#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 1.61 -0.32 2.12 1.03 -1.26 -0.35 118.70 121.53 2oqs s GLU 2 Ca 0.00 -1.31 -0.01 0.00 0.03 0.00 0.00 54.97 53.68 2oqs s GLU 2 Cb 0.00 -1.99 0.13 0.00 -0.80 0.00 0.00 34.13 31.47 2oqs s GLU 2 CO 0.00 0.45 0.23 0.42 -1.33 0.00 0.00 175.26 175.04 2oqs s ILE 3 N -1.23 -0.15 0.10 1.83 1.01 0.24 -4.99 121.20 118.01 2oqs s ILE 3 Ca 0.17 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 2oqs s ILE 3 Cb -0.10 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.35 2oqs s ILE 3 CO 0.09 -0.70 0.37 -1.59 0.00 0.00 0.00 174.94 173.11 2oqs s LYS 4 N 1.81 3.66 0.25 2.79 -2.85 -1.26 -2.25 119.74 121.89 2oqs s LYS 4 Ca 0.13 0.01 -0.11 0.00 -1.00 0.00 0.00 55.97 55.00 2oqs s LYS 4 Cb -0.17 -2.93 -0.01 0.00 -2.06 0.00 0.00 37.83 32.67 2oqs s LYS 4 CO -0.21 0.52 0.44 -1.17 0.10 0.00 0.00 175.35 175.03 2oqs s LEU 5 N -2.28 0.45 -0.22 2.77 2.96 -1.03 -5.00 118.68 116.34 2oqs s LEU 5 Ca 0.37 -1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 53.07 2oqs s LEU 5 Cb -0.13 1.59 -0.03 0.00 0.50 0.00 0.00 46.19 48.12 2oqs s LEU 5 CO 0.21 -1.11 0.59 -0.51 -1.32 0.00 0.00 176.35 174.20 2oqs s ILE 6 N -3.98 5.04 -0.15 6.68 2.07 -1.26 -2.63 121.20 126.97 2oqs s ILE 6 Ca 0.25 1.08 -0.29 0.00 -1.41 0.00 0.00 60.65 60.27 2oqs s ILE 6 Cb 0.00 -3.90 -0.01 0.00 0.13 0.00 0.00 42.46 38.68 2oqs s ILE 6 CO 0.10 0.11 1.19 -0.75 -1.91 0.00 0.00 174.94 173.68 2oqs s LYS 7 N 1.99 4.28 0.50 3.50 2.47 -0.42 -4.97 119.74 127.09 2oqs s LYS 7 Ca 0.26 1.59 0.02 0.00 -1.56 0.00 0.00 55.97 56.28 2oqs s LYS 7 Cb -0.16 -3.68 0.02 0.00 -1.46 0.00 0.00 37.83 32.55 2oqs s LYS 7 CO 0.10 -0.61 0.71 0.20 0.16 0.00 0.00 175.35 175.91 2oqs s GLY 8 N 1.67 1.78 0.24 5.54 0.00 -1.26 -4.76 107.32 110.52 2oqs s GLY 8 Ca 0.53 -1.32 -0.07 0.00 0.00 0.00 0.00 44.72 43.86 2oqs s GLY 8 CO 0.15 -1.08 1.91 -2.55 0.00 0.00 0.00 173.10 171.52 2oqs h PRO 9 N 0.25 1.25 0.09 2.90 0.11 -1.96 -3.22 132.00 131.42 2oqs h PRO 9 Ca -0.43 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2oqs h PRO 9 Cb 1.28 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2oqs h PRO 9 CO 0.52 0.84 -0.21 -0.22 -0.21 0.00 0.00 178.00 178.73 2oqs h LYS 10 N 1.28 -0.31 0.00 1.05 3.64 -2.02 -3.49 116.57 116.72 2oqs h LYS 10 Ca 0.34 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2oqs h LYS 10 Cb -0.12 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2oqs h LYS 10 CO -0.07 -0.21 0.00 0.41 -2.27 0.00 0.00 179.45 177.31 2oqs n GLY 11 N -1.20 0.02 0.08 5.01 0.00 -1.22 -4.97 105.19 102.92 2oqs n GLY 11 Ca -0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2oqs n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oqs h LEU 12 N 0.00 0.00 -0.12 0.99 3.38 -1.92 -3.41 115.31 114.23 2oqs h LEU 12 Ca 0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2oqs h LEU 12 CO 0.00 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.21 2oqs n GLY 13 N 1.56 1.10 2.03 0.83 0.00 -1.26 0.43 105.19 109.88 2oqs n GLY 13 Ca -0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.29 -1.65 -4.55 1.61 1.16 -1.26 1.00 117.46 111.48 2oqs n PHE 14 Ca 0.00 -0.96 -0.26 0.00 -1.87 0.00 0.00 57.45 54.35 2oqs n PHE 14 Cb 0.26 0.48 -0.08 0.00 -1.61 0.00 0.00 39.48 38.53 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 -2.14 2.98 0.27 5.98 1.04 0.17 -4.90 113.70 117.10 2oqs s SER 15 Ca 0.09 -1.64 -0.17 0.00 0.48 0.00 0.00 55.95 54.70 2oqs s SER 15 Cb -0.03 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2oqs s SER 15 CO 0.06 -0.89 0.62 0.27 0.98 0.00 0.00 173.24 174.29 2oqs s ILE 16 N -3.16 0.00 0.15 -1.02 -0.00 -1.26 -2.55 121.20 113.37 2oqs s ILE 16 Ca 0.22 -1.17 -0.00 0.00 -0.00 0.00 0.00 60.65 59.70 2oqs s ILE 16 Cb 0.03 -2.11 -0.04 0.00 -0.00 0.00 0.00 42.46 40.34 2oqs s ILE 16 CO 0.13 0.00 0.05 0.00 -0.00 0.00 0.00 174.94 175.12 2oqs s ALA 17 N -3.92 1.07 0.00 2.27 0.00 0.64 -4.69 121.76 117.13 2oqs s ALA 17 Ca 0.16 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2oqs s ALA 17 Cb -0.04 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2oqs s ALA 17 CO 0.08 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2oqs n GLY 18 N -0.17 2.97 0.00 0.00 0.00 -1.09 -1.93 105.19 104.97 2oqs n GLY 18 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.39 2.37 3.77 -0.02 0.00 -0.75 0.43 105.19 110.60 2oqs n GLY 19 Ca 0.00 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.84 2.37 0.00 1.61 1.01 -1.26 0.11 120.40 121.40 2oqs s VAL 20 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2oqs s VAL 20 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2oqs s VAL 20 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2oqs n GLY 21 N 0.68 3.07 0.37 4.51 0.00 -1.26 -4.61 105.19 107.96 2oqs n GLY 21 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.08 0.42 -4.70 1.61 2.04 -0.94 -5.11 115.26 108.66 2oqs n ASN 22 Ca 0.00 -2.08 -0.39 0.00 -0.44 0.00 0.00 54.58 51.67 2oqs n ASN 22 Cb 0.00 -0.21 0.04 0.00 -2.53 0.00 0.00 39.78 37.08 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2oqs n GLN 23 N -0.24 1.46 -0.02 -3.83 6.02 0.31 -2.68 117.38 118.39 2oqs n GLN 23 Ca 0.03 0.54 -0.09 0.00 -0.01 0.00 0.00 57.00 57.47 2oqs n GLN 23 Cb 0.66 -2.44 -0.14 0.00 1.02 0.00 0.00 30.24 29.34 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 1.19 0.01 -3.49 1.08 -0.00 -1.83 -3.45 115.15 108.65 2oqs h HIS 24 Ca -0.50 -0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 59.51 2oqs h HIS 24 Cb 1.32 -0.00 -0.34 0.00 -0.00 0.00 0.00 27.41 28.39 2oqs h HIS 24 CO 0.43 1.01 -0.75 -1.50 -0.00 0.00 0.00 177.93 177.12 2oqs s ILE 25 N -2.60 0.26 -0.02 6.26 2.07 -1.26 -5.07 121.20 120.84 2oqs s ILE 25 Ca -0.05 0.03 -0.35 0.00 -1.41 0.00 0.00 60.65 58.88 2oqs s ILE 25 Cb 0.08 -0.34 -0.13 0.00 0.13 0.00 0.00 42.46 42.20 2oqs s ILE 25 CO 0.82 0.16 1.74 -2.65 -1.91 0.00 0.00 174.94 173.11 2oqs n PRO 26 N 4.08 2.00 0.00 3.50 -0.02 -1.26 -2.21 135.00 141.10 2oqs n PRO 26 Ca -0.27 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2oqs n PRO 26 Cb 0.50 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 3.96 2.82 3.44 -1.23 0.00 -1.26 -4.98 105.19 107.94 2oqs n GLY 27 Ca 0.21 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 6.14 -0.08 1.61 2.15 -0.94 -4.94 116.67 120.61 2oqs s ASP 28 Ca 0.00 -1.03 0.04 0.00 0.43 0.00 0.00 52.55 51.99 2oqs s ASP 28 Cb 0.00 -2.18 0.25 0.00 -0.30 0.00 0.00 42.92 40.69 2oqs s ASP 28 CO 0.00 -0.55 0.94 -0.46 -0.17 0.00 0.00 175.17 174.93 2oqs n ASN 29 N 5.26 2.59 -4.87 -0.34 0.23 -1.26 -4.01 115.26 112.86 2oqs n ASN 29 Ca -0.11 -2.32 -0.31 0.00 -0.53 0.00 0.00 54.58 51.31 2oqs n ASN 29 Cb 0.46 -0.57 -0.01 0.00 -2.08 0.00 0.00 39.78 37.58 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2oqs s SER 30 N -0.18 6.43 -0.15 0.53 0.01 -1.26 -1.82 113.70 117.26 2oqs s SER 30 Ca 0.17 1.36 -0.29 0.00 1.31 0.00 0.00 55.95 58.50 2oqs s SER 30 Cb 0.13 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 2oqs s SER 30 CO 0.05 -0.65 1.31 -0.63 0.41 0.00 0.00 173.24 173.73 2oqs s ILE 31 N -2.78 4.19 0.05 1.44 -1.09 -1.08 -4.53 121.20 117.39 2oqs s ILE 31 Ca 0.55 1.44 0.07 0.00 -2.23 0.00 0.00 60.65 60.48 2oqs s ILE 31 Cb -0.10 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 2oqs s ILE 31 CO 0.41 -0.13 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.51 2oqs s TYR 32 N 3.56 2.59 -0.04 3.97 1.51 -0.81 0.12 117.35 128.25 2oqs s TYR 32 Ca 0.57 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 56.10 2oqs s TYR 32 Cb -0.23 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 2oqs s TYR 32 CO 0.17 0.29 1.19 0.08 -1.11 0.00 0.00 175.55 176.17 2oqs s VAL 33 N -0.98 4.25 -0.13 0.71 1.01 -1.20 -0.26 120.40 123.80 2oqs s VAL 33 Ca 0.16 1.58 0.16 0.00 0.00 0.00 0.00 61.98 63.89 2oqs s VAL 33 Cb -0.11 -4.02 -0.24 0.00 0.00 0.00 0.00 36.38 32.02 2oqs s VAL 33 CO 0.07 0.02 0.38 0.35 0.00 0.00 0.00 175.10 175.92 2oqs n THR 34 N 4.49 1.33 -3.64 3.92 -2.24 -1.06 -3.16 114.28 113.93 2oqs n THR 34 Ca 0.10 -0.79 -0.03 0.00 -2.27 0.00 0.00 64.05 61.06 2oqs n THR 34 Cb 0.46 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.66 0.60 -0.25 -0.78 1.02 -1.26 -4.97 119.74 111.45 2oqs s LYS 35 Ca -0.07 1.33 -0.10 0.00 0.02 0.00 0.00 55.97 57.15 2oqs s LYS 35 Cb 0.08 0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 37.95 2oqs s LYS 35 CO 0.83 -0.18 0.15 0.42 -0.92 0.00 0.00 175.35 175.65 2oqs s ILE 36 N 2.45 5.14 0.37 2.17 1.01 -1.26 0.44 121.20 131.51 2oqs s ILE 36 Ca -0.07 0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 2oqs s ILE 36 Cb -0.09 -3.40 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 2oqs s ILE 36 CO -0.19 0.33 0.99 -0.63 0.00 0.00 0.00 174.94 175.44 2oqs s ILE 37 N 1.26 4.04 0.61 2.92 1.09 0.28 -4.95 121.20 126.46 2oqs s ILE 37 Ca 0.07 1.56 -0.19 0.00 -1.10 0.00 0.00 60.65 60.99 2oqs s ILE 37 Cb -0.14 -3.80 -0.03 0.00 -1.06 0.00 0.00 42.46 37.42 2oqs s ILE 37 CO 0.06 0.00 1.16 -0.62 -0.10 0.00 0.00 174.94 175.44 2oqs n GLU 38 N 0.08 1.11 -1.65 2.79 1.02 -1.26 -2.21 120.64 120.52 2oqs n GLU 38 Ca 0.04 0.43 -0.16 0.00 -0.02 0.00 0.00 57.16 57.45 2oqs n GLU 38 Cb 0.51 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.49 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oqs n GLY 39 N 1.06 1.13 3.95 0.62 0.00 -1.26 -4.95 105.19 105.73 2oqs n GLY 39 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.30 1.73 0.19 -0.02 0.00 -0.94 -4.78 107.32 101.20 2oqs s GLY 40 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 2oqs s GLY 40 CO 0.00 -0.70 1.68 0.00 0.00 0.00 0.00 173.10 174.08 2oqs h ALA 41 N -0.49 0.46 0.17 3.20 0.00 -0.26 0.35 119.26 122.70 2oqs h ALA 41 Ca -0.43 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2oqs h ALA 41 Cb 1.30 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2oqs h ALA 41 CO 0.55 -0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.33 2oqs h ALA 42 N 1.44 -0.23 -0.89 0.00 0.00 -1.88 -1.63 119.26 116.08 2oqs h ALA 42 Ca 0.25 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.11 2oqs h ALA 42 Cb 0.37 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 2oqs h ALA 42 CO -0.41 -0.33 0.45 1.25 0.00 0.00 0.00 179.25 180.21 2oqs h HIS 43 N -0.82 0.77 -0.02 0.00 6.17 -1.76 0.13 115.15 119.63 2oqs h HIS 43 Ca -0.02 0.04 -0.24 0.00 0.71 0.00 0.00 60.37 60.86 2oqs h HIS 43 Cb 0.53 -0.21 0.01 0.00 2.52 0.00 0.00 27.41 30.26 2oqs h HIS 43 CO 0.08 0.11 -0.95 0.87 0.71 0.00 0.00 177.93 178.75 2oqs h LYS 44 N 0.57 0.55 0.16 5.26 1.57 -0.37 -3.33 116.57 120.97 2oqs h LYS 44 Ca 0.51 -0.56 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2oqs h LYS 44 Cb 0.83 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2oqs h LYS 44 CO -0.42 1.19 -0.08 0.22 -0.57 0.00 0.00 179.45 179.79 2oqs h ASP 45 N 0.32 -0.18 0.00 0.86 3.58 -0.22 -3.48 116.42 117.30 2oqs h ASP 45 Ca -0.09 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2oqs h ASP 45 Cb 1.58 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.68 2oqs h ASP 45 CO 0.18 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 177.28 2oqs n GLY 46 N -0.38 3.08 0.26 -0.78 0.00 0.36 -4.90 105.19 102.83 2oqs n GLY 46 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.66 0.88 -5.61 1.61 1.57 -1.92 -3.42 116.57 110.34 2oqs h LYS 47 Ca 0.00 -0.25 -0.60 0.00 -1.87 0.00 0.00 60.65 57.94 2oqs h LYS 47 Cb 0.00 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.11 2oqs h LYS 47 CO 0.00 0.87 0.06 -1.17 -0.57 0.00 0.00 179.45 178.64 2oqs s LEU 48 N -9.48 4.14 -0.00 2.94 0.20 -1.26 -5.06 118.68 110.16 2oqs s LEU 48 Ca -0.12 0.77 0.04 0.00 0.69 0.00 0.00 54.13 55.50 2oqs s LEU 48 Cb 0.12 -2.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.05 2oqs s LEU 48 CO 0.82 -0.24 -0.13 0.00 -0.29 0.00 0.00 176.35 176.51 2oqs s GLN 49 N 1.81 1.04 -0.20 1.98 0.00 -1.26 -4.58 119.66 118.45 2oqs s GLN 49 Ca 0.27 -0.52 -0.40 0.00 -0.00 0.00 0.00 55.36 54.71 2oqs s GLN 49 Cb -0.16 -1.01 -0.17 0.00 0.00 0.00 0.00 33.01 31.67 2oqs s GLN 49 CO 0.10 0.27 1.57 0.44 0.00 0.00 0.00 175.29 177.68 2oqs n ILE 50 N 2.61 0.16 0.00 3.63 -5.35 -1.26 -2.22 119.36 116.93 2oqs n ILE 50 Ca -0.15 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2oqs n ILE 50 Cb 0.55 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.53 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2oqs n GLY 51 N 3.56 1.99 3.79 3.28 0.00 -1.19 -5.01 105.19 111.61 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 -1.85 5.09 0.15 1.61 1.47 -0.94 -4.87 116.67 117.34 2oqs s ASP 52 Ca 0.00 1.77 0.07 0.00 1.18 0.00 0.00 52.55 55.57 2oqs s ASP 52 Cb 0.00 -2.52 -0.04 0.00 -0.34 0.00 0.00 42.92 40.02 2oqs s ASP 52 CO 0.00 -1.64 -0.03 -1.59 0.68 0.00 0.00 175.17 172.59 2oqs s LYS 53 N -4.72 2.33 -0.44 2.11 -2.85 -1.26 -3.26 119.74 111.66 2oqs s LYS 53 Ca 0.61 -1.07 -0.09 0.00 -1.00 0.00 0.00 55.97 54.43 2oqs s LYS 53 Cb -0.16 -2.35 0.09 0.00 -2.06 0.00 0.00 37.83 33.35 2oqs s LYS 53 CO 0.51 0.48 0.28 -1.17 0.10 0.00 0.00 175.35 175.55 2oqs s LEU 54 N -2.70 5.34 -0.06 2.77 0.20 0.32 -3.92 118.68 120.63 2oqs s LEU 54 Ca 0.26 -1.68 -0.26 0.00 0.69 0.00 0.00 54.13 53.14 2oqs s LEU 54 Cb -0.10 -1.98 -0.23 0.00 -0.43 0.00 0.00 46.19 43.45 2oqs s LEU 54 CO 0.17 -0.59 1.05 0.25 -0.29 0.00 0.00 176.35 176.94 2oqs h LEU 55 N 8.40 0.11 -7.31 -0.68 6.46 0.35 -3.16 115.31 119.48 2oqs h LEU 55 Ca -0.22 -0.73 -0.08 0.00 -0.12 0.00 0.00 57.88 56.73 2oqs h LEU 55 Cb 1.08 -0.03 -0.18 0.00 -0.73 0.00 0.00 40.66 40.80 2oqs h LEU 55 CO 0.79 0.82 -0.07 0.00 -0.62 0.00 0.00 178.44 179.36 2oqs s ALA 56 N -3.29 -1.15 -0.04 1.25 0.00 -0.82 -0.07 121.76 117.63 2oqs s ALA 56 Ca -0.17 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 2oqs s ALA 56 Cb 0.00 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2oqs s ALA 56 CO 0.71 -0.40 0.07 0.14 0.00 0.00 0.00 175.76 176.28 2oqs s VAL 57 N -1.93 -0.12 -1.59 0.00 -7.23 0.33 0.11 120.40 109.98 2oqs s VAL 57 Ca -0.09 0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.42 2oqs s VAL 57 Cb -0.02 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.77 2oqs s VAL 57 CO 0.02 0.15 0.40 0.59 -0.31 0.00 0.00 175.10 175.95 2oqs n ASN 58 N 5.01 -5.95 0.00 4.85 4.13 -0.85 -1.75 115.26 120.71 2oqs n ASN 58 Ca -0.10 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 55.97 2oqs n ASN 58 Cb 0.50 -4.83 0.00 0.00 -1.54 0.00 0.00 39.78 33.91 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 -2.22 0.00 -4.83 6.41 2.85 -1.26 -5.04 115.26 111.17 2oqs n ASN 59 Ca -0.15 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 53.96 2oqs n ASN 59 Cb 0.64 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.60 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 -2.06 4.72 -0.13 3.44 -7.23 -0.71 -5.05 120.40 113.38 2oqs s VAL 60 Ca 0.00 1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 60.95 2oqs s VAL 60 Cb 0.00 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 2oqs s VAL 60 CO 0.00 0.19 0.82 0.00 -0.31 0.00 0.00 175.10 175.80 2oqs n LEU 62 N 4.76 4.85 -0.01 0.00 7.94 0.90 -4.34 117.00 131.09 2oqs n LEU 62 Ca 0.03 -2.71 0.10 0.00 -1.11 0.00 0.00 56.01 52.32 2oqs n LEU 62 Cb 0.50 -0.59 -0.14 0.00 0.53 0.00 0.00 43.42 43.71 2oqs n LEU 62 CO 0.48 0.72 -0.61 -1.84 -1.11 0.00 0.00 177.39 175.03 2oqs n GLU 63 N 0.58 0.62 -2.45 1.96 0.28 -1.13 -2.64 120.64 117.85 2oqs n GLU 63 Ca 0.25 -0.15 -0.20 0.00 -0.16 0.00 0.00 57.16 56.90 2oqs n GLU 63 Cb 0.98 -1.45 0.02 0.00 1.43 0.00 0.00 31.44 32.41 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2oqs n GLU 64 N -2.05 2.82 -4.05 3.44 1.02 -1.26 -4.03 120.64 116.53 2oqs n GLU 64 Ca -0.02 -4.07 -0.08 0.00 -0.02 0.00 0.00 57.16 52.97 2oqs n GLU 64 Cb 0.47 -1.98 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 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 -4.64 0.20 0.95 2.62 -7.23 -1.26 -5.11 120.40 105.93 2oqs s VAL 65 Ca 0.42 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 59.05 2oqs s VAL 65 Cb 0.41 -0.98 0.16 0.00 0.56 0.00 0.00 36.38 36.53 2oqs s VAL 65 CO -0.07 -0.77 1.09 -0.89 -0.31 0.00 0.00 175.10 174.14 2oqs s THR 66 N -2.81 2.42 0.31 5.32 2.01 -1.26 -3.68 115.64 117.94 2oqs s THR 66 Ca -0.03 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2oqs s THR 66 Cb -0.00 -2.54 0.30 0.00 0.01 0.00 0.00 72.50 70.27 2oqs s THR 66 CO -0.06 -0.18 1.82 -0.74 -0.69 0.00 0.00 174.62 174.77 2oqs h HIS 67 N -1.77 1.05 -0.60 4.92 2.76 -0.33 -1.36 115.15 119.82 2oqs h HIS 67 Ca -0.52 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 57.81 2oqs h HIS 67 Cb 1.30 -0.33 -0.10 0.00 1.55 0.00 0.00 27.41 29.83 2oqs h HIS 67 CO 0.38 0.34 0.04 1.05 -1.30 0.00 0.00 177.93 178.44 2oqs h GLU 68 N 0.85 0.15 -0.50 5.26 -0.00 -1.91 0.41 114.58 118.83 2oqs h GLU 68 Ca 0.52 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 59.84 2oqs h GLU 68 Cb 0.71 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.40 2oqs h GLU 68 CO -0.30 0.10 0.18 1.49 -0.00 0.00 0.00 179.01 180.48 2oqs h GLU 69 N 0.15 0.73 -0.97 1.06 4.22 -1.59 -0.53 114.58 117.65 2oqs h GLU 69 Ca 0.31 -0.11 0.05 0.00 0.08 0.00 0.00 59.36 59.69 2oqs h GLU 69 Cb 0.50 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2oqs h GLU 69 CO -0.48 0.62 0.63 0.00 -2.18 0.00 0.00 179.01 177.60 2oqs h ALA 70 N 1.48 1.41 0.14 2.92 0.00 -0.70 -0.94 119.26 123.57 2oqs h ALA 70 Ca 0.17 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 2oqs h ALA 70 Cb 0.18 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2oqs h ALA 70 CO -0.01 0.47 -1.30 0.28 0.00 0.00 0.00 179.25 178.69 2oqs h VAL 71 N 1.17 1.44 -0.68 0.00 2.07 -0.91 -2.87 116.25 116.47 2oqs h VAL 71 Ca 0.40 -3.01 -0.04 0.00 0.82 0.00 0.00 66.70 64.88 2oqs h VAL 71 Cb 0.10 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2oqs h VAL 71 CO -0.14 0.88 0.27 0.74 0.02 0.00 0.00 177.57 179.34 2oqs h THR 72 N 0.08 1.24 0.10 2.57 2.02 -0.61 0.11 112.91 118.41 2oqs h THR 72 Ca -0.16 -0.74 -0.27 0.00 0.77 0.00 0.00 66.41 66.02 2oqs h THR 72 Cb 1.99 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2oqs h THR 72 CO 0.20 0.30 -1.17 0.00 0.37 0.00 0.00 175.52 175.22 2oqs h ALA 73 N 1.31 0.15 -0.03 6.16 0.00 -1.28 -0.90 119.26 124.67 2oqs h ALA 73 Ca 0.23 -0.82 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 2oqs h ALA 73 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2oqs h ALA 73 CO -0.02 0.89 -0.58 -0.07 0.00 0.00 0.00 179.25 179.47 2oqs h LEU 74 N 0.14 0.09 0.00 0.00 -0.00 -1.33 -2.96 115.31 111.24 2oqs h LEU 74 Ca -0.13 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2oqs h LEU 74 Cb 1.87 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.50 2oqs h LEU 74 CO 0.20 0.65 -0.63 0.07 -0.00 0.00 0.00 178.44 178.72 2oqs h LYS 75 N 0.06 0.00 -0.00 1.13 2.10 -0.81 -3.33 116.57 115.72 2oqs h LYS 75 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2oqs h LYS 75 Cb 1.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2oqs h LYS 75 CO 0.08 0.00 0.00 -0.97 -2.00 0.00 0.00 179.45 176.56 2oqs h ASN 76 N 0.00 0.00 -0.87 7.07 -1.24 -0.98 -3.45 115.58 116.11 2oqs h ASN 76 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.42 2oqs h ASN 76 Cb 0.93 0.00 0.09 0.00 0.73 0.00 0.00 38.32 40.07 2oqs h ASN 76 CO 0.00 0.00 -0.41 0.35 -1.29 0.00 0.00 177.43 176.08 2oqs n THR 77 N -4.30 1.57 0.00 -3.57 -2.24 -1.25 -4.93 114.28 99.56 2oqs n THR 77 Ca -0.03 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2oqs n THR 77 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2oqs n THR 77 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2oqs n SER 78 N 1.70 0.00 -0.08 3.42 7.64 -1.26 -5.04 113.62 120.00 2oqs n SER 78 Ca 0.16 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.97 2oqs n SER 78 Cb 0.20 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2oqs n ASP 79 N -0.85 1.85 -4.51 6.43 9.92 -1.26 -4.78 116.55 123.35 2oqs n ASP 79 Ca 0.00 0.50 -0.24 0.00 -0.53 0.00 0.00 54.79 54.51 2oqs n ASP 79 Cb 0.00 -0.81 -0.11 0.00 -0.64 0.00 0.00 41.12 39.56 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2oqs s PHE 80 N -2.53 2.20 -0.00 1.24 0.40 -1.26 -1.31 117.98 116.72 2oqs s PHE 80 Ca -0.21 -0.71 -0.02 0.00 -0.60 0.00 0.00 56.93 55.40 2oqs s PHE 80 Cb 0.03 -1.39 -0.00 0.00 0.51 0.00 0.00 43.02 42.17 2oqs s PHE 80 CO 0.31 0.33 0.03 0.54 0.70 0.00 0.00 175.22 177.14 2oqs s VAL 81 N -2.91 0.04 -0.35 -0.44 0.11 -1.08 -4.80 120.40 110.97 2oqs s VAL 81 Ca 0.33 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2oqs s VAL 81 Cb 0.06 -0.17 0.11 0.00 -1.53 0.00 0.00 36.38 34.84 2oqs s VAL 81 CO 0.15 -0.20 0.10 -0.47 -3.33 0.00 0.00 175.10 171.36 2oqs s TYR 82 N -0.60 2.80 0.01 1.54 6.14 -1.26 -2.45 117.35 123.52 2oqs s TYR 82 Ca -0.07 -2.50 -0.19 0.00 0.64 0.00 0.00 57.07 54.94 2oqs s TYR 82 Cb -0.04 -2.38 -0.06 0.00 0.42 0.00 0.00 41.96 39.90 2oqs s TYR 82 CO -0.00 -0.89 0.56 -1.17 0.64 0.00 0.00 175.55 174.69 2oqs s LEU 83 N 1.01 4.45 -0.03 6.97 2.96 -0.95 -2.01 118.68 131.07 2oqs s LEU 83 Ca 0.12 1.15 0.07 0.00 -0.22 0.00 0.00 54.13 55.25 2oqs s LEU 83 Cb -0.19 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 2oqs s LEU 83 CO -0.13 0.17 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.29 2oqs s LYS 84 N -0.49 2.09 -0.03 1.98 -0.14 0.30 0.83 119.74 124.28 2oqs s LYS 84 Ca 0.29 -0.85 0.07 0.00 -1.36 0.00 0.00 55.97 54.12 2oqs s LYS 84 Cb -0.18 -1.93 -0.02 0.00 -1.68 0.00 0.00 37.83 34.02 2oqs s LYS 84 CO 0.17 0.46 -0.23 0.08 -0.76 0.00 0.00 175.35 175.07 2oqs s VAL 85 N -0.41 1.86 0.20 3.17 1.01 0.53 0.98 120.40 127.73 2oqs s VAL 85 Ca 0.05 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 2oqs s VAL 85 Cb -0.11 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 2oqs s VAL 85 CO 0.01 0.52 0.72 0.00 0.00 0.00 0.00 175.10 176.35 2oqs s ALA 86 N -0.45 3.44 -0.35 5.51 0.00 -1.25 -2.39 121.76 126.27 2oqs s ALA 86 Ca 0.06 0.19 -0.24 0.00 0.00 0.00 0.00 51.96 51.97 2oqs s ALA 86 Cb -0.10 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.20 2oqs s ALA 86 CO 0.00 0.33 0.81 0.15 0.00 0.00 0.00 175.76 177.05 2oqs s LYS 87 N -1.73 3.83 0.74 0.00 -0.14 -1.26 -4.78 119.74 116.40 2oqs s LYS 87 Ca 0.40 0.44 -0.14 0.00 -1.36 0.00 0.00 55.97 55.31 2oqs s LYS 87 Cb -0.18 -3.79 0.04 0.00 -1.68 0.00 0.00 37.83 32.23 2oqs s LYS 87 CO 0.22 -0.82 1.14 -1.25 -0.76 0.00 0.00 175.35 173.88 2oqs s PRO 88 N 3.13 2.24 0.02 -1.68 0.04 -1.26 -5.06 135.00 132.43 2oqs s PRO 88 Ca 0.33 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.88 2oqs s PRO 88 Cb -0.13 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2oqs s PRO 88 CO 0.16 -1.70 -0.05 -0.08 0.04 0.00 0.00 177.00 175.37 2oqs s THR 89 N -2.36 0.33 -0.16 1.26 -1.32 -1.26 -5.15 115.64 106.98 2oqs s THR 89 Ca 0.68 -0.65 -0.01 0.00 -1.21 0.00 0.00 61.69 60.50 2oqs s THR 89 Cb -0.23 -0.37 -0.01 0.00 -1.51 0.00 0.00 72.50 70.38 2oqs s THR 89 CO 0.47 -0.22 -0.10 -0.83 -2.21 0.00 0.00 174.62 171.73 2oqs s GLY 90 N -0.93 1.57 0.06 6.08 0.00 -1.26 -5.01 107.32 107.83 2oqs s GLY 90 Ca -0.07 -0.98 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 2oqs s GLY 90 CO -0.00 0.02 1.19 1.48 0.00 0.00 0.00 173.10 175.78 2oqs h SER 91 N 7.16 0.85 0.00 1.64 4.64 -2.07 -3.58 113.55 122.18 2oqs h SER 91 Ca -0.32 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.28 2oqs h SER 91 Cb 1.19 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2oqs h SER 91 CO 0.58 1.46 0.00 1.57 -0.87 0.00 0.00 176.83 179.57