#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 4.08 -0.29 1.12 1.09 -0.22 -4.96 121.20 122.02 2jy9 s ILE 2 Ca 0.00 -0.31 -0.14 0.00 -1.10 0.00 0.00 60.65 59.09 2jy9 s ILE 2 Cb 0.00 -2.93 -0.03 0.00 -1.06 0.00 0.00 42.46 38.44 2jy9 s ILE 2 CO 0.00 0.32 0.34 0.00 -0.10 0.00 0.00 174.94 175.49 2jy9 s ALA 3 N 1.57 3.54 0.35 9.38 0.00 -1.26 -0.55 121.76 134.79 2jy9 s ALA 3 Ca 0.06 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.12 2jy9 s ALA 3 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 2jy9 s ALA 3 CO 0.02 -0.76 0.22 0.42 0.00 0.00 0.00 175.76 175.66 2jy9 s ILE 4 N 2.01 3.14 0.79 0.00 -1.09 -1.23 -4.98 121.20 119.84 2jy9 s ILE 4 Ca 0.13 -1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 56.87 2jy9 s ILE 4 Cb -0.16 -3.05 0.07 0.00 -1.58 0.00 0.00 42.46 37.74 2jy9 s ILE 4 CO 0.11 -0.16 1.15 -0.55 -1.23 0.00 0.00 174.94 174.26 2jy9 s SER 5 N -3.92 3.94 0.29 3.58 0.15 -1.26 -4.62 113.70 111.85 2jy9 s SER 5 Ca 0.40 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.19 2jy9 s SER 5 Cb -0.03 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2jy9 s SER 5 CO 0.24 -2.42 0.00 -1.14 1.20 0.00 0.00 173.24 171.12 2jy9 n ARG 6 N -3.38 -0.97 0.00 5.44 0.63 -1.26 -4.02 116.66 113.10 2jy9 n ARG 6 Ca 0.12 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 2jy9 n ARG 6 Cb 0.52 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.24 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 -2.09 0.00 -3.64 5.15 5.66 -1.26 -4.74 114.28 113.35 2jy9 n THR 7 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 2jy9 n THR 7 Cb 0.22 -0.19 -0.12 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.67 4.59 0.10 1.08 1.01 -1.26 -4.29 120.40 119.97 2jy9 s VAL 8 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2jy9 s VAL 8 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2jy9 s VAL 8 CO 0.00 -0.02 0.02 -0.44 0.00 0.00 0.00 175.10 174.66 2jy9 s SER 9 N 1.60 5.11 -0.09 3.32 0.01 -0.48 -3.50 113.70 119.66 2jy9 s SER 9 Ca 0.04 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2jy9 s SER 9 Cb -0.18 -1.24 -0.02 0.00 0.21 0.00 0.00 66.02 64.79 2jy9 s SER 9 CO 0.06 0.16 -0.12 -0.63 0.41 0.00 0.00 173.24 173.12 2jy9 s ILE 10 N -1.39 3.23 0.51 1.44 1.09 0.29 -0.25 121.20 126.13 2jy9 s ILE 10 Ca 0.27 -0.63 -0.18 0.00 -1.10 0.00 0.00 60.65 59.00 2jy9 s ILE 10 Cb -0.11 -2.32 -0.07 0.00 -1.06 0.00 0.00 42.46 38.89 2jy9 s ILE 10 CO 0.19 0.56 1.02 0.00 -0.10 0.00 0.00 174.94 176.62 2jy9 s ALA 11 N -0.30 2.89 -0.44 9.38 0.00 -1.20 -1.05 121.76 131.04 2jy9 s ALA 11 Ca 0.03 0.44 0.26 0.00 0.00 0.00 0.00 51.96 52.69 2jy9 s ALA 11 Cb -0.13 -3.21 0.99 0.00 0.00 0.00 0.00 23.12 20.77 2jy9 s ALA 11 CO 0.03 -0.38 1.76 0.38 0.00 0.00 0.00 175.76 177.55 2jy9 h ASP 12 N 1.18 0.00 1.07 0.00 3.04 -1.94 -1.98 116.42 117.79 2jy9 h ASP 12 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2jy9 h ASP 12 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 2jy9 h ASP 12 CO 0.59 0.00 0.00 -3.20 -2.04 0.00 0.00 179.24 174.59 2jy9 n ASN 13 N -2.40 0.27 0.14 4.15 5.15 -1.26 -3.01 115.26 118.30 2jy9 n ASN 13 Ca 0.03 0.53 0.02 0.00 -0.60 0.00 0.00 54.58 54.56 2jy9 n ASN 13 Cb 0.29 -0.60 0.06 0.00 -0.53 0.00 0.00 39.78 38.99 2jy9 n ASN 13 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2jy9 h GLU 14 N 0.00 0.00 -6.24 1.20 4.39 -1.71 -3.45 114.58 108.77 2jy9 h GLU 14 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2jy9 h GLU 14 Cb 0.53 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2jy9 h GLU 14 CO 0.00 0.53 0.24 -0.51 -1.16 0.00 0.00 179.01 178.11 2jy9 s LEU 15 N -6.55 4.35 -0.38 1.33 1.43 -1.16 -4.89 118.68 112.80 2jy9 s LEU 15 Ca 0.03 1.44 -0.26 0.00 -1.03 0.00 0.00 54.13 54.31 2jy9 s LEU 15 Cb 0.08 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.97 2jy9 s LEU 15 CO 0.74 -0.19 0.96 -1.61 0.23 0.00 0.00 176.35 176.48 2jy9 s GLU 16 N 0.92 3.84 -0.24 1.70 0.41 -1.12 -4.93 118.70 119.28 2jy9 s GLU 16 Ca 0.45 0.61 -0.11 0.00 -0.41 0.00 0.00 54.97 55.51 2jy9 s GLU 16 Cb -0.19 -3.81 -0.05 0.00 -1.78 0.00 0.00 34.13 28.30 2jy9 s GLU 16 CO 0.23 -0.99 0.20 0.42 -0.49 0.00 0.00 175.26 174.63 2jy9 s ILE 17 N 3.58 5.33 -0.00 -1.63 -1.09 -1.26 -2.14 121.20 123.99 2jy9 s ILE 17 Ca 0.40 0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 59.00 2jy9 s ILE 17 Cb -0.12 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2jy9 s ILE 17 CO 0.20 0.32 0.14 0.42 -1.23 0.00 0.00 174.94 174.79 2jy9 s THR 18 N 1.17 0.08 0.08 2.92 -4.23 0.18 -5.02 115.64 110.82 2jy9 s THR 18 Ca 0.09 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 2jy9 s THR 18 Cb -0.14 -0.43 -0.06 0.00 1.34 0.00 0.00 72.50 73.22 2jy9 s THR 18 CO 0.06 -0.36 0.38 0.00 -0.54 0.00 0.00 174.62 174.16 2jy9 s ALA 19 N -1.31 3.75 -0.31 3.99 0.00 -1.26 -0.50 121.76 126.11 2jy9 s ALA 19 Ca -0.14 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 2jy9 s ALA 19 Cb -0.07 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2jy9 s ALA 19 CO 0.02 0.59 0.30 0.42 0.00 0.00 0.00 175.76 177.09 2jy9 s ILE 20 N -1.43 5.22 -0.48 0.00 1.01 0.27 -4.87 121.20 120.92 2jy9 s ILE 20 Ca 0.34 0.17 0.06 0.00 0.00 0.00 0.00 60.65 61.22 2jy9 s ILE 20 Cb -0.14 -3.70 0.19 0.00 0.01 0.00 0.00 42.46 38.83 2jy9 s ILE 20 CO 0.19 0.07 0.63 -1.14 0.00 0.00 0.00 174.94 174.69 2jy9 n ARG 21 N 5.25 0.47 -0.05 2.79 0.63 -1.26 -2.83 116.66 121.65 2jy9 n ARG 21 Ca -0.11 -2.37 0.04 0.00 -0.92 0.00 0.00 57.85 54.49 2jy9 n ARG 21 Cb 0.50 -1.52 0.06 0.00 0.45 0.00 0.00 32.46 31.96 2jy9 n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jy9 n ALA 22 N 2.75 2.33 -0.84 5.13 0.00 -1.26 -5.05 120.51 123.57 2jy9 n ALA 22 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2jy9 n ALA 22 Cb 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2jy9 n ALA 22 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jy9 n GLN 23 N 0.34 0.00 -3.60 0.00 7.27 -1.26 -4.94 117.38 115.19 2jy9 n GLN 23 Ca 0.06 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.02 2jy9 n GLN 23 Cb 0.27 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.88 2jy9 n GLN 23 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2jy9 s GLY 24 N -2.46 -0.34 0.29 1.69 0.00 -1.26 -4.90 107.32 100.34 2jy9 s GLY 24 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.81 2jy9 s GLY 24 CO 0.00 -0.15 0.37 0.00 0.00 0.00 0.00 173.10 173.32 2jy9 s ALA 25 N -3.53 0.82 0.00 3.20 0.00 -1.26 -4.77 121.76 116.22 2jy9 s ALA 25 Ca 0.01 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2jy9 s ALA 25 Cb 0.01 1.24 0.00 0.00 0.00 0.00 0.00 23.12 24.37 2jy9 s ALA 25 CO -0.10 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2jy9 n GLY 26 N -0.47 0.73 0.00 0.00 0.00 -1.26 -5.01 105.19 99.17 2jy9 n GLY 26 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.93 1.93 3.96 -0.02 0.00 -1.26 -5.13 105.19 103.75 2jy9 n GLY 27 Ca 0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 2jy9 n GLY 27 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jy9 s GLN 28 N -2.00 2.99 -0.90 1.61 0.00 -1.26 -4.42 119.66 115.69 2jy9 s GLN 28 Ca 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 55.36 54.25 2jy9 s GLN 28 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 33.01 30.27 2jy9 s GLN 28 CO 0.00 0.02 0.00 0.72 0.00 0.00 0.00 175.29 176.03 2jy9 n HIS 29 N -1.61 0.00 -3.28 9.60 8.25 -1.26 -4.97 115.22 121.94 2jy9 n HIS 29 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 2jy9 n HIS 29 Cb 0.59 -2.15 -0.07 0.00 1.12 0.00 0.00 29.99 29.47 2jy9 n HIS 29 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jy9 s VAL 30 N -1.98 5.13 0.00 1.59 1.01 -1.26 -4.64 120.40 120.25 2jy9 s VAL 30 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2jy9 s VAL 30 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2jy9 s VAL 30 CO 0.00 0.20 0.00 -3.20 0.00 0.00 0.00 175.10 172.10 2jy9 n ASN 31 N 4.65 0.00 -3.54 3.32 2.85 -1.26 -4.42 115.26 116.85 2jy9 n ASN 31 Ca -0.06 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.11 2jy9 n ASN 31 Cb 0.51 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.81 2jy9 n ASN 31 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2jy9 s LYS 32 N -0.51 -2.69 -0.71 1.20 -2.85 -1.26 -3.95 119.74 108.96 2jy9 s LYS 32 Ca 0.00 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 2jy9 s LYS 32 Cb 0.00 -1.40 0.00 0.00 -2.06 0.00 0.00 37.83 34.37 2jy9 s LYS 32 CO 0.00 -4.72 0.00 2.41 0.10 0.00 0.00 175.35 173.14 2jy9 n THR 33 N -5.53 0.00 0.62 3.79 -1.04 -1.26 -4.73 114.28 106.14 2jy9 n THR 33 Ca 0.12 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.17 2jy9 n THR 33 Cb 0.60 -0.96 0.15 0.00 -1.82 0.00 0.00 70.33 68.30 2jy9 n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jy9 n SER 34 N 0.48 2.30 -3.37 8.00 3.41 -1.25 -4.50 113.62 118.68 2jy9 n SER 34 Ca -0.07 -2.19 -0.16 0.00 -0.26 0.00 0.00 58.87 56.19 2jy9 n SER 34 Cb 0.26 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 2jy9 n SER 34 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jy9 s SER 35 N -0.67 1.30 0.16 4.04 0.01 -1.13 -4.41 113.70 113.01 2jy9 s SER 35 Ca 0.22 -1.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.19 2jy9 s SER 35 Cb 0.14 0.58 -0.00 0.00 0.21 0.00 0.00 66.02 66.95 2jy9 s SER 35 CO 0.10 -0.31 0.31 0.00 0.41 0.00 0.00 173.24 173.75 2jy9 s ALA 36 N 1.86 -0.17 -0.16 1.44 0.00 -1.17 -4.86 121.76 118.69 2jy9 s ALA 36 Ca 0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 2jy9 s ALA 36 Cb -0.15 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 2jy9 s ALA 36 CO -0.16 -0.66 0.15 0.42 0.00 0.00 0.00 175.76 175.50 2jy9 s ILE 37 N -3.94 5.44 -0.03 0.00 -1.09 0.73 -0.56 121.20 121.74 2jy9 s ILE 37 Ca 0.15 0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.82 2jy9 s ILE 37 Cb 0.03 -3.45 -0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2jy9 s ILE 37 CO -0.02 0.52 -0.12 -2.28 -1.23 0.00 0.00 174.94 171.82 2jy9 s HIS 38 N -0.27 1.20 0.01 3.97 5.65 0.35 -2.01 115.29 124.18 2jy9 s HIS 38 Ca 0.12 -0.31 -0.04 0.00 0.25 0.00 0.00 55.06 55.07 2jy9 s HIS 38 Cb -0.12 -0.83 -0.01 0.00 -1.18 0.00 0.00 32.58 30.45 2jy9 s HIS 38 CO 0.01 -0.11 0.07 -0.48 -0.65 0.00 0.00 174.74 173.58 2jy9 s LEU 39 N 0.09 1.83 0.12 8.88 2.34 -1.24 -0.65 118.68 130.05 2jy9 s LEU 39 Ca -0.02 -0.33 0.10 0.00 0.06 0.00 0.00 54.13 53.94 2jy9 s LEU 39 Cb -0.09 0.45 -0.04 0.00 -0.56 0.00 0.00 46.19 45.95 2jy9 s LEU 39 CO 0.01 -0.35 -0.24 -0.13 -1.06 0.00 0.00 176.35 174.58 2jy9 s ARG 40 N -1.44 1.56 -0.30 1.48 1.81 -0.91 -3.92 118.95 117.23 2jy9 s ARG 40 Ca -0.15 -1.28 -0.07 0.00 -1.72 0.00 0.00 55.73 52.51 2jy9 s ARG 40 Cb -0.08 -1.98 0.16 0.00 -0.45 0.00 0.00 34.95 32.60 2jy9 s ARG 40 CO 0.00 0.46 0.69 0.12 -0.68 0.00 0.00 175.30 175.90 2jy9 s PHE 41 N -1.08 -1.34 0.25 -0.53 5.36 -1.23 -2.80 117.98 116.62 2jy9 s PHE 41 Ca 0.15 1.84 0.08 0.00 -0.96 0.00 0.00 56.93 58.04 2jy9 s PHE 41 Cb -0.10 0.62 -0.05 0.00 -0.34 0.00 0.00 43.02 43.15 2jy9 s PHE 41 CO 0.07 -0.70 -0.11 0.16 -1.46 0.00 0.00 175.22 173.18 2jy9 s ASP 42 N 2.84 2.76 0.21 6.13 1.47 -1.26 0.14 116.67 128.96 2jy9 s ASP 42 Ca 0.06 -1.10 -0.10 0.00 1.18 0.00 0.00 52.55 52.59 2jy9 s ASP 42 Cb -0.13 -0.17 0.20 0.00 -0.34 0.00 0.00 42.92 42.48 2jy9 s ASP 42 CO -0.19 -0.23 1.85 0.40 0.68 0.00 0.00 175.17 177.67 2jy9 h ILE 43 N 2.40 1.08 -0.78 2.11 2.04 -1.54 -2.95 117.51 119.87 2jy9 h ILE 43 Ca -0.39 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2jy9 h ILE 43 Cb 1.23 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2jy9 h ILE 43 CO 0.64 0.16 0.46 0.03 0.00 0.00 0.00 178.15 179.44 2jy9 h ARG 44 N 0.85 1.06 0.86 2.37 -0.00 -1.87 -3.05 114.38 114.60 2jy9 h ARG 44 Ca 0.29 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.98 59.63 2jy9 h ARG 44 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 29.78 2jy9 h ARG 44 CO -0.12 0.75 -0.47 0.00 0.00 0.00 0.00 179.97 180.13 2jy9 h ALA 45 N 1.43 -1.26 -3.03 0.04 0.00 -1.83 -3.37 119.26 111.24 2jy9 h ALA 45 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jy9 h ALA 45 Cb -0.03 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jy9 h ALA 45 CO -0.05 -1.22 0.00 0.43 0.00 0.00 0.00 179.25 178.41 2jy9 n SER 46 N -5.63 0.00 -3.16 0.00 7.64 -1.15 -0.30 113.62 111.02 2jy9 n SER 46 Ca -0.15 -0.05 -0.26 0.00 1.01 0.00 0.00 58.87 59.42 2jy9 n SER 46 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 2jy9 n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jy9 n GLY 47 N 5.00 4.81 3.79 0.23 0.00 -1.26 -4.69 105.19 113.06 2jy9 n GLY 47 Ca 0.00 -2.52 -0.36 0.00 0.00 0.00 0.00 46.02 43.14 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 -2.77 4.02 0.52 0.99 1.43 -1.26 -5.01 118.68 116.59 2jy9 s LEU 48 Ca 0.43 2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 55.35 2jy9 s LEU 48 Cb 0.23 -4.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 2jy9 s LEU 48 CO -0.09 -0.65 1.27 -2.84 0.23 0.00 0.00 176.35 174.28 2jy9 s PRO 49 N -2.78 3.33 0.51 1.29 0.02 -1.26 -4.78 135.00 131.32 2jy9 s PRO 49 Ca 0.62 2.03 0.22 0.00 0.02 0.00 0.00 61.00 63.89 2jy9 s PRO 49 Cb -0.21 -2.27 1.37 0.00 0.02 0.00 0.00 34.50 33.41 2jy9 s PRO 49 CO 0.26 -0.98 2.10 1.05 -0.33 0.00 0.00 177.00 179.10 2jy9 h GLU 50 N 1.59 0.00 -0.82 5.54 4.11 -1.97 0.68 114.58 123.71 2jy9 h GLU 50 Ca -0.50 0.00 0.06 0.00 0.07 0.00 0.00 59.36 58.98 2jy9 h GLU 50 Cb 1.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 2jy9 h GLU 50 CO 0.58 0.09 0.51 -0.92 0.07 0.00 0.00 179.01 179.34 2jy9 h TYR 51 N 0.00 0.94 0.17 2.06 3.20 -2.01 0.91 116.97 122.24 2jy9 h TYR 51 Ca -0.00 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.59 2jy9 h TYR 51 Cb 0.19 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.17 2jy9 h TYR 51 CO 0.00 0.49 -1.42 1.88 -1.64 0.00 0.00 178.16 177.47 2jy9 h TYR 52 N 0.94 0.64 -0.26 -3.82 -1.99 -1.62 -3.28 116.97 107.59 2jy9 h TYR 52 Ca 0.35 -0.47 0.06 0.00 2.00 0.00 0.00 58.73 60.67 2jy9 h TYR 52 Cb 0.14 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 38.79 2jy9 h TYR 52 CO -0.04 1.42 -0.12 -0.22 -0.00 0.00 0.00 178.16 179.20 2jy9 h LYS 53 N 0.10 -0.07 -0.55 4.88 3.64 -0.28 -0.05 116.57 124.24 2jy9 h LYS 53 Ca -0.21 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2jy9 h LYS 53 Cb 2.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.86 2jy9 h LYS 53 CO 0.21 -0.05 0.19 1.96 -2.27 0.00 0.00 179.45 179.50 2jy9 h GLN 54 N -0.08 0.84 -0.75 1.90 1.08 -0.98 1.00 115.11 118.13 2jy9 h GLN 54 Ca 0.14 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2jy9 h GLN 54 Cb 0.28 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 2jy9 h GLN 54 CO -0.31 0.75 0.47 0.00 -0.95 0.00 0.00 178.83 178.79 2jy9 h ARG 55 N 0.76 0.99 0.00 1.46 2.47 -1.52 -0.00 114.38 118.55 2jy9 h ARG 55 Ca 0.18 -0.07 -0.22 0.00 -1.26 0.00 0.00 59.98 58.60 2jy9 h ARG 55 Cb 0.24 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2jy9 h ARG 55 CO -0.01 0.68 -0.94 -0.07 0.56 0.00 0.00 179.97 180.18 2jy9 h LEU 56 N 1.02 0.51 -0.11 3.04 3.38 -0.48 0.13 115.31 122.80 2jy9 h LEU 56 Ca 0.27 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2jy9 h LEU 56 Cb -0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2jy9 h LEU 56 CO -0.06 1.21 -0.16 -0.07 0.09 0.00 0.00 178.44 179.46 2jy9 h LEU 57 N 0.22 0.34 0.32 1.67 3.38 -0.44 -3.35 115.31 117.44 2jy9 h LEU 57 Ca -0.08 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 2jy9 h LEU 57 Cb 1.58 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2jy9 h LEU 57 CO 0.16 0.79 -0.15 0.74 0.09 0.00 0.00 178.44 180.07 2jy9 h THR 58 N -0.11 0.00 -2.40 0.22 2.02 -1.10 -3.47 112.91 108.08 2jy9 h THR 58 Ca 0.01 -0.50 0.29 0.00 0.77 0.00 0.00 66.41 66.98 2jy9 h THR 58 Cb 0.72 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 2jy9 h THR 58 CO 0.04 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.52 2jy9 n ALA 59 N -2.60 -3.30 -1.64 6.16 0.00 0.47 -4.93 120.51 114.67 2jy9 n ALA 59 Ca -0.05 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 2jy9 n ALA 59 Cb 0.17 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 2jy9 n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jy9 n SER 60 N -4.35 -0.31 -4.04 0.00 2.88 -1.26 -5.07 113.62 101.47 2jy9 n SER 60 Ca 0.00 -0.65 -0.26 0.00 -1.33 0.00 0.00 58.87 56.63 2jy9 n SER 60 Cb 0.62 0.09 -0.17 0.00 -0.75 0.00 0.00 64.21 64.01 2jy9 n SER 60 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2jy9 s HIS 61 N 0.00 1.61 -0.08 0.66 3.76 -1.26 -4.76 115.29 115.22 2jy9 s HIS 61 Ca 0.00 -0.62 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 2jy9 s HIS 61 Cb 0.00 -1.17 -0.08 0.00 1.11 0.00 0.00 32.58 32.44 2jy9 s HIS 61 CO 0.00 -0.31 2.76 0.72 -0.85 0.00 0.00 174.74 177.06 2jy9 n HIS 62 N 3.85 0.33 0.08 1.40 -0.00 -1.21 -2.53 115.22 117.13 2jy9 n HIS 62 Ca -0.22 -1.41 0.05 0.00 -0.00 0.00 0.00 57.72 56.14 2jy9 n HIS 62 Cb 0.52 -1.10 -0.07 0.00 -0.00 0.00 0.00 29.99 29.34 2jy9 n HIS 62 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2jy9 n LEU 63 N 1.73 0.08 -4.75 2.41 7.99 -1.26 -2.36 117.00 120.85 2jy9 n LEU 63 Ca 0.26 -0.10 -0.40 0.00 -0.01 0.00 0.00 56.01 55.76 2jy9 n LEU 63 Cb 0.69 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.95 2jy9 n LEU 63 CO 0.12 0.02 0.55 -0.63 -1.51 0.00 0.00 177.39 175.95 2jy9 s ILE 64 N -2.48 4.50 -0.07 -0.08 -1.09 -1.05 -2.14 121.20 118.80 2jy9 s ILE 64 Ca -0.02 1.83 -0.24 0.00 -2.23 0.00 0.00 60.65 59.99 2jy9 s ILE 64 Cb 0.06 -4.21 -0.28 0.00 -1.58 0.00 0.00 42.46 36.45 2jy9 s ILE 64 CO 0.38 0.40 0.90 -1.28 -1.23 0.00 0.00 174.94 174.11 2jy9 h SER 65 N 5.15 0.33 0.00 3.58 0.87 -0.14 -3.46 113.55 119.88 2jy9 h SER 65 Ca -0.44 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.19 2jy9 h SER 65 Cb 1.21 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2jy9 h SER 65 CO 0.70 1.22 0.00 -0.67 -0.53 0.00 0.00 176.83 177.55 2jy9 n ASP 66 N -4.30 0.00 -2.32 6.23 2.03 -1.25 -4.57 116.55 112.36 2jy9 n ASP 66 Ca -0.12 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.99 2jy9 n ASP 66 Cb 0.68 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.00 6.02 -1.03 1.67 2.03 -1.26 -4.47 116.55 119.52 2jy9 n ASP 67 Ca 0.00 -2.73 -0.10 0.00 0.52 0.00 0.00 54.79 52.48 2jy9 n ASP 67 Cb 0.00 -1.37 -0.02 0.00 -0.72 0.00 0.00 41.12 39.01 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 2.08 0.35 3.51 0.27 0.00 -1.26 -4.67 105.19 105.47 2jy9 n GLY 68 Ca 0.49 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.46 3.19 -0.06 1.61 0.11 -1.26 -1.52 120.40 120.01 2jy9 s VAL 69 Ca 0.00 -0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 58.08 2jy9 s VAL 69 Cb 0.00 -2.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 2jy9 s VAL 69 CO 0.00 0.46 0.29 -0.63 -3.33 0.00 0.00 175.10 171.89 2jy9 s ILE 70 N -0.87 5.24 -0.18 7.04 1.01 0.12 0.58 121.20 134.14 2jy9 s ILE 70 Ca 0.14 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.36 2jy9 s ILE 70 Cb -0.11 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.82 2jy9 s ILE 70 CO 0.04 0.59 -0.12 -0.51 0.00 0.00 0.00 174.94 174.95 2jy9 s ILE 71 N -1.02 1.64 -0.02 2.92 1.10 -0.91 -3.47 121.20 121.44 2jy9 s ILE 71 Ca 0.20 -0.91 0.06 0.00 -0.51 0.00 0.00 60.65 59.49 2jy9 s ILE 71 Cb -0.15 -1.66 -0.01 0.00 0.15 0.00 0.00 42.46 40.79 2jy9 s ILE 71 CO 0.09 0.26 -0.19 -0.63 -2.11 0.00 0.00 174.94 172.36 2jy9 s ILE 72 N 1.42 1.52 0.22 2.00 -1.09 -1.25 -4.84 121.20 119.17 2jy9 s ILE 72 Ca 0.01 -0.82 0.09 0.00 -2.23 0.00 0.00 60.65 57.70 2jy9 s ILE 72 Cb -0.15 -1.26 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 2jy9 s ILE 72 CO -0.09 0.43 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.47 2jy9 s LYS 73 N -0.42 2.20 -0.19 2.79 3.01 -1.26 -3.74 119.74 122.14 2jy9 s LYS 73 Ca 0.07 -1.33 -0.08 0.00 -1.01 0.00 0.00 55.97 53.61 2jy9 s LYS 73 Cb -0.08 -2.17 0.08 0.00 -1.01 0.00 0.00 37.83 34.65 2jy9 s LYS 73 CO -0.01 0.40 0.42 0.00 0.51 0.00 0.00 175.35 176.68 2jy9 s ALA 74 N -2.03 -1.14 -0.30 5.17 0.00 -0.85 -4.85 121.76 117.76 2jy9 s ALA 74 Ca 0.28 1.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.75 2jy9 s ALA 74 Cb -0.08 -1.20 0.19 0.00 0.00 0.00 0.00 23.12 22.03 2jy9 s ALA 74 CO 0.18 -0.59 0.80 1.14 0.00 0.00 0.00 175.76 177.29 2jy9 s GLN 75 N 2.20 0.38 0.00 0.00 -2.07 -1.26 -0.20 119.66 118.72 2jy9 s GLN 75 Ca -0.04 0.52 -0.00 0.00 -1.82 0.00 0.00 55.36 54.02 2jy9 s GLN 75 Cb -0.11 0.27 -0.00 0.00 -1.09 0.00 0.00 33.01 32.08 2jy9 s GLN 75 CO -0.13 -0.57 -0.01 0.39 -1.32 0.00 0.00 175.29 173.65 2jy9 n GLU 76 N 5.37 0.01 0.00 9.60 -0.58 -1.26 -5.06 120.64 128.71 2jy9 n GLU 76 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2jy9 n GLU 76 Cb 0.54 -0.19 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 2jy9 n GLU 76 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2jy9 n PHE 77 N -2.60 0.00 0.00 -0.32 3.01 -1.26 -5.07 117.46 111.22 2jy9 n PHE 77 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2jy9 n PHE 77 Cb 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 2jy9 n PHE 77 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2jy9 n ARG 78 N -0.57 0.00 -2.09 -1.08 1.85 -1.26 -5.09 116.66 108.42 2jy9 n ARG 78 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2jy9 n ARG 78 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 2jy9 n ARG 78 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2jy9 s SER 79 N -0.09 6.06 0.38 2.89 0.01 -1.26 -4.86 113.70 116.82 2jy9 s SER 79 Ca 0.00 1.24 0.09 0.00 1.31 0.00 0.00 55.95 58.58 2jy9 s SER 79 Cb 0.00 -2.53 0.83 0.00 0.21 0.00 0.00 66.02 64.53 2jy9 s SER 79 CO 0.00 -1.58 1.94 1.56 0.41 0.00 0.00 173.24 175.57 2jy9 h GLN 80 N 12.08 0.64 -0.30 12.44 7.50 -1.99 -2.30 115.11 143.18 2jy9 h GLN 80 Ca -0.32 -0.04 0.07 0.00 0.50 0.00 0.00 58.65 58.86 2jy9 h GLN 80 Cb 1.15 -0.14 -0.08 0.00 0.05 0.00 0.00 27.48 28.46 2jy9 h GLN 80 CO 1.04 0.42 -0.24 1.49 -1.50 0.00 0.00 178.83 180.04 2jy9 h GLU 81 N 0.66 -0.22 -0.47 1.46 4.81 -1.98 0.32 114.58 119.16 2jy9 h GLU 81 Ca 0.34 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 2jy9 h GLU 81 Cb 0.45 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2jy9 h GLU 81 CO -0.12 -0.14 0.14 1.25 -0.73 0.00 0.00 179.01 179.41 2jy9 h LEU 82 N -0.22 0.69 -0.53 1.64 5.85 -1.82 0.60 115.31 121.51 2jy9 h LEU 82 Ca 0.15 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.50 2jy9 h LEU 82 Cb 0.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jy9 h LEU 82 CO -0.43 0.72 -0.59 0.78 -0.34 0.00 0.00 178.44 178.58 2jy9 h ASN 83 N 0.63 0.52 0.07 1.25 -0.26 -1.34 -1.16 115.58 115.29 2jy9 h ASN 83 Ca 0.15 -0.29 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 2jy9 h ASN 83 Cb 0.28 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2jy9 h ASN 83 CO -0.00 0.99 -0.03 -0.09 -1.06 0.00 0.00 177.43 177.23 2jy9 h ARG 84 N 0.34 -0.09 -0.51 0.81 2.43 -0.08 0.01 114.38 117.30 2jy9 h ARG 84 Ca -0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2jy9 h ARG 84 Cb 1.13 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 2jy9 h ARG 84 CO 0.10 0.15 0.13 0.93 -1.51 0.00 0.00 179.97 179.78 2jy9 h GLU 85 N -0.32 0.27 -0.39 0.20 4.39 -0.82 -0.87 114.58 117.05 2jy9 h GLU 85 Ca -0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2jy9 h GLU 85 Cb 0.28 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2jy9 h GLU 85 CO 0.02 0.18 0.22 0.00 -1.16 0.00 0.00 179.01 178.27 2jy9 h ALA 86 N 1.38 0.50 -0.49 3.43 0.00 -1.09 -0.97 119.26 122.02 2jy9 h ALA 86 Ca 0.25 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2jy9 h ALA 86 Cb 0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2jy9 h ALA 86 CO -0.31 0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.21 2jy9 h ALA 87 N 1.08 0.62 0.01 0.00 0.00 -0.38 0.10 119.26 120.69 2jy9 h ALA 87 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jy9 h ALA 87 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jy9 h ALA 87 CO -0.02 -0.09 -0.00 0.82 0.00 0.00 0.00 179.25 179.95 2jy9 h ILE 88 N 0.49 1.14 -0.93 0.00 2.04 -0.97 -1.96 117.51 117.33 2jy9 h ILE 88 Ca 0.21 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2jy9 h ILE 88 Cb 0.11 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2jy9 h ILE 88 CO -0.14 0.11 0.57 0.00 0.00 0.00 0.00 178.15 178.69 2jy9 h ALA 89 N 0.80 1.26 -0.56 1.87 0.00 -0.89 -2.10 119.26 119.64 2jy9 h ALA 89 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2jy9 h ALA 89 Cb 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2jy9 h ALA 89 CO 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 2jy9 h ARG 90 N 1.28 1.04 -0.34 0.00 3.08 -0.68 -1.35 114.38 117.40 2jy9 h ARG 90 Ca 0.34 -0.37 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2jy9 h ARG 90 Cb -0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2jy9 h ARG 90 CO -0.07 1.06 -0.29 1.37 -1.07 0.00 0.00 179.97 180.97 2jy9 h LEU 91 N 0.93 0.74 -0.62 3.04 8.10 -1.00 0.07 115.31 126.57 2jy9 h LEU 91 Ca 0.15 -0.29 -0.03 0.00 0.11 0.00 0.00 57.88 57.82 2jy9 h LEU 91 Cb 0.64 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.63 2jy9 h LEU 91 CO 0.04 0.99 0.25 0.58 -4.11 0.00 0.00 178.44 176.19 2jy9 h VAL 92 N 0.61 1.23 -0.73 0.15 2.07 -1.22 -1.36 116.25 117.01 2jy9 h VAL 92 Ca 0.07 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2jy9 h VAL 92 Cb 0.80 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2jy9 h VAL 92 CO 0.07 0.28 0.29 0.00 0.02 0.00 0.00 177.57 178.23 2jy9 h ALA 93 N 1.10 1.13 -0.49 1.67 0.00 -0.90 -2.40 119.26 119.36 2jy9 h ALA 93 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jy9 h ALA 93 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jy9 h ALA 93 CO -0.02 0.62 0.28 0.28 0.00 0.00 0.00 179.25 180.41 2jy9 h VAL 94 N 1.06 1.17 -0.81 0.00 2.07 -0.50 0.31 116.25 119.54 2jy9 h VAL 94 Ca 0.24 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2jy9 h VAL 94 Cb 0.21 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2jy9 h VAL 94 CO -0.02 0.18 0.50 0.40 0.02 0.00 0.00 177.57 178.65 2jy9 h ILE 95 N 0.65 1.06 -0.22 4.57 2.04 -0.97 -0.98 117.51 123.65 2jy9 h ILE 95 Ca 0.17 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.57 2jy9 h ILE 95 Cb 0.04 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 2jy9 h ILE 95 CO -0.03 0.17 -0.47 0.11 0.00 0.00 0.00 178.15 177.93 2jy9 h LYS 96 N 0.94 0.58 -0.89 2.37 1.57 -1.04 -3.16 116.57 116.93 2jy9 h LYS 96 Ca 0.35 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2jy9 h LYS 96 Cb 0.12 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2jy9 h LYS 96 CO -0.16 0.93 0.58 0.93 -0.57 0.00 0.00 179.45 181.16 2jy9 h GLU 97 N 0.46 1.09 0.00 3.15 4.39 0.74 -2.26 114.58 122.15 2jy9 h GLU 97 Ca 0.03 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2jy9 h GLU 97 Cb 1.00 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2jy9 h GLU 97 CO 0.09 0.72 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.32 2jy9 h LEU 98 N 1.12 0.00 0.00 1.33 -0.00 -1.19 -2.67 115.31 113.90 2jy9 h LEU 98 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 2jy9 h LEU 98 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2jy9 h LEU 98 CO -0.12 0.27 -0.64 0.35 -0.00 0.00 0.00 178.44 178.30 2jy9 n THR 99 N -3.68 0.25 -3.98 0.22 -2.24 -0.93 -4.88 114.28 99.05 2jy9 n THR 99 Ca -0.01 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 2jy9 n THR 99 Cb 0.39 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.13 3.86 -1.26 6.98 0.00 -0.90 -5.01 121.76 122.30 2jy9 s ALA 100 Ca 0.07 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 2jy9 s ALA 100 Cb 0.14 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.60 2jy9 s ALA 100 CO 0.72 0.62 1.93 0.39 0.00 0.00 0.00 175.76 179.42 2jy9 n GLU 101 N -0.22 2.62 -3.23 0.00 -0.58 -1.26 -4.83 120.64 113.13 2jy9 n GLU 101 Ca -0.07 -2.77 -0.11 0.00 -0.42 0.00 0.00 57.16 53.79 2jy9 n GLU 101 Cb 0.53 -3.41 -0.04 0.00 -0.57 0.00 0.00 31.44 27.96 2jy9 n GLU 101 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2jy9 n GLN 102 N 7.56 0.31 -3.59 3.49 6.02 -1.26 -5.17 117.38 124.74 2jy9 n GLN 102 Ca 0.49 -1.89 -0.01 0.00 -0.01 0.00 0.00 57.00 55.58 2jy9 n GLN 102 Cb 0.43 1.64 -0.05 0.00 1.02 0.00 0.00 30.24 33.28 2jy9 n GLN 102 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2jy9 s LYS 103 N -2.70 0.51 0.08 -1.09 2.20 -1.26 -5.01 119.74 112.48 2jy9 s LYS 103 Ca 0.22 1.20 0.04 0.00 -0.36 0.00 0.00 55.97 57.07 2jy9 s LYS 103 Cb 0.01 0.63 -0.03 0.00 -1.51 0.00 0.00 37.83 36.92 2jy9 s LYS 103 CO 0.15 -0.16 -0.11 -1.12 -0.36 0.00 0.00 175.35 173.75 2jy9 s SER 104 N 2.53 1.48 -0.03 1.43 0.01 -1.26 -5.12 113.70 112.74 2jy9 s SER 104 Ca -0.06 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2jy9 s SER 104 Cb -0.09 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.14 2jy9 s SER 104 CO -0.18 -0.18 -0.02 -0.60 0.41 0.00 0.00 173.24 172.66 2jy9 s ARG 105 N -2.23 0.47 0.17 12.44 3.00 -1.26 -3.33 118.95 128.21 2jy9 s ARG 105 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 55.73 54.71 2jy9 s ARG 105 Cb -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 34.95 34.33 2jy9 s ARG 105 CO 0.01 -0.07 0.00 -2.13 0.00 0.00 0.00 175.30 173.11 2jy9 n ARG 106 N 3.86 0.00 -4.17 5.12 3.00 -1.23 -5.01 116.66 118.22 2jy9 n ARG 106 Ca -0.24 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.38 2jy9 n ARG 106 Cb 0.52 -0.05 -0.07 0.00 0.00 0.00 0.00 32.46 32.86 2jy9 n ARG 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jy9 s ALA 107 N -2.00 3.44 -0.22 5.13 0.00 -0.99 -5.08 121.76 122.03 2jy9 s ALA 107 Ca 0.00 -1.92 -0.27 0.00 0.00 0.00 0.00 51.96 49.77 2jy9 s ALA 107 Cb 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 23.12 22.64 2jy9 s ALA 107 CO 0.00 0.00 0.82 0.99 0.00 0.00 0.00 175.76 177.57 2jy9 s THR 108 N -2.49 0.00 0.00 0.00 2.01 -1.26 -4.56 115.64 109.34 2jy9 s THR 108 Ca 0.38 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2jy9 s THR 108 Cb -0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.50 2jy9 s THR 108 CO 0.22 0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.69 2jy9 n ARG 109 N 2.03 0.00 -1.67 4.92 1.74 -1.26 -5.05 116.66 117.36 2jy9 n ARG 109 Ca -0.14 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.51 2jy9 n ARG 109 Cb 0.56 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.97 2jy9 n ARG 109 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2jy9 s PRO 110 N 0.00 3.18 -0.20 5.56 0.02 -1.26 -4.96 135.00 137.35 2jy9 s PRO 110 Ca 0.00 1.94 -0.00 0.00 0.02 0.00 0.00 61.00 62.96 2jy9 s PRO 110 Cb 0.00 -4.34 0.02 0.00 0.02 0.00 0.00 34.50 30.20 2jy9 s PRO 110 CO 0.00 -2.04 -0.15 0.99 -0.33 0.00 0.00 177.00 175.47 2jy9 s THR 111 N 8.00 2.42 -0.30 0.99 2.01 -1.26 -4.69 115.64 122.81 2jy9 s THR 111 Ca 0.97 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 2jy9 s THR 111 Cb -0.31 -2.09 0.18 0.00 0.01 0.00 0.00 72.50 70.29 2jy9 s THR 111 CO 0.35 0.44 1.39 -0.60 -0.69 0.00 0.00 174.62 175.51 2jy9 s ARG 112 N 1.32 0.12 0.49 4.92 3.52 -1.26 -5.07 118.95 122.98 2jy9 s ARG 112 Ca 0.04 0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.85 2jy9 s ARG 112 Cb -0.14 0.06 0.04 0.00 -1.56 0.00 0.00 34.95 33.35 2jy9 s ARG 112 CO -0.10 -0.01 0.67 0.00 -0.81 0.00 0.00 175.30 175.05 2jy9 s ALA 113 N 0.05 4.54 -0.34 6.12 0.00 -1.26 -4.97 121.76 125.90 2jy9 s ALA 113 Ca 0.07 -1.82 0.15 0.00 0.00 0.00 0.00 51.96 50.36 2jy9 s ALA 113 Cb -0.05 -1.61 0.43 0.00 0.00 0.00 0.00 23.12 21.90 2jy9 s ALA 113 CO -0.14 -0.54 1.33 0.43 0.00 0.00 0.00 175.76 176.83 2jy9 n SER 114 N -2.04 -0.56 -2.44 0.00 7.64 -1.26 -5.10 113.62 109.85 2jy9 n SER 114 Ca 0.11 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.68 2jy9 n SER 114 Cb 0.60 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 2jy9 n SER 114 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jy9 n LYS 115 N -0.91 -0.78 -2.21 1.43 -0.00 -1.26 -4.81 118.16 109.62 2jy9 n LYS 115 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2jy9 n LYS 115 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.88 2jy9 n LYS 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2jy9 n GLU 116 N -1.38 -0.67 0.00 -1.58 -0.58 -1.26 -4.82 120.64 110.35 2jy9 n GLU 116 Ca 0.00 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 2jy9 n GLU 116 Cb 0.00 -3.47 0.00 0.00 -0.57 0.00 0.00 31.44 27.40 2jy9 n GLU 116 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jy9 n ARG 117 N -1.24 0.00 -1.33 3.49 5.12 -0.61 -5.00 116.66 117.09 2jy9 n ARG 117 Ca 0.01 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2jy9 n ARG 117 Cb 0.46 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.76 2jy9 n ARG 117 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2jy9 n ARG 118 N 0.00 -0.30 -3.15 5.56 0.00 0.60 -4.87 116.66 114.50 2jy9 n ARG 118 Ca 0.00 0.69 0.05 0.00 -0.00 0.00 0.00 57.85 58.58 2jy9 n ARG 118 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 32.46 31.45 2jy9 n ARG 118 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jy9 s LEU 119 N -0.04 -1.02 0.01 6.15 2.96 -1.26 -4.96 118.68 120.52 2jy9 s LEU 119 Ca -0.01 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 2jy9 s LEU 119 Cb 0.00 1.76 -0.02 0.00 0.50 0.00 0.00 46.19 48.42 2jy9 s LEU 119 CO 0.02 -0.19 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.20 2jy9 s SER 120 N 2.90 2.69 0.36 3.68 0.01 -1.26 -3.22 113.70 118.86 2jy9 s SER 120 Ca 0.14 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.96 2jy9 s SER 120 Cb -0.10 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 65.91 2jy9 s SER 120 CO -0.20 0.24 0.34 -0.24 0.41 0.00 0.00 173.24 173.78 2jy9 n SER 121 N 2.16 1.94 -3.60 2.44 2.88 0.65 -4.88 113.62 115.21 2jy9 n SER 121 Ca -0.16 -2.18 -0.05 0.00 -1.33 0.00 0.00 58.87 55.15 2jy9 n SER 121 Cb 0.53 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 2jy9 n SER 121 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jy9 s LYS 122 N -3.54 0.42 0.01 -1.46 2.20 -1.26 -1.39 119.74 114.72 2jy9 s LYS 122 Ca 0.25 1.13 -0.13 0.00 -0.36 0.00 0.00 55.97 56.86 2jy9 s LYS 122 Cb -0.02 0.45 0.02 0.00 -1.51 0.00 0.00 37.83 36.77 2jy9 s LYS 122 CO 0.16 -0.29 0.28 0.00 -0.36 0.00 0.00 175.35 175.15 2jy9 s ALA 123 N 2.71 -0.68 -0.29 3.13 0.00 -1.26 -5.06 121.76 120.31 2jy9 s ALA 123 Ca -0.01 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 2jy9 s ALA 123 Cb -0.12 0.18 0.12 0.00 0.00 0.00 0.00 23.12 23.29 2jy9 s ALA 123 CO -0.15 -0.32 0.75 -1.14 0.00 0.00 0.00 175.76 174.90 2jy9 s GLN 124 N -1.85 0.56 -0.30 0.00 0.74 -1.26 -4.94 119.66 112.61 2jy9 s GLN 124 Ca -0.10 1.18 -0.10 0.00 0.05 0.00 0.00 55.36 56.39 2jy9 s GLN 124 Cb -0.04 0.47 0.14 0.00 1.10 0.00 0.00 33.01 34.68 2jy9 s GLN 124 CO 0.01 -0.15 0.68 0.21 -0.55 0.00 0.00 175.29 175.49 2jy9 s LYS 125 N 2.22 0.55 0.09 1.67 2.36 -1.26 -5.17 119.74 120.20 2jy9 s LYS 125 Ca -0.07 1.35 0.09 0.00 -2.55 0.00 0.00 55.97 54.79 2jy9 s LYS 125 Cb -0.08 0.81 -0.03 0.00 -1.05 0.00 0.00 37.83 37.48 2jy9 s LYS 125 CO -0.19 -0.22 -0.24 -1.54 1.55 0.00 0.00 175.35 174.71 2jy9 s SER 126 N 2.85 2.98 -0.05 1.43 1.04 -1.26 -5.14 113.70 115.55 2jy9 s SER 126 Ca -0.04 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2jy9 s SER 126 Cb -0.12 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.81 2jy9 s SER 126 CO -0.19 0.17 -0.09 -0.44 0.98 0.00 0.00 173.24 173.67 2jy9 s SER 127 N -1.72 1.39 0.03 7.02 0.01 -1.26 -5.14 113.70 114.04 2jy9 s SER 127 Ca 0.11 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.16 2jy9 s SER 127 Cb -0.10 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.49 2jy9 s SER 127 CO 0.04 0.01 -0.07 0.68 0.41 0.00 0.00 173.24 174.31 2jy9 s VAL 128 N 0.68 0.46 0.31 3.43 -7.23 -1.26 -5.17 120.40 111.63 2jy9 s VAL 128 Ca -0.12 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 2jy9 s VAL 128 Cb -0.14 -0.52 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 2jy9 s VAL 128 CO 0.02 -0.34 0.42 -1.59 -0.31 0.00 0.00 175.10 173.30 2jy9 s LYS 129 N -1.39 1.77 0.05 4.82 -2.85 -1.26 -5.19 119.74 115.70 2jy9 s LYS 129 Ca -0.09 -1.70 -0.03 0.00 -1.00 0.00 0.00 55.97 53.15 2jy9 s LYS 129 Cb -0.09 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2jy9 s LYS 129 CO 0.00 -0.71 0.02 0.00 0.10 0.00 0.00 175.35 174.76 2jy9 s ALA 130 N -3.35 0.29 0.34 0.59 0.00 -1.26 -5.17 121.76 113.20 2jy9 s ALA 130 Ca 0.31 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2jy9 s ALA 130 Cb 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2jy9 s ALA 130 CO 0.19 -0.37 0.28 -0.48 0.00 0.00 0.00 175.76 175.37 2jy9 s LEU 131 N -2.71 1.80 0.08 0.00 2.34 -1.26 -5.18 118.68 113.75 2jy9 s LEU 131 Ca 0.04 -1.79 0.01 0.00 0.06 0.00 0.00 54.13 52.45 2jy9 s LEU 131 Cb 0.05 0.54 -0.04 0.00 -0.56 0.00 0.00 46.19 46.18 2jy9 s LEU 131 CO -0.09 -1.07 -0.06 0.00 -1.06 0.00 0.00 176.35 174.07 2jy9 s ARG 132 N -3.41 0.73 0.25 1.48 1.70 -1.26 -5.17 118.95 113.27 2jy9 s ARG 132 Ca 0.40 -1.20 0.04 0.00 -0.47 0.00 0.00 55.73 54.49 2jy9 s ARG 132 Cb 0.02 -0.14 0.04 0.00 -0.57 0.00 0.00 34.95 34.30 2jy9 s ARG 132 CO 0.28 -0.02 0.32 0.41 -1.08 0.00 0.00 175.30 175.21 2jy9 n GLY 133 N 0.26 2.07 2.99 3.88 0.00 -1.26 -5.14 105.19 108.00 2jy9 n GLY 133 Ca -0.14 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 2jy9 n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jy9 s LYS 134 N -3.11 0.15 0.39 1.61 2.20 -1.26 -5.16 119.74 114.56 2jy9 s LYS 134 Ca 0.24 0.37 0.07 0.00 -0.36 0.00 0.00 55.97 56.30 2jy9 s LYS 134 Cb -0.02 -0.08 -0.00 0.00 -1.51 0.00 0.00 37.83 36.22 2jy9 s LYS 134 CO 0.16 -0.12 0.50 0.14 -0.36 0.00 0.00 175.35 175.66 2jy9 s VAL 135 N 0.85 3.35 0.01 4.02 -7.23 -1.26 -5.13 120.40 115.02 2jy9 s VAL 135 Ca -0.06 -1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2jy9 s VAL 135 Cb -0.08 -3.15 -0.02 0.00 0.56 0.00 0.00 36.38 33.70 2jy9 s VAL 135 CO -0.05 -0.06 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.06 2jy9 s ARG 136 N -4.24 0.26 -0.46 4.82 3.52 -1.26 -5.12 118.95 116.46 2jy9 s ARG 136 Ca 0.50 -0.49 -0.09 0.00 -0.13 0.00 0.00 55.73 55.53 2jy9 s ARG 136 Cb -0.09 0.09 0.12 0.00 -1.56 0.00 0.00 34.95 33.51 2jy9 s ARG 136 CO 0.31 -0.04 0.33 0.50 -0.81 0.00 0.00 175.30 175.59 2jy9 s ARG 137 N -1.18 2.45 -0.13 5.12 3.52 -1.26 -5.07 118.95 122.40 2jy9 s ARG 137 Ca -0.13 -1.74 -0.19 0.00 -0.13 0.00 0.00 55.73 53.54 2jy9 s ARG 137 Cb -0.08 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 2jy9 s ARG 137 CO -0.01 -1.16 0.52 -1.25 -0.81 0.00 0.00 175.30 172.59 2jy9 s PRO 138 N 1.35 4.32 -0.07 5.12 0.05 -1.26 -5.07 135.00 139.44 2jy9 s PRO 138 Ca 0.06 0.51 -0.06 0.00 0.05 0.00 0.00 61.00 61.55 2jy9 s PRO 138 Cb -0.26 -3.47 0.02 0.00 0.05 0.00 0.00 34.50 30.84 2jy9 s PRO 138 CO -0.01 0.07 0.18 -0.48 0.05 0.00 0.00 177.00 176.81 2jy9 s LEU 139 N 0.90 1.32 0.13 -3.56 2.34 -1.26 -5.16 118.68 113.39 2jy9 s LEU 139 Ca 0.27 0.35 0.08 0.00 0.06 0.00 0.00 54.13 54.90 2jy9 s LEU 139 Cb -0.16 0.61 -0.04 0.00 -0.56 0.00 0.00 46.19 46.05 2jy9 s LEU 139 CO 0.11 -0.07 -0.19 -0.62 -1.06 0.00 0.00 176.35 174.53 2jy9 s ASP 140 N 0.08 2.57 0.54 1.48 2.15 -1.26 -5.15 116.67 117.07 2jy9 s ASP 140 Ca -0.00 -0.78 0.06 0.00 0.43 0.00 0.00 52.55 52.26 2jy9 s ASP 140 Cb -0.01 -0.14 0.06 0.00 -0.30 0.00 0.00 42.92 42.53 2jy9 s ASP 140 CO 0.00 -0.00 0.75 -0.76 -0.17 0.00 0.00 175.17 174.99 2jy9 s LEU 141 N -2.32 3.29 0.39 -1.34 2.01 -1.26 -5.13 118.68 114.33 2jy9 s LEU 141 Ca 0.11 -0.53 0.08 0.00 0.01 0.00 0.00 54.13 53.80 2jy9 s LEU 141 Cb -0.08 -2.18 -0.02 0.00 0.01 0.00 0.00 46.19 43.92 2jy9 s LEU 141 CO 0.05 -1.21 0.34 -1.61 1.01 0.00 0.00 176.35 174.93 2jy9 s GLU 142 N -4.65 2.56 -0.28 1.70 2.02 -1.26 -5.12 118.70 113.68 2jy9 s GLU 142 Ca 0.60 -1.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 2jy9 s GLU 142 Cb -0.08 -2.38 0.12 0.00 0.10 0.00 0.00 34.13 31.89 2jy9 s GLU 142 CO 0.38 -0.10 0.21 -3.38 0.02 0.00 0.00 175.26 172.39 2jy9 s HIS 143 N -2.43 -0.10 -0.12 1.61 -3.43 -1.26 -5.13 115.29 104.43 2jy9 s HIS 143 Ca 0.45 -0.44 -0.04 0.00 -0.80 0.00 0.00 55.06 54.23 2jy9 s HIS 143 Cb -0.04 -0.64 -0.04 0.00 -1.43 0.00 0.00 32.58 30.44 2jy9 s HIS 143 CO 0.27 -0.84 0.04 -1.01 -2.00 0.00 0.00 174.74 171.20 2jy9 s HIS 144 N 2.24 3.28 0.16 0.38 3.76 -1.26 -5.11 115.29 118.73 2jy9 s HIS 144 Ca 0.09 0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.28 2jy9 s HIS 144 Cb -0.15 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 2jy9 s HIS 144 CO -0.32 0.45 -0.11 -3.38 -0.85 0.00 0.00 174.74 170.53 2jy9 s HIS 145 N -0.62 1.34 0.29 1.40 -3.43 -1.26 -5.15 115.29 107.85 2jy9 s HIS 145 Ca 0.11 -0.72 -0.07 0.00 -0.80 0.00 0.00 55.06 53.57 2jy9 s HIS 145 Cb -0.12 -0.67 -0.06 0.00 -1.43 0.00 0.00 32.58 30.30 2jy9 s HIS 145 CO 0.02 0.13 0.59 -1.58 -2.00 0.00 0.00 174.74 171.90 2jy9 s HIS 146 N -3.24 3.46 -0.00 0.38 2.46 -1.26 -5.11 115.29 111.98 2jy9 s HIS 146 Ca 0.17 0.79 -0.13 0.00 0.47 0.00 0.00 55.06 56.36 2jy9 s HIS 146 Cb 0.02 -2.21 0.02 0.00 -0.13 0.00 0.00 32.58 30.27 2jy9 s HIS 146 CO 0.02 0.16 0.27 -3.38 -2.47 0.00 0.00 174.74 169.33 2jy9 s HIS 147 N -2.04 -0.12 -0.99 3.88 -3.43 -1.26 -5.36 115.29 105.98 2jy9 s HIS 147 Ca 0.46 0.13 0.08 0.00 -0.80 0.00 0.00 55.06 54.93 2jy9 s HIS 147 Cb -0.11 0.06 0.06 0.00 -1.43 0.00 0.00 32.58 31.16 2jy9 s HIS 147 CO 0.27 -0.38 0.75 1.58 -2.00 0.00 0.00 174.74 174.96