#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jy9 s ILE 2 N 0.00 4.34 -0.25 1.12 1.09 -0.40 -4.94 121.20 122.16 2jy9 s ILE 2 Ca 0.00 -0.21 -0.03 0.00 -1.10 0.00 0.00 60.65 59.30 2jy9 s ILE 2 Cb 0.00 -2.89 0.01 0.00 -1.06 0.00 0.00 42.46 38.53 2jy9 s ILE 2 CO 0.00 0.53 -0.03 0.00 -0.10 0.00 0.00 174.94 175.34 2jy9 s ALA 3 N -0.16 2.80 0.30 9.38 0.00 -1.26 -0.04 121.76 132.78 2jy9 s ALA 3 Ca 0.05 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.71 2jy9 s ALA 3 Cb -0.12 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2jy9 s ALA 3 CO 0.02 -0.70 0.43 0.42 0.00 0.00 0.00 175.76 175.93 2jy9 s ILE 4 N 1.41 4.46 0.95 0.00 -1.09 0.22 -5.00 121.20 122.15 2jy9 s ILE 4 Ca 0.03 -1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 57.34 2jy9 s ILE 4 Cb -0.16 -3.55 0.16 0.00 -1.58 0.00 0.00 42.46 37.33 2jy9 s ILE 4 CO -0.03 -0.22 1.11 -0.55 -1.23 0.00 0.00 174.94 174.02 2jy9 s SER 5 N -4.11 2.74 -0.95 3.58 0.15 -1.26 -3.18 113.70 110.67 2jy9 s SER 5 Ca 0.41 1.94 0.00 0.00 0.70 0.00 0.00 55.95 59.00 2jy9 s SER 5 Cb -0.09 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2jy9 s SER 5 CO 0.30 -3.17 0.00 0.54 1.20 0.00 0.00 173.24 172.11 2jy9 n ARG 6 N -4.26 -0.83 -2.70 5.44 5.12 -1.26 -3.41 116.66 114.75 2jy9 n ARG 6 Ca 0.09 0.58 -0.13 0.00 -1.93 0.00 0.00 57.85 56.46 2jy9 n ARG 6 Cb 0.53 -4.65 -0.01 0.00 -1.16 0.00 0.00 32.46 27.17 2jy9 n ARG 6 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2jy9 n THR 7 N -3.77 -0.58 -3.35 0.55 5.66 -1.22 -4.93 114.28 106.64 2jy9 n THR 7 Ca -0.12 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.46 2jy9 n THR 7 Cb 0.55 -1.45 -0.09 0.00 -1.55 0.00 0.00 70.33 67.79 2jy9 n THR 7 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jy9 s VAL 8 N -2.59 5.12 0.06 1.08 1.01 -1.19 -4.97 120.40 118.92 2jy9 s VAL 8 Ca 0.11 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2jy9 s VAL 8 Cb -0.06 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2jy9 s VAL 8 CO 0.13 -0.18 0.40 -0.44 0.00 0.00 0.00 175.10 175.01 2jy9 s SER 9 N 1.75 6.67 0.15 3.32 0.01 -1.26 -0.61 113.70 123.72 2jy9 s SER 9 Ca 0.13 0.82 0.09 0.00 1.31 0.00 0.00 55.95 58.31 2jy9 s SER 9 Cb -0.16 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2jy9 s SER 9 CO 0.12 0.21 -0.22 -0.63 0.41 0.00 0.00 173.24 173.13 2jy9 s ILE 10 N -1.33 1.98 1.32 1.44 1.01 0.94 -4.95 121.20 121.60 2jy9 s ILE 10 Ca 0.31 -1.80 -0.19 0.00 0.00 0.00 0.00 60.65 58.97 2jy9 s ILE 10 Cb -0.14 -1.84 0.33 0.00 0.01 0.00 0.00 42.46 40.82 2jy9 s ILE 10 CO 0.17 -0.12 0.98 0.00 0.00 0.00 0.00 174.94 175.96 2jy9 s ALA 11 N -1.52 -0.59 -0.13 9.38 0.00 -1.26 -1.27 121.76 126.36 2jy9 s ALA 11 Ca 0.14 -0.58 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 2jy9 s ALA 11 Cb -0.08 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 2jy9 s ALA 11 CO 0.06 -4.27 0.28 0.22 0.00 0.00 0.00 175.76 172.05 2jy9 h ASP 12 N -3.08 0.00 -0.25 0.00 3.58 -1.95 -3.33 116.42 111.38 2jy9 h ASP 12 Ca -0.51 -0.41 -0.13 0.00 0.42 0.00 0.00 57.03 56.40 2jy9 h ASP 12 Cb 1.34 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.31 2jy9 h ASP 12 CO 0.38 0.81 0.16 -3.20 -2.88 0.00 0.00 179.24 174.51 2jy9 n ASN 13 N -4.66 3.15 0.11 2.28 2.85 -1.26 -3.50 115.26 114.22 2jy9 n ASN 13 Ca -0.08 -2.41 0.03 0.00 -0.11 0.00 0.00 54.58 52.01 2jy9 n ASN 13 Cb 0.27 -0.59 -0.00 0.00 1.24 0.00 0.00 39.78 40.71 2jy9 n ASN 13 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2jy9 h GLU 14 N 0.30 0.00 -6.26 1.20 4.39 -1.96 -3.44 114.58 108.81 2jy9 h GLU 14 Ca 0.16 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.30 2jy9 h GLU 14 Cb 1.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 2jy9 h GLU 14 CO 0.28 0.36 0.83 -0.51 -1.16 0.00 0.00 179.01 178.81 2jy9 s LEU 15 N -6.13 4.25 -0.63 1.33 1.43 -1.23 -4.97 118.68 112.73 2jy9 s LEU 15 Ca 0.02 1.85 -0.23 0.00 -1.03 0.00 0.00 54.13 54.74 2jy9 s LEU 15 Cb 0.08 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.81 2jy9 s LEU 15 CO 0.77 -0.70 0.98 -1.61 0.23 0.00 0.00 176.35 176.01 2jy9 s GLU 16 N 2.86 3.18 -0.16 1.70 2.02 -1.26 -5.00 118.70 122.03 2jy9 s GLU 16 Ca 0.58 -0.63 -0.22 0.00 0.02 0.00 0.00 54.97 54.72 2jy9 s GLU 16 Cb -0.25 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.78 2jy9 s GLU 16 CO 0.21 -1.74 0.68 0.42 0.02 0.00 0.00 175.26 174.84 2jy9 s ILE 17 N 4.15 5.00 -0.03 -1.63 -1.09 -1.26 -3.27 121.20 123.08 2jy9 s ILE 17 Ca 0.25 1.32 0.07 0.00 -2.23 0.00 0.00 60.65 60.06 2jy9 s ILE 17 Cb -0.15 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 2jy9 s ILE 17 CO 0.13 0.13 -0.23 0.42 -1.23 0.00 0.00 174.94 174.16 2jy9 s THR 18 N 1.68 1.86 -0.13 2.92 -4.23 0.26 -5.00 115.64 113.00 2jy9 s THR 18 Ca 0.32 -0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.70 2jy9 s THR 18 Cb -0.16 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 2jy9 s THR 18 CO 0.12 0.52 0.32 0.00 -0.54 0.00 0.00 174.62 175.04 2jy9 s ALA 19 N -0.41 3.62 0.06 3.99 0.00 -1.26 -0.94 121.76 126.82 2jy9 s ALA 19 Ca 0.05 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 2jy9 s ALA 19 Cb -0.10 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.56 2jy9 s ALA 19 CO 0.00 0.18 0.56 0.42 0.00 0.00 0.00 175.76 176.93 2jy9 s ILE 20 N 0.14 4.76 0.00 0.00 1.01 -0.85 -4.91 121.20 121.35 2jy9 s ILE 20 Ca 0.18 1.20 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2jy9 s ILE 20 Cb -0.14 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2jy9 s ILE 20 CO 0.06 0.55 0.17 -1.14 0.00 0.00 0.00 174.94 174.58 2jy9 n ARG 21 N 1.79 0.00 -3.89 2.79 0.63 -1.24 -0.56 116.66 116.18 2jy9 n ARG 21 Ca -0.10 -0.08 -0.09 0.00 -0.92 0.00 0.00 57.85 56.65 2jy9 n ARG 21 Cb 0.51 -0.07 -0.07 0.00 0.45 0.00 0.00 32.46 33.28 2jy9 n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jy9 s ALA 22 N 0.00 -0.20 -0.04 5.13 0.00 -1.14 -4.75 121.76 120.76 2jy9 s ALA 22 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2jy9 s ALA 22 Cb 0.00 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2jy9 s ALA 22 CO 0.00 -0.60 0.07 0.94 0.00 0.00 0.00 175.76 176.17 2jy9 n GLN 23 N -0.16 -1.98 -2.58 0.00 7.27 -1.26 -4.74 117.38 113.93 2jy9 n GLN 23 Ca -0.11 1.77 -0.21 0.00 0.07 0.00 0.00 57.00 58.52 2jy9 n GLN 23 Cb 0.63 -2.50 0.01 0.00 2.41 0.00 0.00 30.24 30.78 2jy9 n GLN 23 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jy9 n GLY 24 N 0.72 4.43 3.26 1.69 0.00 -1.26 -4.41 105.19 109.62 2jy9 n GLY 24 Ca -0.11 -2.25 -0.11 0.00 0.00 0.00 0.00 46.02 43.55 2jy9 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jy9 s ALA 25 N -3.37 0.78 0.00 4.61 0.00 -1.26 -4.60 121.76 117.92 2jy9 s ALA 25 Ca 0.41 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2jy9 s ALA 25 Cb 0.41 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.72 2jy9 s ALA 25 CO -0.11 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2jy9 n GLY 26 N -0.25 0.70 0.00 0.00 0.00 -1.26 -4.88 105.19 99.51 2jy9 n GLY 26 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2jy9 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jy9 n GLY 27 N 0.00 0.70 0.98 -0.02 0.00 -1.26 -4.97 105.19 100.62 2jy9 n GLY 27 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2jy9 n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jy9 n GLN 28 N -1.45 -2.11 -1.29 1.61 6.02 -1.26 -4.85 117.38 114.05 2jy9 n GLN 28 Ca 0.00 1.55 -0.10 0.00 -0.01 0.00 0.00 57.00 58.44 2jy9 n GLN 28 Cb 0.00 -2.52 -0.04 0.00 1.02 0.00 0.00 30.24 28.70 2jy9 n GLN 28 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2jy9 n HIS 29 N -3.66 0.00 -4.32 1.08 -0.00 -1.26 -4.95 115.22 102.11 2jy9 n HIS 29 Ca -0.02 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.89 2jy9 n HIS 29 Cb 0.46 -2.34 -0.10 0.00 -0.12 0.00 0.00 29.99 27.88 2jy9 n HIS 29 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jy9 s VAL 30 N -2.05 2.99 0.44 3.57 0.11 -1.26 -4.98 120.40 119.21 2jy9 s VAL 30 Ca 0.00 -1.73 0.06 0.00 -2.93 0.00 0.00 61.98 57.37 2jy9 s VAL 30 Cb 0.00 -2.47 0.06 0.00 -1.53 0.00 0.00 36.38 32.44 2jy9 s VAL 30 CO 0.00 -0.10 0.46 -0.46 -3.33 0.00 0.00 175.10 171.67 2jy9 n ASN 31 N 0.13 2.01 0.00 3.54 6.94 -1.26 -4.71 115.26 121.91 2jy9 n ASN 31 Ca -0.11 -2.33 0.09 0.00 -0.02 0.00 0.00 54.58 52.21 2jy9 n ASN 31 Cb 0.55 -0.17 0.55 0.00 -2.36 0.00 0.00 39.78 38.35 2jy9 n ASN 31 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2jy9 n LYS 32 N -1.72 0.83 -3.73 -3.83 2.85 -1.26 -4.15 118.16 107.14 2jy9 n LYS 32 Ca 0.05 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.05 2jy9 n LYS 32 Cb 0.47 -1.35 0.05 0.00 -0.65 0.00 0.00 35.03 33.56 2jy9 n LYS 32 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2jy9 n THR 33 N -0.85 -2.91 -2.02 0.58 -1.04 -1.26 -2.88 114.28 103.90 2jy9 n THR 33 Ca 0.14 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 2jy9 n THR 33 Cb 0.06 -3.56 -0.03 0.00 -1.82 0.00 0.00 70.33 64.99 2jy9 n THR 33 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2jy9 s SER 34 N -3.47 6.68 -0.25 8.00 1.04 -1.26 -3.71 113.70 120.73 2jy9 s SER 34 Ca 0.53 2.23 -0.07 0.00 0.48 0.00 0.00 55.95 59.13 2jy9 s SER 34 Cb -0.25 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.34 2jy9 s SER 34 CO 0.78 -0.91 0.32 -1.20 0.98 0.00 0.00 173.24 173.21 2jy9 n SER 35 N 6.95 -5.07 -4.00 7.02 7.64 0.27 -4.97 113.62 121.47 2jy9 n SER 35 Ca 0.17 0.23 -0.10 0.00 1.01 0.00 0.00 58.87 60.18 2jy9 n SER 35 Cb 0.43 -3.27 -0.08 0.00 -1.01 0.00 0.00 64.21 60.28 2jy9 n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jy9 s ALA 36 N -2.02 0.18 -0.22 -0.43 0.00 -1.21 -4.78 121.76 113.28 2jy9 s ALA 36 Ca 0.11 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 2jy9 s ALA 36 Cb -0.03 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 2jy9 s ALA 36 CO 0.40 -0.61 0.14 0.42 0.00 0.00 0.00 175.76 176.11 2jy9 s ILE 37 N -3.98 5.38 -0.03 0.00 -1.09 -0.28 -2.01 121.20 119.18 2jy9 s ILE 37 Ca 0.18 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 2jy9 s ILE 37 Cb 0.04 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2jy9 s ILE 37 CO 0.00 0.39 -0.02 -2.28 -1.23 0.00 0.00 174.94 171.80 2jy9 s HIS 38 N 0.72 0.43 0.01 3.97 5.65 -0.11 -0.21 115.29 125.74 2jy9 s HIS 38 Ca 0.08 -0.06 -0.08 0.00 0.25 0.00 0.00 55.06 55.24 2jy9 s HIS 38 Cb -0.12 -0.44 0.00 0.00 -1.18 0.00 0.00 32.58 30.84 2jy9 s HIS 38 CO 0.01 -0.12 0.16 -0.48 -0.65 0.00 0.00 174.74 173.66 2jy9 s LEU 39 N 0.80 1.47 0.08 8.88 2.34 -0.72 0.92 118.68 132.44 2jy9 s LEU 39 Ca -0.09 -0.21 0.07 0.00 0.06 0.00 0.00 54.13 53.95 2jy9 s LEU 39 Cb -0.12 0.77 -0.03 0.00 -0.56 0.00 0.00 46.19 46.25 2jy9 s LEU 39 CO -0.01 -0.41 -0.18 0.00 -1.06 0.00 0.00 176.35 174.69 2jy9 s ARG 40 N -1.59 1.01 -0.20 1.48 3.03 -1.20 -2.20 118.95 119.27 2jy9 s ARG 40 Ca -0.13 -1.02 0.01 0.00 2.03 0.00 0.00 55.73 56.61 2jy9 s ARG 40 Cb -0.06 -1.14 0.05 0.00 -1.03 0.00 0.00 34.95 32.76 2jy9 s ARG 40 CO 0.01 0.27 -0.08 0.12 -1.13 0.00 0.00 175.30 174.48 2jy9 s PHE 41 N -1.14 2.28 0.09 5.89 5.36 -0.88 -4.02 117.98 125.56 2jy9 s PHE 41 Ca 0.03 -1.53 0.01 0.00 -0.96 0.00 0.00 56.93 54.49 2jy9 s PHE 41 Cb -0.10 -1.57 -0.04 0.00 -0.34 0.00 0.00 43.02 40.98 2jy9 s PHE 41 CO 0.03 -0.73 0.21 0.34 -1.46 0.00 0.00 175.22 173.61 2jy9 s ASP 42 N 1.44 6.18 0.05 6.13 2.15 -1.26 -2.23 116.67 129.13 2jy9 s ASP 42 Ca -0.02 0.18 -0.18 0.00 0.43 0.00 0.00 52.55 52.96 2jy9 s ASP 42 Cb -0.17 -1.84 -0.14 0.00 -0.30 0.00 0.00 42.92 40.47 2jy9 s ASP 42 CO -0.08 0.13 1.33 0.40 -0.17 0.00 0.00 175.17 176.78 2jy9 h ILE 43 N 2.03 1.35 0.00 4.11 5.03 -1.93 -3.03 117.51 125.07 2jy9 h ILE 43 Ca -0.46 -1.51 0.00 0.00 -0.12 0.00 0.00 64.86 62.77 2jy9 h ILE 43 Cb 1.17 1.90 0.00 0.00 -3.03 0.00 0.00 36.82 36.87 2jy9 h ILE 43 CO 0.72 0.46 0.00 -1.14 -0.68 0.00 0.00 178.15 177.50 2jy9 n ARG 44 N -4.38 0.83 0.00 2.37 0.63 -1.26 -1.82 116.66 113.02 2jy9 n ARG 44 Ca -0.06 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.02 2jy9 n ARG 44 Cb 0.46 -1.46 0.73 0.00 0.45 0.00 0.00 32.46 32.64 2jy9 n ARG 44 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jy9 n ALA 45 N -0.96 2.61 -3.00 5.13 0.00 -1.14 -4.91 120.51 118.23 2jy9 n ALA 45 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2jy9 n ALA 45 Cb 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2jy9 n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jy9 n SER 46 N -1.12 0.00 -3.76 0.00 2.88 -0.75 -5.05 113.62 105.81 2jy9 n SER 46 Ca 0.16 -0.52 -0.28 0.00 -1.33 0.00 0.00 58.87 56.90 2jy9 n SER 46 Cb 0.24 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.58 2jy9 n SER 46 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jy9 s GLY 47 N -0.52 2.25 0.56 0.46 0.00 -1.26 -4.96 107.32 103.85 2jy9 s GLY 47 Ca 0.00 -3.22 -0.16 0.00 0.00 0.00 0.00 44.72 41.34 2jy9 s GLY 47 CO 0.00 1.38 1.03 1.08 0.00 0.00 0.00 173.10 176.59 2jy9 s LEU 48 N -0.61 3.56 0.56 0.66 1.43 -1.26 -5.03 118.68 117.99 2jy9 s LEU 48 Ca 0.24 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 54.88 2jy9 s LEU 48 Cb -0.10 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.55 2jy9 s LEU 48 CO -0.11 -0.95 1.22 -2.84 0.23 0.00 0.00 176.35 173.89 2jy9 s PRO 49 N -4.01 3.18 0.19 1.29 0.02 -1.26 -4.76 135.00 129.64 2jy9 s PRO 49 Ca 0.62 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 2jy9 s PRO 49 Cb -0.14 -2.08 0.16 0.00 0.02 0.00 0.00 34.50 32.47 2jy9 s PRO 49 CO 0.34 -1.05 1.78 0.93 -0.33 0.00 0.00 177.00 178.67 2jy9 h GLU 50 N 1.22 0.50 -0.67 5.54 4.39 -1.98 0.35 114.58 123.93 2jy9 h GLU 50 Ca -0.50 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.19 2jy9 h GLU 50 Cb 1.29 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.79 2jy9 h GLU 50 CO 0.57 0.33 0.43 1.88 -1.16 0.00 0.00 179.01 181.05 2jy9 h TYR 51 N 0.51 0.81 -0.02 4.33 -1.99 -2.01 -2.43 116.97 116.17 2jy9 h TYR 51 Ca 0.24 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.91 2jy9 h TYR 51 Cb 0.17 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 38.63 2jy9 h TYR 51 CO -0.11 0.48 -0.32 -0.92 -0.00 0.00 0.00 178.16 177.30 2jy9 h TYR 52 N 0.86 0.36 -0.37 4.88 3.20 -1.77 -3.24 116.97 120.88 2jy9 h TYR 52 Ca 0.26 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 62.02 2jy9 h TYR 52 Cb -0.04 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 2jy9 h TYR 52 CO -0.04 0.96 -0.12 -0.22 -1.64 0.00 0.00 178.16 177.10 2jy9 h LYS 53 N -0.34 -0.04 -0.55 1.82 3.64 -0.23 -2.50 116.57 118.38 2jy9 h LYS 53 Ca -0.03 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2jy9 h LYS 53 Cb 1.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2jy9 h LYS 53 CO 0.06 -0.02 0.05 1.96 -2.27 0.00 0.00 179.45 179.23 2jy9 h GLN 54 N -0.04 0.94 0.00 1.90 4.20 -1.55 -2.84 115.11 117.72 2jy9 h GLN 54 Ca 0.18 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2jy9 h GLN 54 Cb 0.32 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2jy9 h GLN 54 CO -0.41 0.93 -0.12 0.00 -0.67 0.00 0.00 178.83 178.56 2jy9 h ARG 55 N 0.82 0.00 -0.17 1.46 3.08 -1.49 -1.60 114.38 116.48 2jy9 h ARG 55 Ca 0.16 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 2jy9 h ARG 55 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2jy9 h ARG 55 CO 0.02 0.12 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.89 2jy9 h LEU 56 N 0.00 0.24 0.03 3.04 3.38 -1.20 0.27 115.31 121.07 2jy9 h LEU 56 Ca -0.00 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 2jy9 h LEU 56 Cb 0.44 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jy9 h LEU 56 CO 0.02 0.36 -1.50 -0.07 0.09 0.00 0.00 178.44 177.33 2jy9 h LEU 57 N 0.25 0.10 -0.19 1.67 -0.00 -1.41 -3.36 115.31 112.37 2jy9 h LEU 57 Ca 0.05 -0.16 -0.13 0.00 -0.00 0.00 0.00 57.88 57.64 2jy9 h LEU 57 Cb 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2jy9 h LEU 57 CO 0.02 1.13 -0.41 0.74 -0.00 0.00 0.00 178.44 179.92 2jy9 h THR 58 N 0.02 1.33 -3.25 0.22 2.02 -1.04 -3.40 112.91 108.81 2jy9 h THR 58 Ca -0.21 -1.64 -0.66 0.00 0.77 0.00 0.00 66.41 64.66 2jy9 h THR 58 Cb 1.95 1.90 -0.16 0.00 -1.74 0.00 0.00 68.15 70.10 2jy9 h THR 58 CO 0.11 0.51 0.21 0.00 0.37 0.00 0.00 175.52 176.71 2jy9 s ALA 59 N -4.01 3.32 -1.43 6.16 0.00 0.92 -4.95 121.76 121.77 2jy9 s ALA 59 Ca -0.12 -1.57 -0.14 0.00 0.00 0.00 0.00 51.96 50.13 2jy9 s ALA 59 Cb 0.07 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2jy9 s ALA 59 CO 0.83 -2.11 2.36 0.45 0.00 0.00 0.00 175.76 177.29 2jy9 n SER 60 N 6.56 4.86 -4.77 0.00 2.88 -1.26 -4.77 113.62 117.13 2jy9 n SER 60 Ca -0.04 -2.75 -0.41 0.00 -1.33 0.00 0.00 58.87 54.34 2jy9 n SER 60 Cb 0.46 -1.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.33 2jy9 n SER 60 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2jy9 s HIS 61 N 3.13 2.68 0.48 0.66 5.04 -1.26 -4.87 115.29 121.14 2jy9 s HIS 61 Ca 0.53 1.00 0.16 0.00 -1.54 0.00 0.00 55.06 55.21 2jy9 s HIS 61 Cb 0.15 -4.03 1.17 0.00 0.04 0.00 0.00 32.58 29.91 2jy9 s HIS 61 CO -0.07 -3.22 2.05 1.25 -2.34 0.00 0.00 174.74 172.41 2jy9 h HIS 62 N 3.86 0.20 0.00 3.88 2.76 -2.00 0.34 115.15 124.19 2jy9 h HIS 62 Ca -0.49 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2jy9 h HIS 62 Cb 1.23 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2jy9 h HIS 62 CO 0.56 0.11 0.00 1.28 -1.30 0.00 0.00 177.93 178.57 2jy9 n LEU 63 N -4.47 0.00 -4.72 0.26 4.77 -1.26 -4.60 117.00 106.98 2jy9 n LEU 63 Ca 0.05 0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 2jy9 n LEU 63 Cb 0.29 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2jy9 n LEU 63 CO 0.35 -0.05 0.61 -0.63 -1.33 0.00 0.00 177.39 176.34 2jy9 s ILE 64 N -2.70 4.81 0.00 -0.08 -1.09 0.12 -1.77 121.20 120.48 2jy9 s ILE 64 Ca 0.21 1.93 0.00 0.00 -2.23 0.00 0.00 60.65 60.55 2jy9 s ILE 64 Cb 0.17 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2jy9 s ILE 64 CO 0.41 0.23 0.21 -0.24 -1.23 0.00 0.00 174.94 174.32 2jy9 n SER 65 N 3.54 0.00 0.00 3.58 2.88 -0.88 -4.85 113.62 117.89 2jy9 n SER 65 Ca 0.03 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2jy9 n SER 65 Cb 0.51 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2jy9 n SER 65 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jy9 n ASP 66 N -1.76 0.00 0.00 -3.46 -0.08 -1.26 -4.93 116.55 105.07 2jy9 n ASP 66 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 2jy9 n ASP 66 Cb 0.00 0.09 0.45 0.00 2.34 0.00 0.00 41.12 44.00 2jy9 n ASP 66 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jy9 n ASP 67 N -1.51 0.00 0.00 1.67 9.92 -1.26 -4.77 116.55 120.60 2jy9 n ASP 67 Ca 0.00 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 2jy9 n ASP 67 Cb 0.00 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 2jy9 n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jy9 n GLY 68 N 0.07 0.77 3.84 0.44 0.00 -1.26 -5.08 105.19 103.97 2jy9 n GLY 68 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2jy9 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy9 s VAL 69 N -2.00 5.10 -0.15 1.61 0.11 -1.26 -4.70 120.40 119.11 2jy9 s VAL 69 Ca 0.00 -0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.67 2jy9 s VAL 69 Cb 0.00 -3.31 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 2jy9 s VAL 69 CO 0.00 0.42 0.62 -0.63 -3.33 0.00 0.00 175.10 172.19 2jy9 s ILE 70 N -1.17 5.06 -0.21 7.04 1.01 -0.95 -2.07 121.20 129.90 2jy9 s ILE 70 Ca 0.22 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 62.06 2jy9 s ILE 70 Cb -0.12 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2jy9 s ILE 70 CO 0.12 0.18 -0.09 -0.63 0.00 0.00 0.00 174.94 174.53 2jy9 s ILE 71 N 1.40 2.97 -0.11 2.92 1.09 -0.73 -2.08 121.20 126.66 2jy9 s ILE 71 Ca 0.31 -0.67 0.02 0.00 -1.10 0.00 0.00 60.65 59.21 2jy9 s ILE 71 Cb -0.16 -2.35 0.01 0.00 -1.06 0.00 0.00 42.46 38.90 2jy9 s ILE 71 CO 0.12 0.43 -0.18 -0.63 -0.10 0.00 0.00 174.94 174.59 2jy9 s ILE 72 N 1.41 1.67 0.03 2.92 1.09 -0.93 -4.85 121.20 122.54 2jy9 s ILE 72 Ca 0.05 -0.75 0.08 0.00 -1.10 0.00 0.00 60.65 58.93 2jy9 s ILE 72 Cb -0.14 -1.50 -0.03 0.00 -1.06 0.00 0.00 42.46 39.74 2jy9 s ILE 72 CO -0.06 0.47 -0.24 -1.59 -0.10 0.00 0.00 174.94 173.42 2jy9 s LYS 73 N 0.86 1.70 -0.02 2.79 0.00 -1.26 -1.76 119.74 122.06 2jy9 s LYS 73 Ca -0.09 -1.02 -0.00 0.00 0.00 0.00 0.00 55.97 54.86 2jy9 s LYS 73 Cb -0.15 -1.82 0.02 0.00 0.00 0.00 0.00 37.83 35.87 2jy9 s LYS 73 CO -0.00 0.47 0.03 0.00 0.00 0.00 0.00 175.35 175.85 2jy9 s ALA 74 N -0.76 -0.01 -0.29 0.59 0.00 0.70 -4.93 121.76 117.07 2jy9 s ALA 74 Ca 0.10 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2jy9 s ALA 74 Cb -0.10 -0.14 0.18 0.00 0.00 0.00 0.00 23.12 23.07 2jy9 s ALA 74 CO 0.02 -0.06 0.54 1.14 0.00 0.00 0.00 175.76 177.40 2jy9 s GLN 75 N 0.50 0.52 -0.09 0.00 -2.07 -1.26 -1.13 119.66 116.13 2jy9 s GLN 75 Ca -0.04 0.61 -0.07 0.00 -1.82 0.00 0.00 55.36 54.04 2jy9 s GLN 75 Cb -0.06 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 2jy9 s GLN 75 CO -0.02 -0.87 -0.16 0.39 -1.32 0.00 0.00 175.29 173.31 2jy9 n GLU 76 N 5.41 0.25 -2.31 9.60 1.02 -1.26 -3.84 120.64 129.50 2jy9 n GLU 76 Ca 0.02 0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.23 2jy9 n GLU 76 Cb 0.52 -0.92 -0.01 0.00 -0.02 0.00 0.00 31.44 31.00 2jy9 n GLU 76 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jy9 n PHE 77 N -3.68 -0.28 1.49 -0.32 7.35 -1.26 -4.89 117.46 115.87 2jy9 n PHE 77 Ca -0.18 -0.51 0.02 0.00 -0.76 0.00 0.00 57.45 56.02 2jy9 n PHE 77 Cb 0.51 0.07 0.05 0.00 0.35 0.00 0.00 39.48 40.46 2jy9 n PHE 77 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2jy9 n ARG 78 N -0.12 1.30 -2.88 -4.13 3.00 -1.26 -4.62 116.66 107.95 2jy9 n ARG 78 Ca 0.01 -0.39 -0.43 0.00 -0.01 0.00 0.00 57.85 57.03 2jy9 n ARG 78 Cb 0.11 -1.18 -0.04 0.00 0.00 0.00 0.00 32.46 31.36 2jy9 n ARG 78 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jy9 s SER 79 N -0.83 6.29 0.54 0.55 0.01 -1.26 -4.89 113.70 114.11 2jy9 s SER 79 Ca 0.07 -1.28 0.33 0.00 1.31 0.00 0.00 55.95 56.38 2jy9 s SER 79 Cb 0.04 -2.41 1.33 0.00 0.21 0.00 0.00 66.02 65.19 2jy9 s SER 79 CO 0.04 -1.33 1.97 1.56 0.41 0.00 0.00 173.24 175.89 2jy9 h GLN 80 N 9.37 0.00 0.18 12.44 7.50 -1.98 -2.87 115.11 139.75 2jy9 h GLN 80 Ca -0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.98 2jy9 h GLN 80 Cb 1.06 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.57 2jy9 h GLN 80 CO 1.17 0.01 -0.18 1.49 -1.50 0.00 0.00 178.83 179.81 2jy9 h GLU 81 N 0.00 -0.38 0.01 1.46 4.22 -1.97 0.43 114.58 118.36 2jy9 h GLU 81 Ca -0.00 0.03 -0.20 0.00 0.08 0.00 0.00 59.36 59.26 2jy9 h GLU 81 Cb 0.53 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jy9 h GLU 81 CO 0.00 -0.25 -0.91 1.37 -2.18 0.00 0.00 179.01 177.04 2jy9 h LEU 82 N -0.39 0.21 -0.45 1.64 8.10 -1.98 -1.84 115.31 120.60 2jy9 h LEU 82 Ca 0.00 -0.18 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 2jy9 h LEU 82 Cb 0.37 -0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 40.50 2jy9 h LEU 82 CO -0.05 1.01 0.25 0.78 -4.11 0.00 0.00 178.44 176.33 2jy9 h ASN 83 N 0.08 0.55 -0.08 0.17 2.35 -1.33 -2.08 115.58 115.24 2jy9 h ASN 83 Ca -0.04 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 2jy9 h ASN 83 Cb 1.56 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.78 2jy9 h ASN 83 CO 0.14 0.47 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.26 2jy9 h ARG 84 N 0.59 0.16 -0.92 0.81 2.43 -0.07 -2.51 114.38 114.87 2jy9 h ARG 84 Ca 0.16 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2jy9 h ARG 84 Cb 0.03 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 2jy9 h ARG 84 CO -0.03 0.52 0.60 1.05 -1.51 0.00 0.00 179.97 180.61 2jy9 h GLU 85 N -0.20 1.06 -0.25 0.20 4.11 -1.30 -0.33 114.58 117.86 2jy9 h GLU 85 Ca 0.02 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 2jy9 h GLU 85 Cb 0.47 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2jy9 h GLU 85 CO 0.01 0.70 -0.06 0.00 0.07 0.00 0.00 179.01 179.73 2jy9 h ALA 86 N 1.49 0.35 -0.45 1.06 0.00 -1.34 -0.12 119.26 120.25 2jy9 h ALA 86 Ca 0.39 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jy9 h ALA 86 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jy9 h ALA 86 CO -0.14 0.16 0.29 0.00 0.00 0.00 0.00 179.25 179.56 2jy9 h ALA 87 N 0.76 0.57 0.15 0.00 0.00 -0.92 -0.06 119.26 119.76 2jy9 h ALA 87 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jy9 h ALA 87 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jy9 h ALA 87 CO 0.03 -0.00 -0.07 0.82 0.00 0.00 0.00 179.25 180.02 2jy9 h ILE 88 N 0.59 0.95 -0.98 0.00 2.04 -1.00 -2.03 117.51 117.06 2jy9 h ILE 88 Ca 0.17 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2jy9 h ILE 88 Cb -0.05 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 2jy9 h ILE 88 CO -0.05 0.10 0.64 0.00 0.00 0.00 0.00 178.15 178.84 2jy9 h ALA 89 N 0.42 1.40 -0.20 1.87 0.00 -0.87 -1.33 119.26 120.55 2jy9 h ALA 89 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jy9 h ALA 89 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jy9 h ALA 89 CO 0.03 0.47 0.08 0.00 0.00 0.00 0.00 179.25 179.83 2jy9 h ARG 90 N 1.19 0.30 -0.54 0.00 -0.00 -0.90 -1.97 114.38 112.46 2jy9 h ARG 90 Ca 0.41 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.98 59.74 2jy9 h ARG 90 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 2jy9 h ARG 90 CO -0.15 0.37 -0.05 1.37 0.00 0.00 0.00 179.97 181.51 2jy9 h LEU 91 N 0.16 0.95 -0.87 3.04 8.10 -0.85 -1.07 115.31 124.78 2jy9 h LEU 91 Ca 0.07 -0.28 -0.02 0.00 0.11 0.00 0.00 57.88 57.75 2jy9 h LEU 91 Cb 0.19 -0.26 -0.04 0.00 -0.44 0.00 0.00 40.66 40.11 2jy9 h LEU 91 CO -0.00 1.04 0.46 0.58 -4.11 0.00 0.00 178.44 176.40 2jy9 h VAL 92 N 0.88 1.26 -0.29 0.15 2.07 -1.19 0.21 116.25 119.34 2jy9 h VAL 92 Ca 0.15 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2jy9 h VAL 92 Cb 0.58 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2jy9 h VAL 92 CO 0.04 0.30 0.16 0.00 0.02 0.00 0.00 177.57 178.08 2jy9 h ALA 93 N 1.25 0.38 -0.67 1.67 0.00 -0.91 -2.20 119.26 118.78 2jy9 h ALA 93 Ca 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jy9 h ALA 93 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2jy9 h ALA 93 CO -0.05 -0.08 0.41 0.28 0.00 0.00 0.00 179.25 179.81 2jy9 h VAL 94 N 0.35 1.19 -0.68 0.00 2.07 -0.61 -0.07 116.25 118.51 2jy9 h VAL 94 Ca 0.10 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.32 2jy9 h VAL 94 Cb 0.08 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 2jy9 h VAL 94 CO -0.02 0.20 0.45 0.40 0.02 0.00 0.00 177.57 178.63 2jy9 h ILE 95 N 0.91 0.87 0.00 4.57 2.04 -0.42 -1.01 117.51 124.47 2jy9 h ILE 95 Ca 0.24 -0.16 -0.18 0.00 1.00 0.00 0.00 64.86 65.76 2jy9 h ILE 95 Cb -0.04 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2jy9 h ILE 95 CO -0.05 0.08 -0.93 0.11 0.00 0.00 0.00 178.15 177.37 2jy9 h LYS 96 N 0.46 0.00 0.00 2.37 1.57 -0.59 -3.29 116.57 117.09 2jy9 h LYS 96 Ca 0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2jy9 h LYS 96 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2jy9 h LYS 96 CO -0.10 0.77 -0.01 0.93 -0.57 0.00 0.00 179.45 180.48 2jy9 h GLU 97 N 0.00 0.00 0.00 3.15 5.08 0.34 0.61 114.58 123.76 2jy9 h GLU 97 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jy9 h GLU 97 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 2jy9 h GLU 97 CO 0.10 0.01 0.00 -0.07 -1.00 0.00 0.00 179.01 178.05 2jy9 h LEU 98 N 0.00 0.00 0.00 1.33 -0.00 -1.61 -3.36 115.31 111.67 2jy9 h LEU 98 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2jy9 h LEU 98 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 2jy9 h LEU 98 CO 0.00 0.00 -1.09 0.35 -0.00 0.00 0.00 178.44 177.70 2jy9 n THR 99 N -2.63 0.62 -3.12 0.22 -2.24 -0.11 -4.95 114.28 102.07 2jy9 n THR 99 Ca 0.03 0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.42 2jy9 n THR 99 Cb 0.33 -1.64 -0.06 0.00 -2.10 0.00 0.00 70.33 66.86 2jy9 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jy9 s ALA 100 N -2.15 3.52 0.36 6.98 0.00 0.20 -5.01 121.76 125.65 2jy9 s ALA 100 Ca -0.09 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 2jy9 s ALA 100 Cb 0.03 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 20.08 2jy9 s ALA 100 CO 0.12 -0.48 1.12 0.39 0.00 0.00 0.00 175.76 176.91 2jy9 n GLU 101 N 4.86 1.65 -1.70 0.00 1.02 -1.26 -3.80 120.64 121.41 2jy9 n GLU 101 Ca -0.02 0.58 -0.60 0.00 -0.02 0.00 0.00 57.16 57.11 2jy9 n GLU 101 Cb 0.50 -2.11 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 2jy9 n GLU 101 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jy9 n GLN 102 N 0.43 0.81 0.00 3.49 6.02 -1.26 -4.92 117.38 121.96 2jy9 n GLN 102 Ca 0.08 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 2jy9 n GLN 102 Cb 0.36 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.70 2jy9 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2jy9 n LYS 103 N 4.57 0.00 -3.64 -1.09 5.02 -1.26 -5.09 118.16 116.68 2jy9 n LYS 103 Ca 0.27 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.54 2jy9 n LYS 103 Cb 0.08 -0.12 -0.04 0.00 -0.02 0.00 0.00 35.03 34.94 2jy9 n LYS 103 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jy9 s SER 104 N -1.68 -1.11 -0.29 4.39 0.15 -1.26 -5.12 113.70 108.78 2jy9 s SER 104 Ca 0.00 1.54 0.01 0.00 0.70 0.00 0.00 55.95 58.20 2jy9 s SER 104 Cb 0.00 2.25 0.06 0.00 -1.71 0.00 0.00 66.02 66.62 2jy9 s SER 104 CO 0.00 -0.22 -0.04 -0.60 1.20 0.00 0.00 173.24 173.59 2jy9 s ARG 105 N 2.84 2.26 -0.07 5.44 3.00 -1.26 -5.06 118.95 126.10 2jy9 s ARG 105 Ca -0.06 -1.37 0.03 0.00 -1.00 0.00 0.00 55.73 53.33 2jy9 s ARG 105 Cb -0.11 -3.07 -0.02 0.00 0.00 0.00 0.00 34.95 31.75 2jy9 s ARG 105 CO -0.19 -0.64 -0.15 0.50 0.00 0.00 0.00 175.30 174.82 2jy9 s ARG 106 N 1.15 2.72 0.02 5.12 3.52 -1.26 -5.11 118.95 125.11 2jy9 s ARG 106 Ca -0.05 -0.72 -0.21 0.00 -0.13 0.00 0.00 55.73 54.61 2jy9 s ARG 106 Cb -0.20 -2.41 0.05 0.00 -1.56 0.00 0.00 34.95 30.83 2jy9 s ARG 106 CO -0.03 0.49 0.48 0.00 -0.81 0.00 0.00 175.30 175.43 2jy9 s ALA 107 N -0.39 -1.23 0.31 6.12 0.00 -1.26 -5.03 121.76 120.28 2jy9 s ALA 107 Ca 0.04 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.62 2jy9 s ALA 107 Cb -0.12 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2jy9 s ALA 107 CO 0.02 -0.43 0.07 0.25 0.00 0.00 0.00 175.76 175.67 2jy9 n THR 108 N 0.66 0.00 -2.76 0.00 -2.24 -1.26 -5.14 114.28 103.53 2jy9 n THR 108 Ca -0.19 -1.65 -0.02 0.00 -2.27 0.00 0.00 64.05 59.93 2jy9 n THR 108 Cb 0.59 0.50 0.02 0.00 -2.10 0.00 0.00 70.33 69.34 2jy9 n THR 108 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2jy9 s ARG 109 N -3.14 0.45 0.18 -0.78 3.52 -1.26 -4.71 118.95 113.21 2jy9 s ARG 109 Ca 0.09 -0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 55.02 2jy9 s ARG 109 Cb 0.00 -0.00 -0.09 0.00 -1.56 0.00 0.00 34.95 33.30 2jy9 s ARG 109 CO 0.07 -0.58 1.47 -1.25 -0.81 0.00 0.00 175.30 174.20 2jy9 s PRO 110 N 1.26 4.27 -0.61 5.12 0.04 -1.25 -4.99 135.00 138.85 2jy9 s PRO 110 Ca 0.22 2.25 -0.10 0.00 0.04 0.00 0.00 61.00 63.41 2jy9 s PRO 110 Cb 0.06 -3.16 0.16 0.00 0.04 0.00 0.00 34.50 31.59 2jy9 s PRO 110 CO -0.10 -0.48 0.50 0.99 0.04 0.00 0.00 177.00 177.95 2jy9 s THR 111 N 0.69 4.62 0.09 1.26 2.01 -1.26 -4.90 115.64 118.15 2jy9 s THR 111 Ca 0.64 -2.16 -0.07 0.00 0.31 0.00 0.00 61.69 60.41 2jy9 s THR 111 Cb -0.41 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 2jy9 s THR 111 CO 0.35 -0.88 0.16 -0.13 -0.69 0.00 0.00 174.62 173.44 2jy9 s ARG 112 N 0.80 0.83 0.16 4.92 1.81 -1.26 -4.95 118.95 121.25 2jy9 s ARG 112 Ca 0.11 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.10 2jy9 s ARG 112 Cb -0.21 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 2jy9 s ARG 112 CO -0.03 -0.25 0.00 0.00 -0.68 0.00 0.00 175.30 174.34 2jy9 n ALA 113 N -0.05 -1.41 -3.47 2.13 0.00 -1.26 -4.90 120.51 111.56 2jy9 n ALA 113 Ca -0.14 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2jy9 n ALA 113 Cb 0.62 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 2jy9 n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jy9 s SER 114 N -2.79 -0.49 -0.29 0.00 0.15 -1.26 -4.68 113.70 104.34 2jy9 s SER 114 Ca 0.00 -0.04 -0.14 0.00 0.70 0.00 0.00 55.95 56.47 2jy9 s SER 114 Cb 0.00 0.54 0.14 0.00 -1.71 0.00 0.00 66.02 64.99 2jy9 s SER 114 CO 0.00 -0.89 0.85 -0.75 1.20 0.00 0.00 173.24 173.65 2jy9 s LYS 115 N -3.57 0.46 -0.13 5.44 2.20 -1.26 -5.13 119.74 117.76 2jy9 s LYS 115 Ca 0.03 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.49 2jy9 s LYS 115 Cb -0.01 0.39 0.03 0.00 -1.51 0.00 0.00 37.83 36.73 2jy9 s LYS 115 CO -0.11 -0.13 0.36 -1.21 -0.36 0.00 0.00 175.35 173.90 2jy9 s GLU 116 N 2.11 0.43 -0.08 4.03 0.41 -1.26 -5.11 118.70 119.23 2jy9 s GLU 116 Ca -0.07 0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.81 2jy9 s GLU 116 Cb -0.07 0.21 0.03 0.00 -1.78 0.00 0.00 34.13 32.53 2jy9 s GLU 116 CO -0.18 -0.06 0.35 0.50 -0.49 0.00 0.00 175.26 175.39 2jy9 s ARG 117 N 0.09 0.55 0.00 1.61 3.52 -1.26 -5.17 118.95 118.29 2jy9 s ARG 117 Ca -0.01 0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 2jy9 s ARG 117 Cb -0.03 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.61 2jy9 s ARG 117 CO 0.01 -0.12 0.03 0.50 -0.81 0.00 0.00 175.30 174.91 2jy9 s ARG 118 N -0.51 0.25 -0.28 5.12 3.52 -1.26 -5.16 118.95 120.63 2jy9 s ARG 118 Ca -0.06 -0.33 -0.16 0.00 -0.13 0.00 0.00 55.73 55.05 2jy9 s ARG 118 Cb -0.04 0.09 0.09 0.00 -1.56 0.00 0.00 34.95 33.54 2jy9 s ARG 118 CO 0.02 -0.05 0.75 -1.17 -0.81 0.00 0.00 175.30 174.05 2jy9 s LEU 119 N -0.90 -0.85 -0.29 -0.88 2.96 -1.26 -5.16 118.68 112.30 2jy9 s LEU 119 Ca -0.10 1.37 -0.15 0.00 -0.22 0.00 0.00 54.13 55.03 2jy9 s LEU 119 Cb -0.06 2.25 0.15 0.00 0.50 0.00 0.00 46.19 49.03 2jy9 s LEU 119 CO -0.00 -0.22 0.90 -0.55 -1.32 0.00 0.00 176.35 175.17 2jy9 s SER 120 N 1.54 -0.68 -0.30 3.68 0.15 -1.26 -5.15 113.70 111.68 2jy9 s SER 120 Ca -0.09 0.99 -0.15 0.00 0.70 0.00 0.00 55.95 57.39 2jy9 s SER 120 Cb -0.05 1.59 0.18 0.00 -1.71 0.00 0.00 66.02 66.03 2jy9 s SER 120 CO -0.18 -0.14 1.15 -0.94 1.20 0.00 0.00 173.24 174.32 2jy9 s SER 121 N 2.09 -0.24 -0.30 5.45 1.04 -1.26 -5.16 113.70 115.33 2jy9 s SER 121 Ca -0.06 0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 2jy9 s SER 121 Cb -0.06 1.19 0.16 0.00 0.10 0.00 0.00 66.02 67.41 2jy9 s SER 121 CO -0.17 -0.04 1.01 -0.75 0.98 0.00 0.00 173.24 174.27 2jy9 s LYS 122 N 2.98 0.29 -0.21 4.02 2.36 -1.26 -5.17 119.74 122.75 2jy9 s LYS 122 Ca 0.01 0.65 -0.13 0.00 -2.55 0.00 0.00 55.97 53.96 2jy9 s LYS 122 Cb -0.07 0.31 0.06 0.00 -1.05 0.00 0.00 37.83 37.08 2jy9 s LYS 122 CO -0.12 -0.09 0.51 0.00 1.55 0.00 0.00 175.35 177.21 2jy9 s ALA 123 N 2.10 -1.34 -0.13 3.13 0.00 -1.26 -5.17 121.76 119.10 2jy9 s ALA 123 Ca -0.04 1.80 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 2jy9 s ALA 123 Cb -0.05 -1.07 0.05 0.00 0.00 0.00 0.00 23.12 22.04 2jy9 s ALA 123 CO -0.16 -0.30 0.51 -1.14 0.00 0.00 0.00 175.76 174.67 2jy9 s GLN 124 N 1.33 0.72 -0.16 0.00 0.74 -1.26 -5.17 119.66 115.86 2jy9 s GLN 124 Ca -0.08 0.43 -0.11 0.00 0.05 0.00 0.00 55.36 55.64 2jy9 s GLN 124 Cb -0.07 0.34 0.05 0.00 1.10 0.00 0.00 33.01 34.44 2jy9 s GLN 124 CO -0.13 -0.15 0.40 0.21 -0.55 0.00 0.00 175.29 175.07 2jy9 s LYS 125 N -0.40 0.41 -0.20 1.67 2.36 -1.26 -5.16 119.74 117.17 2jy9 s LYS 125 Ca -0.05 0.70 -0.12 0.00 -2.55 0.00 0.00 55.97 53.94 2jy9 s LYS 125 Cb -0.03 0.07 0.06 0.00 -1.05 0.00 0.00 37.83 36.88 2jy9 s LYS 125 CO 0.04 -0.12 0.49 -1.12 1.55 0.00 0.00 175.35 176.19 2jy9 s SER 126 N 0.96 -0.63 -0.28 1.43 0.01 -1.26 -5.16 113.70 108.77 2jy9 s SER 126 Ca -0.06 1.07 -0.21 0.00 1.31 0.00 0.00 55.95 58.05 2jy9 s SER 126 Cb -0.06 0.96 0.09 0.00 0.21 0.00 0.00 66.02 67.21 2jy9 s SER 126 CO -0.08 -0.20 0.78 -0.94 0.41 0.00 0.00 173.24 173.21 2jy9 s SER 127 N 1.32 -0.75 -0.12 2.44 1.04 -1.26 -5.15 113.70 111.22 2jy9 s SER 127 Ca -0.09 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 57.65 2jy9 s SER 127 Cb -0.07 1.33 0.05 0.00 0.10 0.00 0.00 66.02 67.43 2jy9 s SER 127 CO -0.13 -0.22 0.05 0.68 0.98 0.00 0.00 173.24 174.60 2jy9 s VAL 128 N 0.88 0.17 -0.07 5.02 -7.23 -1.26 -5.14 120.40 112.77 2jy9 s VAL 128 Ca -0.04 -0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.12 2jy9 s VAL 128 Cb -0.05 -0.58 -0.00 0.00 0.56 0.00 0.00 36.38 36.31 2jy9 s VAL 128 CO -0.09 -0.03 -0.22 -0.54 -0.31 0.00 0.00 175.10 173.92 2jy9 s LYS 129 N 2.04 2.46 -0.03 4.82 -0.14 -1.26 -5.13 119.74 122.50 2jy9 s LYS 129 Ca 0.03 -0.78 -0.15 0.00 -1.36 0.00 0.00 55.97 53.71 2jy9 s LYS 129 Cb -0.14 -1.99 0.03 0.00 -1.68 0.00 0.00 37.83 34.04 2jy9 s LYS 129 CO -0.07 0.25 0.33 0.00 -0.76 0.00 0.00 175.35 175.10 2jy9 s ALA 130 N 0.14 -0.84 0.16 5.17 0.00 -1.26 -5.18 121.76 119.95 2jy9 s ALA 130 Ca -0.10 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 2jy9 s ALA 130 Cb -0.15 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2jy9 s ALA 130 CO 0.05 -0.25 0.47 -1.17 0.00 0.00 0.00 175.76 174.86 2jy9 s LEU 131 N -1.08 0.20 0.00 0.00 2.96 -1.26 -5.19 118.68 114.31 2jy9 s LEU 131 Ca -0.11 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 2jy9 s LEU 131 Cb -0.05 2.01 0.04 0.00 0.50 0.00 0.00 46.19 48.69 2jy9 s LEU 131 CO 0.04 -0.96 0.69 -2.11 -1.32 0.00 0.00 176.35 172.69 2jy9 n ARG 132 N -0.29 0.99 -3.93 1.98 1.85 -1.26 -5.19 116.66 110.80 2jy9 n ARG 132 Ca -0.13 -2.49 -0.10 0.00 -1.00 0.00 0.00 57.85 54.14 2jy9 n ARG 132 Cb 0.63 2.80 -0.02 0.00 -1.05 0.00 0.00 32.46 34.82 2jy9 n ARG 132 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2jy9 s GLY 133 N -3.14 0.55 -0.28 2.89 0.00 -1.26 -5.18 107.32 100.90 2jy9 s GLY 133 Ca 0.21 -0.85 -0.24 0.00 0.00 0.00 0.00 44.72 43.84 2jy9 s GLY 133 CO 0.16 -0.50 0.92 -1.59 0.00 0.00 0.00 173.10 172.08 2jy9 s LYS 134 N -3.29 0.61 -0.18 2.90 -2.85 -1.26 -5.18 119.74 110.48 2jy9 s LYS 134 Ca 0.20 0.76 -0.31 0.00 -1.00 0.00 0.00 55.97 55.61 2jy9 s LYS 134 Cb -0.03 0.28 0.14 0.00 -2.06 0.00 0.00 37.83 36.17 2jy9 s LYS 134 CO 0.12 -0.08 1.13 0.54 0.10 0.00 0.00 175.35 177.16 2jy9 s VAL 135 N 0.40 0.00 0.08 1.79 0.11 -1.26 -5.19 120.40 116.33 2jy9 s VAL 135 Ca 0.01 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 2jy9 s VAL 135 Cb -0.05 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.84 2jy9 s VAL 135 CO -0.05 0.00 0.44 0.00 -3.33 0.00 0.00 175.10 172.16 2jy9 s ARG 136 N -1.64 1.02 -0.39 1.54 1.70 -1.26 -5.14 118.95 114.79 2jy9 s ARG 136 Ca 0.05 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 2jy9 s ARG 136 Cb -0.01 0.46 0.19 0.00 -0.57 0.00 0.00 34.95 35.02 2jy9 s ARG 136 CO -0.04 -0.38 0.84 0.50 -1.08 0.00 0.00 175.30 175.15 2jy9 s ARG 137 N -2.99 0.55 -0.18 3.89 3.52 -1.26 -5.15 118.95 117.34 2jy9 s ARG 137 Ca -0.02 -0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 2jy9 s ARG 137 Cb 0.00 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 2jy9 s ARG 137 CO -0.06 -0.77 0.30 -1.25 -0.81 0.00 0.00 175.30 172.71 2jy9 s PRO 138 N 1.68 4.21 -0.11 5.12 0.04 -1.26 -5.08 135.00 139.60 2jy9 s PRO 138 Ca 0.18 0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.23 2jy9 s PRO 138 Cb 0.01 -3.47 0.04 0.00 0.04 0.00 0.00 34.50 31.12 2jy9 s PRO 138 CO -0.10 0.14 0.26 -1.17 0.04 0.00 0.00 177.00 176.16 2jy9 s LEU 139 N 0.78 0.49 0.21 -3.56 2.96 -1.26 -5.16 118.68 113.14 2jy9 s LEU 139 Ca 0.16 0.54 0.08 0.00 -0.22 0.00 0.00 54.13 54.69 2jy9 s LEU 139 Cb -0.13 0.80 -0.05 0.00 0.50 0.00 0.00 46.19 47.30 2jy9 s LEU 139 CO 0.05 -0.15 -0.15 1.51 -1.32 0.00 0.00 176.35 176.29 2jy9 s ASP 140 N 1.08 2.61 -0.03 3.68 1.47 -1.26 -5.15 116.67 119.07 2jy9 s ASP 140 Ca -0.08 -1.01 0.02 0.00 1.18 0.00 0.00 52.55 52.66 2jy9 s ASP 140 Cb -0.09 -0.14 0.01 0.00 -0.34 0.00 0.00 42.92 42.36 2jy9 s ASP 140 CO -0.07 -0.15 -0.06 -0.22 0.68 0.00 0.00 175.17 175.35 2jy9 s LEU 141 N -3.29 1.62 0.96 2.11 1.98 -1.26 -5.15 118.68 115.65 2jy9 s LEU 141 Ca 0.22 -0.13 -0.16 0.00 -2.89 0.00 0.00 54.13 51.17 2jy9 s LEU 141 Cb -0.01 -0.42 0.20 0.00 0.66 0.00 0.00 46.19 46.62 2jy9 s LEU 141 CO 0.07 0.01 1.32 -1.61 -1.89 0.00 0.00 176.35 174.25 2jy9 s GLU 142 N 0.46 0.65 -0.11 1.98 0.41 -1.26 -5.11 118.70 115.72 2jy9 s GLU 142 Ca -0.06 -0.39 -0.10 0.00 -0.41 0.00 0.00 54.97 54.01 2jy9 s GLU 142 Cb -0.10 -1.85 0.03 0.00 -1.78 0.00 0.00 34.13 30.44 2jy9 s GLU 142 CO 0.00 -2.41 0.29 -3.38 -0.49 0.00 0.00 175.26 169.27 2jy9 s HIS 143 N -3.87 -0.32 -0.42 1.61 -3.43 -1.26 -5.10 115.29 102.50 2jy9 s HIS 143 Ca 0.74 0.78 0.02 0.00 -0.80 0.00 0.00 55.06 55.80 2jy9 s HIS 143 Cb -0.04 0.11 0.15 0.00 -1.43 0.00 0.00 32.58 31.37 2jy9 s HIS 143 CO 0.53 -0.16 0.27 -1.58 -2.00 0.00 0.00 174.74 171.80 2jy9 s HIS 144 N 0.17 1.41 -0.61 0.38 2.46 -1.26 -5.08 115.29 112.77 2jy9 s HIS 144 Ca -0.00 -2.16 -0.16 0.00 0.47 0.00 0.00 55.06 53.21 2jy9 s HIS 144 Cb -0.02 -1.36 0.14 0.00 -0.13 0.00 0.00 32.58 31.21 2jy9 s HIS 144 CO 0.00 -0.79 0.59 -1.58 -2.47 0.00 0.00 174.74 170.49 2jy9 s HIS 145 N 0.45 3.31 -0.09 3.88 5.04 -1.26 -5.04 115.29 121.59 2jy9 s HIS 145 Ca 0.21 -1.38 -0.24 0.00 -1.54 0.00 0.00 55.06 52.11 2jy9 s HIS 145 Cb -0.17 -3.84 -0.03 0.00 0.04 0.00 0.00 32.58 28.58 2jy9 s HIS 145 CO -0.05 -1.06 0.75 -1.58 -2.34 0.00 0.00 174.74 170.46 2jy9 s HIS 146 N 1.49 3.54 0.04 3.88 2.46 -1.26 -5.01 115.29 120.43 2jy9 s HIS 146 Ca 0.08 1.28 -0.30 0.00 0.47 0.00 0.00 55.06 56.58 2jy9 s HIS 146 Cb -0.25 -2.87 -0.09 0.00 -0.13 0.00 0.00 32.58 29.24 2jy9 s HIS 146 CO 0.01 0.00 1.98 1.58 -2.47 0.00 0.00 174.74 175.84 2jy9 n HIS 147 N 4.13 2.52 -0.22 3.88 -0.00 -1.26 -5.36 115.22 118.91 2jy9 n HIS 147 Ca 0.01 -0.39 0.00 0.00 0.46 0.00 0.00 57.72 57.80 2jy9 n HIS 147 Cb 0.51 -2.81 0.00 0.00 -0.12 0.00 0.00 29.99 27.57 2jy9 n HIS 147 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38