#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 4.77 -0.54 1.12 1.09 -0.24 -4.91 121.20 122.50 2jy9 s ILE 2 Ca 0.00 -1.12 -0.18 0.00 -1.10 0.00 0.00 60.65 58.24 2jy9 s ILE 2 Cb 0.00 -4.59 0.08 0.00 -1.06 0.00 0.00 42.46 36.90 2jy9 s ILE 2 CO 0.00 -1.26 0.63 0.00 -0.10 0.00 0.00 174.94 174.21 2jy9 s ALA 3 N 2.73 3.43 0.44 9.38 0.00 -1.26 -0.27 121.76 136.21 2jy9 s ALA 3 Ca 0.18 -2.05 -0.12 0.00 0.00 0.00 0.00 51.96 49.97 2jy9 s ALA 3 Cb -0.18 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 2jy9 s ALA 3 CO 0.02 -2.13 0.84 0.42 0.00 0.00 0.00 175.76 174.91 2jy9 s ILE 4 N 2.49 4.70 0.92 0.00 -1.09 -0.48 -5.00 121.20 122.74 2jy9 s ILE 4 Ca 0.12 0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 59.23 2jy9 s ILE 4 Cb -0.23 -3.73 0.14 0.00 -1.58 0.00 0.00 42.46 37.07 2jy9 s ILE 4 CO 0.08 -0.57 1.11 -0.44 -1.23 0.00 0.00 174.94 173.89 2jy9 s SER 5 N -3.12 3.35 0.00 3.58 0.01 -1.26 -4.06 113.70 112.20 2jy9 s SER 5 Ca 0.54 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.99 2jy9 s SER 5 Cb -0.10 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2jy9 s SER 5 CO 0.31 -2.68 0.00 -1.14 0.41 0.00 0.00 173.24 170.14 2jy9 n ARG 6 N -3.88 0.00 -0.46 12.44 0.63 -1.26 -3.15 116.66 120.98 2jy9 n ARG 6 Ca 0.06 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2jy9 n ARG 6 Cb 0.57 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.48 2jy9 n ARG 6 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2jy9 n THR 7 N 0.00 0.00 -4.77 5.15 5.66 -1.26 -5.13 114.28 113.93 2jy9 n THR 7 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 2jy9 n THR 7 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 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 0.00 2.14 -0.00 1.08 1.01 -1.19 -5.08 120.40 118.36 2jy9 s VAL 8 Ca 0.00 -1.47 -0.22 0.00 0.00 0.00 0.00 61.98 60.29 2jy9 s VAL 8 Cb 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.58 2jy9 s VAL 8 CO 0.00 0.29 0.48 -0.44 0.00 0.00 0.00 175.10 175.43 2jy9 s SER 9 N -1.44 -0.39 -0.02 3.32 0.01 -1.26 -1.38 113.70 112.54 2jy9 s SER 9 Ca 0.12 0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.71 2jy9 s SER 9 Cb -0.10 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 2jy9 s SER 9 CO 0.03 -0.58 -0.18 -0.63 0.41 0.00 0.00 173.24 172.29 2jy9 s ILE 10 N -1.70 1.43 0.52 1.44 1.09 0.63 -4.95 121.20 119.65 2jy9 s ILE 10 Ca -0.10 -0.76 -0.22 0.00 -1.10 0.00 0.00 60.65 58.47 2jy9 s ILE 10 Cb -0.02 -1.19 -0.06 0.00 -1.06 0.00 0.00 42.46 40.13 2jy9 s ILE 10 CO 0.04 0.40 1.30 0.00 -0.10 0.00 0.00 174.94 176.58 2jy9 s ALA 11 N -0.36 2.85 0.17 9.38 0.00 -1.26 -1.07 121.76 131.47 2jy9 s ALA 11 Ca 0.05 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 2jy9 s ALA 11 Cb -0.08 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.61 2jy9 s ALA 11 CO -0.00 -1.16 1.75 0.22 0.00 0.00 0.00 175.76 176.57 2jy9 h ASP 12 N 1.61 0.78 -0.27 0.00 3.58 -1.94 -2.62 116.42 117.55 2jy9 h ASP 12 Ca -0.50 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2jy9 h ASP 12 Cb 1.28 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2jy9 h ASP 12 CO 0.58 0.70 0.00 -3.20 -2.88 0.00 0.00 179.24 174.44 2jy9 n ASN 13 N -4.52 1.52 -0.44 2.28 5.15 -1.26 -3.30 115.26 114.69 2jy9 n ASN 13 Ca 0.04 -2.01 0.14 0.00 -0.60 0.00 0.00 54.58 52.14 2jy9 n ASN 13 Cb 0.13 -0.20 0.53 0.00 -0.53 0.00 0.00 39.78 39.71 2jy9 n ASN 13 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jy9 n GLU 14 N 0.31 1.56 -2.83 1.20 1.02 -0.99 -4.89 120.64 116.01 2jy9 n GLU 14 Ca 0.09 -0.89 -0.36 0.00 -0.02 0.00 0.00 57.16 55.99 2jy9 n GLU 14 Cb 0.24 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 2jy9 n GLU 14 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jy9 s LEU 15 N -2.05 4.25 -0.36 -4.62 1.43 -1.21 -5.03 118.68 111.09 2jy9 s LEU 15 Ca 0.37 1.75 -0.18 0.00 -1.03 0.00 0.00 54.13 55.03 2jy9 s LEU 15 Cb 0.21 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2jy9 s LEU 15 CO 0.35 -0.12 0.53 -1.61 0.23 0.00 0.00 176.35 175.73 2jy9 s GLU 16 N -2.31 3.57 -0.28 1.70 0.41 -1.25 -5.04 118.70 115.50 2jy9 s GLU 16 Ca 0.52 -0.19 -0.06 0.00 -0.41 0.00 0.00 54.97 54.84 2jy9 s GLU 16 Cb -0.16 -3.83 0.01 0.00 -1.78 0.00 0.00 34.13 28.37 2jy9 s GLU 16 CO 0.21 -0.69 0.05 0.42 -0.49 0.00 0.00 175.26 174.76 2jy9 s ILE 17 N 2.44 3.72 0.10 -1.63 -1.09 -1.26 -2.48 121.20 121.00 2jy9 s ILE 17 Ca 0.19 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.90 2jy9 s ILE 17 Cb -0.15 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 2jy9 s ILE 17 CO 0.14 0.10 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.98 2jy9 s THR 18 N 1.46 3.53 0.14 2.92 2.01 0.18 -5.01 115.64 120.87 2jy9 s THR 18 Ca 0.02 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 60.79 2jy9 s THR 18 Cb -0.17 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 2jy9 s THR 18 CO 0.01 0.12 0.36 0.00 -0.69 0.00 0.00 174.62 174.42 2jy9 s ALA 19 N -1.23 3.82 -0.18 7.40 0.00 -1.26 -2.19 121.76 128.12 2jy9 s ALA 19 Ca 0.22 -0.63 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 2jy9 s ALA 19 Cb -0.11 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2jy9 s ALA 19 CO 0.15 0.66 0.05 0.42 0.00 0.00 0.00 175.76 177.04 2jy9 s ILE 20 N -1.67 4.69 -0.02 0.00 1.01 -1.26 -4.95 121.20 118.99 2jy9 s ILE 20 Ca 0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.93 2jy9 s ILE 20 Cb -0.12 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 2jy9 s ILE 20 CO 0.26 0.46 0.38 -0.09 0.00 0.00 0.00 174.94 175.94 2jy9 h ARG 21 N 6.74 -0.18 -5.59 2.79 2.43 -1.97 -3.40 114.38 115.19 2jy9 h ARG 21 Ca -0.36 0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.19 2jy9 h ARG 21 Cb 1.17 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.64 2jy9 h ARG 21 CO 0.69 -0.12 -0.54 0.00 -1.51 0.00 0.00 179.97 178.49 2jy9 s ALA 22 N -3.27 3.58 -0.23 2.80 0.00 -1.26 -4.71 121.76 118.67 2jy9 s ALA 22 Ca -0.03 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.02 2jy9 s ALA 22 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2jy9 s ALA 22 CO 0.08 -0.12 0.78 -0.65 0.00 0.00 0.00 175.76 175.85 2jy9 s GLN 23 N -3.82 4.18 -0.41 0.00 -0.21 -1.26 -4.94 119.66 113.20 2jy9 s GLN 23 Ca 0.28 0.85 -0.06 0.00 0.02 0.00 0.00 55.36 56.45 2jy9 s GLN 23 Cb 0.06 -3.63 -0.11 0.00 1.00 0.00 0.00 33.01 30.33 2jy9 s GLN 23 CO 0.15 -0.45 3.18 0.41 -2.12 0.00 0.00 175.29 176.45 2jy9 n GLY 24 N 3.80 3.75 3.15 3.09 0.00 -1.26 -4.65 105.19 113.07 2jy9 n GLY 24 Ca 0.04 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.57 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 0.03 -2.67 -0.59 4.61 0.00 -1.26 -5.12 121.76 116.75 2jy9 s ALA 25 Ca 0.64 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.84 2jy9 s ALA 25 Cb 0.32 -2.44 0.11 0.00 0.00 0.00 0.00 23.12 21.11 2jy9 s ALA 25 CO -0.09 -1.64 0.69 0.20 0.00 0.00 0.00 175.76 174.93 2jy9 s GLY 26 N 2.87 1.81 0.00 0.00 0.00 -1.26 -4.25 107.32 106.49 2jy9 s GLY 26 Ca 0.15 -2.28 0.00 0.00 0.00 0.00 0.00 44.72 42.59 2jy9 s GLY 26 CO -0.22 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.04 2jy9 n GLY 27 N 5.27 1.50 3.94 0.20 0.00 -1.26 -5.15 105.19 109.69 2jy9 n GLY 27 Ca -0.09 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2jy9 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jy9 s GLN 28 N 0.00 0.96 0.10 1.61 -0.21 -1.26 -4.97 119.66 115.89 2jy9 s GLN 28 Ca 0.00 -0.52 -0.33 0.00 0.02 0.00 0.00 55.36 54.53 2jy9 s GLN 28 Cb 0.00 -1.95 -0.13 0.00 1.00 0.00 0.00 33.01 31.93 2jy9 s GLN 28 CO 0.00 -2.15 1.70 -2.39 -2.12 0.00 0.00 175.29 170.32 2jy9 n HIS 29 N -3.54 2.37 -4.37 0.91 1.44 -1.26 -4.97 115.22 105.80 2jy9 n HIS 29 Ca 0.15 0.13 -0.34 0.00 -2.01 0.00 0.00 57.72 55.64 2jy9 n HIS 29 Cb 0.60 -2.61 -0.11 0.00 0.12 0.00 0.00 29.99 28.00 2jy9 n HIS 29 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2jy9 s VAL 30 N 1.95 4.17 -0.04 0.61 1.01 -1.26 -5.10 120.40 121.74 2jy9 s VAL 30 Ca 0.82 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 2jy9 s VAL 30 Cb -0.64 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 32.99 2jy9 s VAL 30 CO 0.41 0.55 0.43 0.54 0.00 0.00 0.00 175.10 177.03 2jy9 s ASN 31 N -0.34 -0.35 -1.17 3.32 6.03 -1.26 -5.09 114.94 116.08 2jy9 s ASN 31 Ca 0.06 0.34 -0.12 0.00 -1.03 0.00 0.00 52.86 52.12 2jy9 s ASN 31 Cb -0.12 0.44 0.21 0.00 -3.03 0.00 0.00 41.25 38.75 2jy9 s ASN 31 CO 0.02 -0.46 1.30 -0.54 -2.03 0.00 0.00 177.10 175.39 2jy9 s LYS 32 N -1.13 4.13 -0.23 3.55 3.01 -1.26 -4.79 119.74 123.03 2jy9 s LYS 32 Ca -0.11 -2.83 -0.13 0.00 -1.01 0.00 0.00 55.97 51.89 2jy9 s LYS 32 Cb -0.04 -4.86 0.07 0.00 -1.01 0.00 0.00 37.83 32.00 2jy9 s LYS 32 CO 0.05 -1.55 0.56 0.99 0.51 0.00 0.00 175.35 175.91 2jy9 s THR 33 N 0.44 -0.06 -1.18 2.17 2.01 -1.26 -5.08 115.64 112.67 2jy9 s THR 33 Ca 0.38 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 2jy9 s THR 33 Cb -0.06 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.68 2jy9 s THR 33 CO -0.03 0.02 1.69 -0.44 -0.69 0.00 0.00 174.62 175.17 2jy9 s SER 34 N 1.60 6.44 0.00 3.53 0.01 -1.26 -4.59 113.70 119.43 2jy9 s SER 34 Ca -0.09 -1.97 0.18 0.00 1.31 0.00 0.00 55.95 55.37 2jy9 s SER 34 Cb -0.07 -2.58 0.50 0.00 0.21 0.00 0.00 66.02 64.09 2jy9 s SER 34 CO -0.17 -1.58 1.42 -1.54 0.41 0.00 0.00 173.24 171.79 2jy9 n SER 35 N 9.55 3.53 -4.45 2.44 3.41 -1.26 -4.94 113.62 121.89 2jy9 n SER 35 Ca 0.43 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.72 2jy9 n SER 35 Cb 0.48 -0.38 -0.13 0.00 -0.26 0.00 0.00 64.21 63.92 2jy9 n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jy9 s ALA 36 N -1.01 2.77 -0.20 7.33 0.00 -1.26 -4.61 121.76 124.78 2jy9 s ALA 36 Ca 0.38 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 2jy9 s ALA 36 Cb 0.20 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2jy9 s ALA 36 CO 0.26 0.34 0.13 0.42 0.00 0.00 0.00 175.76 176.91 2jy9 s ILE 37 N 0.01 5.35 -0.25 0.00 -1.09 -0.11 -4.12 121.20 120.99 2jy9 s ILE 37 Ca -0.02 0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.58 2jy9 s ILE 37 Cb -0.14 -3.44 0.05 0.00 -1.58 0.00 0.00 42.46 37.34 2jy9 s ILE 37 CO 0.04 0.43 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.79 2jy9 s HIS 38 N 0.42 3.16 0.10 3.97 5.65 -0.93 0.06 115.29 127.72 2jy9 s HIS 38 Ca 0.08 -2.07 0.08 0.00 0.25 0.00 0.00 55.06 53.40 2jy9 s HIS 38 Cb -0.11 -1.96 -0.03 0.00 -1.18 0.00 0.00 32.58 29.29 2jy9 s HIS 38 CO -0.01 -0.84 -0.20 -0.48 -0.65 0.00 0.00 174.74 172.55 2jy9 s LEU 39 N 1.18 2.30 -0.01 8.88 2.34 -0.03 0.51 118.68 133.84 2jy9 s LEU 39 Ca -0.05 -0.68 0.05 0.00 0.06 0.00 0.00 54.13 53.52 2jy9 s LEU 39 Cb -0.18 -0.85 -0.01 0.00 -0.56 0.00 0.00 46.19 44.58 2jy9 s LEU 39 CO -0.06 0.05 -0.17 0.00 -1.06 0.00 0.00 176.35 175.11 2jy9 s ARG 40 N -1.88 1.35 -0.16 1.48 1.70 -1.03 -0.60 118.95 119.81 2jy9 s ARG 40 Ca 0.06 -0.61 -0.02 0.00 -0.47 0.00 0.00 55.73 54.68 2jy9 s ARG 40 Cb -0.10 -1.31 0.05 0.00 -0.57 0.00 0.00 34.95 33.02 2jy9 s ARG 40 CO 0.04 0.36 0.02 0.12 -1.08 0.00 0.00 175.30 174.76 2jy9 s PHE 41 N -0.41 0.95 0.30 5.89 5.36 0.88 -3.87 117.98 127.07 2jy9 s PHE 41 Ca 0.06 -0.68 0.09 0.00 -0.96 0.00 0.00 56.93 55.44 2jy9 s PHE 41 Cb -0.07 -0.98 -0.04 0.00 -0.34 0.00 0.00 43.02 41.60 2jy9 s PHE 41 CO -0.01 -0.54 0.07 0.16 -1.46 0.00 0.00 175.22 173.44 2jy9 s ASP 42 N 1.88 4.66 0.21 6.13 -4.77 -1.26 -0.38 116.67 123.14 2jy9 s ASP 42 Ca 0.01 -0.67 -0.10 0.00 -3.30 0.00 0.00 52.55 48.49 2jy9 s ASP 42 Cb -0.16 -0.84 0.24 0.00 -1.09 0.00 0.00 42.92 41.08 2jy9 s ASP 42 CO -0.07 -0.12 1.79 0.40 0.70 0.00 0.00 175.17 177.87 2jy9 h ILE 43 N 1.73 0.93 0.00 2.11 2.04 -1.87 -2.18 117.51 120.26 2jy9 h ILE 43 Ca -0.44 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2jy9 h ILE 43 Cb 1.25 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2jy9 h ILE 43 CO 0.62 0.11 0.00 0.54 0.00 0.00 0.00 178.15 179.42 2jy9 n ARG 44 N -4.83 0.13 0.00 2.37 3.00 -1.26 -1.67 116.66 114.39 2jy9 n ARG 44 Ca 0.08 0.41 0.15 0.00 -0.01 0.00 0.00 57.85 58.48 2jy9 n ARG 44 Cb 0.19 -1.77 0.76 0.00 0.00 0.00 0.00 32.46 31.65 2jy9 n ARG 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jy9 n ALA 45 N -1.69 2.48 -3.00 7.54 0.00 -0.82 -4.90 120.51 120.12 2jy9 n ALA 45 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2jy9 n ALA 45 Cb 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.27 0.00 -3.02 0.00 2.88 -0.67 -5.03 113.62 106.51 2jy9 n SER 46 Ca 0.15 -0.38 -0.26 0.00 -1.33 0.00 0.00 58.87 57.04 2jy9 n SER 46 Cb 0.23 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 2jy9 n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jy9 n GLY 47 N 0.00 5.27 3.77 0.46 0.00 -1.26 -4.95 105.19 108.48 2jy9 n GLY 47 Ca 0.00 -2.65 -0.39 0.00 0.00 0.00 0.00 46.02 42.98 2jy9 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jy9 s LEU 48 N -3.23 4.14 0.45 0.99 1.43 -1.26 -4.97 118.68 116.22 2jy9 s LEU 48 Ca 0.47 2.56 -0.25 0.00 -1.03 0.00 0.00 54.13 55.88 2jy9 s LEU 48 Cb 0.27 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 2jy9 s LEU 48 CO -0.12 -0.91 1.36 -2.84 0.23 0.00 0.00 176.35 174.07 2jy9 s PRO 49 N -2.40 3.73 0.53 1.29 0.02 -1.26 -4.81 135.00 132.10 2jy9 s PRO 49 Ca 0.60 2.27 0.19 0.00 0.02 0.00 0.00 61.00 64.07 2jy9 s PRO 49 Cb -0.36 -2.63 1.36 0.00 0.02 0.00 0.00 34.50 32.89 2jy9 s PRO 49 CO 0.45 -0.73 2.16 1.05 -0.33 0.00 0.00 177.00 179.59 2jy9 h GLU 50 N 2.34 0.00 -0.36 5.54 4.11 -1.98 -0.12 114.58 124.11 2jy9 h GLU 50 Ca -0.50 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 2jy9 h GLU 50 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2jy9 h GLU 50 CO 0.61 0.00 0.11 1.88 0.07 0.00 0.00 179.01 181.68 2jy9 h TYR 51 N 0.00 0.52 0.17 2.06 0.05 -2.00 0.17 116.97 117.95 2jy9 h TYR 51 Ca 0.01 -0.02 -0.26 0.00 0.05 0.00 0.00 58.73 58.51 2jy9 h TYR 51 Cb 0.06 -0.16 0.02 0.00 1.01 0.00 0.00 36.73 37.66 2jy9 h TYR 51 CO 0.00 0.44 -1.19 1.88 -1.05 0.00 0.00 178.16 178.25 2jy9 h TYR 52 N 0.52 0.66 -0.71 4.88 -1.99 -1.45 -3.25 116.97 115.64 2jy9 h TYR 52 Ca 0.12 -0.49 0.06 0.00 2.00 0.00 0.00 58.73 60.43 2jy9 h TYR 52 Cb 0.17 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 38.81 2jy9 h TYR 52 CO 0.01 1.46 0.40 -0.22 -0.00 0.00 0.00 178.16 179.81 2jy9 h LYS 53 N -0.18 0.72 -0.31 4.88 3.11 -0.66 -1.03 116.57 123.10 2jy9 h LYS 53 Ca -0.22 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.55 2jy9 h LYS 53 Cb 1.85 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.90 2jy9 h LYS 53 CO 0.17 0.48 0.10 1.96 -2.81 0.00 0.00 179.45 179.35 2jy9 h GLN 54 N 0.74 0.48 0.00 1.90 1.08 -0.82 -2.91 115.11 115.59 2jy9 h GLN 54 Ca 0.31 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 2jy9 h GLN 54 Cb 0.18 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2jy9 h GLN 54 CO -0.18 0.52 -0.15 0.00 -0.95 0.00 0.00 178.83 178.07 2jy9 h ARG 55 N 0.35 0.00 -0.14 1.46 3.08 -1.45 -1.84 114.38 115.84 2jy9 h ARG 55 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2jy9 h ARG 55 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2jy9 h ARG 55 CO -0.00 0.15 0.04 -0.07 -1.07 0.00 0.00 179.97 179.02 2jy9 h LEU 56 N 0.00 0.17 0.00 3.04 3.38 -0.99 -0.51 115.31 120.40 2jy9 h LEU 56 Ca -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2jy9 h LEU 56 Cb 0.45 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jy9 h LEU 56 CO 0.02 0.18 -1.29 0.18 0.09 0.00 0.00 178.44 177.62 2jy9 n LEU 57 N -4.46 0.75 0.05 1.67 4.77 -0.72 -4.27 117.00 114.79 2jy9 n LEU 57 Ca -0.01 0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 56.06 2jy9 n LEU 57 Cb 0.12 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 2jy9 n LEU 57 CO 0.35 -0.03 -0.59 0.71 -1.33 0.00 0.00 177.39 176.49 2jy9 h THR 58 N 0.00 0.87 -3.21 -5.08 1.35 -1.18 -3.41 112.91 102.24 2jy9 h THR 58 Ca -0.07 -2.50 -0.76 0.00 -0.55 0.00 0.00 66.41 62.53 2jy9 h THR 58 Cb 1.24 2.68 -0.23 0.00 -1.73 0.00 0.00 68.15 70.11 2jy9 h THR 58 CO 0.02 0.86 0.49 0.00 -0.25 0.00 0.00 175.52 176.63 2jy9 s ALA 59 N -2.58 3.96 0.22 6.62 0.00 -0.23 -5.02 121.76 124.73 2jy9 s ALA 59 Ca -0.17 -3.24 -0.32 0.00 0.00 0.00 0.00 51.96 48.24 2jy9 s ALA 59 Cb 0.06 -3.74 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 2jy9 s ALA 59 CO 0.83 -2.52 1.68 -1.12 0.00 0.00 0.00 175.76 174.63 2jy9 s SER 60 N 2.54 6.40 0.07 0.00 0.01 -1.26 -4.86 113.70 116.60 2jy9 s SER 60 Ca 0.27 2.85 0.01 0.00 1.31 0.00 0.00 55.95 60.39 2jy9 s SER 60 Cb -0.08 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2jy9 s SER 60 CO -0.08 -0.94 -0.05 -1.00 0.41 0.00 0.00 173.24 171.57 2jy9 s HIS 61 N 0.95 0.69 -2.00 2.43 3.76 -1.26 -4.16 115.29 115.70 2jy9 s HIS 61 Ca 0.72 -0.92 0.14 0.00 -0.15 0.00 0.00 55.06 54.85 2jy9 s HIS 61 Cb -0.49 -0.44 0.84 0.00 1.11 0.00 0.00 32.58 33.60 2jy9 s HIS 61 CO 0.35 -0.24 1.26 -2.39 -0.85 0.00 0.00 174.74 172.87 2jy9 n HIS 62 N 0.22 0.00 0.76 1.40 1.44 -1.26 -1.35 115.22 116.43 2jy9 n HIS 62 Ca -0.14 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.65 2jy9 n HIS 62 Cb 0.60 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.65 2jy9 n HIS 62 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2jy9 n LEU 63 N -0.98 1.06 -4.76 2.39 4.77 -1.26 -4.96 117.00 113.26 2jy9 n LEU 63 Ca 0.11 -0.58 -0.39 0.00 -0.03 0.00 0.00 56.01 55.11 2jy9 n LEU 63 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2jy9 n LEU 63 CO 0.08 0.23 0.26 -0.63 -1.33 0.00 0.00 177.39 176.00 2jy9 s ILE 64 N -2.36 4.96 -0.09 -0.08 -1.09 -0.46 0.42 121.20 122.50 2jy9 s ILE 64 Ca 0.09 1.17 -0.06 0.00 -2.23 0.00 0.00 60.65 59.62 2jy9 s ILE 64 Cb 0.13 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 2jy9 s ILE 64 CO 0.59 0.42 -0.12 -1.20 -1.23 0.00 0.00 174.94 173.40 2jy9 n SER 65 N 2.78 1.13 0.00 3.58 7.64 -1.09 -4.79 113.62 122.88 2jy9 n SER 65 Ca -0.07 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2jy9 n SER 65 Cb 0.51 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2jy9 n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jy9 n ASP 66 N -3.73 0.00 -3.64 6.43 2.03 -1.22 -0.62 116.55 115.80 2jy9 n ASP 66 Ca -0.05 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.85 2jy9 n ASP 66 Cb 0.18 0.20 0.02 0.00 -0.72 0.00 0.00 41.12 40.79 2jy9 n ASP 66 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jy9 n ASP 67 N -1.64 7.37 -1.57 1.67 2.03 -1.26 -4.71 116.55 118.44 2jy9 n ASP 67 Ca 0.00 -3.65 -0.09 0.00 0.52 0.00 0.00 54.79 51.57 2jy9 n ASP 67 Cb 0.00 -1.18 0.03 0.00 -0.72 0.00 0.00 41.12 39.24 2jy9 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jy9 n GLY 68 N 0.08 0.34 3.31 0.27 0.00 -1.26 -4.87 105.19 103.06 2jy9 n GLY 68 Ca 0.47 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.02 2.00 -0.24 1.61 0.11 -1.26 -2.97 120.40 116.62 2jy9 s VAL 69 Ca 0.19 -1.21 -0.04 0.00 -2.93 0.00 0.00 61.98 58.00 2jy9 s VAL 69 Cb -0.08 -1.69 0.01 0.00 -1.53 0.00 0.00 36.38 33.09 2jy9 s VAL 69 CO 0.24 0.44 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.79 2jy9 s ILE 70 N -0.69 3.31 -0.23 7.04 1.09 0.49 -2.66 121.20 129.53 2jy9 s ILE 70 Ca 0.10 -0.71 -0.06 0.00 -1.10 0.00 0.00 60.65 58.88 2jy9 s ILE 70 Cb -0.10 -2.60 -0.02 0.00 -1.06 0.00 0.00 42.46 38.68 2jy9 s ILE 70 CO 0.01 0.28 0.03 -0.63 -0.10 0.00 0.00 174.94 174.53 2jy9 s ILE 71 N 1.43 4.03 -0.11 2.92 1.09 0.17 -0.08 121.20 130.65 2jy9 s ILE 71 Ca 0.03 -0.27 0.01 0.00 -1.10 0.00 0.00 60.65 59.33 2jy9 s ILE 71 Cb -0.16 -2.86 -0.01 0.00 -1.06 0.00 0.00 42.46 38.37 2jy9 s ILE 71 CO -0.03 0.38 -0.16 -0.63 -0.10 0.00 0.00 174.94 174.41 2jy9 s ILE 72 N 1.43 2.84 -0.09 2.92 1.09 0.23 -4.53 121.20 125.09 2jy9 s ILE 72 Ca 0.05 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.89 2jy9 s ILE 72 Cb -0.15 -2.16 -0.00 0.00 -1.06 0.00 0.00 42.46 39.09 2jy9 s ILE 72 CO 0.02 0.54 -0.23 -1.59 -0.10 0.00 0.00 174.94 173.57 2jy9 s LYS 73 N 0.15 2.94 -0.10 2.79 -2.85 -1.26 -0.85 119.74 120.56 2jy9 s LYS 73 Ca -0.08 -0.87 0.02 0.00 -1.00 0.00 0.00 55.97 54.03 2jy9 s LYS 73 Cb -0.15 -2.29 -0.01 0.00 -2.06 0.00 0.00 37.83 33.32 2jy9 s LYS 73 CO 0.05 0.24 -0.16 0.00 0.10 0.00 0.00 175.35 175.58 2jy9 s ALA 74 N 0.20 2.51 -0.28 0.59 0.00 0.11 -4.95 121.76 119.94 2jy9 s ALA 74 Ca -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2jy9 s ALA 74 Cb -0.17 -1.03 0.16 0.00 0.00 0.00 0.00 23.12 22.08 2jy9 s ALA 74 CO 0.07 0.35 0.44 1.14 0.00 0.00 0.00 175.76 177.76 2jy9 s GLN 75 N 0.03 0.43 0.00 0.00 0.00 -1.26 -0.93 119.66 117.92 2jy9 s GLN 75 Ca -0.06 0.39 0.00 0.00 -0.00 0.00 0.00 55.36 55.69 2jy9 s GLN 75 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 33.01 32.66 2jy9 s GLN 75 CO 0.05 -0.87 0.00 -1.91 0.00 0.00 0.00 175.29 172.55 2jy9 n GLU 76 N 5.37 0.00 0.00 9.60 2.13 -1.26 -5.09 120.64 131.39 2jy9 n GLU 76 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jy9 n GLU 76 Cb 0.50 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.20 2jy9 n GLU 76 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2jy9 n PHE 77 N -1.30 0.00 -1.72 4.31 3.72 -1.26 -5.05 117.46 116.15 2jy9 n PHE 77 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2jy9 n PHE 77 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2jy9 n PHE 77 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2jy9 n ARG 78 N -0.51 0.00 -3.25 -1.08 0.63 -1.26 -4.90 116.66 106.29 2jy9 n ARG 78 Ca 0.00 -0.07 -0.46 0.00 -0.92 0.00 0.00 57.85 56.41 2jy9 n ARG 78 Cb 0.00 -0.14 -0.04 0.00 0.45 0.00 0.00 32.46 32.73 2jy9 n ARG 78 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2jy9 s SER 79 N 0.00 6.34 0.24 6.15 0.01 -1.26 -4.87 113.70 120.32 2jy9 s SER 79 Ca 0.00 -1.93 -0.05 0.00 1.31 0.00 0.00 55.95 55.29 2jy9 s SER 79 Cb 0.00 -2.24 0.36 0.00 0.21 0.00 0.00 66.02 64.35 2jy9 s SER 79 CO 0.00 -0.87 1.83 1.56 0.41 0.00 0.00 173.24 176.18 2jy9 h GLN 80 N 8.70 0.88 0.46 12.44 7.50 -1.92 -1.53 115.11 141.63 2jy9 h GLN 80 Ca -0.18 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 58.90 2jy9 h GLN 80 Cb 1.08 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 28.41 2jy9 h GLN 80 CO 0.99 0.58 -0.27 1.49 -1.50 0.00 0.00 178.83 180.12 2jy9 h GLU 81 N 0.90 -0.66 -0.02 1.46 4.81 -1.97 0.21 114.58 119.31 2jy9 h GLU 81 Ca 0.39 0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 2jy9 h GLU 81 Cb 0.26 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2jy9 h GLU 81 CO -0.20 -0.44 -0.61 1.37 -0.73 0.00 0.00 179.01 178.40 2jy9 h LEU 82 N -0.69 0.10 -0.70 1.64 8.10 -1.97 -1.77 115.31 120.03 2jy9 h LEU 82 Ca -0.05 -0.06 -0.05 0.00 0.11 0.00 0.00 57.88 57.83 2jy9 h LEU 82 Cb 0.55 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 40.71 2jy9 h LEU 82 CO 0.07 0.68 0.25 0.78 -4.11 0.00 0.00 178.44 176.11 2jy9 h ASN 83 N 0.06 0.99 0.46 0.17 -0.26 -1.06 0.51 115.58 116.46 2jy9 h ASN 83 Ca -0.01 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.52 2jy9 h ASN 83 Cb 1.09 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 2jy9 h ASN 83 CO 0.08 0.92 -0.22 -0.09 -1.06 0.00 0.00 177.43 177.06 2jy9 h ARG 84 N 1.01 -0.59 -0.91 0.81 2.43 -0.17 -0.76 114.38 116.19 2jy9 h ARG 84 Ca 0.23 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 2jy9 h ARG 84 Cb 0.26 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 2jy9 h ARG 84 CO -0.01 -0.39 0.59 0.93 -1.51 0.00 0.00 179.97 179.58 2jy9 h GLU 85 N -0.62 1.03 -0.63 0.20 4.39 -1.19 -0.79 114.58 116.97 2jy9 h GLU 85 Ca -0.06 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 2jy9 h GLU 85 Cb 0.47 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2jy9 h GLU 85 CO 0.10 0.68 0.07 0.00 -1.16 0.00 0.00 179.01 178.70 2jy9 h ALA 86 N 1.50 0.93 -0.60 3.43 0.00 -0.70 -0.25 119.26 123.57 2jy9 h ALA 86 Ca 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jy9 h ALA 86 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jy9 h ALA 86 CO -0.14 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.00 2jy9 h ALA 87 N 1.09 1.28 -0.10 0.00 0.00 0.08 0.31 119.26 121.91 2jy9 h ALA 87 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jy9 h ALA 87 Cb 0.47 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jy9 h ALA 87 CO 0.02 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.65 2jy9 h ILE 88 N 0.87 1.19 -0.47 0.00 2.04 -0.74 -2.19 117.51 118.20 2jy9 h ILE 88 Ca 0.21 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2jy9 h ILE 88 Cb 0.18 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2jy9 h ILE 88 CO -0.02 0.17 0.30 0.00 0.00 0.00 0.00 178.15 178.60 2jy9 h ALA 89 N 0.82 1.63 0.00 1.87 0.00 -0.57 -1.45 119.26 121.56 2jy9 h ALA 89 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jy9 h ALA 89 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jy9 h ALA 89 CO 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 2jy9 h ARG 90 N 0.65 -0.11 -0.21 0.00 -0.00 -0.13 -1.36 114.38 113.22 2jy9 h ARG 90 Ca 0.17 0.01 -0.10 0.00 -0.50 0.00 0.00 59.98 59.56 2jy9 h ARG 90 Cb -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 29.94 2jy9 h ARG 90 CO -0.03 -0.08 -0.32 1.37 0.00 0.00 0.00 179.97 180.91 2jy9 h LEU 91 N -0.12 0.43 -0.56 3.04 8.10 -0.87 -1.38 115.31 123.95 2jy9 h LEU 91 Ca 0.03 -0.16 0.00 0.00 0.11 0.00 0.00 57.88 57.86 2jy9 h LEU 91 Cb 0.15 -0.12 -0.03 0.00 -0.44 0.00 0.00 40.66 40.22 2jy9 h LEU 91 CO -0.07 0.73 0.37 0.58 -4.11 0.00 0.00 178.44 175.94 2jy9 h VAL 92 N 0.36 1.15 -0.73 0.15 2.07 -1.09 0.16 116.25 118.32 2jy9 h VAL 92 Ca 0.05 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 2jy9 h VAL 92 Cb 0.74 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2jy9 h VAL 92 CO 0.06 0.14 0.23 0.00 0.02 0.00 0.00 177.57 178.02 2jy9 h ALA 93 N 1.20 1.02 -0.79 1.67 0.00 -0.77 -2.40 119.26 119.18 2jy9 h ALA 93 Ca 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jy9 h ALA 93 Cb -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2jy9 h ALA 93 CO -0.04 0.66 0.49 0.28 0.00 0.00 0.00 179.25 180.64 2jy9 h VAL 94 N 1.09 1.22 -0.88 0.00 2.07 -0.78 -1.14 116.25 117.83 2jy9 h VAL 94 Ca 0.24 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.39 2jy9 h VAL 94 Cb 0.30 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 2jy9 h VAL 94 CO -0.01 0.22 0.53 0.40 0.02 0.00 0.00 177.57 178.73 2jy9 h ILE 95 N 1.08 0.94 0.00 4.57 2.04 -0.51 -0.65 117.51 124.99 2jy9 h ILE 95 Ca 0.29 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2jy9 h ILE 95 Cb -0.06 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 2jy9 h ILE 95 CO -0.06 0.16 -0.48 0.11 0.00 0.00 0.00 178.15 177.88 2jy9 h LYS 96 N 0.88 0.00 -0.28 2.37 1.57 -0.89 0.76 116.57 120.98 2jy9 h LYS 96 Ca 0.42 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.04 2jy9 h LYS 96 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jy9 h LYS 96 CO -0.24 0.48 -0.45 0.93 -0.57 0.00 0.00 179.45 179.60 2jy9 h GLU 97 N 0.00 0.73 0.22 3.15 5.08 0.03 -2.25 114.58 121.54 2jy9 h GLU 97 Ca -0.00 -0.41 -0.32 0.00 -1.00 0.00 0.00 59.36 57.63 2jy9 h GLU 97 Cb 0.93 0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.23 2jy9 h GLU 97 CO 0.06 1.03 -1.41 -0.07 -1.00 0.00 0.00 179.01 177.62 2jy9 h LEU 98 N 0.58 0.72 -2.14 1.33 4.07 -0.98 -3.26 115.31 115.64 2jy9 h LEU 98 Ca 0.04 -0.78 0.00 0.00 0.08 0.00 0.00 57.88 57.22 2jy9 h LEU 98 Cb 1.01 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2jy9 h LEU 98 CO 0.10 1.61 0.00 0.41 -1.08 0.00 0.00 178.44 179.47 2jy9 n THR 99 N -3.66 1.25 -1.04 0.22 -1.04 0.24 -4.93 114.28 105.31 2jy9 n THR 99 Ca -0.14 -0.66 -0.29 0.00 -2.04 0.00 0.00 64.05 60.91 2jy9 n THR 99 Cb 1.08 -0.30 0.17 0.00 -1.82 0.00 0.00 70.33 69.47 2jy9 n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jy9 s ALA 100 N -1.82 0.96 0.35 2.41 0.00 -0.85 -4.97 121.76 117.84 2jy9 s ALA 100 Ca 0.27 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.10 2jy9 s ALA 100 Cb 0.20 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 2jy9 s ALA 100 CO 0.09 -2.82 0.54 -2.00 0.00 0.00 0.00 175.76 171.57 2jy9 s GLU 101 N -4.84 3.36 2.16 0.00 2.12 -1.26 -4.95 118.70 115.28 2jy9 s GLU 101 Ca 0.65 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.50 2jy9 s GLU 101 Cb -0.20 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.51 2jy9 s GLU 101 CO 0.59 0.09 0.00 1.04 -0.54 0.00 0.00 175.26 176.43 2jy9 n GLN 102 N -1.79 0.00 0.00 4.30 1.13 -1.26 -4.65 117.38 115.11 2jy9 n GLN 102 Ca -0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2jy9 n GLN 102 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2jy9 n GLN 102 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2jy9 n LYS 103 N -0.41 0.00 0.00 -1.09 4.81 -1.26 -5.04 118.16 115.16 2jy9 n LYS 103 Ca 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2jy9 n LYS 103 Cb 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 35.03 34.29 2jy9 n LYS 103 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jy9 n SER 104 N -1.17 -4.74 -4.17 3.14 2.88 -1.26 -4.86 113.62 103.44 2jy9 n SER 104 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2jy9 n SER 104 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2jy9 n SER 104 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jy9 n ARG 105 N -1.57 -3.01 0.06 -1.46 5.12 -1.26 -4.81 116.66 109.73 2jy9 n ARG 105 Ca 0.00 0.36 0.13 0.00 -1.93 0.00 0.00 57.85 56.41 2jy9 n ARG 105 Cb 0.00 -4.84 0.47 0.00 -1.16 0.00 0.00 32.46 26.93 2jy9 n ARG 105 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2jy9 n ARG 106 N -4.40 0.16 -3.08 5.56 1.85 -1.26 -4.44 116.66 111.04 2jy9 n ARG 106 Ca -0.05 0.12 -0.45 0.00 -1.00 0.00 0.00 57.85 56.47 2jy9 n ARG 106 Cb 0.55 -1.68 -0.03 0.00 -1.05 0.00 0.00 32.46 30.25 2jy9 n ARG 106 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jy9 s ALA 107 N -3.06 3.52 -0.16 2.89 0.00 -1.26 -5.01 121.76 118.67 2jy9 s ALA 107 Ca 0.12 -2.61 -0.01 0.00 0.00 0.00 0.00 51.96 49.46 2jy9 s ALA 107 Cb 0.15 -3.72 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2jy9 s ALA 107 CO 0.58 -2.57 -0.13 -0.08 0.00 0.00 0.00 175.76 173.57 2jy9 s THR 108 N 2.23 2.88 -0.33 0.00 -1.32 -1.26 -4.85 115.64 112.99 2jy9 s THR 108 Ca 0.20 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 60.02 2jy9 s THR 108 Cb -0.14 -2.24 0.10 0.00 -1.51 0.00 0.00 72.50 68.71 2jy9 s THR 108 CO -0.02 0.50 0.05 -0.13 -2.21 0.00 0.00 174.62 172.81 2jy9 s ARG 109 N 0.86 1.37 -0.30 7.08 0.52 -1.26 -5.00 118.95 122.21 2jy9 s ARG 109 Ca -0.04 -1.71 -0.29 0.00 -0.52 0.00 0.00 55.73 53.17 2jy9 s ARG 109 Cb -0.15 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 2jy9 s ARG 109 CO -0.00 -0.93 1.65 -2.14 0.02 0.00 0.00 175.30 173.90 2jy9 s PRO 110 N 1.04 3.57 -0.19 3.54 0.02 -1.26 -4.40 135.00 137.31 2jy9 s PRO 110 Ca 0.10 1.43 -0.09 0.00 0.02 0.00 0.00 61.00 62.47 2jy9 s PRO 110 Cb -0.19 -4.10 -0.04 0.00 0.02 0.00 0.00 34.50 30.19 2jy9 s PRO 110 CO -0.11 -1.57 0.09 0.99 -0.33 0.00 0.00 177.00 176.07 2jy9 s THR 111 N 5.93 5.07 -0.72 0.99 2.01 -1.26 -5.04 115.64 122.61 2jy9 s THR 111 Ca 0.73 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.84 2jy9 s THR 111 Cb -0.22 -3.30 0.22 0.00 0.01 0.00 0.00 72.50 69.21 2jy9 s THR 111 CO 0.32 0.45 0.69 -1.14 -0.69 0.00 0.00 174.62 174.25 2jy9 n ARG 112 N 3.54 2.38 -3.96 4.92 0.00 -1.25 -4.45 116.66 117.84 2jy9 n ARG 112 Ca -0.16 -4.58 -0.34 0.00 -0.00 0.00 0.00 57.85 52.77 2jy9 n ARG 112 Cb 0.52 -2.30 -0.14 0.00 0.00 0.00 0.00 32.46 30.53 2jy9 n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jy9 s ALA 113 N -1.97 2.72 -0.16 5.13 0.00 0.21 -5.00 121.76 122.69 2jy9 s ALA 113 Ca 0.32 -1.70 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 2jy9 s ALA 113 Cb 0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2jy9 s ALA 113 CO -0.08 -1.15 -0.02 -1.12 0.00 0.00 0.00 175.76 173.38 2jy9 s SER 114 N 1.23 4.93 -0.29 0.00 0.01 -1.26 -3.45 113.70 114.87 2jy9 s SER 114 Ca -0.05 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2jy9 s SER 114 Cb -0.19 -1.80 0.16 0.00 0.21 0.00 0.00 66.02 64.39 2jy9 s SER 114 CO -0.03 0.17 0.39 -0.75 0.41 0.00 0.00 173.24 173.43 2jy9 s LYS 115 N 0.33 0.40 -0.10 12.44 2.20 -1.26 -5.13 119.74 128.62 2jy9 s LYS 115 Ca -0.03 0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.66 2jy9 s LYS 115 Cb -0.14 -0.37 0.04 0.00 -1.51 0.00 0.00 37.83 35.84 2jy9 s LYS 115 CO 0.03 -1.02 0.02 -2.00 -0.36 0.00 0.00 175.35 172.02 2jy9 s GLU 116 N 2.51 0.45 -0.25 4.03 2.12 -1.26 -5.11 118.70 121.19 2jy9 s GLU 116 Ca 0.10 0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.19 2jy9 s GLU 116 Cb -0.13 -1.16 0.16 0.00 0.26 0.00 0.00 34.13 33.26 2jy9 s GLU 116 CO -0.30 -0.40 1.21 -0.98 -0.54 0.00 0.00 175.26 174.26 2jy9 s ARG 117 N 2.00 0.29 -0.21 4.30 1.70 -1.26 -5.16 118.95 120.62 2jy9 s ARG 117 Ca 0.04 0.15 -0.04 0.00 -0.47 0.00 0.00 55.73 55.41 2jy9 s ARG 117 Cb -0.13 0.14 0.10 0.00 -0.57 0.00 0.00 34.95 34.49 2jy9 s ARG 117 CO -0.06 -0.07 0.30 -0.98 -1.08 0.00 0.00 175.30 173.41 2jy9 s ARG 118 N -0.67 0.25 -0.00 3.89 1.70 -1.26 -4.97 118.95 117.89 2jy9 s ARG 118 Ca 0.04 0.47 0.00 0.00 -0.47 0.00 0.00 55.73 55.77 2jy9 s ARG 118 Cb -0.02 -0.65 0.00 0.00 -0.57 0.00 0.00 34.95 33.71 2jy9 s ARG 118 CO -0.06 -0.57 0.56 1.47 -1.08 0.00 0.00 175.30 175.62 2jy9 n LEU 119 N 5.35 0.09 -1.83 -1.89 -0.00 -1.26 -4.90 117.00 112.55 2jy9 n LEU 119 Ca -0.05 -0.17 -0.12 0.00 -0.00 0.00 0.00 56.01 55.67 2jy9 n LEU 119 Cb 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2jy9 n LEU 119 CO 0.06 0.04 1.21 -1.20 -0.00 0.00 0.00 177.39 177.50 2jy9 n SER 120 N -0.03 6.04 -0.63 1.45 7.64 -1.26 -4.09 113.62 122.75 2jy9 n SER 120 Ca 0.00 -2.83 0.04 0.00 1.01 0.00 0.00 58.87 57.08 2jy9 n SER 120 Cb 0.51 -1.12 0.06 0.00 -1.01 0.00 0.00 64.21 62.64 2jy9 n SER 120 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jy9 n SER 121 N 0.90 0.91 -3.72 6.43 7.64 -1.26 -5.01 113.62 119.52 2jy9 n SER 121 Ca 0.23 -2.44 -0.21 0.00 1.01 0.00 0.00 58.87 57.46 2jy9 n SER 121 Cb 0.57 -0.31 -0.18 0.00 -1.01 0.00 0.00 64.21 63.29 2jy9 n SER 121 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jy9 s LYS 122 N -0.97 0.22 -0.30 1.43 0.00 -1.26 -5.10 119.74 113.76 2jy9 s LYS 122 Ca 0.18 0.26 -0.20 0.00 0.00 0.00 0.00 55.97 56.21 2jy9 s LYS 122 Cb 0.18 -0.70 0.20 0.00 0.00 0.00 0.00 37.83 37.51 2jy9 s LYS 122 CO -0.04 -0.31 1.31 0.00 0.00 0.00 0.00 175.35 176.32 2jy9 s ALA 123 N 2.04 -3.41 -0.26 0.59 0.00 -1.26 -5.15 121.76 114.30 2jy9 s ALA 123 Ca 0.04 1.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 2jy9 s ALA 123 Cb -0.12 -2.35 0.12 0.00 0.00 0.00 0.00 23.12 20.77 2jy9 s ALA 123 CO -0.04 -1.03 0.28 -1.14 0.00 0.00 0.00 175.76 173.83 2jy9 s GLN 124 N 2.11 0.29 -0.30 0.00 -0.44 -1.26 -5.07 119.66 114.99 2jy9 s GLN 124 Ca -0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 55.36 52.77 2jy9 s GLN 124 Cb -0.01 -0.79 0.18 0.00 -1.64 0.00 0.00 33.01 30.75 2jy9 s GLN 124 CO -0.15 -0.90 0.95 0.21 0.50 0.00 0.00 175.29 175.90 2jy9 s LYS 125 N 2.37 0.25 -0.49 1.67 2.47 -1.26 -5.10 119.74 119.65 2jy9 s LYS 125 Ca 0.09 0.34 0.06 0.00 -1.56 0.00 0.00 55.97 54.91 2jy9 s LYS 125 Cb -0.15 0.18 0.21 0.00 -1.46 0.00 0.00 37.83 36.61 2jy9 s LYS 125 CO -0.26 -0.38 0.73 0.43 0.16 0.00 0.00 175.35 176.03 2jy9 n SER 126 N 5.32 -2.67 -3.12 1.43 7.64 -1.26 -5.08 113.62 115.88 2jy9 n SER 126 Ca 0.02 -2.98 0.03 0.00 1.01 0.00 0.00 58.87 56.94 2jy9 n SER 126 Cb 0.55 1.35 -0.00 0.00 -1.01 0.00 0.00 64.21 65.10 2jy9 n SER 126 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jy9 s SER 127 N -0.30 -1.26 -0.44 6.43 0.01 -1.26 -5.10 113.70 111.77 2jy9 s SER 127 Ca 0.31 -0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.46 2jy9 s SER 127 Cb 0.10 1.70 0.18 0.00 0.21 0.00 0.00 66.02 68.21 2jy9 s SER 127 CO -0.14 -0.19 0.65 0.54 0.41 0.00 0.00 173.24 174.50 2jy9 s VAL 128 N 2.42 -0.96 -0.30 3.43 0.11 -1.26 -5.11 120.40 118.74 2jy9 s VAL 128 Ca 0.15 -0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2jy9 s VAL 128 Cb -0.05 -0.04 0.16 0.00 -1.53 0.00 0.00 36.38 34.92 2jy9 s VAL 128 CO -0.18 -0.04 0.62 -0.54 -3.33 0.00 0.00 175.10 171.63 2jy9 s LYS 129 N 1.53 0.57 -0.35 1.54 1.02 -1.26 -5.11 119.74 117.68 2jy9 s LYS 129 Ca 0.20 1.19 -0.05 0.00 0.02 0.00 0.00 55.97 57.34 2jy9 s LYS 129 Cb -0.03 0.68 0.19 0.00 -0.52 0.00 0.00 37.83 38.15 2jy9 s LYS 129 CO -0.06 -0.45 0.94 0.00 -0.92 0.00 0.00 175.35 174.86 2jy9 s ALA 130 N 2.87 -3.90 -0.38 5.17 0.00 -1.26 -5.11 121.76 119.15 2jy9 s ALA 130 Ca 0.10 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2jy9 s ALA 130 Cb -0.14 -2.94 0.15 0.00 0.00 0.00 0.00 23.12 20.20 2jy9 s ALA 130 CO -0.20 -2.43 0.33 -1.17 0.00 0.00 0.00 175.76 172.29 2jy9 s LEU 131 N 1.85 0.48 -0.31 0.00 2.96 -1.26 -5.04 118.68 117.36 2jy9 s LEU 131 Ca 0.16 -2.07 0.04 0.00 -0.22 0.00 0.00 54.13 52.03 2jy9 s LEU 131 Cb 0.02 0.12 0.19 0.00 0.50 0.00 0.00 46.19 47.03 2jy9 s LEU 131 CO -0.12 -0.25 0.67 -0.60 -1.32 0.00 0.00 176.35 174.72 2jy9 s ARG 132 N 1.03 0.53 -0.27 1.98 3.52 -1.26 -5.15 118.95 119.33 2jy9 s ARG 132 Ca 0.21 0.37 -0.12 0.00 -0.13 0.00 0.00 55.73 56.06 2jy9 s ARG 132 Cb -0.14 0.20 0.10 0.00 -1.56 0.00 0.00 34.95 33.55 2jy9 s ARG 132 CO -0.04 -0.94 0.62 0.20 -0.81 0.00 0.00 175.30 174.33 2jy9 s GLY 133 N 2.69 -0.63 -0.14 8.12 0.00 -1.26 -5.16 107.32 110.94 2jy9 s GLY 133 Ca 0.13 2.23 -0.16 0.00 0.00 0.00 0.00 44.72 46.92 2jy9 s GLY 133 CO -0.23 2.68 0.43 1.25 0.00 0.00 0.00 173.10 177.23 2jy9 s LYS 134 N 2.34 0.56 0.24 2.90 2.20 -1.26 -5.14 119.74 121.57 2jy9 s LYS 134 Ca -0.07 0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 55.73 2jy9 s LYS 134 Cb -0.09 0.27 -0.09 0.00 -1.51 0.00 0.00 37.83 36.40 2jy9 s LYS 134 CO -0.18 -0.09 1.23 0.14 -0.36 0.00 0.00 175.35 176.09 2jy9 s VAL 135 N -0.04 3.26 -0.21 4.02 -7.23 -1.26 -5.03 120.40 113.91 2jy9 s VAL 135 Ca -0.02 1.14 -0.14 0.00 -1.81 0.00 0.00 61.98 61.15 2jy9 s VAL 135 Cb -0.03 -3.73 0.06 0.00 0.56 0.00 0.00 36.38 33.24 2jy9 s VAL 135 CO 0.02 0.22 0.52 0.00 -0.31 0.00 0.00 175.10 175.54 2jy9 s ARG 136 N -0.83 0.54 -0.30 4.82 1.04 -1.26 -5.14 118.95 117.83 2jy9 s ARG 136 Ca 0.51 0.89 -0.15 0.00 -1.04 0.00 0.00 55.73 55.94 2jy9 s ARG 136 Cb -0.35 0.12 0.17 0.00 -2.04 0.00 0.00 34.95 32.85 2jy9 s ARG 136 CO 0.42 -0.13 1.04 0.50 -0.04 0.00 0.00 175.30 177.09 2jy9 s ARG 137 N 1.13 0.23 0.32 3.89 3.52 -1.26 -5.17 118.95 121.61 2jy9 s ARG 137 Ca -0.07 0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 55.93 2jy9 s ARG 137 Cb -0.06 0.32 -0.09 0.00 -1.56 0.00 0.00 34.95 33.56 2jy9 s ARG 137 CO -0.11 -0.12 0.73 -1.25 -0.81 0.00 0.00 175.30 173.74 2jy9 s PRO 138 N 2.50 4.01 -0.29 5.12 0.04 -1.26 -5.07 135.00 140.04 2jy9 s PRO 138 Ca -0.01 0.67 0.03 0.00 0.04 0.00 0.00 61.00 61.73 2jy9 s PRO 138 Cb -0.06 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 32.10 2jy9 s PRO 138 CO -0.16 0.17 -0.03 -0.51 0.04 0.00 0.00 177.00 176.51 2jy9 s LEU 139 N -2.93 3.87 0.00 -3.56 1.02 -1.26 -4.91 118.68 110.91 2jy9 s LEU 139 Ca 0.53 -1.71 0.22 0.00 0.02 0.00 0.00 54.13 53.19 2jy9 s LEU 139 Cb -0.10 -1.52 0.53 0.00 0.02 0.00 0.00 46.19 45.12 2jy9 s LEU 139 CO 0.18 -0.29 1.46 -0.90 0.02 0.00 0.00 176.35 176.82 2jy9 n ASP 140 N 4.40 3.34 -4.57 2.29 5.75 -1.26 -4.93 116.55 121.57 2jy9 n ASP 140 Ca -0.06 -1.97 -0.39 0.00 -0.01 0.00 0.00 54.79 52.37 2jy9 n ASP 140 Cb 0.42 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 2jy9 n ASP 140 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2jy9 s LEU 141 N -1.28 3.40 -0.30 -2.12 1.43 -1.26 -4.86 118.68 113.69 2jy9 s LEU 141 Ca 0.41 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.58 2jy9 s LEU 141 Cb 0.22 -2.82 0.18 0.00 0.03 0.00 0.00 46.19 43.81 2jy9 s LEU 141 CO 0.31 -2.50 0.85 -0.70 0.23 0.00 0.00 176.35 174.54 2jy9 s GLU 142 N 7.42 0.37 -0.35 1.70 2.56 -1.26 -5.12 118.70 124.02 2jy9 s GLU 142 Ca 0.92 0.69 0.03 0.00 0.00 0.00 0.00 54.97 56.60 2jy9 s GLU 142 Cb -0.20 0.39 0.10 0.00 2.00 0.00 0.00 34.13 36.42 2jy9 s GLU 142 CO 0.28 -0.36 0.07 -3.38 -0.56 0.00 0.00 175.26 171.31 2jy9 s HIS 143 N 2.86 3.73 -1.13 5.30 -3.43 -1.26 -5.04 115.29 116.32 2jy9 s HIS 143 Ca 0.07 -2.90 -0.22 0.00 -0.80 0.00 0.00 55.06 51.22 2jy9 s HIS 143 Cb -0.12 -2.96 -0.03 0.00 -1.43 0.00 0.00 32.58 28.04 2jy9 s HIS 143 CO -0.16 -0.95 1.85 -1.58 -2.00 0.00 0.00 174.74 171.90 2jy9 s HIS 144 N 0.94 2.15 -0.51 0.38 2.46 -1.26 -4.80 115.29 114.66 2jy9 s HIS 144 Ca 0.10 -0.07 0.05 0.00 0.47 0.00 0.00 55.06 55.62 2jy9 s HIS 144 Cb -0.20 -4.24 0.19 0.00 -0.13 0.00 0.00 32.58 28.20 2jy9 s HIS 144 CO -0.07 -1.52 0.45 1.58 -2.47 0.00 0.00 174.74 172.70 2jy9 n HIS 145 N 12.50 0.71 -3.51 3.88 -0.00 -1.26 -5.00 115.22 122.55 2jy9 n HIS 145 Ca 0.43 -3.70 -0.29 0.00 0.46 0.00 0.00 57.72 54.63 2jy9 n HIS 145 Cb 0.47 -0.14 -0.13 0.00 -0.12 0.00 0.00 29.99 30.07 2jy9 n HIS 145 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jy9 s HIS 146 N -0.77 0.84 -0.02 1.57 3.76 -1.26 -5.13 115.29 114.28 2jy9 s HIS 146 Ca 0.32 -1.63 -0.01 0.00 -0.15 0.00 0.00 55.06 53.58 2jy9 s HIS 146 Cb 0.05 -1.05 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 2jy9 s HIS 146 CO -0.16 -0.83 0.07 -1.01 -0.85 0.00 0.00 174.74 171.96 2jy9 s HIS 147 N 1.12 3.28 0.00 1.40 3.76 -1.26 -5.33 115.29 118.27 2jy9 s HIS 147 Ca 0.17 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 2jy9 s HIS 147 Cb -0.22 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.71 2jy9 s HIS 147 CO -0.04 0.55 0.00 -2.39 -0.85 0.00 0.00 174.74 172.01