#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 1.38 -0.04 0.03 1.03 -1.26 -0.33 118.70 119.51 2oqs s GLU 2 Ca 0.00 -1.58 -0.03 0.00 0.03 0.00 0.00 54.97 53.39 2oqs s GLU 2 Cb 0.00 -1.31 0.01 0.00 -0.80 0.00 0.00 34.13 32.04 2oqs s GLU 2 CO 0.00 0.24 0.11 0.42 -1.33 0.00 0.00 175.26 174.69 2oqs s ILE 3 N -2.64 -0.01 -0.76 1.83 1.09 -0.91 -5.02 121.20 114.78 2oqs s ILE 3 Ca 0.22 0.03 -0.12 0.00 -1.10 0.00 0.00 60.65 59.68 2oqs s ILE 3 Cb -0.03 -0.16 0.20 0.00 -1.06 0.00 0.00 42.46 41.41 2oqs s ILE 3 CO 0.08 0.01 0.68 -0.54 -0.10 0.00 0.00 174.94 175.07 2oqs s LYS 4 N 0.22 3.34 -0.14 2.79 3.01 -1.26 -2.68 119.74 125.01 2oqs s LYS 4 Ca -0.01 -2.40 -0.21 0.00 -1.01 0.00 0.00 55.97 52.34 2oqs s LYS 4 Cb -0.02 -4.28 -0.03 0.00 -1.01 0.00 0.00 37.83 32.48 2oqs s LYS 4 CO -0.01 -1.27 0.61 -0.51 0.51 0.00 0.00 175.35 174.68 2oqs s LEU 5 N 0.27 4.22 -0.16 3.17 1.43 -1.04 -4.97 118.68 121.60 2oqs s LEU 5 Ca 0.16 0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 54.00 2oqs s LEU 5 Cb -0.14 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2oqs s LEU 5 CO -0.07 -0.16 0.49 -0.51 0.23 0.00 0.00 176.35 176.33 2oqs s ILE 6 N 1.29 5.15 -0.14 -0.59 2.07 -1.26 -1.16 121.20 126.56 2oqs s ILE 6 Ca 0.30 0.94 -0.29 0.00 -1.41 0.00 0.00 60.65 60.20 2oqs s ILE 6 Cb -0.16 -3.82 -0.06 0.00 0.13 0.00 0.00 42.46 38.55 2oqs s ILE 6 CO 0.12 0.25 2.04 -0.75 -1.91 0.00 0.00 174.94 174.70 2oqs s LYS 7 N 1.12 3.54 0.00 3.50 2.47 -0.05 -4.97 119.74 125.35 2oqs s LYS 7 Ca 0.25 2.13 0.00 0.00 -1.56 0.00 0.00 55.97 56.79 2oqs s LYS 7 Cb -0.15 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 31.96 2oqs s LYS 7 CO 0.10 -1.63 0.00 0.41 0.16 0.00 0.00 175.35 174.39 2oqs n GLY 8 N 5.22 2.30 0.00 5.54 0.00 -1.26 -4.96 105.19 112.03 2oqs n GLY 8 Ca 0.25 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2oqs n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oqs n PRO 9 N 0.00 0.00 0.37 1.61 -0.02 -1.26 -4.34 135.00 131.36 2oqs n PRO 9 Ca 0.00 0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.34 2oqs n PRO 9 Cb 0.00 -0.90 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 2oqs n PRO 9 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2oqs h LYS 10 N 0.00 -0.94 0.00 -0.52 1.57 -1.97 -3.50 116.57 111.21 2oqs h LYS 10 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2oqs h LYS 10 Cb 0.00 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2oqs h LYS 10 CO 0.00 -0.62 0.00 0.41 -0.57 0.00 0.00 179.45 178.67 2oqs n GLY 11 N -0.69 0.18 0.28 3.86 0.00 -1.26 -4.87 105.19 102.68 2oqs n GLY 11 Ca -0.12 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.71 -2.13 0.99 4.32 -1.26 -1.59 117.00 116.62 2oqs n LEU 12 Ca 0.00 1.38 -0.09 0.00 -0.02 0.00 0.00 56.01 57.28 2oqs n LEU 12 Cb 0.00 -0.25 0.04 0.00 -1.62 0.00 0.00 43.42 41.60 2oqs n LEU 12 CO 0.00 -1.06 0.07 0.61 -1.22 0.00 0.00 177.39 175.79 2oqs n GLY 13 N -1.17 0.10 1.38 -0.72 0.00 -1.26 0.49 105.19 104.01 2oqs n GLY 13 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.78 -1.20 -4.44 1.61 1.16 -1.26 0.11 117.46 110.65 2oqs n PHE 14 Ca -0.11 -0.58 -0.22 0.00 -1.87 0.00 0.00 57.45 54.67 2oqs n PHE 14 Cb 0.57 0.29 -0.09 0.00 -1.61 0.00 0.00 39.48 38.63 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 -1.82 2.26 0.31 5.98 1.04 0.21 -4.88 113.70 116.80 2oqs s SER 15 Ca 0.07 -1.53 -0.16 0.00 0.48 0.00 0.00 55.95 54.80 2oqs s SER 15 Cb -0.01 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.40 2oqs s SER 15 CO 0.03 -0.81 0.66 0.27 0.98 0.00 0.00 173.24 174.37 2oqs s ILE 16 N -3.37 0.00 0.18 -1.02 -0.00 -1.26 -2.19 121.20 113.54 2oqs s ILE 16 Ca 0.31 -1.15 0.02 0.00 -0.00 0.00 0.00 60.65 59.83 2oqs s ILE 16 Cb 0.05 -2.33 -0.05 0.00 -0.00 0.00 0.00 42.46 40.13 2oqs s ILE 16 CO 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 174.94 175.09 2oqs s ALA 17 N -3.45 1.39 0.00 2.27 0.00 0.12 -4.70 121.76 117.40 2oqs s ALA 17 Ca 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2oqs s ALA 17 Cb -0.04 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2oqs s ALA 17 CO 0.10 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2oqs n GLY 18 N -0.26 2.54 0.00 0.00 0.00 -1.12 -1.88 105.19 104.48 2oqs n GLY 18 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.03 2.65 3.77 -0.02 0.00 -1.12 0.20 105.19 110.64 2oqs n GLY 19 Ca 0.00 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 2oqs n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqs s VAL 20 N -2.71 2.51 0.00 1.61 1.01 -1.26 0.27 120.40 121.83 2oqs s VAL 20 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2oqs s VAL 20 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2oqs s VAL 20 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2oqs n GLY 21 N 0.68 2.94 0.54 4.51 0.00 -1.26 -4.63 105.19 107.97 2oqs n GLY 21 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.41 -4.72 1.61 0.23 -0.92 -5.11 115.26 106.77 2oqs n ASN 22 Ca 0.00 -2.17 -0.38 0.00 -0.53 0.00 0.00 54.58 51.50 2oqs n ASN 22 Cb 0.00 -0.24 0.05 0.00 -2.08 0.00 0.00 39.78 37.50 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqs n GLN 23 N -0.15 1.50 0.02 -3.83 6.02 0.14 -2.78 117.38 118.31 2oqs n GLN 23 Ca 0.03 0.56 -0.02 0.00 -0.01 0.00 0.00 57.00 57.55 2oqs n GLN 23 Cb 0.73 -2.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.42 2oqs n GLN 23 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oqs h HIS 24 N 1.21 0.00 -2.98 1.08 -0.00 -1.84 -3.45 115.15 109.17 2oqs h HIS 24 Ca -0.50 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.68 2oqs h HIS 24 Cb 1.32 0.00 -0.29 0.00 -0.00 0.00 0.00 27.41 28.44 2oqs h HIS 24 CO 0.44 0.70 -0.46 0.42 -0.00 0.00 0.00 177.93 179.02 2oqs s ILE 25 N -2.83 -0.04 0.10 6.26 1.01 -1.26 -5.08 121.20 119.36 2oqs s ILE 25 Ca -0.03 0.14 -0.33 0.00 0.00 0.00 0.00 60.65 60.43 2oqs s ILE 25 Cb 0.08 -0.41 -0.12 0.00 0.01 0.00 0.00 42.46 42.03 2oqs s ILE 25 CO 0.81 0.06 1.76 -0.81 0.00 0.00 0.00 174.94 176.76 2oqs n PRO 26 N 4.20 2.49 0.00 2.79 -0.04 -1.26 -2.72 135.00 140.46 2oqs n PRO 26 Ca -0.25 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 2oqs n PRO 26 Cb 0.53 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oqs n GLY 27 N 4.01 2.96 3.48 0.55 0.00 -1.26 -5.00 105.19 109.93 2oqs n GLY 27 Ca 0.18 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 6.18 -0.06 1.61 2.15 -1.10 -4.94 116.67 120.51 2oqs s ASP 28 Ca 0.00 -0.72 0.05 0.00 0.43 0.00 0.00 52.55 52.31 2oqs s ASP 28 Cb 0.00 -2.21 0.24 0.00 -0.30 0.00 0.00 42.92 40.65 2oqs s ASP 28 CO 0.00 -0.55 0.96 0.59 -0.17 0.00 0.00 175.17 176.00 2oqs n ASN 29 N 5.50 2.18 -4.88 -0.34 3.02 -1.26 -4.25 115.26 115.22 2oqs n ASN 29 Ca -0.08 -2.22 -0.30 0.00 -0.03 0.00 0.00 54.58 51.95 2oqs n ASN 29 Cb 0.47 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.43 6.33 -0.03 6.41 0.01 -1.26 -2.81 113.70 121.92 2oqs s SER 30 Ca 0.17 1.22 -0.30 0.00 1.31 0.00 0.00 55.95 58.34 2oqs s SER 30 Cb 0.12 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2oqs s SER 30 CO 0.06 -0.66 1.25 -0.63 0.41 0.00 0.00 173.24 173.67 2oqs s ILE 31 N -2.84 4.09 0.11 1.44 -1.09 -1.12 -4.61 121.20 117.18 2oqs s ILE 31 Ca 0.52 1.45 0.10 0.00 -2.23 0.00 0.00 60.65 60.49 2oqs s ILE 31 Cb -0.11 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2oqs s ILE 31 CO 0.45 0.01 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.60 2oqs s TYR 32 N 2.11 2.34 0.01 3.97 1.51 -0.78 0.15 117.35 126.66 2oqs s TYR 32 Ca 0.58 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.97 2oqs s TYR 32 Cb -0.27 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2oqs s TYR 32 CO 0.24 0.30 1.10 0.08 -1.11 0.00 0.00 175.55 176.15 2oqs s VAL 33 N -1.01 4.45 -0.20 0.71 1.01 -1.21 0.11 120.40 124.26 2oqs s VAL 33 Ca 0.14 1.76 0.17 0.00 0.00 0.00 0.00 61.98 64.05 2oqs s VAL 33 Cb -0.10 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 2oqs s VAL 33 CO 0.06 0.11 0.06 0.35 0.00 0.00 0.00 175.10 175.68 2oqs n THR 34 N 4.04 1.37 -3.65 3.92 -2.24 -0.93 -3.70 114.28 113.09 2oqs n THR 34 Ca 0.08 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 60.99 2oqs n THR 34 Cb 0.48 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.48 0.60 -0.26 -0.78 1.02 -1.26 -4.97 119.74 111.61 2oqs s LYS 35 Ca -0.11 1.38 -0.12 0.00 0.02 0.00 0.00 55.97 57.15 2oqs s LYS 35 Cb 0.06 0.68 -0.05 0.00 -0.52 0.00 0.00 37.83 38.00 2oqs s LYS 35 CO 0.81 -0.19 0.22 0.42 -0.92 0.00 0.00 175.35 175.69 2oqs s ILE 36 N 2.58 5.30 0.40 2.17 1.01 -1.26 0.68 121.20 132.07 2oqs s ILE 36 Ca -0.07 0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.63 2oqs s ILE 36 Cb -0.10 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 2oqs s ILE 36 CO -0.19 0.27 0.97 -0.63 0.00 0.00 0.00 174.94 175.36 2oqs s ILE 37 N 1.54 4.20 0.56 2.92 1.09 0.12 -4.95 121.20 126.67 2oqs s ILE 37 Ca 0.09 1.53 -0.21 0.00 -1.10 0.00 0.00 60.65 60.97 2oqs s ILE 37 Cb -0.15 -3.72 -0.05 0.00 -1.06 0.00 0.00 42.46 37.49 2oqs s ILE 37 CO 0.08 -0.14 1.26 -1.61 -0.10 0.00 0.00 174.94 174.44 2oqs s GLU 38 N -2.77 3.14 -1.51 2.79 2.02 -1.26 -2.65 118.70 118.47 2oqs s GLU 38 Ca 0.58 1.98 0.00 0.00 0.02 0.00 0.00 54.97 57.56 2oqs s GLU 38 Cb -0.14 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2oqs s GLU 38 CO 0.19 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.76 2oqs n GLY 39 N 0.61 1.38 3.96 -1.39 0.00 -1.26 -4.98 105.19 103.52 2oqs n GLY 39 Ca 0.11 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.59 1.75 0.14 -0.02 0.00 -1.08 -4.81 107.32 100.71 2oqs s GLY 40 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 44.72 43.23 2oqs s GLY 40 CO 0.00 -0.89 1.56 0.00 0.00 0.00 0.00 173.10 173.76 2oqs h ALA 41 N 0.00 -0.69 -0.03 3.20 0.00 0.10 0.37 119.26 122.23 2oqs h ALA 41 Ca -0.43 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2oqs h ALA 41 Cb 1.29 1.06 -0.00 0.00 0.00 0.00 0.00 17.79 20.14 2oqs h ALA 41 CO 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 179.25 178.80 2oqs h ALA 42 N 0.08 0.03 -0.50 0.00 0.00 -1.83 -1.02 119.26 116.03 2oqs h ALA 42 Ca 0.09 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2oqs h ALA 42 Cb 0.60 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 2oqs h ALA 42 CO -0.59 -0.33 -0.02 1.25 0.00 0.00 0.00 179.25 179.56 2oqs h HIS 43 N -0.20 -0.07 -0.28 0.00 6.17 -1.69 0.16 115.15 119.24 2oqs h HIS 43 Ca 0.01 0.04 -0.16 0.00 0.71 0.00 0.00 60.37 60.96 2oqs h HIS 43 Cb 0.26 0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.29 2oqs h HIS 43 CO 0.01 -0.13 -0.48 0.87 0.71 0.00 0.00 177.93 178.91 2oqs h LYS 44 N 0.10 0.75 0.07 5.26 1.57 -0.26 -3.26 116.57 120.80 2oqs h LYS 44 Ca 0.25 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2oqs h LYS 44 Cb 0.38 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2oqs h LYS 44 CO -0.43 1.07 -0.03 0.22 -0.57 0.00 0.00 179.45 179.70 2oqs h ASP 45 N 0.60 -0.08 0.00 0.86 1.82 -0.41 -3.47 116.42 115.73 2oqs h ASP 45 Ca 0.03 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2oqs h ASP 45 Cb 1.05 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2oqs h ASP 45 CO 0.10 0.10 0.00 0.61 -1.61 0.00 0.00 179.24 178.44 2oqs n GLY 46 N -0.69 2.99 0.20 -0.78 0.00 0.50 -4.88 105.19 102.53 2oqs n GLY 46 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 2oqs n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oqs h LYS 47 N 0.67 0.63 -5.90 1.61 1.79 -1.92 -3.41 116.57 110.06 2oqs h LYS 47 Ca 0.00 -0.09 -0.58 0.00 -2.18 0.00 0.00 60.65 57.80 2oqs h LYS 47 Cb 0.00 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.46 2oqs h LYS 47 CO 0.00 0.53 0.42 -1.17 -1.08 0.00 0.00 179.45 178.15 2oqs s LEU 48 N -9.91 4.14 0.03 2.94 0.20 -1.26 -5.05 118.68 109.78 2oqs s LEU 48 Ca -0.13 1.13 0.04 0.00 0.69 0.00 0.00 54.13 55.86 2oqs s LEU 48 Cb 0.11 -3.22 -0.02 0.00 -0.43 0.00 0.00 46.19 42.63 2oqs s LEU 48 CO 0.75 -0.44 -0.13 0.00 -0.29 0.00 0.00 176.35 176.24 2oqs s GLN 49 N 2.37 0.90 -0.11 1.98 0.00 -1.26 -4.66 119.66 118.87 2oqs s GLN 49 Ca 0.37 -0.68 -0.39 0.00 -0.00 0.00 0.00 55.36 54.67 2oqs s GLN 49 Cb -0.16 -0.88 -0.17 0.00 0.00 0.00 0.00 33.01 31.80 2oqs s GLN 49 CO 0.11 0.22 1.51 -0.89 0.00 0.00 0.00 175.29 176.24 2oqs n ILE 50 N 2.08 0.13 0.00 3.63 -0.00 -1.26 -2.25 119.36 121.69 2oqs n ILE 50 Ca -0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 2oqs n ILE 50 Cb 0.55 -0.92 0.00 0.00 -0.00 0.00 0.00 39.64 39.27 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2oqs n GLY 51 N 3.27 1.77 3.78 7.39 0.00 -1.24 -5.04 105.19 115.11 2oqs n GLY 51 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.69 5.48 0.08 1.61 1.47 -0.95 -4.89 116.67 117.78 2oqs s ASP 52 Ca 0.00 2.05 0.04 0.00 1.18 0.00 0.00 52.55 55.82 2oqs s ASP 52 Cb 0.00 -2.56 -0.04 0.00 -0.34 0.00 0.00 42.92 39.98 2oqs s ASP 52 CO 0.00 -1.38 -0.00 -1.59 0.68 0.00 0.00 175.17 172.88 2oqs s LYS 53 N -3.72 2.57 -0.39 2.11 0.00 -1.26 -3.29 119.74 115.76 2oqs s LYS 53 Ca 0.69 -0.81 -0.15 0.00 0.00 0.00 0.00 55.97 55.69 2oqs s LYS 53 Cb -0.21 -2.55 0.01 0.00 0.00 0.00 0.00 37.83 35.08 2oqs s LYS 53 CO 0.34 0.55 0.35 -1.17 0.00 0.00 0.00 175.35 175.42 2oqs s LEU 54 N -2.19 4.80 -0.13 2.77 0.20 0.39 -3.18 118.68 121.34 2oqs s LEU 54 Ca 0.25 -0.61 -0.20 0.00 0.69 0.00 0.00 54.13 54.26 2oqs s LEU 54 Cb -0.12 -2.27 -0.18 0.00 -0.43 0.00 0.00 46.19 43.19 2oqs s LEU 54 CO 0.17 -0.43 0.55 0.25 -0.29 0.00 0.00 176.35 176.60 2oqs h LEU 55 N 8.77 -0.00 -7.44 -0.68 5.85 0.62 -3.35 115.31 119.09 2oqs h LEU 55 Ca -0.28 -0.69 -0.08 0.00 0.84 0.00 0.00 57.88 57.67 2oqs h LEU 55 Cb 1.13 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.00 2oqs h LEU 55 CO 0.73 0.84 -0.14 0.00 -0.34 0.00 0.00 178.44 179.52 2oqs s ALA 56 N -2.37 -0.89 -0.12 1.25 0.00 -0.03 -0.74 121.76 118.87 2oqs s ALA 56 Ca -0.13 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 2oqs s ALA 56 Cb -0.02 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.56 2oqs s ALA 56 CO 0.48 -0.49 0.06 0.14 0.00 0.00 0.00 175.76 175.96 2oqs s VAL 57 N -2.81 0.05 -1.13 0.00 -7.23 0.39 0.62 120.40 110.30 2oqs s VAL 57 Ca -0.03 0.03 -0.07 0.00 -1.81 0.00 0.00 61.98 60.10 2oqs s VAL 57 Cb -0.00 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2oqs s VAL 57 CO -0.05 -0.04 0.98 0.59 -0.31 0.00 0.00 175.10 176.28 2oqs n ASN 58 N 5.24 -5.24 0.00 4.85 4.13 -0.78 -2.30 115.26 121.15 2oqs n ASN 58 Ca -0.06 -0.46 0.00 0.00 1.68 0.00 0.00 54.58 55.74 2oqs n ASN 58 Cb 0.49 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.40 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 -2.37 0.00 -4.86 6.41 5.15 -1.26 -5.02 115.26 113.30 2oqs n ASN 59 Ca -0.02 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.62 2oqs n ASN 59 Cb 0.56 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.76 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oqs s VAL 60 N -1.87 4.90 -0.05 3.44 -7.23 -0.97 -5.06 120.40 113.55 2oqs s VAL 60 Ca 0.00 0.61 -0.23 0.00 -1.81 0.00 0.00 61.98 60.55 2oqs s VAL 60 Cb 0.00 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 2oqs s VAL 60 CO 0.00 0.04 0.70 0.00 -0.31 0.00 0.00 175.10 175.53 2oqs n LEU 62 N 3.60 6.44 0.00 0.00 7.94 0.08 -4.82 117.00 130.25 2oqs n LEU 62 Ca -0.02 -3.65 0.00 0.00 -1.11 0.00 0.00 56.01 51.23 2oqs n LEU 62 Cb 0.51 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.64 2oqs n LEU 62 CO 0.47 1.09 0.00 -0.62 -1.11 0.00 0.00 177.39 177.22 2oqs n GLU 63 N -1.14 0.00 -0.42 1.96 1.02 -1.25 -2.81 120.64 118.00 2oqs n GLU 63 Ca 0.57 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.43 2oqs n GLU 63 Cb 1.57 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.93 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2oqs n GLU 64 N 0.00 0.32 -4.16 3.49 1.02 -1.26 -4.39 120.64 115.66 2oqs n GLU 64 Ca 0.00 -0.96 -0.13 0.00 -0.02 0.00 0.00 57.16 56.06 2oqs n GLU 64 Cb 0.00 -2.37 -0.11 0.00 -0.02 0.00 0.00 31.44 28.94 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2oqs s VAL 65 N 5.82 0.81 0.72 2.62 -7.23 -1.26 -5.09 120.40 116.79 2oqs s VAL 65 Ca 0.42 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.82 2oqs s VAL 65 Cb 0.09 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.70 2oqs s VAL 65 CO 0.17 -0.64 1.07 0.42 -0.31 0.00 0.00 175.10 175.82 2oqs s THR 66 N -2.68 3.76 0.35 5.32 -4.23 -1.26 -3.01 115.64 113.90 2oqs s THR 66 Ca 0.05 0.57 0.11 0.00 -1.18 0.00 0.00 61.69 61.25 2oqs s THR 66 Cb -0.01 -3.22 0.34 0.00 1.34 0.00 0.00 72.50 70.95 2oqs s THR 66 CO -0.01 -0.75 1.81 -0.74 -0.54 0.00 0.00 174.62 174.39 2oqs h HIS 67 N -0.88 0.84 -0.92 3.99 2.76 -0.57 0.61 115.15 120.98 2oqs h HIS 67 Ca -0.44 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 57.87 2oqs h HIS 67 Cb 1.22 -0.25 -0.08 0.00 1.55 0.00 0.00 27.41 29.84 2oqs h HIS 67 CO 0.60 0.20 0.56 1.05 -1.30 0.00 0.00 177.93 179.04 2oqs h GLU 68 N 0.61 0.88 -0.55 5.26 9.09 -1.91 -0.29 114.58 127.67 2oqs h GLU 68 Ca 0.53 -0.05 -0.06 0.00 0.05 0.00 0.00 59.36 59.83 2oqs h GLU 68 Cb 1.03 -0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 27.90 2oqs h GLU 68 CO -0.29 0.58 0.12 1.49 0.05 0.00 0.00 179.01 180.96 2oqs h GLU 69 N 0.91 0.85 -0.97 1.06 4.22 -1.22 0.41 114.58 119.84 2oqs h GLU 69 Ca 0.45 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.71 2oqs h GLU 69 Cb 0.43 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2oqs h GLU 69 CO -0.26 0.78 0.61 0.00 -2.18 0.00 0.00 179.01 177.95 2oqs h ALA 70 N 1.31 1.23 0.24 2.92 0.00 -0.87 0.01 119.26 124.10 2oqs h ALA 70 Ca 0.18 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 2oqs h ALA 70 Cb 0.32 -0.39 0.03 0.00 0.00 0.00 0.00 17.79 17.76 2oqs h ALA 70 CO 0.00 0.66 -1.48 0.28 0.00 0.00 0.00 179.25 178.71 2oqs h VAL 71 N 1.32 1.28 -0.48 0.00 2.07 -0.92 -2.88 116.25 116.65 2oqs h VAL 71 Ca 0.35 -2.72 -0.07 0.00 0.82 0.00 0.00 66.70 65.08 2oqs h VAL 71 Cb -0.10 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 2oqs h VAL 71 CO -0.07 0.82 0.02 0.74 0.02 0.00 0.00 177.57 179.10 2oqs h THR 72 N 0.14 1.24 0.11 2.57 2.02 -0.01 0.83 112.91 119.81 2oqs h THR 72 Ca -0.25 -0.96 -0.29 0.00 0.77 0.00 0.00 66.41 65.67 2oqs h THR 72 Cb 2.16 0.85 0.03 0.00 -1.74 0.00 0.00 68.15 69.44 2oqs h THR 72 CO 0.27 0.34 -1.23 0.00 0.37 0.00 0.00 175.52 175.27 2oqs h ALA 73 N 1.29 0.02 -0.03 6.16 0.00 -1.11 -1.97 119.26 123.63 2oqs h ALA 73 Ca 0.15 -0.77 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 2oqs h ALA 73 Cb 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2oqs h ALA 73 CO 0.02 0.71 -0.64 -0.07 0.00 0.00 0.00 179.25 179.27 2oqs h LEU 74 N 0.27 0.13 0.00 0.00 4.07 -1.44 -3.06 115.31 115.29 2oqs h LEU 74 Ca -0.18 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.61 2oqs h LEU 74 Cb 1.90 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.59 2oqs h LEU 74 CO 0.23 0.73 -0.44 0.07 -1.08 0.00 0.00 178.44 177.95 2oqs h LYS 75 N 0.08 0.00 -4.09 1.13 2.10 -0.89 -3.39 116.57 111.52 2oqs h LYS 75 Ca -0.01 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.96 2oqs h LYS 75 Cb 1.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2oqs h LYS 75 CO 0.09 0.41 2.90 -1.71 -2.00 0.00 0.00 179.45 179.14 2oqs n ASN 76 N -3.19 3.69 -4.14 7.07 5.15 -0.74 -4.88 115.26 118.22 2oqs n ASN 76 Ca 0.02 -2.77 -0.29 0.00 -0.60 0.00 0.00 54.58 50.95 2oqs n ASN 76 Cb 0.70 -1.48 -0.17 0.00 -0.53 0.00 0.00 39.78 38.31 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 3.71 1.67 0.00 -0.44 -4.23 -1.26 -4.99 115.64 110.10 2oqs s THR 77 Ca 0.51 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 2oqs s THR 77 Cb 0.14 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.52 2oqs s THR 77 CO -0.02 0.47 0.00 -0.24 -0.54 0.00 0.00 174.62 174.29 2oqs n SER 78 N 3.58 0.00 -0.14 3.99 2.88 -1.26 -4.98 113.62 117.69 2oqs n SER 78 Ca -0.20 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.06 2oqs n SER 78 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2oqs n ASP 79 N -1.06 1.96 -4.38 -3.46 8.00 -1.26 -4.76 116.55 111.58 2oqs n ASP 79 Ca 0.00 0.28 -0.19 0.00 0.71 0.00 0.00 54.79 55.59 2oqs n ASP 79 Cb 0.00 -0.77 -0.10 0.00 -0.02 0.00 0.00 41.12 40.23 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2oqs s PHE 80 N -2.51 1.75 -0.07 1.24 0.40 -1.26 -0.87 117.98 116.66 2oqs s PHE 80 Ca -0.38 -0.98 -0.03 0.00 -0.60 0.00 0.00 56.93 54.94 2oqs s PHE 80 Cb 0.14 -1.07 0.04 0.00 0.51 0.00 0.00 43.02 42.63 2oqs s PHE 80 CO 0.51 -0.07 0.12 0.54 0.70 0.00 0.00 175.22 177.03 2oqs s VAL 81 N -3.42 -0.20 -0.60 -0.44 0.11 -0.31 -4.86 120.40 110.68 2oqs s VAL 81 Ca 0.34 0.39 -0.17 0.00 -2.93 0.00 0.00 61.98 59.60 2oqs s VAL 81 Cb 0.07 -0.24 0.12 0.00 -1.53 0.00 0.00 36.38 34.81 2oqs s VAL 81 CO 0.13 0.16 0.65 -0.47 -3.33 0.00 0.00 175.10 172.24 2oqs s TYR 82 N 2.25 3.15 -0.09 1.54 6.14 -1.26 -2.50 117.35 126.57 2oqs s TYR 82 Ca 0.04 -1.17 -0.22 0.00 0.64 0.00 0.00 57.07 56.35 2oqs s TYR 82 Cb -0.12 -3.93 -0.03 0.00 0.42 0.00 0.00 41.96 38.29 2oqs s TYR 82 CO -0.05 -1.18 0.67 -1.17 0.64 0.00 0.00 175.55 174.46 2oqs s LEU 83 N 2.10 4.28 -0.21 6.97 2.96 -1.09 -1.87 118.68 131.82 2oqs s LEU 83 Ca 0.09 1.10 -0.02 0.00 -0.22 0.00 0.00 54.13 55.08 2oqs s LEU 83 Cb -0.25 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.43 2oqs s LEU 83 CO 0.03 -0.13 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.28 2oqs s LYS 84 N 0.98 3.15 -0.06 1.98 -0.14 0.20 -2.15 119.74 123.71 2oqs s LYS 84 Ca 0.35 -0.75 0.05 0.00 -1.36 0.00 0.00 55.97 54.26 2oqs s LYS 84 Cb -0.17 -2.82 -0.00 0.00 -1.68 0.00 0.00 37.83 33.15 2oqs s LYS 84 CO 0.16 -0.23 -0.21 0.14 -0.76 0.00 0.00 175.35 174.45 2oqs s VAL 85 N 1.38 1.79 0.30 3.17 -7.23 0.55 0.12 120.40 120.48 2oqs s VAL 85 Ca 0.05 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 2oqs s VAL 85 Cb -0.14 -1.53 -0.06 0.00 0.56 0.00 0.00 36.38 35.21 2oqs s VAL 85 CO -0.07 0.50 0.59 0.00 -0.31 0.00 0.00 175.10 175.81 2oqs s ALA 86 N 0.04 3.56 -0.20 1.32 0.00 -1.19 -4.50 121.76 120.79 2oqs s ALA 86 Ca -0.07 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2oqs s ALA 86 Cb -0.14 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2oqs s ALA 86 CO 0.04 0.24 0.19 0.15 0.00 0.00 0.00 175.76 176.38 2oqs s LYS 87 N -3.49 4.19 0.60 0.00 -0.14 -1.26 -4.45 119.74 115.20 2oqs s LYS 87 Ca 0.46 -0.13 -0.17 0.00 -1.36 0.00 0.00 55.97 54.77 2oqs s LYS 87 Cb -0.11 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 2oqs s LYS 87 CO 0.29 0.23 1.10 -1.25 -0.76 0.00 0.00 175.35 174.96 2oqs s PRO 88 N 0.54 3.12 0.00 -1.68 0.04 -1.26 -4.98 135.00 130.79 2oqs s PRO 88 Ca 0.10 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2oqs s PRO 88 Cb -0.12 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2oqs s PRO 88 CO 0.01 -0.99 0.00 0.25 0.04 0.00 0.00 177.00 176.30 2oqs n THR 89 N -1.96 0.00 0.00 1.26 -2.24 -1.26 -5.18 114.28 104.90 2oqs n THR 89 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2oqs n THR 89 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2oqs n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oqs n GLY 90 N 0.74 3.61 0.13 3.38 0.00 -1.26 -5.05 105.19 106.75 2oqs n GLY 90 Ca 0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 2oqs n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oqs n SER 91 N 0.00 1.97 0.00 1.61 7.64 -1.26 -5.35 113.62 118.24 2oqs n SER 91 Ca 0.00 0.15 0.14 0.00 1.01 0.00 0.00 58.87 60.17 2oqs n SER 91 Cb 0.00 -0.68 0.85 0.00 -1.01 0.00 0.00 64.21 63.37 2oqs n SER 91 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44