#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 s TYR 2 N 0.00 1.31 -0.22 2.03 1.51 -1.26 -4.66 117.35 116.06 3df4 s TYR 2 Ca 0.00 -0.57 -0.29 0.00 -1.01 0.00 0.00 57.07 55.21 3df4 s TYR 2 Cb 0.00 -0.69 0.15 0.00 -0.11 0.00 0.00 41.96 41.30 3df4 s TYR 2 CO 0.00 0.10 1.12 0.00 -1.11 0.00 0.00 175.55 175.67 3df4 s ALA 3 N -2.12 -2.01 0.07 3.71 0.00 -0.45 -3.98 121.76 116.99 3df4 s ALA 3 Ca 0.07 1.71 -0.09 0.00 0.00 0.00 0.00 51.96 53.65 3df4 s ALA 3 Cb -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.96 3df4 s ALA 3 CO 0.02 -0.26 0.19 0.14 0.00 0.00 0.00 175.76 175.86 3df4 s VAL 4 N -0.76 0.13 0.00 0.00 -7.23 -1.24 -1.29 120.40 110.01 3df4 s VAL 4 Ca 0.02 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3df4 s VAL 4 Cb -0.02 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.72 3df4 s VAL 4 CO -0.03 -0.60 0.00 2.22 -0.31 0.00 0.00 175.10 176.38 3df4 n PHE 5 N 0.17 0.00 -2.91 2.82 -1.74 -1.26 -3.34 117.46 111.20 3df4 n PHE 5 Ca -0.16 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.29 3df4 n PHE 5 Cb 0.61 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.58 3df4 n PHE 5 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 3df4 s GLN 6 N -2.00 3.23 0.00 3.97 2.00 -1.26 -3.51 119.66 122.10 3df4 s GLN 6 Ca 0.00 -1.15 0.00 0.00 -2.00 0.00 0.00 55.36 52.21 3df4 s GLN 6 Cb 0.00 -4.42 0.00 0.00 0.80 0.00 0.00 33.01 29.39 3df4 s GLN 6 CO 0.00 -1.77 0.00 -1.13 -0.50 0.00 0.00 175.29 171.89 3df4 n SER 7 N 7.20 0.00 0.05 6.67 3.41 0.24 -4.78 113.62 126.41 3df4 n SER 7 Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.43 3df4 n SER 7 Cb 0.46 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 3df4 n SER 7 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3df4 h GLY 8 N 0.00 0.63 0.00 5.00 0.00 -1.89 -3.43 103.07 103.38 3df4 h GLY 8 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 47.33 46.09 3df4 h GLY 8 CO 0.00 1.09 0.00 0.61 0.00 0.00 0.00 176.54 178.24 3df4 n GLY 9 N 1.26 0.88 2.21 4.60 0.00 -1.26 -4.80 105.19 108.08 3df4 n GLY 9 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3df4 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 10 N 0.00 1.20 -4.07 1.61 4.01 -1.26 -5.07 118.16 114.59 3df4 n LYS 10 Ca 0.00 -2.19 -0.23 0.00 -0.51 0.00 0.00 58.31 55.38 3df4 n LYS 10 Cb 0.12 0.51 -0.06 0.00 -0.51 0.00 0.00 35.03 35.09 3df4 n LYS 10 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3df4 s GLN 11 N -3.16 2.34 -0.19 1.97 -0.21 -1.25 0.81 119.66 119.98 3df4 s GLN 11 Ca 0.04 -1.63 -0.08 0.00 0.02 0.00 0.00 55.36 53.72 3df4 s GLN 11 Cb -0.00 -2.14 0.08 0.00 1.00 0.00 0.00 33.01 31.95 3df4 s GLN 11 CO 0.03 0.03 0.42 -1.01 -2.12 0.00 0.00 175.29 172.63 3df4 s HIS 12 N -2.48 -0.73 -1.28 0.91 3.76 -1.23 -4.87 115.29 109.37 3df4 s HIS 12 Ca 0.39 1.45 -0.17 0.00 -0.15 0.00 0.00 55.06 56.58 3df4 s HIS 12 Cb -0.01 0.29 0.10 0.00 1.11 0.00 0.00 32.58 34.07 3df4 s HIS 12 CO 0.23 -0.44 1.67 -2.13 -0.85 0.00 0.00 174.74 173.23 3df4 n ARG 13 N 5.03 3.24 -2.31 1.40 0.63 -1.23 -3.61 116.66 119.81 3df4 n ARG 13 Ca -0.13 -3.42 -0.13 0.00 -0.92 0.00 0.00 57.85 53.25 3df4 n ARG 13 Cb 0.51 -3.36 0.04 0.00 0.45 0.00 0.00 32.46 30.10 3df4 n ARG 13 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3df4 n VAL 14 N 5.83 0.00 -3.64 5.15 3.14 -0.42 -4.81 118.33 123.58 3df4 n VAL 14 Ca 0.46 -1.22 -0.04 0.00 -2.96 0.00 0.00 64.34 60.58 3df4 n VAL 14 Cb 0.45 -0.64 -0.07 0.00 -1.06 0.00 0.00 33.84 32.52 3df4 n VAL 14 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3df4 s SER 15 N -3.21 -0.51 -0.39 6.55 1.04 -1.26 -1.33 113.70 114.59 3df4 s SER 15 Ca 0.36 0.84 -0.36 0.00 0.48 0.00 0.00 55.95 57.27 3df4 s SER 15 Cb -0.03 1.14 -0.15 0.00 0.10 0.00 0.00 66.02 67.08 3df4 s SER 15 CO 0.23 -0.14 1.41 -1.84 0.98 0.00 0.00 173.24 173.88 3df4 n GLU 16 N 3.42 0.00 0.00 4.02 0.28 -1.25 -1.90 120.64 125.20 3df4 n GLU 16 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 3df4 n GLU 16 Cb 0.57 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.28 3df4 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3df4 n GLY 17 N 4.16 3.72 3.62 -1.84 0.00 0.37 -4.91 105.19 110.31 3df4 n GLY 17 Ca 0.31 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3df4 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3df4 s GLN 18 N 0.00 3.99 0.28 1.61 -2.07 -0.80 -4.96 119.66 117.71 3df4 s GLN 18 Ca 0.00 0.70 -0.29 0.00 -1.82 0.00 0.00 55.36 53.95 3df4 s GLN 18 Cb 0.00 -3.73 -0.09 0.00 -1.09 0.00 0.00 33.01 28.10 3df4 s GLN 18 CO 0.00 -0.71 1.02 0.95 -1.32 0.00 0.00 175.29 175.23 3df4 s THR 19 N 3.08 3.77 0.43 3.63 -4.23 -1.25 -4.59 115.64 116.48 3df4 s THR 19 Ca 0.35 1.73 0.03 0.00 -1.18 0.00 0.00 61.69 62.62 3df4 s THR 19 Cb -0.14 -4.08 -0.01 0.00 1.34 0.00 0.00 72.50 69.61 3df4 s THR 19 CO 0.13 0.37 0.11 0.52 -0.54 0.00 0.00 174.62 175.21 3df4 n VAL 20 N 1.16 0.00 -3.93 2.29 0.31 -1.20 -4.96 118.33 112.00 3df4 n VAL 20 Ca -0.01 -2.38 -0.10 0.00 -0.01 0.00 0.00 64.34 61.84 3df4 n VAL 20 Cb 0.46 0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 34.06 3df4 n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df4 s ARG 21 N -3.62 0.50 0.36 5.55 1.70 -1.26 -1.21 118.95 120.97 3df4 s ARG 21 Ca 0.16 -0.64 -0.06 0.00 -0.47 0.00 0.00 55.73 54.72 3df4 s ARG 21 Cb 0.01 0.20 0.03 0.00 -0.57 0.00 0.00 34.95 34.61 3df4 s ARG 21 CO 0.11 -0.12 0.58 1.47 -1.08 0.00 0.00 175.30 176.27 3df4 n LEU 22 N 1.12 0.00 -4.66 -1.89 -0.00 -0.69 -4.92 117.00 105.97 3df4 n LEU 22 Ca -0.21 -2.68 -0.46 0.00 -0.00 0.00 0.00 56.01 52.66 3df4 n LEU 22 Cb 0.57 2.93 -0.04 0.00 -0.00 0.00 0.00 43.42 46.88 3df4 n LEU 22 CO 0.22 -0.71 1.06 -0.62 -0.00 0.00 0.00 177.39 177.34 3df4 n GLU 23 N -0.55 1.94 -0.96 1.47 -0.58 -1.26 -1.69 120.64 119.00 3df4 n GLU 23 Ca -0.03 0.69 -0.26 0.00 -0.42 0.00 0.00 57.16 57.14 3df4 n GLU 23 Cb 0.57 -2.39 -0.10 0.00 -0.57 0.00 0.00 31.44 28.96 3df4 n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3df4 n LYS 24 N 2.66 0.00 -3.17 3.49 4.81 -1.26 -4.64 118.16 120.05 3df4 n LYS 24 Ca 0.15 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.20 3df4 n LYS 24 Cb 0.29 -0.96 -0.06 0.00 0.02 0.00 0.00 35.03 34.32 3df4 n LYS 24 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3df4 s LEU 25 N 5.78 4.46 -1.16 3.14 2.01 -1.26 -4.95 118.68 126.69 3df4 s LEU 25 Ca 0.87 1.26 -0.15 0.00 0.01 0.00 0.00 54.13 56.12 3df4 s LEU 25 Cb -0.81 -2.99 -0.06 0.00 0.01 0.00 0.00 46.19 42.34 3df4 s LEU 25 CO 0.31 0.14 2.19 -0.67 1.01 0.00 0.00 176.35 179.34 3df4 n ASP 26 N 2.42 4.11 -4.26 2.29 -0.08 -1.26 -4.86 116.55 114.90 3df4 n ASP 26 Ca -0.07 -2.68 -0.24 0.00 -1.51 0.00 0.00 54.79 50.29 3df4 n ASP 26 Cb 0.51 -1.38 -0.13 0.00 2.34 0.00 0.00 41.12 42.46 3df4 n ASP 26 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3df4 s ILE 27 N 3.75 1.65 0.65 5.18 -1.09 -1.26 -5.12 121.20 124.96 3df4 s ILE 27 Ca 0.53 -1.41 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 3df4 s ILE 27 Cb 0.14 -1.48 -0.11 0.00 -1.58 0.00 0.00 42.46 39.43 3df4 s ILE 27 CO -0.00 0.01 0.05 0.00 -1.23 0.00 0.00 174.94 173.77 3df4 n ALA 28 N 1.35 -2.72 -0.25 9.38 0.00 -1.26 -4.80 120.51 122.21 3df4 n ALA 28 Ca -0.19 -0.19 0.20 0.00 0.00 0.00 0.00 53.44 53.26 3df4 n ALA 28 Cb 0.54 -1.55 0.52 0.00 0.00 0.00 0.00 19.45 18.96 3df4 n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3df4 h THR 29 N -0.22 0.65 -2.41 0.00 2.02 -1.99 -3.29 112.91 107.68 3df4 h THR 29 Ca -0.43 -0.13 -0.57 0.00 0.77 0.00 0.00 66.41 66.05 3df4 h THR 29 Cb 1.39 0.24 -0.38 0.00 -1.74 0.00 0.00 68.15 67.66 3df4 h THR 29 CO 0.40 0.07 -0.90 -0.83 0.37 0.00 0.00 175.52 174.63 3df4 s GLY 30 N -3.85 0.94 0.13 2.16 0.00 -1.26 -2.51 107.32 102.93 3df4 s GLY 30 Ca -0.08 -2.09 -0.01 0.00 0.00 0.00 0.00 44.72 42.54 3df4 s GLY 30 CO 0.78 2.17 0.06 1.85 0.00 0.00 0.00 173.10 177.97 3df4 s GLU 31 N 0.57 0.93 -0.20 2.90 -6.30 -1.24 -4.97 118.70 110.39 3df4 s GLU 31 Ca 0.26 -1.43 -0.09 0.00 -2.50 0.00 0.00 54.97 51.20 3df4 s GLU 31 Cb -0.08 0.24 -0.05 0.00 0.00 0.00 0.00 34.13 34.24 3df4 s GLU 31 CO -0.10 -0.26 0.12 0.99 0.02 0.00 0.00 175.26 176.03 3df4 s THR 32 N -4.04 5.25 0.15 -1.70 2.01 -1.26 -1.02 115.64 115.03 3df4 s THR 32 Ca 0.24 0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.46 3df4 s THR 32 Cb 0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3df4 s THR 32 CO 0.02 0.44 -0.11 0.68 -0.69 0.00 0.00 174.62 174.95 3df4 s VAL 33 N 0.43 3.18 -0.18 3.82 -7.23 0.36 -4.94 120.40 115.85 3df4 s VAL 33 Ca 0.07 -1.54 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3df4 s VAL 33 Cb -0.12 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.33 3df4 s VAL 33 CO -0.01 -0.02 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.09 3df4 s GLU 34 N -2.57 1.51 -0.49 4.82 0.41 -1.25 0.41 118.70 121.54 3df4 s GLU 34 Ca 0.23 -0.60 -0.23 0.00 -0.41 0.00 0.00 54.97 53.95 3df4 s GLU 34 Cb -0.10 -2.12 0.03 0.00 -1.78 0.00 0.00 34.13 30.16 3df4 s GLU 34 CO 0.14 -0.45 0.82 -0.06 -0.49 0.00 0.00 175.26 175.22 3df4 s PHE 35 N 1.58 2.94 -0.26 1.61 0.08 0.08 -4.85 117.98 119.16 3df4 s PHE 35 Ca -0.00 0.05 0.22 0.00 0.12 0.00 0.00 56.93 57.32 3df4 s PHE 35 Cb -0.16 -3.78 0.05 0.00 -0.57 0.00 0.00 43.02 38.56 3df4 s PHE 35 CO -0.08 -1.10 1.13 0.00 -0.10 0.00 0.00 175.22 175.07 3df4 h ALA 36 N 9.08 0.58 0.00 5.36 0.00 -1.88 -2.08 119.26 130.33 3df4 h ALA 36 Ca -0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3df4 h ALA 36 Cb 1.08 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3df4 h ALA 36 CO 1.00 0.03 -0.13 -0.85 0.00 0.00 0.00 179.25 179.30 3df4 n GLU 37 N -2.76 1.29 -3.03 0.00 -0.00 -1.26 -4.79 120.64 110.10 3df4 n GLU 37 Ca 0.00 -0.46 -0.41 0.00 -0.00 0.00 0.00 57.16 56.30 3df4 n GLU 37 Cb 0.56 -1.54 -0.05 0.00 -0.00 0.00 0.00 31.44 30.40 3df4 n GLU 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3df4 s VAL 38 N 0.89 4.96 -0.31 3.84 0.11 -1.25 -4.17 120.40 124.46 3df4 s VAL 38 Ca 0.31 1.35 0.07 0.00 -2.93 0.00 0.00 61.98 60.78 3df4 s VAL 38 Cb 0.15 -4.02 0.46 0.00 -1.53 0.00 0.00 36.38 31.44 3df4 s VAL 38 CO 0.00 0.06 1.36 0.00 -3.33 0.00 0.00 175.10 173.19 3df4 n LEU 39 N 5.23 4.48 -3.64 2.54 -0.00 -1.21 -1.22 117.00 123.17 3df4 n LEU 39 Ca 0.01 -4.25 -0.06 0.00 -0.00 0.00 0.00 56.01 51.71 3df4 n LEU 39 Cb 0.49 -0.53 -0.07 0.00 -0.00 0.00 0.00 43.42 43.31 3df4 n LEU 39 CO 0.45 1.66 0.85 -0.32 -0.00 0.00 0.00 177.39 180.03 3df4 s MET 40 N -3.45 0.36 -0.02 1.47 1.75 -1.26 -4.22 119.30 113.93 3df4 s MET 40 Ca 0.48 0.45 -0.02 0.00 -1.25 0.00 0.00 55.69 55.34 3df4 s MET 40 Cb 0.41 0.16 0.01 0.00 2.84 0.00 0.00 34.83 38.25 3df4 s MET 40 CO -0.00 -0.05 0.07 0.42 -0.65 0.00 0.00 175.02 174.81 3df4 s ILE 41 N 0.32 0.01 0.00 10.11 -1.09 -1.22 -3.92 121.20 125.41 3df4 s ILE 41 Ca 0.03 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 3df4 s ILE 41 Cb -0.05 -0.12 0.00 0.00 -1.58 0.00 0.00 42.46 40.71 3df4 s ILE 41 CO -0.10 -0.03 0.00 0.00 -1.23 0.00 0.00 174.94 173.58 3df4 n ALA 42 N 2.94 0.00 -0.62 9.38 0.00 -1.26 -0.53 120.51 130.43 3df4 n ALA 42 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.39 3df4 n ALA 42 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 3df4 n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3df4 n ASN 43 N 0.00 -3.73 0.02 0.00 6.94 -1.26 -3.01 115.26 114.22 3df4 n ASN 43 Ca 0.00 0.42 0.22 0.00 -0.02 0.00 0.00 54.58 55.21 3df4 n ASN 43 Cb 0.00 -1.99 0.71 0.00 -2.36 0.00 0.00 39.78 36.13 3df4 n ASN 43 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3df4 h GLY 44 N -0.59 0.00 -6.80 4.83 0.00 -2.07 -3.19 103.07 95.26 3df4 h GLY 44 Ca -0.03 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.69 3df4 h GLY 44 CO 0.02 0.00 -0.77 -1.83 0.00 0.00 0.00 176.54 173.96 3df4 s GLU 45 N -4.63 1.52 0.20 4.80 1.03 -1.26 -5.11 118.70 115.25 3df4 s GLU 45 Ca -0.04 -2.46 -0.20 0.00 0.03 0.00 0.00 54.97 52.30 3df4 s GLU 45 Cb 0.16 -2.35 -0.13 0.00 -0.80 0.00 0.00 34.13 31.01 3df4 s GLU 45 CO 0.56 -1.28 0.30 -0.85 -1.33 0.00 0.00 175.26 172.66 3df4 n GLU 46 N 2.80 0.00 -3.60 -4.83 0.28 -1.16 -4.89 120.64 109.24 3df4 n GLU 46 Ca 0.20 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.82 3df4 n GLU 46 Cb 0.39 -0.76 -0.06 0.00 1.43 0.00 0.00 31.44 32.44 3df4 n GLU 46 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3df4 s VAL 47 N -0.92 4.53 -1.06 3.84 1.01 0.31 -4.95 120.40 123.16 3df4 s VAL 47 Ca 0.48 -3.66 -0.10 0.00 0.00 0.00 0.00 61.98 58.69 3df4 s VAL 47 Cb -0.64 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 3df4 s VAL 47 CO 0.44 -1.07 2.24 2.29 0.00 0.00 0.00 175.10 179.00 3df4 n LYS 48 N 2.56 2.34 -0.15 2.72 2.85 -1.26 -3.38 118.16 123.85 3df4 n LYS 48 Ca 0.20 -1.75 -0.05 0.00 -1.05 0.00 0.00 58.31 55.65 3df4 n LYS 48 Cb 0.38 -2.66 -0.01 0.00 -0.65 0.00 0.00 35.03 32.09 3df4 n LYS 48 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 3df4 n ILE 49 N 4.48 0.10 0.00 0.58 -6.64 -1.26 -4.95 119.36 111.67 3df4 n ILE 49 Ca 0.52 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 61.48 3df4 n ILE 49 Cb 0.22 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.42 3df4 n ILE 49 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3df4 n GLY 50 N 0.18 0.67 3.65 3.28 0.00 -1.26 -4.83 105.19 106.87 3df4 n GLY 50 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3df4 n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df4 s VAL 51 N -0.03 2.10 -0.48 1.61 -7.23 -1.26 -4.73 120.40 110.38 3df4 s VAL 51 Ca 0.00 0.03 -0.46 0.00 -1.81 0.00 0.00 61.98 59.74 3df4 s VAL 51 Cb 0.00 -2.07 -0.19 0.00 0.56 0.00 0.00 36.38 34.67 3df4 s VAL 51 CO 0.00 -0.04 1.68 -2.65 -0.31 0.00 0.00 175.10 173.78 3df4 n PRO 52 N -4.33 0.12 -0.17 4.82 -0.02 -1.26 -4.51 135.00 129.65 3df4 n PRO 52 Ca 0.10 0.04 0.02 0.00 -2.02 0.00 0.00 63.50 61.65 3df4 n PRO 52 Cb 0.52 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 3df4 n PRO 52 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3df4 n PHE 53 N 4.59 -1.91 -4.10 6.00 3.72 -1.26 -4.87 117.46 119.63 3df4 n PHE 53 Ca 0.33 0.21 -0.29 0.00 -0.05 0.00 0.00 57.45 57.66 3df4 n PHE 53 Cb -0.04 -0.23 -0.07 0.00 -0.94 0.00 0.00 39.48 38.21 3df4 n PHE 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3df4 s VAL 54 N -0.32 4.26 0.34 -4.37 0.11 -0.36 -4.38 120.40 115.69 3df4 s VAL 54 Ca 0.00 -1.02 0.18 0.00 -2.93 0.00 0.00 61.98 58.21 3df4 s VAL 54 Cb 0.00 -3.10 0.34 0.00 -1.53 0.00 0.00 36.38 32.09 3df4 s VAL 54 CO 0.00 0.02 1.48 -0.90 -3.33 0.00 0.00 175.10 172.37 3df4 n ASP 55 N 0.16 0.29 0.00 3.54 5.68 -1.26 -4.59 116.55 120.36 3df4 n ASP 55 Ca -0.09 1.56 0.00 0.00 -0.50 0.00 0.00 54.79 55.76 3df4 n ASP 55 Cb 0.53 -0.74 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 3df4 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3df4 n GLY 56 N -1.27 3.46 1.40 6.12 0.00 -1.26 -5.15 105.19 108.49 3df4 n GLY 56 Ca 0.34 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3df4 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 57 N 2.10 -3.82 3.65 -0.02 0.00 -1.19 -4.81 105.19 101.10 3df4 n GLY 57 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 3df4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 s VAL 58 N -5.04 0.00 -0.21 1.61 0.11 -1.25 -4.64 120.40 110.97 3df4 s VAL 58 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 3df4 s VAL 58 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3df4 s VAL 58 CO 0.00 0.00 0.19 -0.63 -3.33 0.00 0.00 175.10 171.33 3df4 s ILE 59 N -0.21 5.36 -0.69 7.04 1.09 -0.78 -2.24 121.20 130.77 3df4 s ILE 59 Ca 0.08 0.28 -0.12 0.00 -1.10 0.00 0.00 60.65 59.78 3df4 s ILE 59 Cb -0.04 -3.52 0.18 0.00 -1.06 0.00 0.00 42.46 38.01 3df4 s ILE 59 CO -0.14 0.38 0.61 -0.75 -0.10 0.00 0.00 174.94 174.95 3df4 s LYS 60 N 0.73 3.19 0.31 2.79 2.20 -1.26 -0.74 119.74 126.96 3df4 s LYS 60 Ca 0.10 -2.23 0.07 0.00 -0.36 0.00 0.00 55.97 53.55 3df4 s LYS 60 Cb -0.13 -4.24 -0.02 0.00 -1.51 0.00 0.00 37.83 31.93 3df4 s LYS 60 CO 0.02 -1.27 0.37 0.00 -0.36 0.00 0.00 175.35 174.11 3df4 s ALA 61 N 0.58 4.00 -0.16 3.13 0.00 0.16 0.44 121.76 129.92 3df4 s ALA 61 Ca 0.13 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3df4 s ALA 61 Cb -0.18 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3df4 s ALA 61 CO -0.05 0.06 -0.18 -2.00 0.00 0.00 0.00 175.76 173.59 3df4 s GLU 62 N -4.05 2.77 -0.34 0.00 2.56 -1.26 0.14 118.70 118.51 3df4 s GLU 62 Ca 0.41 -0.75 -0.28 0.00 0.00 0.00 0.00 54.97 54.35 3df4 s GLU 62 Cb -0.08 -2.38 -0.04 0.00 2.00 0.00 0.00 34.13 33.63 3df4 s GLU 62 CO 0.29 -0.18 2.02 0.14 -0.56 0.00 0.00 175.26 176.97 3df4 s VAL 63 N 1.25 3.25 -1.18 3.70 -7.23 -0.19 -1.33 120.40 118.68 3df4 s VAL 63 Ca 0.02 0.24 -0.09 0.00 -1.81 0.00 0.00 61.98 60.34 3df4 s VAL 63 Cb -0.13 -3.38 0.23 0.00 0.56 0.00 0.00 36.38 33.65 3df4 s VAL 63 CO -0.10 -0.27 1.51 0.52 -0.31 0.00 0.00 175.10 176.45 3df4 n VAL 64 N 7.59 4.63 -0.87 1.32 0.31 -1.22 -3.98 118.33 126.10 3df4 n VAL 64 Ca 0.27 -5.08 0.04 0.00 -0.01 0.00 0.00 64.34 59.56 3df4 n VAL 64 Cb 0.48 -2.36 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 3df4 n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df4 n ALA 65 N 3.41 -1.65 -2.22 3.52 0.00 -1.05 -4.49 120.51 118.04 3df4 n ALA 65 Ca 0.32 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.92 3df4 n ALA 65 Cb 0.38 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.84 3df4 n ALA 65 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3df4 s HIS 66 N -4.41 1.91 0.00 0.00 3.76 -1.26 -2.94 115.29 112.35 3df4 s HIS 66 Ca 0.00 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 3df4 s HIS 66 Cb 0.00 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3df4 s HIS 66 CO 0.00 -0.59 0.00 0.41 -0.85 0.00 0.00 174.74 173.71 3df4 n GLY 67 N -1.86 0.59 3.16 -2.22 0.00 -0.13 -4.98 105.19 99.75 3df4 n GLY 67 Ca 0.05 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 3df4 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3df4 s ARG 68 N -0.42 0.30 1.18 1.61 0.52 -1.26 -1.53 118.95 119.36 3df4 s ARG 68 Ca 0.00 0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 55.66 3df4 s ARG 68 Cb 0.00 -0.03 0.22 0.00 0.52 0.00 0.00 34.95 35.65 3df4 s ARG 68 CO 0.00 -0.14 0.49 0.41 0.02 0.00 0.00 175.30 176.08 3df4 n GLY 69 N 4.02 -2.50 0.00 -3.53 0.00 0.16 -4.97 105.19 98.37 3df4 n GLY 69 Ca -0.23 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3df4 n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3df4 n GLU 70 N -3.57 0.52 -3.59 1.61 -0.00 -1.26 -4.67 120.64 109.67 3df4 n GLU 70 Ca 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.81 3df4 n GLU 70 Cb 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.92 3df4 n GLU 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3df4 s LYS 71 N -0.84 4.08 -0.20 3.44 2.47 -1.26 -4.35 119.74 123.08 3df4 s LYS 71 Ca 0.00 -0.17 -0.08 0.00 -1.56 0.00 0.00 55.97 54.16 3df4 s LYS 71 Cb 0.00 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 3df4 s LYS 71 CO 0.00 0.01 0.09 0.08 0.16 0.00 0.00 175.35 175.69 3df4 s VAL 72 N 1.19 4.93 -0.29 4.02 1.01 0.08 -4.94 120.40 126.40 3df4 s VAL 72 Ca 0.10 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 3df4 s VAL 72 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3df4 s VAL 72 CO 0.06 0.42 0.52 -0.54 0.00 0.00 0.00 175.10 175.56 3df4 s LYS 73 N 0.62 3.94 -0.35 2.72 -0.14 -1.26 -1.33 119.74 123.94 3df4 s LYS 73 Ca 0.05 0.19 0.02 0.00 -1.36 0.00 0.00 55.97 54.87 3df4 s LYS 73 Cb -0.13 -3.70 0.10 0.00 -1.68 0.00 0.00 37.83 32.42 3df4 s LYS 73 CO 0.01 -0.44 0.07 0.42 -0.76 0.00 0.00 175.35 174.65 3df4 s ILE 74 N 2.36 2.53 0.02 2.17 1.01 0.11 -5.00 121.20 124.39 3df4 s ILE 74 Ca 0.21 -2.21 0.02 0.00 0.00 0.00 0.00 60.65 58.67 3df4 s ILE 74 Cb -0.15 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3df4 s ILE 74 CO 0.10 -0.57 0.02 -0.69 0.00 0.00 0.00 174.94 173.80 3df4 s VAL 75 N 0.98 4.24 -0.20 2.92 1.01 -1.26 0.37 120.40 128.46 3df4 s VAL 75 Ca 0.09 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3df4 s VAL 75 Cb -0.20 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.30 3df4 s VAL 75 CO -0.07 0.30 -0.01 -0.54 0.00 0.00 0.00 175.10 174.78 3df4 s LYS 76 N -1.81 1.09 -0.11 2.72 3.01 0.34 -4.98 119.74 119.98 3df4 s LYS 76 Ca 0.22 -0.62 0.01 0.00 -1.01 0.00 0.00 55.97 54.57 3df4 s LYS 76 Cb -0.12 -2.25 0.02 0.00 -1.01 0.00 0.00 37.83 34.47 3df4 s LYS 76 CO 0.14 -0.59 -0.15 0.12 0.51 0.00 0.00 175.35 175.37 3df4 s PHE 77 N 1.67 1.97 -0.48 3.18 2.19 -1.26 -1.10 117.98 124.15 3df4 s PHE 77 Ca -0.02 -0.96 0.04 0.00 0.33 0.00 0.00 56.93 56.32 3df4 s PHE 77 Cb -0.17 -1.44 0.13 0.00 -1.31 0.00 0.00 43.02 40.23 3df4 s PHE 77 CO -0.07 -0.50 0.22 0.50 1.83 0.00 0.00 175.22 177.20 3df4 s ARG 78 N 1.08 1.83 0.78 10.12 3.52 -0.78 -5.05 118.95 130.45 3df4 s ARG 78 Ca -0.05 -2.44 -0.15 0.00 -0.13 0.00 0.00 55.73 52.96 3df4 s ARG 78 Cb -0.14 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 3df4 s ARG 78 CO -0.03 -1.08 0.46 2.89 -0.81 0.00 0.00 175.30 176.73 3df4 n ARG 79 N 3.34 0.16 -1.44 5.12 1.85 -1.26 -2.86 116.66 121.57 3df4 n ARG 79 Ca 0.05 0.10 -0.16 0.00 -1.00 0.00 0.00 57.85 56.84 3df4 n ARG 79 Cb 0.34 -1.81 -0.07 0.00 -1.05 0.00 0.00 32.46 29.87 3df4 n ARG 79 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3df4 n ARG 80 N -0.85 -1.38 0.00 2.89 1.74 -1.26 -4.82 116.66 112.98 3df4 n ARG 80 Ca 0.09 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 3df4 n ARG 80 Cb 0.51 -5.22 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 3df4 n ARG 80 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3df4 n LYS 81 N -1.96 0.00 -2.38 5.56 4.76 -1.13 -5.09 118.16 117.91 3df4 n LYS 81 Ca -0.16 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.26 3df4 n LYS 81 Cb 0.52 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.78 3df4 n LYS 81 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3df4 n HIS 82 N 0.00 -1.29 -3.95 2.13 -0.00 -1.26 -5.10 115.22 105.75 3df4 n HIS 82 Ca 0.00 -1.13 -0.33 0.00 0.46 0.00 0.00 57.72 56.72 3df4 n HIS 82 Cb 0.00 1.24 -0.14 0.00 -0.12 0.00 0.00 29.99 30.97 3df4 n HIS 82 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 3df4 s TYR 83 N 0.09 3.58 -0.04 1.57 6.04 -1.26 -5.06 117.35 122.27 3df4 s TYR 83 Ca 0.08 -2.60 0.07 0.00 0.04 0.00 0.00 57.07 54.66 3df4 s TYR 83 Cb 0.25 -2.76 -0.01 0.00 -1.04 0.00 0.00 41.96 38.39 3df4 s TYR 83 CO -0.07 -0.93 -0.25 0.50 -1.54 0.00 0.00 175.55 173.27 3df4 s ARG 84 N 1.04 2.33 -0.29 4.97 3.52 -1.26 -1.86 118.95 127.40 3df4 s ARG 84 Ca 0.05 -0.91 -0.13 0.00 -0.13 0.00 0.00 55.73 54.62 3df4 s ARG 84 Cb -0.20 -2.09 0.13 0.00 -1.56 0.00 0.00 34.95 31.23 3df4 s ARG 84 CO -0.06 0.45 0.74 0.21 -0.81 0.00 0.00 175.30 175.84 3df4 s LYS 85 N -0.35 0.55 -0.12 5.12 2.20 -0.26 -4.96 119.74 121.92 3df4 s LYS 85 Ca 0.02 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.88 3df4 s LYS 85 Cb -0.12 0.58 0.02 0.00 -1.51 0.00 0.00 37.83 36.80 3df4 s LYS 85 CO 0.02 -0.16 -0.15 -0.65 -0.36 0.00 0.00 175.35 174.05 3df4 s GLN 86 N 2.43 2.19 0.03 4.03 -0.21 -1.26 0.13 119.66 127.00 3df4 s GLN 86 Ca -0.07 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 54.81 3df4 s GLN 86 Cb -0.09 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 3df4 s GLN 86 CO -0.19 -0.11 -0.10 -1.14 -2.12 0.00 0.00 175.29 171.63 3df4 s GLN 87 N 1.13 0.71 0.00 2.91 0.74 0.16 -5.00 119.66 120.31 3df4 s GLN 87 Ca -0.04 -0.64 0.05 0.00 0.05 0.00 0.00 55.36 54.78 3df4 s GLN 87 Cb -0.14 -0.64 -0.03 0.00 1.10 0.00 0.00 33.01 33.30 3df4 s GLN 87 CO -0.04 0.15 -0.14 0.20 -0.55 0.00 0.00 175.29 174.91 3df4 s GLY 88 N -1.07 1.59 0.27 2.59 0.00 -1.26 0.06 107.32 109.50 3df4 s GLY 88 Ca -0.02 -1.08 0.12 0.00 0.00 0.00 0.00 44.72 43.74 3df4 s GLY 88 CO 0.01 -0.93 -0.20 -1.58 0.00 0.00 0.00 173.10 170.40 3df4 s HIS 89 N -0.87 2.24 0.14 1.90 2.46 -0.44 -4.93 115.29 115.78 3df4 s HIS 89 Ca 0.14 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.32 3df4 s HIS 89 Cb -0.11 -0.98 0.00 0.00 -0.13 0.00 0.00 32.58 31.37 3df4 s HIS 89 CO 0.04 0.68 0.00 -2.13 -2.47 0.00 0.00 174.74 170.86 3df4 n ARG 90 N -0.56 0.00 -1.11 2.88 3.00 -1.26 -0.74 116.66 118.86 3df4 n ARG 90 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 3df4 n ARG 90 Cb 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 32.46 32.74 3df4 n ARG 90 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3df4 n GLN 91 N -3.38 -0.83 -1.33 -0.14 -0.06 -1.26 -3.21 117.38 107.16 3df4 n GLN 91 Ca 0.00 1.02 -0.29 0.00 -2.00 0.00 0.00 57.00 55.72 3df4 n GLN 91 Cb 0.06 -1.06 0.20 0.00 -4.06 0.00 0.00 30.24 25.37 3df4 n GLN 91 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 3df4 s TRP 92 N -0.09 1.37 -0.30 3.69 0.52 -1.26 0.35 118.94 123.22 3df4 s TRP 92 Ca 0.00 0.62 -0.22 0.00 0.02 0.00 0.00 56.10 56.52 3df4 s TRP 92 Cb 0.00 -3.52 0.19 0.00 -1.15 0.00 0.00 33.47 28.99 3df4 s TRP 92 CO 0.00 -3.20 1.36 -0.59 0.02 0.00 0.00 176.95 174.54 3df4 s PHE 93 N -3.21 -0.09 0.36 -1.98 -0.12 -0.58 -4.55 117.98 107.81 3df4 s PHE 93 Ca 0.69 0.21 0.09 0.00 -0.05 0.00 0.00 56.93 57.86 3df4 s PHE 93 Cb -0.11 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 3df4 s PHE 93 CO 0.55 -0.04 0.03 0.95 -0.05 0.00 0.00 175.22 176.65 3df4 s THR 94 N 0.40 2.45 0.26 -4.49 -4.23 -0.68 -0.96 115.64 108.39 3df4 s THR 94 Ca 0.02 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3df4 s THR 94 Cb -0.04 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3df4 s THR 94 CO -0.13 -0.14 0.04 0.47 -0.54 0.00 0.00 174.62 174.31 3df4 n ASP 95 N -0.98 2.57 -3.49 3.99 8.00 -1.15 -1.70 116.55 123.79 3df4 n ASP 95 Ca -0.04 -2.11 -0.06 0.00 0.71 0.00 0.00 54.79 53.29 3df4 n ASP 95 Cb 0.63 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 3df4 n ASP 95 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3df4 s VAL 96 N -1.84 0.00 -0.03 2.53 -7.23 -0.35 -3.45 120.40 110.03 3df4 s VAL 96 Ca 0.03 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 3df4 s VAL 96 Cb -0.00 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 3df4 s VAL 96 CO 0.02 0.00 -0.01 1.17 -0.31 0.00 0.00 175.10 175.97 3df4 n LYS 97 N -0.53 2.26 -2.39 4.82 3.00 -0.44 -3.21 118.16 121.68 3df4 n LYS 97 Ca -0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 58.31 58.25 3df4 n LYS 97 Cb 0.60 -1.07 -0.01 0.00 0.00 0.00 0.00 35.03 34.54 3df4 n LYS 97 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3df4 n ILE 98 N -2.29-13.18 -0.31 3.15 -0.00 -1.26 -3.70 119.36 101.77 3df4 n ILE 98 Ca -0.05 3.03 0.00 0.00 -0.00 0.00 0.00 62.75 65.73 3df4 n ILE 98 Cb 0.58 -6.19 0.00 0.00 -0.00 0.00 0.00 39.64 34.03 3df4 n ILE 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3df4 n THR 99 N 1.77 0.00 0.00 1.39 -1.04 0.17 -0.48 114.28 116.09 3df4 n THR 99 Ca -0.11 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3df4 n THR 99 Cb 0.17 1.31 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 3df4 n THR 99 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3df4 n GLY 100 N 0.07 -1.40 2.44 3.41 0.00 -1.05 -4.64 105.19 104.02 3df4 n GLY 100 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3df4 n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df4 n ILE 101 N 0.00 -0.47 -2.27 -0.61 2.08 -0.95 -4.73 119.36 112.42 3df4 n ILE 101 Ca 0.00 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.96 3df4 n ILE 101 Cb 0.00 -2.30 -0.00 0.00 -0.75 0.00 0.00 39.64 36.59 3df4 n ILE 101 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3df4 s SER 102 N -2.46 5.78 0.00 4.38 1.04 -1.15 -4.95 113.70 116.34 3df4 s SER 102 Ca 0.00 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.55 3df4 s SER 102 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3df4 s SER 102 CO 0.00 -1.18 0.40 0.00 0.98 0.00 0.00 173.24 173.44