#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hck n GLU 2 N 0.00 -3.59 -3.65 0.03 1.02 -1.26 -5.02 120.64 108.18 3hck n GLU 2 Ca 0.00 2.74 -0.10 0.00 -0.02 0.00 0.00 57.16 59.78 3hck n GLU 2 Cb 0.00 -3.31 -0.11 0.00 -0.02 0.00 0.00 31.44 28.00 3hck n GLU 2 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hck s THR 3 N -4.55 -0.56 -0.32 2.62 -4.23 -1.26 -5.11 115.64 102.23 3hck s THR 3 Ca 0.00 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.69 3hck s THR 3 Cb 0.00 -0.59 0.12 0.00 1.34 0.00 0.00 72.50 73.36 3hck s THR 3 CO 0.00 0.08 0.16 -1.61 -0.54 0.00 0.00 174.62 172.71 3hck s GLU 4 N 2.54 0.46 -0.54 3.99 8.01 -1.26 -5.00 118.70 126.90 3hck s GLU 4 Ca -0.00 -0.98 0.04 0.00 0.01 0.00 0.00 54.97 54.04 3hck s GLU 4 Cb -0.12 -1.40 0.39 0.00 -4.31 0.00 0.00 34.13 28.69 3hck s GLU 4 CO -0.11 -1.09 1.25 0.39 0.01 0.00 0.00 175.26 175.71 3hck n GLU 5 N 4.66 3.37 0.05 1.61 1.02 -1.26 -4.64 120.64 125.45 3hck n GLU 5 Ca 0.02 -4.42 0.12 0.00 -0.02 0.00 0.00 57.16 52.86 3hck n GLU 5 Cb 0.40 -2.26 0.15 0.00 -0.02 0.00 0.00 31.44 29.70 3hck n GLU 5 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3hck n TRP 6 N -0.44 0.50 -4.00 -0.32 4.27 -1.26 -4.73 117.44 111.45 3hck n TRP 6 Ca 0.40 0.15 -0.36 0.00 -3.89 0.00 0.00 57.50 53.80 3hck n TRP 6 Cb 0.54 -0.62 -0.08 0.00 -1.36 0.00 0.00 31.31 29.80 3hck n TRP 6 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3hck s PHE 7 N -3.17 3.38 -0.00 -2.67 5.36 -1.26 -1.55 117.98 118.07 3hck s PHE 7 Ca 0.06 0.31 0.03 0.00 -0.96 0.00 0.00 56.93 56.36 3hck s PHE 7 Cb 0.14 -1.97 -0.01 0.00 -0.34 0.00 0.00 43.02 40.84 3hck s PHE 7 CO 0.73 0.47 -0.09 -0.06 -1.46 0.00 0.00 175.22 174.81 3hck s PHE 8 N -0.44 0.76 0.16 10.12 0.08 -0.85 -5.00 117.98 122.81 3hck s PHE 8 Ca 0.10 -0.17 0.11 0.00 0.12 0.00 0.00 56.93 57.09 3hck s PHE 8 Cb -0.12 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 3hck s PHE 8 CO 0.02 -0.01 -0.24 -1.59 -0.10 0.00 0.00 175.22 173.30 3hck s LYS 9 N -0.34 1.54 0.00 0.44 0.00 -1.26 -4.24 119.74 115.88 3hck s LYS 9 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 55.97 54.60 3hck s LYS 9 Cb -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 37.83 35.87 3hck s LYS 9 CO -0.00 0.43 0.00 0.41 0.00 0.00 0.00 175.35 176.19 3hck n GLY 10 N 0.57 3.13 3.86 0.59 0.00 -1.26 -5.02 105.19 107.07 3hck n GLY 10 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3hck n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hck s ILE 11 N -1.89 4.68 0.27 -0.61 2.07 -1.26 -5.09 121.20 119.37 3hck s ILE 11 Ca 0.00 0.87 0.02 0.00 -1.41 0.00 0.00 60.65 60.14 3hck s ILE 11 Cb 0.00 -3.76 0.02 0.00 0.13 0.00 0.00 42.46 38.86 3hck s ILE 11 CO 0.00 -0.71 0.20 -1.54 -1.91 0.00 0.00 174.94 170.98 3hck n SER 12 N -1.71 1.89 0.17 4.50 3.41 -1.26 -4.94 113.62 115.68 3hck n SER 12 Ca 0.05 -1.95 0.05 0.00 -0.26 0.00 0.00 58.87 56.75 3hck n SER 12 Cb 0.54 -0.02 0.22 0.00 -0.26 0.00 0.00 64.21 64.69 3hck n SER 12 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3hck h ARG 13 N 0.00 0.00 0.13 4.33 1.12 -1.97 -1.95 114.38 116.04 3hck h ARG 13 Ca -0.17 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.69 3hck h ARG 13 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 3hck h ARG 13 CO 0.27 0.43 -0.06 0.87 -3.11 0.00 0.00 179.97 178.37 3hck h LYS 14 N 0.00 -0.17 -0.45 0.20 1.79 -1.99 -2.28 116.57 113.68 3hck h LYS 14 Ca -0.00 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.61 3hck h LYS 14 Cb 1.10 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 3hck h LYS 14 CO 0.06 -0.11 0.42 -0.44 -1.08 0.00 0.00 179.45 178.30 3hck h ASP 15 N -0.62 0.00 0.22 0.86 5.19 -1.97 0.86 116.42 120.96 3hck h ASP 15 Ca -0.02 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.23 3hck h ASP 15 Cb 0.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3hck h ASP 15 CO 0.03 0.00 -0.61 0.00 -3.12 0.00 0.00 179.24 175.54 3hck h ALA 16 N 1.57 0.75 0.00 3.45 0.00 -1.39 0.43 119.26 124.08 3hck h ALA 16 Ca 0.21 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3hck h ALA 16 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hck h ALA 16 CO -0.00 0.72 -0.41 0.93 0.00 0.00 0.00 179.25 180.49 3hck h GLU 17 N 0.28 0.00 0.00 0.00 5.08 0.13 -2.58 114.58 117.49 3hck h GLU 17 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3hck h GLU 17 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3hck h GLU 17 CO 0.10 0.41 -1.11 0.00 -1.00 0.00 0.00 179.01 177.41 3hck h ARG 18 N 0.00 0.00 -0.01 2.33 3.08 -1.03 -2.83 114.38 115.91 3hck h ARG 18 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 3hck h ARG 18 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3hck h ARG 18 CO 0.05 0.35 -0.61 1.96 -1.07 0.00 0.00 179.97 180.66 3hck h GLN 19 N 0.00 0.04 0.21 0.04 1.08 -0.68 -0.20 115.11 115.60 3hck h GLN 19 Ca -0.11 -0.03 -0.33 0.00 -1.45 0.00 0.00 58.65 56.74 3hck h GLN 19 Cb 1.50 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.96 3hck h GLN 19 CO 0.05 0.64 -1.52 -0.07 -0.95 0.00 0.00 178.83 176.98 3hck h LEU 20 N 0.03 0.71 -0.62 1.46 3.38 -1.55 -3.21 115.31 115.51 3hck h LEU 20 Ca -0.01 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 3hck h LEU 20 Cb 1.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hck h LEU 20 CO 0.08 1.71 0.00 0.18 0.09 0.00 0.00 178.44 180.50 3hck n LEU 21 N -3.72 0.71 -4.55 1.67 4.77 -1.07 -4.46 117.00 110.36 3hck n LEU 21 Ca -0.20 0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 3hck n LEU 21 Cb 1.06 -0.54 0.23 0.00 -2.33 0.00 0.00 43.42 41.84 3hck n LEU 21 CO 0.55 -0.51 0.56 0.00 -1.33 0.00 0.00 177.39 176.66 3hck s ALA 22 N -3.29 0.07 0.01 -1.18 0.00 -0.09 -4.93 121.76 112.35 3hck s ALA 22 Ca 0.05 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 3hck s ALA 22 Cb 0.10 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3hck s ALA 22 CO 0.43 -3.52 1.19 -1.25 0.00 0.00 0.00 175.76 172.60 3hck s PRO 23 N -4.54 4.41 0.00 0.00 0.04 -1.26 -3.57 135.00 130.08 3hck s PRO 23 Ca 0.68 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3hck s PRO 23 Cb -0.24 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3hck s PRO 23 CO 0.63 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.76 3hck n GLY 24 N 3.25 3.63 3.82 0.56 0.00 -1.26 -5.09 105.19 110.10 3hck n GLY 24 Ca 0.09 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 3hck n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hck s ASN 25 N 0.00 6.94 0.17 1.61 0.01 -1.23 -5.03 114.94 117.41 3hck s ASN 25 Ca 0.00 1.59 -0.07 0.00 -0.71 0.00 0.00 52.86 53.67 3hck s ASN 25 Cb 0.00 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 3hck s ASN 25 CO 0.00 -0.28 0.24 0.00 -1.51 0.00 0.00 177.10 175.55 3hck s MET 26 N -2.97 1.16 -0.32 -0.60 0.23 -1.26 -4.90 119.30 110.63 3hck s MET 26 Ca 0.58 -1.30 -0.44 0.00 -1.03 0.00 0.00 55.69 53.50 3hck s MET 26 Cb -0.11 0.34 -0.20 0.00 -1.53 0.00 0.00 34.83 33.34 3hck s MET 26 CO 0.15 -0.41 1.41 -0.11 -2.03 0.00 0.00 175.02 174.04 3hck n LEU 27 N -0.22 0.79 0.00 0.18 -0.00 -1.26 -0.41 117.00 116.08 3hck n LEU 27 Ca -0.05 1.18 0.00 0.00 -0.00 0.00 0.00 56.01 57.14 3hck n LEU 27 Cb 0.63 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 3hck n LEU 27 CO 0.27 -1.21 0.00 0.61 -0.00 0.00 0.00 177.39 177.05 3hck n GLY 28 N 3.12 1.35 3.71 -3.96 0.00 -1.25 -4.90 105.19 103.26 3hck n GLY 28 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 3hck n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hck s SER 29 N -0.85 6.43 0.25 1.61 0.01 0.45 -2.29 113.70 119.31 3hck s SER 29 Ca 0.00 2.78 0.10 0.00 1.31 0.00 0.00 55.95 60.13 3hck s SER 29 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3hck s SER 29 CO 0.00 -0.96 -0.16 0.72 0.41 0.00 0.00 173.24 173.25 3hck s PHE 30 N 1.82 2.00 -0.16 2.43 -0.71 -1.06 -1.68 117.98 120.61 3hck s PHE 30 Ca 0.76 -0.47 -0.19 0.00 -1.04 0.00 0.00 56.93 55.99 3hck s PHE 30 Cb -0.47 -0.91 0.05 0.00 -1.21 0.00 0.00 43.02 40.47 3hck s PHE 30 CO 0.33 0.52 0.52 0.00 -1.34 0.00 0.00 175.22 175.25 3hck s MET 31 N -3.59 0.66 -0.04 1.99 0.23 0.10 -0.44 119.30 118.22 3hck s MET 31 Ca 0.26 0.59 0.06 0.00 -1.03 0.00 0.00 55.69 55.57 3hck s MET 31 Cb -0.02 0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 3hck s MET 31 CO 0.11 -0.11 -0.20 0.42 -2.03 0.00 0.00 175.02 173.21 3hck s ILE 32 N -0.03 2.59 -0.07 3.16 1.01 -0.60 -0.04 121.20 127.22 3hck s ILE 32 Ca -0.02 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 3hck s ILE 32 Cb -0.03 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.50 3hck s ILE 32 CO 0.02 0.58 0.33 0.00 0.00 0.00 0.00 174.94 175.87 3hck s ARG 33 N -0.63 0.54 0.59 2.79 1.70 -0.75 -2.01 118.95 121.19 3hck s ARG 33 Ca 0.10 0.14 -0.13 0.00 -0.47 0.00 0.00 55.73 55.36 3hck s ARG 33 Cb -0.11 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.47 3hck s ARG 33 CO 0.00 -0.12 1.02 0.34 -1.08 0.00 0.00 175.30 175.46 3hck s ASP 34 N -0.59 6.25 0.63 -2.89 -1.08 -1.26 -0.79 116.67 116.93 3hck s ASP 34 Ca -0.07 1.50 -0.15 0.00 -0.52 0.00 0.00 52.55 53.31 3hck s ASP 34 Cb -0.04 -2.49 -0.02 0.00 -1.46 0.00 0.00 42.92 38.92 3hck s ASP 34 CO 0.02 -0.85 1.08 -0.55 0.52 0.00 0.00 175.17 175.40 3hck s SER 35 N -3.74 5.45 -0.00 -0.34 0.15 -0.53 -4.79 113.70 109.90 3hck s SER 35 Ca 0.57 1.91 0.08 0.00 0.70 0.00 0.00 55.95 59.20 3hck s SER 35 Cb -0.11 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.55 3hck s SER 35 CO 0.46 -1.40 0.27 -1.84 1.20 0.00 0.00 173.24 171.93 3hck n GLU 36 N -2.23 2.63 -0.05 5.44 0.28 -1.26 -4.53 120.64 120.92 3hck n GLU 36 Ca 0.10 -0.03 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 3hck n GLU 36 Cb 0.52 -1.01 -0.03 0.00 1.43 0.00 0.00 31.44 32.35 3hck n GLU 36 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3hck n THR 37 N -1.44 1.21 -2.80 3.84 -2.24 -1.26 -4.75 114.28 106.83 3hck n THR 37 Ca 0.00 0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3hck n THR 37 Cb 0.16 -1.92 0.01 0.00 -2.10 0.00 0.00 70.33 66.48 3hck n THR 37 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hck n THR 38 N -3.95 5.60 -1.19 4.28 -1.04 -1.26 -5.03 114.28 111.70 3hck n THR 38 Ca -0.18 -5.84 -0.37 0.00 -2.04 0.00 0.00 64.05 55.61 3hck n THR 38 Cb 0.48 -1.89 0.03 0.00 -1.82 0.00 0.00 70.33 67.14 3hck n THR 38 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3hck n LYS 39 N 0.91 0.09 0.00 -2.82 2.85 -1.26 -2.30 118.16 115.63 3hck n LYS 39 Ca 0.36 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.66 3hck n LYS 39 Cb 0.30 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 3hck n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hck n GLY 40 N 2.51 3.07 3.61 2.58 0.00 -1.26 -5.02 105.19 110.68 3hck n GLY 40 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3hck n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hck s SER 41 N -1.18 4.62 0.22 1.61 0.01 -0.97 -4.79 113.70 113.22 3hck s SER 41 Ca 0.00 -0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.07 3hck s SER 41 Cb 0.00 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 3hck s SER 41 CO 0.00 0.20 -0.02 -0.31 0.41 0.00 0.00 173.24 173.52 3hck s TYR 42 N -1.19 2.72 -0.05 2.43 1.51 -0.94 -1.45 117.35 120.37 3hck s TYR 42 Ca 0.22 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 3hck s TYR 42 Cb -0.11 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.50 3hck s TYR 42 CO 0.14 0.57 -0.01 -1.12 -1.11 0.00 0.00 175.55 174.02 3hck s SER 43 N -3.30 1.19 0.13 2.29 0.01 0.03 -0.09 113.70 113.95 3hck s SER 43 Ca 0.29 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.46 3hck s SER 43 Cb -0.08 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 3hck s SER 43 CO 0.19 -0.15 0.32 -0.22 0.41 0.00 0.00 173.24 173.79 3hck s LEU 44 N 1.56 4.29 -0.05 2.44 2.96 0.15 -1.81 118.68 128.23 3hck s LEU 44 Ca -0.02 0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3hck s LEU 44 Cb -0.13 -3.16 0.03 0.00 0.50 0.00 0.00 46.19 43.43 3hck s LEU 44 CO -0.03 0.07 0.04 -0.44 -1.32 0.00 0.00 176.35 174.67 3hck s SER 45 N -2.63 1.16 0.12 3.68 0.01 0.94 -0.18 113.70 116.80 3hck s SER 45 Ca 0.38 0.04 0.08 0.00 1.31 0.00 0.00 55.95 57.76 3hck s SER 45 Cb -0.12 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 3hck s SER 45 CO 0.27 -0.23 -0.19 -0.69 0.41 0.00 0.00 173.24 172.81 3hck s VAL 46 N 2.04 1.65 0.04 3.43 1.01 0.00 0.01 120.40 128.59 3hck s VAL 46 Ca 0.04 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.09 3hck s VAL 46 Cb -0.12 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3hck s VAL 46 CO -0.03 -0.21 0.77 -0.60 0.00 0.00 0.00 175.10 175.03 3hck s ARG 47 N -2.30 4.49 0.09 2.72 3.52 -0.68 0.63 118.95 127.44 3hck s ARG 47 Ca 0.09 1.06 -0.00 0.00 -0.13 0.00 0.00 55.73 56.75 3hck s ARG 47 Cb -0.08 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 3hck s ARG 47 CO 0.05 0.27 -0.00 0.34 -0.81 0.00 0.00 175.30 175.15 3hck s ASP 48 N -0.01 0.56 0.05 -2.12 2.15 0.65 -3.82 116.67 114.13 3hck s ASP 48 Ca 0.39 -1.09 0.03 0.00 0.43 0.00 0.00 52.55 52.31 3hck s ASP 48 Cb -0.20 0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 42.61 3hck s ASP 48 CO 0.23 -0.63 -0.10 -0.47 -0.17 0.00 0.00 175.17 174.03 3hck s TYR 49 N -3.91 0.85 0.03 -5.34 6.14 -1.26 0.39 117.35 114.25 3hck s TYR 49 Ca 0.15 -0.48 0.06 0.00 0.64 0.00 0.00 57.07 57.45 3hck s TYR 49 Cb 0.07 -0.50 -0.02 0.00 0.42 0.00 0.00 41.96 41.93 3hck s TYR 49 CO -0.04 -0.03 -0.18 0.34 0.64 0.00 0.00 175.55 176.28 3hck s ASP 50 N -1.59 2.10 0.00 4.32 2.15 0.39 -4.95 116.67 119.09 3hck s ASP 50 Ca -0.07 -0.45 0.23 0.00 0.43 0.00 0.00 52.55 52.69 3hck s ASP 50 Cb -0.10 -0.18 1.27 0.00 -0.30 0.00 0.00 42.92 43.62 3hck s ASP 50 CO 0.01 0.13 1.76 -0.81 -0.17 0.00 0.00 175.17 176.09 3hck n PRO 51 N 2.05 0.51 -0.05 4.34 -0.04 -1.26 -0.90 135.00 139.65 3hck n PRO 51 Ca -0.17 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.27 3hck n PRO 51 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 3hck n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hck n ARG 52 N -1.16 0.34 -0.06 0.54 3.00 -1.26 -4.83 116.66 113.23 3hck n ARG 52 Ca 0.14 0.13 -0.04 0.00 -0.01 0.00 0.00 57.85 58.08 3hck n ARG 52 Cb 0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 32.46 31.49 3hck n ARG 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3hck h GLN 53 N -0.64 0.00 0.00 5.56 4.20 -1.99 -3.51 115.11 118.74 3hck h GLN 53 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hck h GLN 53 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3hck h GLN 53 CO 0.00 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 178.81 3hck n GLY 54 N 1.73 0.43 3.73 3.46 0.00 -0.07 -4.95 105.19 109.52 3hck n GLY 54 Ca -0.03 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 3hck n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hck s ASP 55 N -4.00 7.26 0.25 1.61 1.11 -1.26 0.15 116.67 121.79 3hck s ASP 55 Ca 0.00 2.02 -0.13 0.00 0.18 0.00 0.00 52.55 54.61 3hck s ASP 55 Cb 0.00 -2.60 -0.00 0.00 1.07 0.00 0.00 42.92 41.39 3hck s ASP 55 CO 0.00 -0.25 0.49 0.42 1.18 0.00 0.00 175.17 177.01 3hck s THR 56 N 0.11 0.00 -0.11 -1.27 -4.23 0.16 -4.91 115.64 105.39 3hck s THR 56 Ca 0.51 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3hck s THR 56 Cb -0.28 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3hck s THR 56 CO 0.33 -0.00 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.61 3hck s VAL 57 N -4.01 1.18 0.20 2.29 1.01 -1.26 -0.26 120.40 119.56 3hck s VAL 57 Ca 0.22 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 3hck s VAL 57 Cb -0.01 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3hck s VAL 57 CO 0.09 0.39 0.57 -0.54 0.00 0.00 0.00 175.10 175.61 3hck s LYS 58 N 1.44 3.91 -0.07 2.72 -0.14 0.21 -4.90 119.74 122.91 3hck s LYS 58 Ca 0.01 0.43 0.01 0.00 -1.36 0.00 0.00 55.97 55.06 3hck s LYS 58 Cb -0.13 -2.75 0.02 0.00 -1.68 0.00 0.00 37.83 33.28 3hck s LYS 58 CO -0.06 0.37 -0.09 -1.01 -0.76 0.00 0.00 175.35 173.80 3hck s HIS 59 N -1.68 1.29 0.18 3.18 3.76 -1.26 -0.82 115.29 119.95 3hck s HIS 59 Ca 0.44 -0.50 0.11 0.00 -0.15 0.00 0.00 55.06 54.96 3hck s HIS 59 Cb -0.13 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 3hck s HIS 59 CO 0.20 -0.31 -0.24 0.71 -0.85 0.00 0.00 174.74 174.24 3hck s TYR 60 N 0.99 2.28 0.07 1.40 2.02 0.74 -4.97 117.35 119.87 3hck s TYR 60 Ca -0.09 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.20 3hck s TYR 60 Cb -0.15 -1.15 -0.05 0.00 -0.40 0.00 0.00 41.96 40.22 3hck s TYR 60 CO 0.00 0.46 0.29 0.15 -1.57 0.00 0.00 175.55 174.89 3hck s LYS 61 N -2.56 3.56 -0.29 -0.62 -0.14 -1.26 0.33 119.74 118.76 3hck s LYS 61 Ca 0.19 -0.17 0.02 0.00 -1.36 0.00 0.00 55.97 54.65 3hck s LYS 61 Cb -0.08 -2.99 0.08 0.00 -1.68 0.00 0.00 37.83 33.16 3hck s LYS 61 CO 0.09 0.57 0.01 0.42 -0.76 0.00 0.00 175.35 175.68 3hck s ILE 62 N -1.48 1.72 0.35 2.17 1.01 0.88 -4.63 121.20 121.21 3hck s ILE 62 Ca 0.34 -1.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.28 3hck s ILE 62 Cb -0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3hck s ILE 62 CO 0.22 -0.37 0.61 -0.13 0.00 0.00 0.00 174.94 175.26 3hck s ARG 63 N 1.24 3.58 0.18 2.79 1.81 -0.95 -2.23 118.95 125.38 3hck s ARG 63 Ca 0.03 -0.03 0.01 0.00 -1.72 0.00 0.00 55.73 54.02 3hck s ARG 63 Cb -0.19 -2.59 -0.04 0.00 -0.45 0.00 0.00 34.95 31.69 3hck s ARG 63 CO -0.10 0.11 0.34 0.95 -0.68 0.00 0.00 175.30 175.91 3hck s THR 64 N -2.28 5.26 0.55 0.02 -4.23 -1.26 -0.35 115.64 113.35 3hck s THR 64 Ca 0.44 -0.56 -0.09 0.00 -1.18 0.00 0.00 61.69 60.30 3hck s THR 64 Cb -0.10 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 70.11 3hck s THR 64 CO 0.34 -0.15 0.74 0.18 -0.54 0.00 0.00 174.62 175.19 3hck n LEU 65 N -0.68 0.00 -1.15 4.79 4.77 -1.20 -4.88 117.00 118.65 3hck n LEU 65 Ca -0.06 -0.86 0.07 0.00 -0.03 0.00 0.00 56.01 55.13 3hck n LEU 65 Cb 0.54 -0.56 0.25 0.00 -2.33 0.00 0.00 43.42 41.32 3hck n LEU 65 CO 0.48 -1.02 0.70 0.47 -1.33 0.00 0.00 177.39 176.69 3hck n ASP 66 N -3.45 3.34 0.00 -1.43 8.00 -1.26 -4.03 116.55 117.71 3hck n ASP 66 Ca 0.09 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.38 3hck n ASP 66 Cb 0.33 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3hck n ASP 66 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3hck n ASN 67 N 0.86 2.98 0.00 -2.24 5.15 -1.26 -5.06 115.26 115.69 3hck n ASN 67 Ca 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 3hck n ASN 67 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 3hck n ASN 67 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hck n GLY 68 N 3.26 -0.12 0.00 8.20 0.00 -1.26 -5.18 105.19 110.09 3hck n GLY 68 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3hck n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hck n GLY 69 N 0.00 5.17 3.53 -0.02 0.00 -1.26 -4.82 105.19 107.79 3hck n GLY 69 Ca 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 3hck n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hck s PHE 70 N 0.04 -1.03 0.03 1.61 0.40 0.12 -3.24 117.98 115.90 3hck s PHE 70 Ca 0.00 1.97 0.02 0.00 -0.60 0.00 0.00 56.93 58.32 3hck s PHE 70 Cb 0.00 0.58 -0.02 0.00 0.51 0.00 0.00 43.02 44.09 3hck s PHE 70 CO 0.00 -0.53 -0.08 1.52 0.70 0.00 0.00 175.22 176.83 3hck s TYR 71 N 2.08 0.66 -0.25 0.36 1.13 0.52 -2.18 117.35 119.67 3hck s TYR 71 Ca -0.08 -0.38 -0.06 0.00 -1.41 0.00 0.00 57.07 55.14 3hck s TYR 71 Cb -0.08 -0.40 -0.13 0.00 -1.10 0.00 0.00 41.96 40.25 3hck s TYR 71 CO -0.17 -0.05 -0.28 -0.89 -2.51 0.00 0.00 175.55 171.64 3hck n ILE 72 N 1.89 1.38 -4.42 -3.49 5.41 -1.26 -2.24 119.36 116.63 3hck n ILE 72 Ca -0.20 -0.43 -0.30 0.00 1.00 0.00 0.00 62.75 62.82 3hck n ILE 72 Cb 0.56 -1.63 -0.11 0.00 -0.71 0.00 0.00 39.64 37.74 3hck n ILE 72 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3hck s SER 73 N -6.86 4.07 -0.72 4.38 0.15 -1.26 -4.93 113.70 108.53 3hck s SER 73 Ca -0.34 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 55.82 3hck s SER 73 Cb 0.11 -0.70 -0.12 0.00 -1.71 0.00 0.00 66.02 63.60 3hck s SER 73 CO 0.49 0.22 2.63 -0.81 1.20 0.00 0.00 173.24 176.97 3hck n PRO 74 N 1.11 2.25 0.02 5.44 -0.04 -1.26 -3.72 135.00 138.80 3hck n PRO 74 Ca -0.15 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 3hck n PRO 74 Cb 0.52 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 3hck n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hck n ARG 75 N 3.39 0.00 -4.30 0.54 5.12 -1.26 -5.09 116.66 115.07 3hck n ARG 75 Ca 0.48 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 56.08 3hck n ARG 75 Cb 0.39 -0.01 -0.16 0.00 -1.16 0.00 0.00 32.46 31.51 3hck n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3hck s SER 76 N -4.27 3.01 0.37 0.55 0.01 -1.24 -5.12 113.70 107.00 3hck s SER 76 Ca 0.00 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 56.74 3hck s SER 76 Cb 0.00 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.81 3hck s SER 76 CO 0.00 0.02 0.35 0.42 0.41 0.00 0.00 173.24 174.43 3hck s THR 77 N 1.15 3.26 -0.02 1.44 -4.23 -1.26 -4.63 115.64 111.35 3hck s THR 77 Ca 0.01 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3hck s THR 77 Cb -0.14 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.59 3hck s THR 77 CO -0.09 -0.11 0.00 -0.36 -0.54 0.00 0.00 174.62 173.53 3hck s PHE 78 N -2.35 0.16 0.23 3.99 0.40 -0.93 -5.01 117.98 114.48 3hck s PHE 78 Ca 0.44 0.03 0.36 0.00 -0.60 0.00 0.00 56.93 57.16 3hck s PHE 78 Cb -0.05 -0.24 1.61 0.00 0.51 0.00 0.00 43.02 44.85 3hck s PHE 78 CO 0.28 -0.07 2.07 0.77 0.70 0.00 0.00 175.22 178.97 3hck h SER 79 N 6.84 0.00 -4.90 1.36 0.02 -1.88 0.33 113.55 115.33 3hck h SER 79 Ca -0.37 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.37 3hck h SER 79 Cb 1.16 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.49 3hck h SER 79 CO 0.49 0.00 -0.71 0.42 -1.14 0.00 0.00 176.83 175.89 3hck s THR 80 N -3.78 0.27 0.03 -2.27 -4.23 -1.26 -4.46 115.64 99.95 3hck s THR 80 Ca -0.00 -0.99 0.31 0.00 -1.18 0.00 0.00 61.69 59.83 3hck s THR 80 Cb 0.10 -0.41 0.37 0.00 1.34 0.00 0.00 72.50 73.90 3hck s THR 80 CO 0.51 -0.46 1.92 -0.07 -0.54 0.00 0.00 174.62 175.98 3hck h LEU 81 N 4.57 0.00 -0.94 4.79 3.38 -1.91 -2.45 115.31 122.74 3hck h LEU 81 Ca -0.33 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 3hck h LEU 81 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3hck h LEU 81 CO 0.41 0.02 -0.51 -0.61 0.09 0.00 0.00 178.44 177.85 3hck h GLN 82 N 0.00 0.00 0.00 1.13 5.75 -1.97 -0.11 115.11 119.91 3hck h GLN 82 Ca -0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 3hck h GLN 82 Cb 0.60 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3hck h GLN 82 CO 0.00 0.51 -0.60 0.93 -2.65 0.00 0.00 178.83 177.01 3hck h GLU 83 N 0.00 0.00 0.00 1.69 4.39 -1.86 -2.49 114.58 116.32 3hck h GLU 83 Ca -0.01 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 3hck h GLU 83 Cb 0.93 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 3hck h GLU 83 CO 0.07 0.22 -1.12 1.25 -1.16 0.00 0.00 179.01 178.27 3hck h LEU 84 N 0.00 0.00 0.04 1.33 6.46 -1.27 -2.72 115.31 119.15 3hck h LEU 84 Ca -0.03 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.60 3hck h LEU 84 Cb 1.23 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.18 3hck h LEU 84 CO 0.03 0.79 -0.52 0.58 -0.62 0.00 0.00 178.44 178.70 3hck h VAL 85 N 0.00 1.51 -0.71 1.05 2.07 -1.05 -2.14 116.25 116.98 3hck h VAL 85 Ca -0.10 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 3hck h VAL 85 Cb 1.69 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 34.29 3hck h VAL 85 CO 0.09 0.62 0.41 0.44 0.02 0.00 0.00 177.57 179.14 3hck h ASP 86 N -0.35 0.87 0.38 0.57 5.19 -1.56 0.26 116.42 121.80 3hck h ASP 86 Ca -0.08 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.20 3hck h ASP 86 Cb 1.30 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 3hck h ASP 86 CO 0.10 0.70 -0.24 -0.74 -3.12 0.00 0.00 179.24 175.94 3hck h HIS 87 N 0.97 0.00 0.00 4.55 2.76 -1.54 -1.46 115.15 120.43 3hck h HIS 87 Ca 0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3hck h HIS 87 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 3hck h HIS 87 CO -0.01 0.24 -0.33 1.88 -1.30 0.00 0.00 177.93 178.42 3hck h TYR 88 N 0.00 0.00 0.00 5.26 -1.99 -0.45 -2.49 116.97 117.30 3hck h TYR 88 Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 3hck h TYR 88 Cb 0.50 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 3hck h TYR 88 CO 0.00 0.00 -0.80 0.87 -0.00 0.00 0.00 178.16 178.23 3hck h LYS 89 N 0.00 0.00 0.00 4.88 1.57 0.45 -1.28 116.57 122.19 3hck h LYS 89 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3hck h LYS 89 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 3hck h LYS 89 CO 0.00 0.55 -1.21 0.87 -0.57 0.00 0.00 179.45 179.09 3hck h LYS 90 N 0.00 0.00 -1.20 3.15 1.57 -1.36 -3.43 116.57 115.31 3hck h LYS 90 Ca -0.04 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.91 3hck h LYS 90 Cb 1.51 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.52 3hck h LYS 90 CO 0.07 0.45 0.80 0.20 -0.57 0.00 0.00 179.45 180.40 3hck s GLY 91 N -4.76 0.15 0.18 3.86 0.00 -0.94 -5.03 107.32 100.77 3hck s GLY 91 Ca -0.01 3.07 -0.14 0.00 0.00 0.00 0.00 44.72 47.64 3hck s GLY 91 CO 0.80 1.62 1.72 3.45 0.00 0.00 0.00 173.10 180.69 3hck h ASN 92 N 2.98 0.02 -6.92 1.64 -1.07 -1.81 -3.30 115.58 107.13 3hck h ASN 92 Ca -0.22 0.08 -0.59 0.00 0.07 0.00 0.00 56.30 55.64 3hck h ASN 92 Cb 1.19 0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 37.53 3hck h ASN 92 CO 0.19 0.04 -1.02 -0.67 0.07 0.00 0.00 177.43 176.04 3hck n ASP 93 N -5.10 -4.22 0.00 6.14 -0.08 -1.26 -2.59 116.55 109.44 3hck n ASP 93 Ca 0.04 -1.27 0.00 0.00 -1.51 0.00 0.00 54.79 52.05 3hck n ASP 93 Cb 0.22 -1.69 0.00 0.00 2.34 0.00 0.00 41.12 41.98 3hck n ASP 93 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hck n GLY 94 N -2.06 3.71 3.69 0.27 0.00 -1.26 -5.04 105.19 104.50 3hck n GLY 94 Ca -0.13 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 3hck n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hck s LEU 95 N 0.00 2.04 0.19 0.99 1.43 -1.07 -4.94 118.68 117.33 3hck s LEU 95 Ca 0.00 1.45 0.10 0.00 -1.03 0.00 0.00 54.13 54.64 3hck s LEU 95 Cb 0.00 -3.78 0.03 0.00 0.03 0.00 0.00 46.19 42.47 3hck s LEU 95 CO 0.00 -2.87 1.42 0.00 0.23 0.00 0.00 176.35 175.13 3hck s GLN 97 N -3.03 0.31 1.01 0.00 -0.21 -1.26 -5.07 119.66 111.42 3hck s GLN 97 Ca 0.01 0.53 -0.14 0.00 0.02 0.00 0.00 55.36 55.78 3hck s GLN 97 Cb 0.10 0.04 0.10 0.00 1.00 0.00 0.00 33.01 34.25 3hck s GLN 97 CO 0.79 -0.11 0.49 0.36 -2.12 0.00 0.00 175.29 174.70 3hck n LYS 98 N 3.62 -0.88 -2.99 2.91 2.85 -1.26 -4.73 118.16 117.69 3hck n LYS 98 Ca -0.19 -0.22 -0.37 0.00 -1.05 0.00 0.00 58.31 56.48 3hck n LYS 98 Cb 0.56 -1.93 -0.06 0.00 -0.65 0.00 0.00 35.03 32.94 3hck n LYS 98 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hck s LEU 99 N -2.67 4.43 0.00 -5.58 1.43 -0.49 -4.84 118.68 110.96 3hck s LEU 99 Ca 0.59 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3hck s LEU 99 Cb -0.20 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3hck s LEU 99 CO 0.65 0.07 0.00 -1.54 0.23 0.00 0.00 176.35 175.76 3hck n SER 100 N 0.98 0.00 -4.20 2.29 3.41 -0.97 -4.66 113.62 110.47 3hck n SER 100 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.41 3hck n SER 100 Cb 0.50 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3hck n SER 100 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3hck s VAL 101 N -0.03 1.16 0.33 -3.33 -7.23 -1.25 -5.02 120.40 105.04 3hck s VAL 101 Ca 0.00 -1.54 -0.27 0.00 -1.81 0.00 0.00 61.98 58.36 3hck s VAL 101 Cb 0.00 -1.32 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 3hck s VAL 101 CO 0.00 -0.38 1.07 -2.16 -0.31 0.00 0.00 175.10 173.32 3hck s PRO 102 N -2.34 4.42 0.07 4.82 0.04 -1.26 -2.58 135.00 138.17 3hck s PRO 102 Ca 0.04 1.65 -0.37 0.00 0.04 0.00 0.00 61.00 62.36 3hck s PRO 102 Cb -0.06 -2.89 -0.18 0.00 0.04 0.00 0.00 34.50 31.41 3hck s PRO 102 CO 0.02 0.06 1.07 0.00 0.04 0.00 0.00 177.00 178.19 3hck s MET 104 N -0.09 -0.93 -0.23 0.00 0.23 -1.26 -4.63 119.30 112.39 3hck s MET 104 Ca 0.84 0.06 -0.03 0.00 -1.03 0.00 0.00 55.69 55.52 3hck s MET 104 Cb -1.10 -1.62 0.07 0.00 -1.53 0.00 0.00 34.83 30.65 3hck s MET 104 CO 0.54 -3.54 0.07 -1.54 -2.03 0.00 0.00 175.02 168.52 3hck s SER 105 N -3.78 3.14 -0.11 -1.18 1.04 -1.26 -5.04 113.70 106.51 3hck s SER 105 Ca 0.70 -1.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.01 3hck s SER 105 Cb -0.12 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.48 3hck s SER 105 CO 0.56 -0.36 0.29 -0.44 0.98 0.00 0.00 173.24 174.28 3hck s SER 106 N 1.89 -0.31 0.00 7.02 0.01 -1.26 -5.24 113.70 115.82 3hck s SER 106 Ca 0.03 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.88 3hck s SER 106 Cb -0.17 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.64 3hck s SER 106 CO -0.16 -0.11 0.00 2.29 0.41 0.00 0.00 173.24 175.67