 1.08 0.15 -1.26 -4.98 113.70 111.66 2ctk s SER 59 Ca 0.41 0.98 0.15 0.00 0.70 0.00 0.00 55.95 58.19 2ctk s SER 59 Cb -0.24 -2.25 0.45 0.00 -1.71 0.00 0.00 66.02 62.27 2ctk s SER 59 CO 0.96 0.20 1.36 0.47 1.20 0.00 0.00 173.24 177.43 2ctk n ASP 60 N 1.18 3.56 -4.05 5.45 9.92 -1.26 -4.36 116.55 126.99 2ctk n ASP 60 Ca -0.09 -2.67 -0.32 0.00 -0.53 0.00 0.00 54.79 51.18 2ctk n ASP 60 Cb 0.52 -0.44 -0.15 0.00 -0.64 0.00 0.00 41.12 40.41 2ctk n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ctk s ILE 61 N -2.20 2.19 0.35 0.53 -1.09 -1.26 -0.17 121.20 119.55 2ctk s ILE 61 Ca 0.36 -1.84 -0.19 0.00 -2.23 0.00 0.00 60.65 56.75 2ctk s ILE 61 Cb 0.27 -2.39 -0.10 0.00 -1.58 0.00 0.00 42.46 38.66 2ctk s ILE 61 CO 0.11 -0.20 0.83 -0.63 -1.23 0.00 0.00 174.94 173.83 2ctk s ILE 62 N 1.05 4.51 -0.19 2.92 1.01 -0.20 -4.80 121.20 125.50 2ctk s ILE 62 Ca -0.03 1.29 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 2ctk s ILE 62 Cb -0.20 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2ctk s ILE 62 CO -0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 174.94 174.69 2ctk s ALA 63 N -1.95 2.84 -0.13 9.38 0.00 -1.02 -0.44 121.76 130.44 2ctk s ALA 63 Ca 0.55 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2ctk s ALA 63 Cb -0.12 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2ctk s ALA 63 CO 0.17 -0.12 -0.16 0.42 0.00 0.00 0.00 175.76 176.07 2ctk s ILE 64 N 0.96 2.75 -0.09 0.00 1.01 -1.09 -0.51 121.20 124.23 2ctk s ILE 64 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 2ctk s ILE 64 Cb -0.15 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2ctk s ILE 64 CO 0.01 0.53 0.01 -0.89 0.00 0.00 0.00 174.94 174.60 2ctk s THR 65 N 0.46 4.39 0.00 2.92 2.01 0.83 -0.13 115.64 126.11 2ctk s THR 65 Ca -0.11 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2ctk s THR 65 Cb -0.16 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2ctk s THR 65 CO 0.05 0.60 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 2ctk n GLY 66 N 2.19 0.10 3.74 4.40 0.00 -0.72 -1.36 105.19 113.54 2ctk n GLY 66 Ca -0.19 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 4.41 0.33 0.99 1.43 -1.26 -0.21 118.68 124.36 2ctk s LEU 67 Ca 0.00 2.53 0.21 0.00 -1.03 0.00 0.00 54.13 55.84 2ctk s LEU 67 Cb 0.00 -3.62 1.17 0.00 0.03 0.00 0.00 46.19 43.77 2ctk s LEU 67 CO 0.00 -0.58 1.31 0.00 0.23 0.00 0.00 176.35 177.31 2ctk n ALA 68 N 2.29 0.96 -0.15 4.21 0.00 -1.26 0.22 120.51 126.78 2ctk n ALA 68 Ca 0.05 0.81 -0.10 0.00 0.00 0.00 0.00 53.44 54.21 2ctk n ALA 68 Cb 0.42 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 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 1.55 0.58 -0.12 0.00 0.00 -2.01 -2.53 119.26 116.73 2ctk h ALA 69 Ca 0.72 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 55.19 2ctk h ALA 69 Cb 2.06 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.69 2ctk h ALA 69 CO -0.55 0.31 -0.73 -0.91 0.00 0.00 0.00 179.25 177.36 2ctk h ASN 70 N 0.58 0.85 -0.57 0.00 2.35 0.24 -3.15 115.58 115.88 2ctk h ASN 70 Ca 0.13 -0.65 0.12 0.00 -0.55 0.00 0.00 56.30 55.35 2ctk h ASN 70 Cb 0.40 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2ctk h ASN 70 CO 0.01 1.36 0.39 -0.07 -1.65 0.00 0.00 177.43 177.47 2ctk h LEU 71 N 0.39 0.24 0.47 1.61 3.38 -0.54 0.33 115.31 121.19 2ctk h LEU 71 Ca -0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2ctk h LEU 71 Cb 1.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2ctk h LEU 71 CO 0.15 0.14 -0.23 0.44 0.09 0.00 0.00 178.44 179.03 2ctk h ASP 72 N 0.26 -0.54 -0.53 -0.43 3.32 -1.41 0.24 116.42 117.33 2ctk h ASP 72 Ca 0.27 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.36 2ctk h ASP 72 Cb 0.70 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2ctk h ASP 72 CO -0.06 -0.20 0.35 0.08 -1.72 0.00 0.00 179.24 177.69 2ctk h ARG 73 N -1.00 0.64 0.00 3.56 0.11 -1.46 0.98 114.38 117.22 2ctk h ARG 73 Ca -0.06 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.98 2ctk h ARG 73 Cb 0.49 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2ctk h ARG 73 CO 0.11 0.42 -0.00 0.00 0.10 0.00 0.00 179.97 180.60 2ctk h ALA 74 N 1.68 -0.00 -0.68 0.08 0.00 -0.38 -2.84 119.26 117.12 2ctk h ALA 74 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ctk h ALA 74 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2ctk h ALA 74 CO -0.05 -0.21 0.39 -0.22 0.00 0.00 0.00 179.25 179.17 2ctk h LYS 75 N -0.60 0.93 0.00 0.00 3.64 -0.22 -1.80 116.57 118.53 2ctk h LYS 75 Ca -0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2ctk h LYS 75 Cb 0.59 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2ctk h LYS 75 CO 0.00 0.68 -0.02 0.00 -2.27 0.00 0.00 179.45 177.84 2ctk h ALA 76 N 1.20 1.83 0.02 5.00 0.00 -0.87 -2.34 119.26 124.10 2ctk h ALA 76 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2ctk h ALA 76 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ctk h ALA 76 CO -0.04 0.03 -0.01 0.78 0.00 0.00 0.00 179.25 180.01 2ctk h GLY 77 N 0.08 -0.02 0.67 0.00 0.00 -1.08 -3.14 103.07 99.59 2ctk h GLY 77 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2ctk h GLY 77 CO 0.00 -0.01 -0.16 -2.00 0.00 0.00 0.00 176.54 174.38 2ctk h LEU 78 N -0.70 -0.45 -0.55 3.11 5.85 -1.22 -0.94 115.31 120.41 2ctk h LEU 78 Ca -0.00 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.87 2ctk h LEU 78 Cb 0.67 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.77 2ctk h LEU 78 CO 0.00 -0.22 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.45 2ctk h LEU 79 N -0.29 -1.24 -1.54 2.25 3.38 -1.55 0.43 115.31 116.76 2ctk h LEU 79 Ca 0.04 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2ctk h LEU 79 Cb 0.33 0.59 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2ctk h LEU 79 CO -0.12 -0.32 0.19 -0.33 0.09 0.00 0.00 178.44 177.96 2ctk h GLU 80 N -0.20 0.50 -0.16 1.13 5.08 -1.44 -1.65 114.58 117.84 2ctk h GLU 80 Ca 0.21 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2ctk h GLU 80 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ctk h GLU 80 CO -0.66 0.38 -0.44 -0.09 -1.00 0.00 0.00 179.01 177.20 2ctk h ARG 81 N 0.51 0.38 0.22 2.33 9.65 0.10 -2.43 114.38 125.14 2ctk h ARG 81 Ca 0.13 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2ctk h ARG 81 Cb 0.03 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2ctk h ARG 81 CO -0.02 0.75 -0.10 0.28 2.80 0.00 0.00 179.97 183.68 2ctk h VAL 82 N 0.31 0.81 -0.60 0.20 2.07 0.54 -0.26 116.25 119.32 2ctk h VAL 82 Ca 0.02 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.75 2ctk h VAL 82 Cb 0.91 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 2ctk h VAL 82 CO 0.08 0.17 0.24 0.11 0.02 0.00 0.00 177.57 178.19 2ctk h LYS 83 N -0.78 0.43 0.12 1.57 1.57 -1.42 -0.86 116.57 117.20 2ctk h LYS 83 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2ctk h LYS 83 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ctk h LYS 83 CO 0.05 0.28 -0.06 1.49 -0.57 0.00 0.00 179.45 180.64 2ctk h GLU 84 N 0.44 -0.16 -0.18 3.15 4.57 -1.48 -1.78 114.58 119.13 2ctk h GLU 84 Ca 0.30 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.53 2ctk h GLU 84 Cb 0.33 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2ctk h GLU 84 CO -0.28 0.14 -0.44 -0.07 -1.18 0.00 0.00 179.01 177.18 2ctk h LEU 85 N -0.46 -1.39 -2.34 1.64 3.38 -0.66 0.35 115.31 115.83 2ctk h LEU 85 Ca -0.02 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2ctk h LEU 85 Cb 0.37 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2ctk h LEU 85 CO 0.03 -0.42 -0.00 0.06 0.09 0.00 0.00 178.44 178.19 2ctk h GLN 86 N -0.47 0.00 0.01 1.13 3.07 -1.21 -0.36 115.11 117.27 2ctk h GLN 86 Ca 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.63 2ctk h GLN 86 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.17 2ctk h GLN 86 CO -0.43 0.00 -0.88 0.00 0.09 0.00 0.00 178.83 177.61 2ctk h ALA 87 N 2.00 0.54 0.00 0.06 0.00 0.27 -2.82 119.26 119.30 2ctk h ALA 87 Ca -0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 2ctk h ALA 87 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ctk h ALA 87 CO 0.00 1.01 -0.02 0.93 0.00 0.00 0.00 179.25 181.16 2ctk h GLU 88 N 0.04 0.00 -0.79 0.00 4.39 0.94 -1.46 114.58 117.71 2ctk h GLU 88 Ca -0.03 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.88 2ctk h GLU 88 Cb 1.53 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.14 2ctk h GLU 88 CO 0.12 0.16 0.55 -0.56 -1.16 0.00 0.00 179.01 178.12 2ctk h GLN 89 N -1.00 0.16 0.08 2.33 3.07 -1.28 -0.65 115.11 117.83 2ctk h GLN 89 Ca -0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 58.65 58.59 2ctk h GLN 89 Cb 0.18 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 27.71 2ctk h GLN 89 CO -0.00 0.11 -0.62 1.49 0.09 0.00 0.00 178.83 179.89 2ctk h GLU 90 N 0.17 0.17 -0.32 0.06 4.81 -1.61 -3.18 114.58 114.68 2ctk h GLU 90 Ca 0.39 -0.29 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2ctk h GLU 90 Cb 1.27 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.70 2ctk h GLU 90 CO -0.07 1.14 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.81 2ctk h ASP 91 N -0.62 -0.36 0.01 1.04 3.32 -0.24 1.21 116.42 120.79 2ctk h ASP 91 Ca -0.12 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2ctk h ASP 91 Cb 1.41 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.18 2ctk h ASP 91 CO 0.07 -0.13 -0.02 0.08 -1.72 0.00 0.00 179.24 177.52 2ctk h ARG 92 N -0.03 0.02 0.00 3.56 -0.00 -1.30 -1.34 114.38 115.28 2ctk h ARG 92 Ca 0.16 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.09 2ctk h ARG 92 Cb 0.27 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.23 2ctk h ARG 92 CO -0.35 0.04 -0.95 0.00 -0.00 0.00 0.00 179.97 178.72 2ctk h ALA 93 N 1.97 0.61 -0.72 0.08 0.00 -0.96 -3.33 119.26 116.90 2ctk h ALA 93 Ca 0.00 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.90 2ctk h ALA 93 Cb 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2ctk h ALA 93 CO 0.00 0.26 0.59 1.25 0.00 0.00 0.00 179.25 181.35 2ctk h LEU 94 N 0.00 0.00 -1.62 0.00 7.12 0.26 -3.45 115.31 117.62 2ctk h LEU 94 Ca -0.04 0.00 -0.47 0.00 0.13 0.00 0.00 57.88 57.51 2ctk h LEU 94 Cb 1.16 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.27 2ctk h LEU 94 CO 0.01 0.00 -0.83 -1.14 -0.13 0.00 0.00 178.44 176.35 2ctk n ARG 95 N -4.06 -4.38 -3.27 1.25 0.63 -1.25 -4.94 116.66 100.65 2ctk n ARG 95 Ca 0.15 0.53 -0.39 0.00 -0.92 0.00 0.00 57.85 57.22 2ctk n ARG 95 Cb 0.85 -5.02 -0.06 0.00 0.45 0.00 0.00 32.46 28.68 2ctk n ARG 95 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2ctk s SER 96 N -4.08 6.95 1.19 6.15 0.15 -1.26 -5.07 113.70 117.73 2ctk s SER 96 Ca 0.19 1.13 -0.16 0.00 0.70 0.00 0.00 55.95 57.80 2ctk s SER 96 Cb -0.10 -2.34 0.28 0.00 -1.71 0.00 0.00 66.02 62.15 2ctk s SER 96 CO 0.85 0.16 1.04 0.72 1.20 0.00 0.00 173.24 177.21 2ctk s PHE 97 N -0.44 0.97 0.30 3.44 -0.71 -1.26 -5.06 117.98 115.21 2ctk s PHE 97 Ca 0.29 0.86 0.11 0.00 -1.04 0.00 0.00 56.93 57.15 2ctk s PHE 97 Cb -0.18 -3.17 -0.05 0.00 -1.21 0.00 0.00 43.02 38.41 2ctk s PHE 97 CO 0.16 -3.90 -0.15 0.15 -1.34 0.00 0.00 175.22 170.15 2ctk s LYS 98 N -4.89 1.78 -0.05 1.99 1.02 -1.26 -5.08 119.74 113.25 2ctk s LYS 98 Ca 0.68 -1.79 -0.17 0.00 0.02 0.00 0.00 55.97 54.71 2ctk s LYS 98 Cb -0.18 -1.79 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 2ctk s LYS 98 CO 0.60 0.27 0.69 1.03 -0.92 0.00 0.00 175.35 177.02 2ctk h SER 99 N 2.15 -0.33 -2.51 2.83 0.87 -1.99 -3.50 113.55 111.08 2ctk h SER 99 Ca -0.41 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2ctk h SER 99 Cb 1.26 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2ctk h SER 99 CO 0.63 0.16 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 2ctk n GLY 100 N 0.55 3.41 0.24 5.77 0.00 -1.26 -4.97 105.19 108.93 2ctk n GLY 100 Ca -0.07 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 0.68 -6.04 1.61 0.13 -1.98 -3.33 132.00 123.07 2ctk h PRO 101 Ca 0.00 -0.36 -0.69 0.00 -0.87 0.00 0.00 66.00 64.09 2ctk h PRO 101 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2ctk h PRO 101 CO 0.00 0.97 1.30 -1.13 -0.23 0.00 0.00 178.00 178.90 2ctk n SER 102 N -4.03 2.18 -3.88 1.44 3.41 -1.26 -1.72 113.62 109.77 2ctk n SER 102 Ca -0.02 0.59 -0.27 0.00 -0.26 0.00 0.00 58.87 58.92 2ctk n SER 102 Cb 0.53 -1.22 -0.07 0.00 -0.26 0.00 0.00 64.21 63.19 2ctk n SER 102 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ctk n SER 103 N 8.65 0.05 0.00 4.04 3.41 -1.26 -5.15 113.62 123.35 2ctk n SER 103 Ca 0.38 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 2ctk n SER 103 Cb 0.20 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2ctk n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49