#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqs s GLU 2 N 0.00 2.01 -0.46 0.03 1.03 -1.26 -4.48 118.70 115.57 2oqs s GLU 2 Ca 0.00 -0.47 -0.17 0.00 0.03 0.00 0.00 54.97 54.36 2oqs s GLU 2 Cb 0.00 -1.81 0.05 0.00 -0.80 0.00 0.00 34.13 31.56 2oqs s GLU 2 CO 0.00 -0.15 0.47 0.42 -1.33 0.00 0.00 175.26 174.67 2oqs s ILE 3 N 1.25 5.08 -0.74 1.83 1.09 -0.85 -5.01 121.20 123.85 2oqs s ILE 3 Ca -0.02 -0.60 -0.09 0.00 -1.10 0.00 0.00 60.65 58.84 2oqs s ILE 3 Cb -0.14 -4.13 0.19 0.00 -1.06 0.00 0.00 42.46 37.33 2oqs s ILE 3 CO -0.05 -0.57 0.62 -0.54 -0.10 0.00 0.00 174.94 174.31 2oqs s LYS 4 N 2.11 3.15 -0.09 2.79 1.02 -1.26 -1.28 119.74 126.19 2oqs s LYS 4 Ca 0.10 -2.48 -0.19 0.00 0.02 0.00 0.00 55.97 53.42 2oqs s LYS 4 Cb -0.20 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 32.94 2oqs s LYS 4 CO 0.11 -1.24 0.52 -0.51 -0.92 0.00 0.00 175.35 173.31 2oqs s LEU 5 N 0.08 4.32 -0.17 3.17 1.43 -0.94 -4.94 118.68 121.64 2oqs s LEU 5 Ca 0.17 0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 53.99 2oqs s LEU 5 Cb -0.15 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2oqs s LEU 5 CO -0.06 0.02 0.62 -0.51 0.23 0.00 0.00 176.35 176.65 2oqs s ILE 6 N 0.41 5.05 -0.28 -0.59 2.07 -1.26 -1.08 121.20 125.51 2oqs s ILE 6 Ca 0.28 1.20 -0.29 0.00 -1.41 0.00 0.00 60.65 60.43 2oqs s ILE 6 Cb -0.16 -3.94 -0.02 0.00 0.13 0.00 0.00 42.46 38.46 2oqs s ILE 6 CO 0.13 0.16 1.72 -0.54 -1.91 0.00 0.00 174.94 174.50 2oqs s LYS 7 N 1.57 3.54 0.01 3.50 -0.14 0.44 -4.95 119.74 123.71 2oqs s LYS 7 Ca 0.30 1.55 0.00 0.00 -1.36 0.00 0.00 55.97 56.45 2oqs s LYS 7 Cb -0.16 -4.13 0.00 0.00 -1.68 0.00 0.00 37.83 31.86 2oqs s LYS 7 CO 0.12 -1.60 0.01 0.41 -0.76 0.00 0.00 175.35 173.52 2oqs n GLY 8 N 5.10 3.16 0.26 -3.33 0.00 -1.26 -4.87 105.19 104.26 2oqs n GLY 8 Ca 0.21 -2.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.03 2oqs n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oqs h PRO 9 N 0.00 0.75 0.04 1.61 0.11 -2.01 -3.30 132.00 129.20 2oqs h PRO 9 Ca -0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2oqs h PRO 9 Cb 0.02 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.97 2oqs h PRO 9 CO 0.01 0.49 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.05 2oqs h LYS 10 N 0.77 -0.05 0.00 1.05 3.11 -1.96 -3.51 116.57 115.98 2oqs h LYS 10 Ca 0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.13 2oqs h LYS 10 Cb 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 2oqs h LYS 10 CO -0.14 -0.04 0.00 0.41 -2.81 0.00 0.00 179.45 176.87 2oqs n GLY 11 N 1.42 -0.57 0.32 5.01 0.00 -1.24 -4.76 105.19 105.36 2oqs n GLY 11 Ca -0.01 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 43.77 2oqs n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oqs n LEU 12 N 0.00 -0.80 -2.30 0.99 4.32 -1.26 -1.66 117.00 116.29 2oqs n LEU 12 Ca 0.00 1.53 -0.09 0.00 -0.02 0.00 0.00 56.01 57.43 2oqs n LEU 12 Cb 0.00 -0.27 0.05 0.00 -1.62 0.00 0.00 43.42 41.58 2oqs n LEU 12 CO 0.00 -1.19 0.06 0.61 -1.22 0.00 0.00 177.39 175.65 2oqs n GLY 13 N -1.19 0.01 1.55 -0.72 0.00 -1.26 0.35 105.19 103.93 2oqs n GLY 13 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 2oqs n GLY 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2oqs n PHE 14 N -2.67 -1.40 -4.46 1.61 1.16 -1.26 0.65 117.46 111.09 2oqs n PHE 14 Ca -0.15 -0.70 -0.22 0.00 -1.87 0.00 0.00 57.45 54.51 2oqs n PHE 14 Cb 0.59 0.35 -0.11 0.00 -1.61 0.00 0.00 39.48 38.70 2oqs n PHE 14 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2oqs s SER 15 N -1.89 2.47 0.31 5.98 1.04 0.23 -4.89 113.70 116.96 2oqs s SER 15 Ca 0.07 -1.37 -0.20 0.00 0.48 0.00 0.00 55.95 54.94 2oqs s SER 15 Cb -0.02 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.03 2oqs s SER 15 CO 0.04 -0.59 0.74 0.27 0.98 0.00 0.00 173.24 174.69 2oqs s ILE 16 N -3.25 0.00 0.19 -1.02 -4.36 -1.26 -2.18 121.20 109.32 2oqs s ILE 16 Ca 0.36 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 2oqs s ILE 16 Cb 0.09 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 2oqs s ILE 16 CO 0.16 0.00 0.08 0.00 0.24 0.00 0.00 174.94 175.41 2oqs s ALA 17 N -3.48 1.29 0.00 2.27 0.00 0.66 -4.77 121.76 117.73 2oqs s ALA 17 Ca 0.12 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2oqs s ALA 17 Cb -0.06 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2oqs s ALA 17 CO 0.08 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2oqs n GLY 18 N -0.28 2.53 0.00 0.00 0.00 -1.13 -1.85 105.19 104.47 2oqs n GLY 18 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2oqs n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqs n GLY 19 N 0.00 2.67 3.77 -0.02 0.00 -1.07 -0.09 105.19 110.45 2oqs n GLY 19 Ca 0.00 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 2oqs n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oqs s VAL 20 N -2.82 2.59 0.00 1.61 -7.23 -1.26 -0.20 120.40 113.09 2oqs s VAL 20 Ca 0.00 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 2oqs s VAL 20 Cb 0.00 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2oqs s VAL 20 CO 0.00 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2oqs n GLY 21 N 0.67 2.92 1.16 2.32 0.00 -1.26 -4.64 105.19 106.36 2oqs n GLY 21 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 2oqs n GLY 21 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oqs n ASN 22 N 0.00 0.64 -4.75 1.61 6.94 -0.98 -5.12 115.26 113.60 2oqs n ASN 22 Ca 0.00 -1.99 -0.37 0.00 -0.02 0.00 0.00 54.58 52.19 2oqs n ASN 22 Cb 0.00 -0.26 0.03 0.00 -2.36 0.00 0.00 39.78 37.19 2oqs n ASN 22 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2oqs s GLN 23 N 0.00 3.12 0.13 -3.83 -0.21 0.72 -2.82 119.66 116.76 2oqs s GLN 23 Ca 0.22 1.99 0.19 0.00 0.02 0.00 0.00 55.36 57.78 2oqs s GLN 23 Cb 0.26 -2.12 -0.07 0.00 1.00 0.00 0.00 33.01 32.08 2oqs s GLN 23 CO -0.11 -1.13 0.94 1.25 -2.12 0.00 0.00 175.29 174.12 2oqs h HIS 24 N 1.25 0.00 -2.76 0.91 -0.00 -1.83 -3.46 115.15 109.26 2oqs h HIS 24 Ca -0.50 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 59.72 2oqs h HIS 24 Cb 1.29 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 28.42 2oqs h HIS 24 CO 0.47 0.36 -0.39 0.42 -0.00 0.00 0.00 177.93 178.79 2oqs s ILE 25 N -3.09 -0.17 -0.02 6.26 1.01 -1.26 -5.06 121.20 118.87 2oqs s ILE 25 Ca -0.02 0.14 -0.36 0.00 0.00 0.00 0.00 60.65 60.42 2oqs s ILE 25 Cb 0.09 -0.53 -0.14 0.00 0.01 0.00 0.00 42.46 41.88 2oqs s ILE 25 CO 0.80 0.06 1.65 -2.65 0.00 0.00 0.00 174.94 174.80 2oqs n PRO 26 N 4.55 1.72 0.00 2.79 -0.02 -1.26 -2.45 135.00 140.33 2oqs n PRO 26 Ca -0.20 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2oqs n PRO 26 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oqs n GLY 27 N 3.67 2.76 3.54 -1.23 0.00 -1.26 -4.99 105.19 107.69 2oqs n GLY 27 Ca 0.21 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2oqs n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oqs s ASP 28 N 0.00 6.43 -0.03 1.61 2.15 -1.03 -4.90 116.67 120.89 2oqs s ASP 28 Ca 0.00 -0.08 0.07 0.00 0.43 0.00 0.00 52.55 52.97 2oqs s ASP 28 Cb 0.00 -2.42 0.27 0.00 -0.30 0.00 0.00 42.92 40.47 2oqs s ASP 28 CO 0.00 -1.02 1.12 0.59 -0.17 0.00 0.00 175.17 175.69 2oqs n ASN 29 N 6.99 1.98 -4.87 -0.34 3.02 -1.26 -4.19 115.26 116.59 2oqs n ASN 29 Ca 0.03 -2.13 -0.31 0.00 -0.03 0.00 0.00 54.58 52.15 2oqs n ASN 29 Cb 0.48 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2oqs s SER 30 N -0.73 6.42 0.02 6.41 0.01 -1.26 -2.59 113.70 121.97 2oqs s SER 30 Ca 0.19 1.33 -0.30 0.00 1.31 0.00 0.00 55.95 58.48 2oqs s SER 30 Cb 0.12 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2oqs s SER 30 CO 0.10 -0.64 1.23 -0.63 0.41 0.00 0.00 173.24 173.71 2oqs s ILE 31 N -2.77 4.03 0.08 1.44 1.09 -1.11 -4.60 121.20 119.35 2oqs s ILE 31 Ca 0.54 1.43 0.10 0.00 -1.10 0.00 0.00 60.65 61.61 2oqs s ILE 31 Cb -0.10 -3.92 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 2oqs s ILE 31 CO 0.41 0.06 -0.25 -0.31 -0.10 0.00 0.00 174.94 174.75 2oqs s TYR 32 N 1.57 2.36 -0.00 3.97 1.51 -0.77 0.12 117.35 126.10 2oqs s TYR 32 Ca 0.59 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.98 2oqs s TYR 32 Cb -0.29 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2oqs s TYR 32 CO 0.27 0.25 0.97 0.08 -1.11 0.00 0.00 175.55 176.00 2oqs s VAL 33 N -0.95 4.87 -0.17 0.71 1.01 -1.21 -0.25 120.40 124.42 2oqs s VAL 33 Ca 0.13 2.04 0.18 0.00 0.00 0.00 0.00 61.98 64.33 2oqs s VAL 33 Cb -0.10 -4.31 -0.25 0.00 0.00 0.00 0.00 36.38 31.71 2oqs s VAL 33 CO 0.05 0.16 0.12 0.35 0.00 0.00 0.00 175.10 175.78 2oqs n THR 34 N 3.89 1.16 -3.61 3.92 -2.24 -0.93 -3.10 114.28 113.37 2oqs n THR 34 Ca 0.06 -0.79 -0.03 0.00 -2.27 0.00 0.00 64.05 61.02 2oqs n THR 34 Cb 0.51 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2oqs s LYS 35 N -2.61 0.54 -0.24 -0.78 1.02 -1.26 -4.96 119.74 111.46 2oqs s LYS 35 Ca -0.09 1.10 -0.10 0.00 0.02 0.00 0.00 55.97 56.89 2oqs s LYS 35 Cb 0.07 0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 37.71 2oqs s LYS 35 CO 0.81 -0.14 0.15 0.42 -0.92 0.00 0.00 175.35 175.67 2oqs s ILE 36 N 2.05 5.31 0.40 2.17 1.01 -1.26 0.77 121.20 131.66 2oqs s ILE 36 Ca -0.08 0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 2oqs s ILE 36 Cb -0.07 -3.47 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 2oqs s ILE 36 CO -0.18 0.35 0.99 -0.63 0.00 0.00 0.00 174.94 175.47 2oqs s ILE 37 N 1.01 4.08 0.49 2.92 1.09 0.21 -4.94 121.20 126.06 2oqs s ILE 37 Ca 0.07 1.48 -0.24 0.00 -1.10 0.00 0.00 60.65 60.86 2oqs s ILE 37 Cb -0.13 -3.70 -0.07 0.00 -1.06 0.00 0.00 42.46 37.50 2oqs s ILE 37 CO 0.04 -0.11 1.39 -1.61 -0.10 0.00 0.00 174.94 174.55 2oqs s GLU 38 N -2.73 3.46 -2.03 2.79 2.02 -1.26 -2.41 118.70 118.54 2oqs s GLU 38 Ca 0.59 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.90 2oqs s GLU 38 Cb -0.16 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2oqs s GLU 38 CO 0.20 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2oqs n GLY 39 N 0.64 1.72 3.97 -1.39 0.00 -1.26 -4.98 105.19 103.89 2oqs n GLY 39 Ca 0.07 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2oqs n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqs s GLY 40 N -2.75 1.81 0.14 -0.02 0.00 -1.01 -4.80 107.32 100.68 2oqs s GLY 40 Ca 0.00 -1.30 -0.33 0.00 0.00 0.00 0.00 44.72 43.09 2oqs s GLY 40 CO 0.00 -1.03 1.55 0.00 0.00 0.00 0.00 173.10 173.62 2oqs h ALA 41 N 0.09 -0.75 -0.08 3.20 0.00 0.83 0.36 119.26 122.92 2oqs h ALA 41 Ca -0.42 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2oqs h ALA 41 Cb 1.29 1.17 -0.00 0.00 0.00 0.00 0.00 17.79 20.25 2oqs h ALA 41 CO 0.52 -1.04 0.03 0.00 0.00 0.00 0.00 179.25 178.76 2oqs h ALA 42 N 0.04 0.10 -0.35 0.00 0.00 -1.85 -1.01 119.26 116.20 2oqs h ALA 42 Ca 0.09 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2oqs h ALA 42 Cb 0.57 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.65 -0.30 -0.14 1.25 0.00 0.00 0.00 179.25 179.41 2oqs h HIS 43 N -0.06 -0.34 -0.51 0.00 6.17 -1.67 0.12 115.15 118.86 2oqs h HIS 43 Ca 0.03 0.04 -0.13 0.00 0.71 0.00 0.00 60.37 61.01 2oqs h HIS 43 Cb 0.20 0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.32 2oqs h HIS 43 CO -0.01 -0.22 -0.18 0.87 0.71 0.00 0.00 177.93 179.10 2oqs h LYS 44 N -0.08 1.02 0.23 5.26 1.57 -0.28 -3.24 116.57 121.04 2oqs h LYS 44 Ca 0.17 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2oqs h LYS 44 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2oqs h LYS 44 CO -0.40 1.10 -0.11 0.22 -0.57 0.00 0.00 179.45 179.69 2oqs h ASP 45 N 0.89 -0.26 0.00 0.86 1.82 -0.59 -3.47 116.42 115.66 2oqs h ASP 45 Ca 0.12 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2oqs h ASP 45 Cb 0.76 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.84 2oqs h ASP 45 CO 0.06 -0.11 0.00 0.61 -1.61 0.00 0.00 179.24 178.20 2oqs n GLY 46 N -0.97 3.00 0.29 -0.78 0.00 0.37 -4.87 105.19 102.23 2oqs n GLY 46 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2oqs n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2oqs h LYS 47 N 0.83 0.98 -5.92 1.61 3.64 -1.91 -3.42 116.57 112.38 2oqs h LYS 47 Ca 0.00 -0.22 -0.57 0.00 -1.27 0.00 0.00 60.65 58.59 2oqs h LYS 47 Cb 0.00 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.62 2oqs h LYS 47 CO 0.00 0.88 0.10 -1.17 -2.27 0.00 0.00 179.45 176.98 2oqs s LEU 48 N -9.62 4.26 0.03 5.20 0.20 -1.26 -5.06 118.68 112.43 2oqs s LEU 48 Ca -0.12 1.07 0.03 0.00 0.69 0.00 0.00 54.13 55.80 2oqs s LEU 48 Cb 0.13 -3.02 -0.02 0.00 -0.43 0.00 0.00 46.19 42.86 2oqs s LEU 48 CO 0.82 -0.16 -0.09 0.00 -0.29 0.00 0.00 176.35 176.63 2oqs s GLN 49 N 1.14 0.60 -0.19 1.98 0.00 -1.26 -4.66 119.66 117.26 2oqs s GLN 49 Ca 0.34 -0.62 -0.39 0.00 -0.00 0.00 0.00 55.36 54.70 2oqs s GLN 49 Cb -0.17 -0.48 -0.16 0.00 0.00 0.00 0.00 33.01 32.20 2oqs s GLN 49 CO 0.15 0.11 1.66 -0.89 0.00 0.00 0.00 175.29 176.32 2oqs n ILE 50 N 1.93 0.25 0.00 3.63 2.08 -1.26 -2.14 119.36 123.85 2oqs n ILE 50 Ca -0.19 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.07 2oqs n ILE 50 Cb 0.56 -1.16 0.00 0.00 -0.75 0.00 0.00 39.64 38.28 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2oqs n GLY 51 N 3.85 1.66 3.76 7.39 0.00 -1.18 -5.02 105.19 115.65 2oqs n GLY 51 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2oqs n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2oqs s ASP 52 N -1.62 4.66 0.09 1.61 1.47 -0.91 -4.84 116.67 117.12 2oqs s ASP 52 Ca 0.00 1.92 0.04 0.00 1.18 0.00 0.00 52.55 55.70 2oqs s ASP 52 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2oqs s ASP 52 CO 0.00 -1.93 0.01 -1.59 0.68 0.00 0.00 175.17 172.33 2oqs s LYS 53 N -4.55 2.59 -0.32 2.11 0.00 -1.26 -3.29 119.74 115.03 2oqs s LYS 53 Ca 0.64 -0.81 -0.12 0.00 0.00 0.00 0.00 55.97 55.68 2oqs s LYS 53 Cb -0.19 -2.57 -0.03 0.00 0.00 0.00 0.00 37.83 35.04 2oqs s LYS 53 CO 0.50 0.55 0.22 -1.17 0.00 0.00 0.00 175.35 175.44 2oqs s LEU 54 N -2.29 4.31 -0.14 2.77 0.20 0.32 -4.10 118.68 119.75 2oqs s LEU 54 Ca 0.26 -0.28 -0.10 0.00 0.69 0.00 0.00 54.13 54.70 2oqs s LEU 54 Cb -0.12 -2.12 -0.07 0.00 -0.43 0.00 0.00 46.19 43.45 2oqs s LEU 54 CO 0.18 -0.16 0.04 0.25 -0.29 0.00 0.00 176.35 176.37 2oqs h LEU 55 N 8.44 0.00 -7.74 -0.68 6.46 -0.10 -3.34 115.31 118.36 2oqs h LEU 55 Ca -0.33 -0.18 -0.18 0.00 -0.12 0.00 0.00 57.88 57.07 2oqs h LEU 55 Cb 1.17 0.00 -0.24 0.00 -0.73 0.00 0.00 40.66 40.86 2oqs h LEU 55 CO 0.60 0.81 -0.58 0.00 -0.62 0.00 0.00 178.44 178.65 2oqs s ALA 56 N -2.56 -0.21 -0.23 1.25 0.00 -0.98 -0.21 121.76 118.82 2oqs s ALA 56 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2oqs s ALA 56 Cb 0.01 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.18 2oqs s ALA 56 CO 0.25 -0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.92 2oqs s VAL 57 N -0.75 1.43 -1.08 0.00 1.01 0.33 0.20 120.40 121.53 2oqs s VAL 57 Ca -0.08 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 2oqs s VAL 57 Cb -0.05 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2oqs s VAL 57 CO 0.00 -0.09 0.93 0.59 0.00 0.00 0.00 175.10 176.53 2oqs n ASN 58 N 4.71 -4.27 0.00 3.32 4.13 -0.52 -2.58 115.26 120.05 2oqs n ASN 58 Ca -0.12 -0.48 0.00 0.00 1.68 0.00 0.00 54.58 55.66 2oqs n ASN 58 Cb 0.44 -4.32 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 2oqs n ASN 58 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2oqs n ASN 59 N -2.47 0.00 -4.89 6.41 2.85 -1.26 -4.97 115.26 110.92 2oqs n ASN 59 Ca -0.09 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.09 2oqs n ASN 59 Cb 0.59 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.57 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2oqs s VAL 60 N -1.54 4.96 -0.10 3.44 -7.23 -1.06 -5.05 120.40 113.81 2oqs s VAL 60 Ca 0.00 0.22 -0.22 0.00 -1.81 0.00 0.00 61.98 60.18 2oqs s VAL 60 Cb 0.00 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 2oqs s VAL 60 CO 0.00 -0.33 0.63 0.00 -0.31 0.00 0.00 175.10 175.08 2oqs n LEU 62 N 3.97 6.25 -0.01 0.00 7.94 0.70 -4.38 117.00 131.48 2oqs n LEU 62 Ca -0.03 -3.68 0.03 0.00 -1.11 0.00 0.00 56.01 51.22 2oqs n LEU 62 Cb 0.51 -0.80 -0.06 0.00 0.53 0.00 0.00 43.42 43.60 2oqs n LEU 62 CO 0.45 1.12 -0.61 -0.62 -1.11 0.00 0.00 177.39 176.62 2oqs n GLU 63 N -1.14 0.57 -2.54 1.96 1.02 -1.24 -2.77 120.64 116.50 2oqs n GLU 63 Ca 0.55 -0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 57.38 2oqs n GLU 63 Cb 1.51 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 2oqs n GLU 63 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2oqs n GLU 64 N -1.83 3.12 -3.85 3.49 0.28 -1.26 -4.30 120.64 116.28 2oqs n GLU 64 Ca -0.03 -4.37 -0.11 0.00 -0.16 0.00 0.00 57.16 52.49 2oqs n GLU 64 Cb 0.27 -2.12 -0.09 0.00 1.43 0.00 0.00 31.44 30.93 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2oqs s VAL 65 N -5.15 0.09 1.09 3.84 -7.23 -1.26 -5.12 120.40 106.66 2oqs s VAL 65 Ca 0.45 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.74 2oqs s VAL 65 Cb 0.40 -0.64 0.24 0.00 0.56 0.00 0.00 36.38 36.94 2oqs s VAL 65 CO -0.16 -0.41 1.06 0.42 -0.31 0.00 0.00 175.10 175.69 2oqs s THR 66 N -1.82 2.06 0.29 5.32 -4.23 -1.26 -3.54 115.64 112.45 2oqs s THR 66 Ca -0.11 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2oqs s THR 66 Cb -0.05 -2.26 0.28 0.00 1.34 0.00 0.00 72.50 71.82 2oqs s THR 66 CO -0.00 -0.02 1.87 -0.74 -0.54 0.00 0.00 174.62 175.18 2oqs h HIS 67 N -2.31 1.11 -0.52 3.99 2.76 -0.81 -2.17 115.15 117.20 2oqs h HIS 67 Ca -0.58 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 57.71 2oqs h HIS 67 Cb 1.33 -0.36 -0.11 0.00 1.55 0.00 0.00 27.41 29.83 2oqs h HIS 67 CO 0.28 0.50 -0.34 0.93 -1.30 0.00 0.00 177.93 178.00 2oqs h GLU 68 N 1.02 -0.19 -0.27 5.26 3.07 -1.91 0.35 114.58 121.91 2oqs h GLU 68 Ca 0.45 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.34 2oqs h GLU 68 Cb 0.36 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2oqs h GLU 68 CO -0.21 -0.13 0.18 1.49 -1.40 0.00 0.00 179.01 178.94 2oqs h GLU 69 N -0.20 0.30 -0.57 2.33 4.22 -1.74 0.24 114.58 119.17 2oqs h GLU 69 Ca 0.21 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.66 2oqs h GLU 69 Cb 0.55 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2oqs h GLU 69 CO -0.63 0.20 0.33 0.00 -2.18 0.00 0.00 179.01 176.73 2oqs h ALA 70 N 1.84 0.74 0.14 2.92 0.00 -0.04 0.19 119.26 125.05 2oqs h ALA 70 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 2oqs h ALA 70 Cb 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2oqs h ALA 70 CO -0.02 0.04 -1.31 0.28 0.00 0.00 0.00 179.25 178.24 2oqs h VAL 71 N 0.65 1.43 -0.75 0.00 2.07 -0.61 -2.90 116.25 116.14 2oqs h VAL 71 Ca 0.24 -3.00 -0.04 0.00 0.82 0.00 0.00 66.70 64.72 2oqs h VAL 71 Cb 0.07 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2oqs h VAL 71 CO -0.12 0.87 0.31 0.74 0.02 0.00 0.00 177.57 179.39 2oqs h THR 72 N 0.08 1.25 0.02 2.57 2.02 -0.21 0.94 112.91 119.58 2oqs h THR 72 Ca -0.16 -0.78 -0.25 0.00 0.77 0.00 0.00 66.41 66.00 2oqs h THR 72 Cb 1.99 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2oqs h THR 72 CO 0.20 0.32 -1.01 0.00 0.37 0.00 0.00 175.52 175.40 2oqs h ALA 73 N 1.25 0.26 0.00 6.16 0.00 -0.73 0.28 119.26 126.47 2oqs h ALA 73 Ca 0.25 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2oqs h ALA 73 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2oqs h ALA 73 CO -0.02 0.78 -0.48 -0.07 0.00 0.00 0.00 179.25 179.46 2oqs h LEU 74 N 0.27 0.00 0.00 0.00 -0.00 -1.32 -2.99 115.31 111.27 2oqs h LEU 74 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2oqs h LEU 74 Cb 1.66 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.32 2oqs h LEU 74 CO 0.18 0.48 -0.98 0.07 -0.00 0.00 0.00 178.44 178.19 2oqs h LYS 75 N 0.00 0.00 -3.42 1.13 2.10 -0.78 -3.41 116.57 112.20 2oqs h LYS 75 Ca -0.00 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.97 2oqs h LYS 75 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2oqs h LYS 75 CO 0.06 0.00 3.53 -1.71 -2.00 0.00 0.00 179.45 179.33 2oqs n ASN 76 N -2.64 6.71 -4.16 7.07 5.15 0.08 -4.87 115.26 122.59 2oqs n ASN 76 Ca 0.00 -2.67 -0.26 0.00 -0.60 0.00 0.00 54.58 51.05 2oqs n ASN 76 Cb 0.54 -1.58 -0.16 0.00 -0.53 0.00 0.00 39.78 38.06 2oqs n ASN 76 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2oqs s THR 77 N 2.64 1.48 0.00 -0.44 -4.23 -1.26 -4.97 115.64 108.87 2oqs s THR 77 Ca 0.60 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2oqs s THR 77 Cb 0.16 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.75 2oqs s THR 77 CO -0.07 0.42 0.00 -1.20 -0.54 0.00 0.00 174.62 173.23 2oqs n SER 78 N 2.89 0.00 -0.14 3.99 7.64 -1.26 -4.98 113.62 121.76 2oqs n SER 78 Ca -0.17 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.45 2oqs n SER 78 Cb 0.53 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.63 2oqs n SER 78 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2oqs n ASP 79 N -1.17 1.97 -4.38 6.43 5.75 -1.26 -4.68 116.55 119.20 2oqs n ASP 79 Ca 0.00 0.19 -0.19 0.00 -0.01 0.00 0.00 54.79 54.79 2oqs n ASP 79 Cb 0.00 -0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 39.29 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2oqs s PHE 80 N -2.51 1.72 -0.07 2.11 0.40 -1.26 -0.42 117.98 117.95 2oqs s PHE 80 Ca -0.38 -1.05 -0.03 0.00 -0.60 0.00 0.00 56.93 54.88 2oqs s PHE 80 Cb 0.13 -1.06 0.04 0.00 0.51 0.00 0.00 43.02 42.64 2oqs s PHE 80 CO 0.52 -0.14 0.13 0.54 0.70 0.00 0.00 175.22 176.97 2oqs s VAL 81 N -3.51 -0.18 -0.57 -0.44 0.11 -0.24 -4.83 120.40 110.73 2oqs s VAL 81 Ca 0.36 0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 59.58 2oqs s VAL 81 Cb 0.08 -0.24 0.13 0.00 -1.53 0.00 0.00 36.38 34.82 2oqs s VAL 81 CO 0.14 0.14 0.57 -0.47 -3.33 0.00 0.00 175.10 172.14 2oqs s TYR 82 N 2.01 3.23 -0.17 1.54 6.14 -1.26 -2.21 117.35 126.62 2oqs s TYR 82 Ca 0.01 -1.26 -0.16 0.00 0.64 0.00 0.00 57.07 56.29 2oqs s TYR 82 Cb -0.12 -3.85 -0.04 0.00 0.42 0.00 0.00 41.96 38.37 2oqs s TYR 82 CO -0.05 -1.08 0.39 -1.17 0.64 0.00 0.00 175.55 174.28 2oqs s LEU 83 N 1.75 4.20 0.17 6.97 0.20 -0.40 -1.44 118.68 130.13 2oqs s LEU 83 Ca 0.06 0.58 0.09 0.00 0.69 0.00 0.00 54.13 55.55 2oqs s LEU 83 Cb -0.27 -2.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.92 2oqs s LEU 83 CO 0.03 -0.02 -0.08 -0.54 -0.29 0.00 0.00 176.35 175.45 2oqs s LYS 84 N 0.95 2.11 -0.01 1.98 -0.14 0.13 -2.01 119.74 122.75 2oqs s LYS 84 Ca 0.20 -1.23 0.02 0.00 -1.36 0.00 0.00 55.97 53.60 2oqs s LYS 84 Cb -0.14 -2.20 -0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2oqs s LYS 84 CO 0.07 0.44 -0.07 0.08 -0.76 0.00 0.00 175.35 175.12 2oqs s VAL 85 N -1.67 0.60 0.17 3.17 1.01 -1.26 0.63 120.40 123.05 2oqs s VAL 85 Ca 0.25 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2oqs s VAL 85 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2oqs s VAL 85 CO 0.15 0.18 0.21 0.00 0.00 0.00 0.00 175.10 175.64 2oqs s ALA 86 N 0.01 3.74 -0.29 5.51 0.00 -1.26 -4.73 121.76 124.74 2oqs s ALA 86 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2oqs s ALA 86 Cb -0.05 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.57 2oqs s ALA 86 CO -0.00 0.49 -0.01 0.15 0.00 0.00 0.00 175.76 176.38 2oqs s LYS 87 N -3.24 2.53 0.02 0.00 1.02 -1.26 -4.72 119.74 114.08 2oqs s LYS 87 Ca 0.33 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 2oqs s LYS 87 Cb -0.10 -3.14 -0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2oqs s LYS 87 CO 0.26 -0.57 1.84 -1.25 -0.92 0.00 0.00 175.35 174.71 2oqs s PRO 88 N 1.27 4.16 -0.03 -1.68 0.04 -1.26 -4.99 135.00 132.51 2oqs s PRO 88 Ca -0.04 2.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 2oqs s PRO 88 Cb -0.19 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.35 2oqs s PRO 88 CO -0.02 -0.90 0.04 0.95 0.04 0.00 0.00 177.00 177.12 2oqs s THR 89 N 4.08 -0.08 0.00 1.26 -4.23 -1.26 -5.13 115.64 110.27 2oqs s THR 89 Ca 0.82 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2oqs s THR 89 Cb -0.40 -0.11 0.00 0.00 1.34 0.00 0.00 72.50 73.33 2oqs s THR 89 CO 0.37 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 2oqs n GLY 90 N 4.67 4.88 0.11 3.99 0.00 -1.26 -5.07 105.19 112.51 2oqs n GLY 90 Ca -0.17 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 2oqs n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2oqs h SER 91 N 0.00 0.34 0.00 1.61 0.02 -2.07 -3.58 113.55 109.87 2oqs h SER 91 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2oqs h SER 91 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2oqs h SER 91 CO 0.00 1.43 0.00 1.41 -1.14 0.00 0.00 176.83 178.53