#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 -2.39 -3.53 3.17 4.71 -1.26 -5.10 120.64 116.25 3hck n GLU 2 Ca 0.00 2.05 -0.16 0.00 -0.01 0.00 0.00 57.16 59.03 3hck n GLU 2 Cb 0.00 -3.46 -0.05 0.00 -1.01 0.00 0.00 31.44 26.92 3hck n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3hck s THR 3 N -0.65 0.01 -0.02 2.62 -4.23 -1.26 -5.05 115.64 107.06 3hck s THR 3 Ca -0.09 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 3hck s THR 3 Cb 0.01 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.89 3hck s THR 3 CO 0.46 -0.03 0.64 -0.62 -0.54 0.00 0.00 174.62 174.53 3hck n GLU 4 N 0.68 0.08 -1.65 3.99 1.02 -1.26 -4.99 120.64 118.51 3hck n GLU 4 Ca -0.19 -0.60 -0.33 0.00 -0.02 0.00 0.00 57.16 56.02 3hck n GLU 4 Cb 0.58 0.48 0.01 0.00 -0.02 0.00 0.00 31.44 32.49 3hck n GLU 4 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hck n GLU 5 N -0.09 2.56 -0.02 3.49 1.02 -1.26 -4.15 120.64 122.20 3hck n GLU 5 Ca -0.16 -2.96 0.07 0.00 -0.02 0.00 0.00 57.16 54.09 3hck n GLU 5 Cb 0.53 -2.19 -0.14 0.00 -0.02 0.00 0.00 31.44 29.63 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 -0.01 0.00 -3.87 -0.32 4.27 -1.26 -4.07 117.44 112.17 3hck n TRP 6 Ca 0.52 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.79 3hck n TRP 6 Cb 0.41 -0.45 -0.05 0.00 -1.36 0.00 0.00 31.31 29.86 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 -3.13 3.56 0.19 -2.67 5.36 -1.26 -1.63 117.98 118.40 3hck s PHE 7 Ca -0.07 0.42 0.04 0.00 -0.96 0.00 0.00 56.93 56.36 3hck s PHE 7 Cb 0.11 -1.88 -0.05 0.00 -0.34 0.00 0.00 43.02 40.86 3hck s PHE 7 CO 0.73 0.65 -0.04 -0.06 -1.46 0.00 0.00 175.22 175.03 3hck s PHE 8 N -1.29 1.41 0.00 10.12 0.40 0.14 -4.91 117.98 123.84 3hck s PHE 8 Ca 0.26 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 3hck s PHE 8 Cb -0.13 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.62 3hck s PHE 8 CO 0.17 -0.02 0.00 1.63 0.70 0.00 0.00 175.22 177.70 3hck n LYS 9 N -0.31 -0.82 -1.77 0.44 4.01 -1.26 -4.30 118.16 114.14 3hck n LYS 9 Ca -0.07 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.31 3hck n LYS 9 Cb 0.63 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.13 3hck n LYS 9 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hck n GLY 10 N 1.67 3.54 3.85 0.72 0.00 -1.26 -4.12 105.19 109.58 3hck n GLY 10 Ca 0.00 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 4.19 4.57 0.39 -0.61 2.07 -1.26 -4.96 121.20 125.58 3hck s ILE 11 Ca 0.52 1.15 -0.15 0.00 -1.41 0.00 0.00 60.65 60.75 3hck s ILE 11 Cb 0.12 -3.74 -0.09 0.00 0.13 0.00 0.00 42.46 38.88 3hck s ILE 11 CO -0.01 -0.74 0.81 -0.94 -1.91 0.00 0.00 174.94 172.16 3hck s SER 12 N -3.22 6.72 0.60 4.50 1.04 -1.26 -4.88 113.70 117.20 3hck s SER 12 Ca 0.58 1.35 0.31 0.00 0.48 0.00 0.00 55.95 58.67 3hck s SER 12 Cb -0.10 -2.41 1.82 0.00 0.10 0.00 0.00 66.02 65.43 3hck s SER 12 CO 0.34 -0.33 2.20 -0.09 0.98 0.00 0.00 173.24 176.34 3hck h ARG 13 N 1.78 0.00 0.00 4.02 1.12 -1.97 0.57 114.38 119.90 3hck h ARG 13 Ca -0.48 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.21 3hck h ARG 13 Cb 1.18 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.11 3hck h ARG 13 CO 0.64 0.00 -0.87 0.87 -3.11 0.00 0.00 179.97 177.50 3hck h LYS 14 N 0.00 0.00 0.00 0.20 1.79 -1.99 -2.04 116.57 114.53 3hck h LYS 14 Ca 0.03 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.33 3hck h LYS 14 Cb 0.22 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3hck h LYS 14 CO -0.00 0.87 -1.09 -0.44 -1.08 0.00 0.00 179.45 177.71 3hck h ASP 15 N 0.00 0.00 1.65 0.86 3.32 -0.81 -2.84 116.42 118.61 3hck h ASP 15 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3hck h ASP 15 Cb 1.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 3hck h ASP 15 CO 0.11 0.67 -0.20 0.00 -1.72 0.00 0.00 179.24 178.11 3hck h ALA 16 N 1.33 0.89 0.20 3.45 0.00 -0.04 -0.14 119.26 124.95 3hck h ALA 16 Ca -0.10 -0.18 -0.32 0.00 0.00 0.00 0.00 54.91 54.31 3hck h ALA 16 Cb 1.60 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.38 3hck h ALA 16 CO 0.07 0.25 -1.48 0.93 0.00 0.00 0.00 179.25 179.02 3hck h GLU 17 N 0.00 0.43 0.01 0.00 5.08 -1.39 -2.71 114.58 116.00 3hck h GLU 17 Ca -0.00 -0.74 -0.20 0.00 -1.00 0.00 0.00 59.36 57.42 3hck h GLU 17 Cb 1.08 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3hck h GLU 17 CO 0.03 1.35 -0.90 0.07 -1.00 0.00 0.00 179.01 178.56 3hck h ARG 18 N 0.01 0.16 -0.22 2.33 -0.00 -1.52 0.16 114.38 115.31 3hck h ARG 18 Ca -0.28 -0.19 -0.14 0.00 -0.00 0.00 0.00 59.98 59.37 3hck h ARG 18 Cb 2.04 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 32.05 3hck h ARG 18 CO 0.21 0.96 -0.44 1.96 -0.00 0.00 0.00 179.97 182.65 3hck h GLN 19 N 0.09 0.54 0.24 0.08 4.20 -1.13 1.08 115.11 120.22 3hck h GLN 19 Ca -0.04 -0.29 -0.33 0.00 0.06 0.00 0.00 58.65 58.04 3hck h GLN 19 Cb 1.54 0.01 0.04 0.00 0.30 0.00 0.00 27.48 29.37 3hck h GLN 19 CO 0.13 0.88 -1.45 -0.07 -0.67 0.00 0.00 178.83 177.66 3hck h LEU 20 N 0.44 0.84 -0.07 1.46 3.38 -1.46 -3.18 115.31 116.71 3hck h LEU 20 Ca 0.03 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3hck h LEU 20 Cb 0.95 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hck h LEU 20 CO 0.08 1.69 0.00 0.18 0.09 0.00 0.00 178.44 180.48 3hck n LEU 21 N -3.72 0.81 -4.24 1.67 4.77 0.04 -4.42 117.00 111.90 3hck n LEU 21 Ca -0.16 0.59 -0.34 0.00 -0.03 0.00 0.00 56.01 56.06 3hck n LEU 21 Cb 1.09 -0.34 0.10 0.00 -2.33 0.00 0.00 43.42 41.94 3hck n LEU 21 CO 0.60 -0.22 -0.69 0.00 -1.33 0.00 0.00 177.39 175.76 3hck n ALA 22 N -1.79 -3.95 0.63 -1.18 0.00 0.37 -4.83 120.51 109.77 3hck n ALA 22 Ca 0.05 -0.83 0.12 0.00 0.00 0.00 0.00 53.44 52.78 3hck n ALA 22 Cb 0.41 -1.48 0.46 0.00 0.00 0.00 0.00 19.45 18.84 3hck n ALA 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hck n PRO 23 N -0.29 0.11 -0.28 0.00 -0.04 -1.26 -2.40 135.00 130.83 3hck n PRO 23 Ca 0.03 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 3hck n PRO 23 Cb 0.58 -1.67 0.22 0.00 -0.04 0.00 0.00 33.50 32.59 3hck n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hck n GLY 24 N 0.71 1.38 3.09 0.55 0.00 -1.26 -4.87 105.19 104.79 3hck n GLY 24 Ca 0.05 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.93 0.95 0.10 1.61 0.01 -1.01 -4.67 114.94 111.00 3hck s ASN 25 Ca 0.32 -0.64 -0.11 0.00 -0.71 0.00 0.00 52.86 51.73 3hck s ASN 25 Cb 0.18 0.04 0.01 0.00 0.41 0.00 0.00 41.25 41.89 3hck s ASN 25 CO 0.20 -0.25 0.25 0.00 -1.51 0.00 0.00 177.10 175.79 3hck s MET 26 N -2.00 0.90 0.03 -0.60 0.23 -1.26 -4.75 119.30 111.84 3hck s MET 26 Ca -0.06 -0.88 -0.38 0.00 -1.03 0.00 0.00 55.69 53.34 3hck s MET 26 Cb -0.07 0.38 -0.20 0.00 -1.53 0.00 0.00 34.83 33.41 3hck s MET 26 CO -0.00 -0.31 1.01 1.28 -2.03 0.00 0.00 175.02 174.97 3hck n LEU 27 N -0.09 -0.10 0.00 0.18 4.32 -1.26 -1.02 117.00 119.03 3hck n LEU 27 Ca -0.15 1.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.99 3hck n LEU 27 Cb 0.63 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 3hck n LEU 27 CO 0.21 -2.01 0.00 0.61 -1.22 0.00 0.00 177.39 174.98 3hck n GLY 28 N 1.59 2.78 3.75 -0.72 0.00 -1.26 -5.00 105.19 106.33 3hck n GLY 28 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.32 7.39 0.09 1.61 0.01 -0.19 -1.49 113.70 119.80 3hck s SER 29 Ca 0.00 2.12 0.03 0.00 1.31 0.00 0.00 55.95 59.41 3hck s SER 29 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3hck s SER 29 CO 0.00 -0.06 -0.08 0.72 0.41 0.00 0.00 173.24 174.23 3hck s PHE 30 N -0.95 0.93 -0.07 2.43 -0.71 -1.04 -1.88 117.98 116.69 3hck s PHE 30 Ca 0.44 -0.74 -0.10 0.00 -1.04 0.00 0.00 56.93 55.50 3hck s PHE 30 Cb -0.29 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.01 3hck s PHE 30 CO 0.37 -0.07 0.25 0.00 -1.34 0.00 0.00 175.22 174.43 3hck s MET 31 N -3.05 0.37 -0.08 1.99 0.23 0.51 -1.01 119.30 118.26 3hck s MET 31 Ca 0.06 0.18 0.04 0.00 -1.03 0.00 0.00 55.69 54.94 3hck s MET 31 Cb -0.01 0.17 -0.01 0.00 -1.53 0.00 0.00 34.83 33.46 3hck s MET 31 CO -0.02 -0.07 -0.21 0.42 -2.03 0.00 0.00 175.02 173.11 3hck s ILE 32 N -0.27 2.35 0.20 3.16 1.01 -0.65 -0.98 121.20 126.03 3hck s ILE 32 Ca -0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 3hck s ILE 32 Cb -0.03 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3hck s ILE 32 CO 0.01 0.56 0.18 0.00 0.00 0.00 0.00 174.94 175.69 3hck s ARG 33 N -0.00 1.22 0.22 2.79 1.70 -0.75 0.25 118.95 124.38 3hck s ARG 33 Ca -0.07 -1.55 0.05 0.00 -0.47 0.00 0.00 55.73 53.69 3hck s ARG 33 Cb -0.15 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 3hck s ARG 33 CO 0.05 -0.42 0.25 0.34 -1.08 0.00 0.00 175.30 174.45 3hck s ASP 34 N -3.13 5.88 0.89 -2.89 -1.08 -1.26 -0.95 116.67 114.15 3hck s ASP 34 Ca 0.35 -0.07 -0.10 0.00 -0.52 0.00 0.00 52.55 52.20 3hck s ASP 34 Cb 0.06 -1.62 0.13 0.00 -1.46 0.00 0.00 42.92 40.03 3hck s ASP 34 CO 0.10 -0.02 1.13 -0.55 0.52 0.00 0.00 175.17 176.36 3hck s SER 35 N -3.68 3.17 -0.15 -0.34 0.15 -0.42 -4.57 113.70 107.85 3hck s SER 35 Ca 0.33 2.10 0.06 0.00 0.70 0.00 0.00 55.95 59.14 3hck s SER 35 Cb -0.09 -2.55 -0.14 0.00 -1.71 0.00 0.00 66.02 61.54 3hck s SER 35 CO 0.26 -2.93 -0.06 -0.62 1.20 0.00 0.00 173.24 171.10 3hck n GLU 36 N -4.12 1.11 -0.08 5.44 1.02 -1.26 -4.69 120.64 118.06 3hck n GLU 36 Ca 0.11 0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 3hck n GLU 36 Cb 0.52 -1.34 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 3hck n GLU 36 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hck n THR 37 N -2.75 1.18 -1.90 2.62 -2.24 -1.26 -4.71 114.28 105.22 3hck n THR 37 Ca -0.26 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 3hck n THR 37 Cb 0.87 -1.88 -0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 -3.96 4.21 -1.15 4.28 -1.04 -1.26 -4.97 114.28 110.38 3hck n THR 38 Ca -0.29 -3.62 -0.35 0.00 -2.04 0.00 0.00 64.05 57.75 3hck n THR 38 Cb 0.64 -2.44 0.08 0.00 -1.82 0.00 0.00 70.33 66.80 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 4.15 0.18 0.00 -2.82 2.85 -1.26 -2.54 118.16 118.71 3hck n LYS 39 Ca 0.55 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 3hck n LYS 39 Cb 0.33 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.82 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 1.54 2.85 3.47 2.58 0.00 -1.26 -5.02 105.19 109.35 3hck n GLY 40 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.34 3.94 0.36 1.61 0.01 -1.05 -4.84 113.70 112.39 3hck s SER 41 Ca 0.00 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.05 3hck s SER 41 Cb 0.00 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 3hck s SER 41 CO 0.00 0.31 0.40 -0.31 0.41 0.00 0.00 173.24 174.05 3hck s TYR 42 N -0.81 2.92 -0.08 2.43 2.02 -1.02 -1.31 117.35 121.50 3hck s TYR 42 Ca 0.13 -0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3hck s TYR 42 Cb -0.11 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3hck s TYR 42 CO 0.03 -0.03 0.17 -1.12 -1.57 0.00 0.00 175.55 173.03 3hck s SER 43 N -4.13 -0.02 0.06 2.29 0.01 -0.12 -0.95 113.70 110.83 3hck s SER 43 Ca 0.46 0.35 0.01 0.00 1.31 0.00 0.00 55.95 58.07 3hck s SER 43 Cb -0.07 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 3hck s SER 43 CO 0.29 -0.17 0.16 -0.22 0.41 0.00 0.00 173.24 173.72 3hck s LEU 44 N 1.36 4.17 -0.05 2.44 2.96 0.49 -1.82 118.68 128.22 3hck s LEU 44 Ca -0.07 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3hck s LEU 44 Cb -0.11 -2.75 0.04 0.00 0.50 0.00 0.00 46.19 43.86 3hck s LEU 44 CO -0.06 0.18 0.10 -0.44 -1.32 0.00 0.00 176.35 174.81 3hck s SER 45 N -2.38 0.46 0.13 3.68 0.01 -0.15 -0.94 113.70 114.52 3hck s SER 45 Ca 0.32 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.82 3hck s SER 45 Cb -0.13 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 3hck s SER 45 CO 0.25 -0.19 -0.14 -0.69 0.41 0.00 0.00 173.24 172.88 3hck s VAL 46 N 1.67 1.36 0.03 3.43 1.01 0.17 -0.36 120.40 127.71 3hck s VAL 46 Ca -0.03 -1.80 -0.21 0.00 0.00 0.00 0.00 61.98 59.94 3hck s VAL 46 Cb -0.12 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 3hck s VAL 46 CO -0.04 -0.46 0.62 -0.60 0.00 0.00 0.00 175.10 174.61 3hck s ARG 47 N -2.87 4.33 0.08 2.72 3.52 -0.79 -0.02 118.95 125.91 3hck s ARG 47 Ca 0.11 0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 56.45 3hck s ARG 47 Cb -0.04 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3hck s ARG 47 CO 0.03 0.43 0.12 0.34 -0.81 0.00 0.00 175.30 175.41 3hck s ASP 48 N -0.43 0.24 0.13 -2.12 2.15 -0.26 -4.00 116.67 112.38 3hck s ASP 48 Ca 0.32 -0.76 0.03 0.00 0.43 0.00 0.00 52.55 52.56 3hck s ASP 48 Cb -0.19 0.29 -0.04 0.00 -0.30 0.00 0.00 42.92 42.68 3hck s ASP 48 CO 0.19 -0.68 -0.06 -0.47 -0.17 0.00 0.00 175.17 173.97 3hck s TYR 49 N -3.86 1.06 0.01 -5.34 6.14 -1.26 0.38 117.35 114.47 3hck s TYR 49 Ca 0.05 -0.89 0.01 0.00 0.64 0.00 0.00 57.07 56.89 3hck s TYR 49 Cb 0.06 -0.59 -0.01 0.00 0.42 0.00 0.00 41.96 41.84 3hck s TYR 49 CO -0.11 -0.10 -0.05 -0.51 0.64 0.00 0.00 175.55 175.43 3hck s ASP 50 N -3.10 0.51 0.00 4.32 1.01 0.24 -4.92 116.67 114.72 3hck s ASP 50 Ca 0.16 -0.24 0.24 0.00 0.71 0.00 0.00 52.55 53.41 3hck s ASP 50 Cb 0.05 -0.01 1.32 0.00 1.01 0.00 0.00 42.92 45.29 3hck s ASP 50 CO -0.02 -0.06 1.78 -0.81 0.21 0.00 0.00 175.17 176.27 3hck n PRO 51 N 2.43 0.58 -0.05 8.23 -0.04 -1.26 -0.97 135.00 143.93 3hck n PRO 51 Ca -0.17 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.25 3hck n PRO 51 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.11 0.36 -0.05 0.54 1.74 -1.26 -4.85 116.66 112.02 3hck n ARG 52 Ca 0.15 0.14 -0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3hck n ARG 52 Cb 0.12 -1.12 -0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3hck n ARG 52 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hck h GLN 53 N -0.66 -0.00 0.00 5.56 4.20 -1.98 -3.51 115.11 118.72 3hck h GLN 53 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hck h GLN 53 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3hck h GLN 53 CO -0.02 0.03 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 3hck n GLY 54 N 1.77 0.50 3.71 3.46 0.00 -0.14 -4.95 105.19 109.55 3hck n GLY 54 Ca -0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 0.22 1.61 1.01 -1.26 0.79 116.67 122.30 3hck s ASP 55 Ca 0.00 1.79 -0.06 0.00 0.71 0.00 0.00 52.55 54.99 3hck s ASP 55 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3hck s ASP 55 CO 0.00 -0.34 0.27 0.42 0.21 0.00 0.00 175.17 175.73 3hck s THR 56 N 1.02 0.00 -0.04 -1.27 -4.23 0.16 -4.92 115.64 106.36 3hck s THR 56 Ca 0.54 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3hck s THR 56 Cb -0.24 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3hck s THR 56 CO 0.28 -0.00 0.05 -0.69 -0.54 0.00 0.00 174.62 173.72 3hck s VAL 57 N -4.10 -0.02 0.26 2.29 1.01 -1.26 -1.10 120.40 117.48 3hck s VAL 57 Ca 0.32 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.57 3hck s VAL 57 Cb 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 3hck s VAL 57 CO 0.11 0.19 0.59 -0.54 0.00 0.00 0.00 175.10 175.44 3hck s LYS 58 N 2.05 3.80 -0.10 2.72 -0.14 0.97 -4.92 119.74 124.11 3hck s LYS 58 Ca 0.04 0.31 -0.03 0.00 -1.36 0.00 0.00 55.97 54.92 3hck s LYS 58 Cb -0.12 -2.60 0.05 0.00 -1.68 0.00 0.00 37.83 33.48 3hck s LYS 58 CO -0.03 0.26 0.13 -1.01 -0.76 0.00 0.00 175.35 173.94 3hck s HIS 59 N -1.91 -0.08 -0.16 3.18 3.76 -1.26 -0.65 115.29 118.17 3hck s HIS 59 Ca 0.48 0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 55.70 3hck s HIS 59 Cb -0.11 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 3hck s HIS 59 CO 0.22 -0.33 -0.07 0.71 -0.85 0.00 0.00 174.74 174.43 3hck s TYR 60 N 2.24 2.94 0.40 1.40 2.02 -0.11 -4.95 117.35 121.30 3hck s TYR 60 Ca 0.04 -0.55 -0.25 0.00 -0.37 0.00 0.00 57.07 55.95 3hck s TYR 60 Cb -0.13 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.39 3hck s TYR 60 CO -0.06 -0.21 1.12 -1.59 -1.57 0.00 0.00 175.55 173.24 3hck s LYS 61 N 0.61 4.08 -0.34 -0.62 -2.85 -1.26 -0.38 119.74 118.98 3hck s LYS 61 Ca -0.04 1.70 -0.00 0.00 -1.00 0.00 0.00 55.97 56.62 3hck s LYS 61 Cb -0.15 -2.61 0.08 0.00 -2.06 0.00 0.00 37.83 33.09 3hck s LYS 61 CO 0.03 -0.26 0.06 0.42 0.10 0.00 0.00 175.35 175.69 3hck s ILE 62 N -1.52 2.82 0.35 3.79 1.01 -0.13 -4.59 121.20 122.93 3hck s ILE 62 Ca 0.58 -1.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 3hck s ILE 62 Cb -0.27 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3hck s ILE 62 CO 0.34 -0.37 0.57 -0.13 0.00 0.00 0.00 174.94 175.35 3hck s ARG 63 N 1.12 3.51 0.19 2.79 1.81 -0.87 -2.44 118.95 125.07 3hck s ARG 63 Ca 0.02 -0.23 0.08 0.00 -1.72 0.00 0.00 55.73 53.88 3hck s ARG 63 Cb -0.20 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.62 3hck s ARG 63 CO -0.04 0.12 -0.04 0.95 -0.68 0.00 0.00 175.30 175.62 3hck s THR 64 N -2.33 3.48 0.10 0.02 -4.23 -1.26 -0.64 115.64 110.79 3hck s THR 64 Ca 0.41 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 59.29 3hck s THR 64 Cb -0.10 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3hck s THR 64 CO 0.36 -0.15 0.34 -0.76 -0.54 0.00 0.00 174.62 173.88 3hck s LEU 65 N -3.00 4.30 0.26 4.79 1.43 -0.76 -4.96 118.68 120.74 3hck s LEU 65 Ca 0.27 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 3hck s LEU 65 Cb -0.09 -3.13 0.50 0.00 0.03 0.00 0.00 46.19 43.50 3hck s LEU 65 CO 0.17 0.11 1.75 0.44 0.23 0.00 0.00 176.35 179.06 3hck h ASP 66 N 3.14 0.45 -2.02 2.29 5.19 -2.00 -3.15 116.42 120.31 3hck h ASP 66 Ca -0.47 0.10 -0.52 0.00 -0.62 0.00 0.00 57.03 55.51 3hck h ASP 66 Cb 1.17 0.03 -0.40 0.00 0.18 0.00 0.00 39.33 40.32 3hck h ASP 66 CO 0.71 0.18 -1.11 -0.46 -3.12 0.00 0.00 179.24 175.45 3hck n ASN 67 N -4.91 0.84 0.00 6.45 0.23 -1.26 -5.04 115.26 111.56 3hck n ASN 67 Ca 0.16 -2.92 0.00 0.00 -0.53 0.00 0.00 54.58 51.29 3hck n ASN 67 Cb 0.42 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 3hck n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hck n GLY 68 N 0.76 2.88 0.00 4.83 0.00 -1.19 -5.17 105.19 107.29 3hck n GLY 68 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 3.77 3.04 -0.02 0.00 -1.26 -4.81 105.19 105.92 3hck n GLY 69 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 2.71 1.10 0.03 1.61 0.40 0.88 -1.84 117.98 122.88 3hck s PHE 70 Ca 0.00 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 3hck s PHE 70 Cb 0.00 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 3hck s PHE 70 CO 0.00 -0.09 -0.06 1.52 0.70 0.00 0.00 175.22 177.29 3hck s TYR 71 N 0.04 0.55 -0.18 0.36 1.13 0.18 -2.13 117.35 117.30 3hck s TYR 71 Ca -0.01 -0.45 -0.05 0.00 -1.41 0.00 0.00 57.07 55.15 3hck s TYR 71 Cb -0.08 -0.34 -0.09 0.00 -1.10 0.00 0.00 41.96 40.35 3hck s TYR 71 CO 0.00 -0.09 -0.21 -0.89 -2.51 0.00 0.00 175.55 171.86 3hck n ILE 72 N 1.70 0.99 -4.53 -3.49 5.41 -1.26 -2.05 119.36 116.14 3hck n ILE 72 Ca -0.22 -0.30 -0.30 0.00 1.00 0.00 0.00 62.75 62.94 3hck n ILE 72 Cb 0.55 -1.52 -0.13 0.00 -0.71 0.00 0.00 39.64 37.84 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 -6.29 3.65 -0.74 4.38 0.15 -1.26 -4.93 113.70 108.65 3hck s SER 73 Ca -0.25 -0.55 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 3hck s SER 73 Cb 0.08 -0.47 -0.12 0.00 -1.71 0.00 0.00 66.02 63.80 3hck s SER 73 CO 0.35 0.22 2.62 -0.81 1.20 0.00 0.00 173.24 176.82 3hck n PRO 74 N 1.22 2.28 0.07 5.44 -0.04 -1.26 -3.63 135.00 139.07 3hck n PRO 74 Ca -0.16 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 3hck n PRO 74 Cb 0.52 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 3.42 0.00 -4.23 0.54 5.12 -1.26 -5.09 116.66 115.16 3hck n ARG 75 Ca 0.49 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 56.10 3hck n ARG 75 Cb 0.37 -0.01 -0.16 0.00 -1.16 0.00 0.00 32.46 31.50 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 -4.52 2.78 0.38 0.55 0.01 -1.24 -5.13 113.70 106.54 3hck s SER 76 Ca 0.00 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.81 3hck s SER 76 Cb 0.00 -1.26 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 3hck s SER 76 CO 0.00 -0.01 0.38 0.42 0.41 0.00 0.00 173.24 174.45 3hck s THR 77 N 1.24 3.19 -0.01 1.44 -4.23 -1.26 -4.62 115.64 111.38 3hck s THR 77 Ca 0.01 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 3hck s THR 77 Cb -0.14 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.60 3hck s THR 77 CO -0.08 -0.08 0.03 -0.36 -0.54 0.00 0.00 174.62 173.59 3hck s PHE 78 N -2.36 -0.02 0.26 3.99 0.40 -0.91 -5.03 117.98 114.31 3hck s PHE 78 Ca 0.46 0.08 0.09 0.00 -0.60 0.00 0.00 56.93 56.96 3hck s PHE 78 Cb -0.06 -0.02 0.31 0.00 0.51 0.00 0.00 43.02 43.77 3hck s PHE 78 CO 0.28 -0.02 1.59 0.77 0.70 0.00 0.00 175.22 178.54 3hck h SER 79 N 6.24 0.05 -4.32 1.36 0.02 -1.91 0.25 113.55 115.24 3hck h SER 79 Ca -0.27 -0.03 -0.45 0.00 -0.84 0.00 0.00 61.79 60.20 3hck h SER 79 Cb 1.20 -0.01 -0.21 0.00 0.14 0.00 0.00 62.40 63.51 3hck h SER 79 CO 0.49 0.67 -0.79 0.42 -1.14 0.00 0.00 176.83 176.49 3hck s THR 80 N -3.59 1.31 0.04 -2.27 -4.23 -1.26 -4.40 115.64 101.24 3hck s THR 80 Ca -0.02 -1.44 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 3hck s THR 80 Cb 0.12 -1.28 0.11 0.00 1.34 0.00 0.00 72.50 72.80 3hck s THR 80 CO 0.77 -0.22 1.63 -0.07 -0.54 0.00 0.00 174.62 176.19 3hck h LEU 81 N 4.10 0.00 -0.74 4.79 3.38 -1.93 -3.00 115.31 121.90 3hck h LEU 81 Ca -0.42 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 3hck h LEU 81 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3hck h LEU 81 CO 0.42 0.42 0.10 -0.61 0.09 0.00 0.00 178.44 178.86 3hck h GLN 82 N 0.00 1.06 0.00 1.13 -0.00 -1.99 0.20 115.11 115.51 3hck h GLN 82 Ca -0.00 -0.28 -0.07 0.00 -0.00 0.00 0.00 58.65 58.30 3hck h GLN 82 Cb 1.08 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 28.42 3hck h GLN 82 CO 0.05 0.97 -0.32 0.93 0.00 0.00 0.00 178.83 180.46 3hck h GLU 83 N 0.99 0.00 0.04 1.69 4.39 -1.96 -2.28 114.58 117.45 3hck h GLU 83 Ca 0.20 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.66 3hck h GLU 83 Cb 0.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3hck h GLU 83 CO 0.01 0.32 -1.17 1.25 -1.16 0.00 0.00 179.01 178.27 3hck h LEU 84 N 0.00 0.13 -0.59 1.33 6.46 -1.26 -1.56 115.31 119.82 3hck h LEU 84 Ca -0.00 -0.15 -0.14 0.00 -0.12 0.00 0.00 57.88 57.47 3hck h LEU 84 Cb 0.88 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 3hck h LEU 84 CO 0.04 1.12 -0.34 0.58 -0.62 0.00 0.00 178.44 179.22 3hck h VAL 85 N 0.02 1.28 -0.04 1.05 2.07 -0.38 -1.74 116.25 118.51 3hck h VAL 85 Ca -0.08 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.83 3hck h VAL 85 Cb 1.86 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 33.03 3hck h VAL 85 CO 0.14 0.49 -0.41 0.44 0.02 0.00 0.00 177.57 178.25 3hck h ASP 86 N 0.63 0.43 -1.01 0.57 3.32 -1.46 -2.13 116.42 116.78 3hck h ASP 86 Ca 0.06 -0.70 0.16 0.00 0.02 0.00 0.00 57.03 56.57 3hck h ASP 86 Cb 0.87 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 40.20 3hck h ASP 86 CO 0.08 1.07 0.62 -0.74 -1.72 0.00 0.00 179.24 178.55 3hck h HIS 87 N -0.17 1.11 0.00 4.55 2.76 -1.22 0.40 115.15 122.59 3hck h HIS 87 Ca -0.04 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 3hck h HIS 87 Cb 1.10 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 3hck h HIS 87 CO 0.14 0.34 -0.51 1.88 -1.30 0.00 0.00 177.93 178.49 3hck h TYR 88 N 0.88 0.00 0.00 5.26 -1.99 -1.29 -2.49 116.97 117.34 3hck h TYR 88 Ca 0.54 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.19 3hck h TYR 88 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 3hck h TYR 88 CO -0.00 0.51 -0.40 0.87 -0.00 0.00 0.00 178.16 179.14 3hck h LYS 89 N 0.00 0.00 0.00 4.88 1.57 0.39 -1.81 116.57 121.59 3hck h LYS 89 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3hck h LYS 89 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3hck h LYS 89 CO 0.07 0.40 -1.06 0.87 -0.57 0.00 0.00 179.45 179.15 3hck h LYS 90 N 0.00 0.00 0.00 3.15 1.57 -0.66 -3.43 116.57 117.20 3hck h LYS 90 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hck h LYS 90 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3hck h LYS 90 CO 0.05 0.90 0.00 0.41 -0.57 0.00 0.00 179.45 180.24 3hck n GLY 91 N 1.37 1.58 0.14 3.86 0.00 -0.96 -5.02 105.19 106.16 3hck n GLY 91 Ca -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 3hck n GLY 91 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hck h ASN 92 N 0.00 0.13 -7.08 1.61 -1.07 -1.82 -3.33 115.58 104.02 3hck h ASN 92 Ca 0.00 0.03 -0.61 0.00 0.07 0.00 0.00 56.30 55.79 3hck h ASN 92 Cb 0.00 0.02 -0.28 0.00 -2.07 0.00 0.00 38.32 35.99 3hck h ASN 92 CO 0.00 0.11 -0.93 -0.67 0.07 0.00 0.00 177.43 176.01 3hck n ASP 93 N -5.02 -0.61 0.00 6.14 2.03 -1.26 -2.60 116.55 115.23 3hck n ASP 93 Ca 0.00 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.08 3hck n ASP 93 Cb 0.11 -1.77 0.00 0.00 -0.72 0.00 0.00 41.12 38.74 3hck n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hck n GLY 94 N -1.82 3.03 2.90 0.27 0.00 -1.26 -5.02 105.19 103.28 3hck n GLY 94 Ca -0.11 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 3hck n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hck n LEU 95 N 0.00 0.00 -0.02 0.99 4.77 -1.07 -4.96 117.00 116.72 3hck n LEU 95 Ca 0.00 -0.89 -0.08 0.00 -0.03 0.00 0.00 56.01 55.02 3hck n LEU 95 Cb 0.00 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 40.09 3hck n LEU 95 CO 0.00 -2.35 -0.49 0.00 -1.33 0.00 0.00 177.39 173.22 3hck s GLN 97 N -2.63 0.22 0.98 0.00 -0.21 -1.26 -5.04 119.66 111.73 3hck s GLN 97 Ca -0.04 0.02 -0.12 0.00 0.02 0.00 0.00 55.36 55.24 3hck s GLN 97 Cb 0.08 0.10 0.18 0.00 1.00 0.00 0.00 33.01 34.37 3hck s GLN 97 CO 0.82 -0.04 1.08 -1.59 -2.12 0.00 0.00 175.29 173.45 3hck s LYS 98 N -0.30 0.57 0.04 2.91 -2.85 -1.26 -4.62 119.74 114.23 3hck s LYS 98 Ca -0.04 0.87 -0.20 0.00 -1.00 0.00 0.00 55.97 55.60 3hck s LYS 98 Cb -0.03 -1.73 -0.06 0.00 -2.06 0.00 0.00 37.83 33.96 3hck s LYS 98 CO 0.00 -2.73 0.60 -0.51 0.10 0.00 0.00 175.35 172.82 3hck s LEU 99 N -6.55 4.47 0.00 2.77 1.43 -0.71 -4.86 118.68 115.24 3hck s LEU 99 Ca 0.65 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 3hck s LEU 99 Cb -0.20 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.08 3hck s LEU 99 CO 0.59 0.18 0.00 -1.54 0.23 0.00 0.00 176.35 175.81 3hck n SER 100 N 2.24 0.00 -4.07 2.29 3.41 -0.55 -4.56 113.62 112.37 3hck n SER 100 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.41 3hck n SER 100 Cb 0.51 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.47 0.52 -3.33 -7.23 -1.22 -5.04 120.40 104.54 3hck s VAL 101 Ca 0.00 -1.25 -0.19 0.00 -1.81 0.00 0.00 61.98 58.73 3hck s VAL 101 Cb 0.00 -0.80 -0.07 0.00 0.56 0.00 0.00 36.38 36.07 3hck s VAL 101 CO 0.00 -0.53 1.04 -2.16 -0.31 0.00 0.00 175.10 173.14 3hck s PRO 102 N -2.11 3.66 0.57 4.82 0.04 -1.26 -2.51 135.00 138.21 3hck s PRO 102 Ca -0.06 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 3hck s PRO 102 Cb -0.06 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 3hck s PRO 102 CO -0.01 -0.54 0.01 0.00 0.04 0.00 0.00 177.00 176.50 3hck s MET 104 N -1.44 3.36 -1.01 0.00 1.00 -1.26 -4.76 119.30 115.19 3hck s MET 104 Ca 0.59 0.59 -0.23 0.00 0.00 0.00 0.00 55.69 56.63 3hck s MET 104 Cb -0.45 -2.10 -0.00 0.00 0.00 0.00 0.00 34.83 32.28 3hck s MET 104 CO 0.64 -0.67 1.72 0.45 0.00 0.00 0.00 175.02 177.16 3hck s SER 105 N -4.23 5.84 -0.16 3.03 0.15 -1.26 -4.93 113.70 112.13 3hck s SER 105 Ca 0.55 -1.22 -0.03 0.00 0.70 0.00 0.00 55.95 55.95 3hck s SER 105 Cb -0.11 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 3hck s SER 105 CO 0.52 -2.13 -0.07 -0.44 1.20 0.00 0.00 173.24 172.32 3hck s SER 106 N 6.33 4.48 0.00 5.45 0.01 -1.26 -5.26 113.70 123.44 3hck s SER 106 Ca 0.59 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.62 3hck s SER 106 Cb -0.03 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.48 3hck s SER 106 CO -0.03 0.14 0.00 2.29 0.41 0.00 0.00 173.24 176.05