#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 3.10 -0.09 0.03 1.03 -1.26 -1.68 118.70 119.83 2oqs s GLU 2 Ca 0.00 -0.80 -0.06 0.00 0.03 0.00 0.00 54.97 54.14 2oqs s GLU 2 Cb 0.00 -2.75 0.03 0.00 -0.80 0.00 0.00 34.13 30.61 2oqs s GLU 2 CO 0.00 0.49 0.22 0.42 -1.33 0.00 0.00 175.26 175.05 2oqs s ILE 3 N -1.80 -0.02 -0.86 1.83 1.09 -0.74 -5.02 121.20 115.68 2oqs s ILE 3 Ca 0.32 0.09 -0.17 0.00 -1.10 0.00 0.00 60.65 59.79 2oqs s ILE 3 Cb -0.10 -0.33 0.15 0.00 -1.06 0.00 0.00 42.46 41.12 2oqs s ILE 3 CO 0.25 0.04 0.97 -0.54 -0.10 0.00 0.00 174.94 175.56 2oqs s LYS 4 N 0.77 3.53 -0.13 2.79 -0.14 -1.26 -2.60 119.74 122.70 2oqs s LYS 4 Ca -0.05 -1.90 -0.21 0.00 -1.36 0.00 0.00 55.97 52.45 2oqs s LYS 4 Cb -0.07 -4.68 -0.04 0.00 -1.68 0.00 0.00 37.83 31.36 2oqs s LYS 4 CO -0.05 -1.61 0.59 -0.51 -0.76 0.00 0.00 175.35 173.02 2oqs s LEU 5 N 1.96 4.25 -0.17 3.17 1.43 -1.02 -4.98 118.68 123.32 2oqs s LEU 5 Ca 0.26 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.12 2oqs s LEU 5 Cb -0.09 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2oqs s LEU 5 CO -0.07 -0.12 0.42 -0.51 0.23 0.00 0.00 176.35 176.29 2oqs s ILE 6 N 1.09 5.21 -0.47 -0.59 2.07 -1.26 -1.04 121.20 126.20 2oqs s ILE 6 Ca 0.30 0.78 -0.28 0.00 -1.41 0.00 0.00 60.65 60.04 2oqs s ILE 6 Cb -0.16 -3.75 0.01 0.00 0.13 0.00 0.00 42.46 38.69 2oqs s ILE 6 CO 0.13 0.29 1.44 -0.75 -1.91 0.00 0.00 174.94 174.14 2oqs s LYS 7 N 0.97 3.43 0.00 3.50 2.47 -0.08 -4.97 119.74 125.05 2oqs s LYS 7 Ca 0.21 0.76 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 2oqs s LYS 7 Cb -0.15 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.14 2oqs s LYS 7 CO 0.08 -1.76 0.00 0.41 0.16 0.00 0.00 175.35 174.24 2oqs n GLY 8 N 5.18 2.30 0.05 5.54 0.00 -1.26 -4.84 105.19 112.16 2oqs n GLY 8 Ca 0.15 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 0.03 0.19 1.61 0.11 -2.01 -3.31 132.00 128.63 2oqs h PRO 9 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2oqs h PRO 9 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2oqs h PRO 9 CO 0.00 0.03 -0.09 0.87 -0.21 0.00 0.00 178.00 178.61 2oqs h LYS 10 N 0.02 -0.24 0.00 1.05 1.57 -1.96 -3.50 116.57 113.51 2oqs h LYS 10 Ca 0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2oqs h LYS 10 Cb 0.01 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2oqs h LYS 10 CO -0.00 -0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.13 2oqs n GLY 11 N 0.04 -0.94 0.28 3.86 0.00 -1.25 -4.73 105.19 102.45 2oqs n GLY 11 Ca -0.03 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.70 -2.73 0.99 4.32 -1.26 -0.86 117.00 116.77 2oqs n LEU 12 Ca 0.00 1.41 -0.12 0.00 -0.02 0.00 0.00 56.01 57.29 2oqs n LEU 12 Cb 0.00 -0.27 0.06 0.00 -1.62 0.00 0.00 43.42 41.59 2oqs n LEU 12 CO 0.00 -1.08 0.07 0.61 -1.22 0.00 0.00 177.39 175.77 2oqs n GLY 13 N -1.17 -0.17 1.27 -0.72 0.00 -1.26 0.39 105.19 103.53 2oqs n GLY 13 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.17 -1.13 -4.46 1.61 1.16 -1.26 0.36 117.46 110.56 2oqs n PHE 14 Ca -0.19 -0.52 -0.22 0.00 -1.87 0.00 0.00 57.45 54.65 2oqs n PHE 14 Cb 0.62 0.26 -0.10 0.00 -1.61 0.00 0.00 39.48 38.64 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 -1.76 2.42 0.32 5.98 1.04 0.15 -4.88 113.70 116.98 2oqs s SER 15 Ca 0.07 -1.44 -0.17 0.00 0.48 0.00 0.00 55.95 54.89 2oqs s SER 15 Cb -0.01 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.19 2oqs s SER 15 CO 0.03 -0.68 0.71 0.27 0.98 0.00 0.00 173.24 174.55 2oqs s ILE 16 N -3.30 0.00 0.19 -1.02 -0.00 -1.26 -2.29 121.20 113.53 2oqs s ILE 16 Ca 0.34 -1.08 -0.01 0.00 -0.00 0.00 0.00 60.65 59.89 2oqs s ILE 16 Cb 0.07 -2.42 -0.04 0.00 -0.00 0.00 0.00 42.46 40.07 2oqs s ILE 16 CO 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 174.94 175.21 2oqs s ALA 17 N -3.22 1.12 0.00 2.27 0.00 0.11 -4.73 121.76 117.31 2oqs s ALA 17 Ca 0.15 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2oqs s ALA 17 Cb -0.05 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.39 2oqs s ALA 17 CO 0.10 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2oqs n GLY 18 N -0.25 2.33 0.00 0.00 0.00 -1.18 -1.89 105.19 104.20 2oqs n GLY 18 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 2.54 3.77 -0.02 0.00 -0.60 -0.40 105.19 110.48 2oqs n GLY 19 Ca 0.00 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2oqs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqs s VAL 20 N -2.91 2.42 0.00 1.61 0.11 -1.26 0.51 120.40 120.88 2oqs s VAL 20 Ca 0.00 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2oqs s VAL 20 Cb 0.00 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2oqs s VAL 20 CO 0.00 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 2oqs n GLY 21 N 0.64 2.92 0.22 6.54 0.00 -1.26 -4.60 105.19 109.64 2oqs n GLY 21 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 0.28 1.16 -4.68 1.61 6.94 -0.98 -5.10 115.26 114.50 2oqs n ASN 22 Ca 0.00 -2.33 -0.42 0.00 -0.02 0.00 0.00 54.58 51.82 2oqs n ASN 22 Cb 0.00 -0.25 0.01 0.00 -2.36 0.00 0.00 39.78 37.18 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2oqs n GLN 23 N -0.63 1.84 0.04 -3.83 6.02 0.18 -3.11 117.38 117.90 2oqs n GLN 23 Ca 0.06 0.65 0.01 0.00 -0.01 0.00 0.00 57.00 57.71 2oqs n GLN 23 Cb 0.60 -2.28 -0.07 0.00 1.02 0.00 0.00 30.24 29.51 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 2.09 0.00 -3.35 1.08 -0.00 -1.81 -3.46 115.15 109.70 2oqs h HIS 24 Ca -0.46 0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 59.60 2oqs h HIS 24 Cb 1.30 0.00 -0.35 0.00 -0.00 0.00 0.00 27.41 28.36 2oqs h HIS 24 CO 0.48 0.55 -0.70 0.42 -0.00 0.00 0.00 177.93 178.68 2oqs s ILE 25 N -2.95 -0.10 -0.04 6.26 -1.09 -1.26 -5.05 121.20 116.98 2oqs s ILE 25 Ca -0.02 0.29 -0.36 0.00 -2.23 0.00 0.00 60.65 58.33 2oqs s ILE 25 Cb 0.09 -0.16 -0.14 0.00 -1.58 0.00 0.00 42.46 40.67 2oqs s ILE 25 CO 0.81 0.12 1.67 -2.65 -1.23 0.00 0.00 174.94 173.66 2oqs n PRO 26 N 4.65 1.73 0.00 2.79 -0.02 -1.26 -1.89 135.00 141.00 2oqs n PRO 26 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2oqs n PRO 26 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.75 2.93 3.53 -1.23 0.00 -1.26 -4.99 105.19 107.92 2oqs n GLY 27 Ca 0.21 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.08 -0.79 -4.94 116.67 117.58 2oqs s ASP 28 Ca 0.00 -0.33 0.09 0.00 -0.52 0.00 0.00 52.55 51.79 2oqs s ASP 28 Cb 0.00 -2.20 0.37 0.00 -1.46 0.00 0.00 42.92 39.63 2oqs s ASP 28 CO 0.00 -0.38 1.19 0.59 0.52 0.00 0.00 175.17 177.09 2oqs n ASN 29 N 5.41 2.72 -3.49 -0.34 4.13 -1.26 -3.98 115.26 118.44 2oqs n ASN 29 Ca -0.09 -2.25 -0.27 0.00 1.68 0.00 0.00 54.58 53.65 2oqs n ASN 29 Cb 0.49 -0.43 0.23 0.00 -1.54 0.00 0.00 39.78 38.52 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2oqs n SER 30 N 0.44 -1.81 -4.57 6.41 2.88 -1.26 -1.56 113.62 114.14 2oqs n SER 30 Ca 0.13 -1.14 -0.40 0.00 -1.33 0.00 0.00 58.87 56.13 2oqs n SER 30 Cb 0.53 -0.92 -0.10 0.00 -0.75 0.00 0.00 64.21 62.97 2oqs n SER 30 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2oqs s ILE 31 N -2.89 5.20 0.03 2.46 1.09 -0.79 -4.10 121.20 122.20 2oqs s ILE 31 Ca 0.65 0.26 0.07 0.00 -1.10 0.00 0.00 60.65 60.53 2oqs s ILE 31 Cb -0.06 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 2oqs s ILE 31 CO 0.50 0.06 -0.19 -0.31 -0.10 0.00 0.00 174.94 174.90 2oqs s TYR 32 N 1.99 2.53 0.23 3.97 1.51 -0.79 0.12 117.35 126.90 2oqs s TYR 32 Ca 0.12 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 2oqs s TYR 32 Cb -0.16 -1.47 -0.09 0.00 -0.11 0.00 0.00 41.96 40.13 2oqs s TYR 32 CO 0.11 0.22 1.13 0.08 -1.11 0.00 0.00 175.55 175.98 2oqs s VAL 33 N -0.88 3.60 -0.14 0.71 1.01 -1.20 0.05 120.40 123.55 2oqs s VAL 33 Ca 0.14 1.47 0.09 0.00 0.00 0.00 0.00 61.98 63.67 2oqs s VAL 33 Cb -0.10 -3.93 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 2oqs s VAL 33 CO 0.04 0.29 -0.01 0.35 0.00 0.00 0.00 175.10 175.78 2oqs n THR 34 N 1.86 0.91 -3.65 3.92 -2.24 -0.97 -3.24 114.28 110.87 2oqs n THR 34 Ca 0.01 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.27 2oqs n THR 34 Cb 0.45 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.32 0.60 -0.26 -0.78 -0.14 -1.26 -4.96 119.74 110.63 2oqs s LYS 35 Ca -0.11 1.41 -0.14 0.00 -1.36 0.00 0.00 55.97 55.76 2oqs s LYS 35 Cb 0.04 0.72 -0.04 0.00 -1.68 0.00 0.00 37.83 36.88 2oqs s LYS 35 CO 0.49 -0.19 0.35 0.42 -0.76 0.00 0.00 175.35 175.66 2oqs s ILE 36 N 2.64 5.20 0.36 2.17 1.01 -1.26 0.33 121.20 131.65 2oqs s ILE 36 Ca -0.07 0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.87 2oqs s ILE 36 Cb -0.11 -3.68 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 2oqs s ILE 36 CO -0.19 0.19 0.97 -0.63 0.00 0.00 0.00 174.94 175.28 2oqs s ILE 37 N 1.85 4.12 0.51 2.92 1.09 0.16 -4.95 121.20 126.91 2oqs s ILE 37 Ca 0.15 1.64 -0.23 0.00 -1.10 0.00 0.00 60.65 61.11 2oqs s ILE 37 Cb -0.15 -3.86 -0.06 0.00 -1.06 0.00 0.00 42.46 37.33 2oqs s ILE 37 CO 0.09 0.03 1.38 1.21 -0.10 0.00 0.00 174.94 177.55 2oqs n GLU 38 N 0.19 1.87 -1.81 2.79 2.13 -1.26 -2.35 120.64 122.20 2oqs n GLU 38 Ca 0.04 0.68 -0.19 0.00 0.66 0.00 0.00 57.16 58.35 2oqs n GLU 38 Cb 0.51 -2.59 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oqs n GLY 39 N 0.71 1.09 3.97 8.31 0.00 -1.26 -4.99 105.19 113.02 2oqs n GLY 39 Ca 0.09 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 1.69 0.17 -0.02 0.00 -0.99 -4.84 107.32 100.74 2oqs s GLY 40 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 44.72 43.25 2oqs s GLY 40 CO 0.00 -1.06 1.60 0.00 0.00 0.00 0.00 173.10 173.64 2oqs h ALA 41 N 0.37 -0.10 0.06 3.20 0.00 0.19 0.30 119.26 123.28 2oqs h ALA 41 Ca -0.44 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2oqs h ALA 41 Cb 1.27 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2oqs h ALA 41 CO 0.54 -0.69 -0.03 0.00 0.00 0.00 0.00 179.25 179.07 2oqs h ALA 42 N 0.89 -0.08 -0.60 0.00 0.00 -1.84 -1.28 119.26 116.36 2oqs h ALA 42 Ca 0.20 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2oqs h ALA 42 Cb 0.54 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.59 -0.34 0.03 1.25 0.00 0.00 0.00 179.25 179.59 2oqs h HIS 43 N -0.49 0.01 -0.27 0.00 6.17 -1.70 0.12 115.15 118.98 2oqs h HIS 43 Ca -0.01 0.04 -0.17 0.00 0.71 0.00 0.00 60.37 60.95 2oqs h HIS 43 Cb 0.43 0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.44 2oqs h HIS 43 CO 0.06 -0.13 -0.50 0.87 0.71 0.00 0.00 177.93 178.93 2oqs h LYS 44 N 0.14 0.76 0.17 5.26 1.57 -0.45 -3.27 116.57 120.75 2oqs h LYS 44 Ca 0.31 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2oqs h LYS 44 Cb 0.50 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2oqs h LYS 44 CO -0.49 1.08 -0.08 0.22 -0.57 0.00 0.00 179.45 179.61 2oqs h ASP 45 N 0.59 -0.19 0.00 0.86 3.58 -0.17 -3.47 116.42 117.62 2oqs h ASP 45 Ca 0.02 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2oqs h ASP 45 Cb 1.08 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2oqs h ASP 45 CO 0.11 -0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2oqs n GLY 46 N -0.92 3.28 0.19 -0.78 0.00 0.31 -4.88 105.19 102.38 2oqs n GLY 46 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 2.08 0.46 -5.75 1.61 6.56 -1.92 -3.43 116.57 116.18 2oqs h LYS 47 Ca 0.00 -0.36 -0.58 0.00 -1.06 0.00 0.00 60.65 58.65 2oqs h LYS 47 Cb 0.00 0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 31.65 2oqs h LYS 47 CO 0.00 0.99 -0.03 -1.17 -2.06 0.00 0.00 179.45 177.19 2oqs s LEU 48 N -8.05 4.24 0.02 2.94 0.20 -1.26 -5.07 118.68 111.69 2oqs s LEU 48 Ca -0.06 0.87 0.03 0.00 0.69 0.00 0.00 54.13 55.66 2oqs s LEU 48 Cb 0.10 -2.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.04 2oqs s LEU 48 CO 0.85 -0.11 -0.10 0.00 -0.29 0.00 0.00 176.35 176.70 2oqs s GLN 49 N 1.08 0.72 -0.20 1.98 0.00 -1.26 -4.68 119.66 117.31 2oqs s GLN 49 Ca 0.28 -0.52 -0.39 0.00 -0.00 0.00 0.00 55.36 54.73 2oqs s GLN 49 Cb -0.16 -0.67 -0.16 0.00 0.00 0.00 0.00 33.01 32.03 2oqs s GLN 49 CO 0.12 0.17 1.68 0.44 0.00 0.00 0.00 175.29 177.70 2oqs n ILE 50 N 2.32 0.27 0.00 3.63 -5.35 -1.26 -2.06 119.36 116.91 2oqs n ILE 50 Ca -0.16 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2oqs n ILE 50 Cb 0.56 -1.20 0.00 0.00 -1.74 0.00 0.00 39.64 37.26 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 3.91 2.01 3.74 3.28 0.00 -1.20 -5.01 105.19 111.92 2oqs n GLY 51 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.84 4.06 0.09 1.61 1.47 -0.87 -4.83 116.67 116.35 2oqs s ASP 52 Ca 0.00 1.80 0.06 0.00 1.18 0.00 0.00 52.55 55.59 2oqs s ASP 52 Cb 0.00 -2.46 -0.04 0.00 -0.34 0.00 0.00 42.92 40.08 2oqs s ASP 52 CO 0.00 -2.31 -0.08 -1.59 0.68 0.00 0.00 175.17 171.86 2oqs s LYS 53 N -4.87 2.24 -0.48 2.11 0.00 -1.26 -3.27 119.74 114.21 2oqs s LYS 53 Ca 0.62 -0.96 -0.14 0.00 0.00 0.00 0.00 55.97 55.50 2oqs s LYS 53 Cb -0.18 -2.36 0.09 0.00 0.00 0.00 0.00 37.83 35.38 2oqs s LYS 53 CO 0.57 0.52 0.39 -0.51 0.00 0.00 0.00 175.35 176.32 2oqs s LEU 54 N -2.11 5.69 -0.01 2.77 1.43 0.32 -3.32 118.68 123.44 2oqs s LEU 54 Ca 0.21 -1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 51.55 2oqs s LEU 54 Cb -0.11 -2.14 -0.19 0.00 0.03 0.00 0.00 46.19 43.78 2oqs s LEU 54 CO 0.13 -0.69 1.22 0.25 0.23 0.00 0.00 176.35 177.49 2oqs h LEU 55 N 8.70 0.18 -7.31 1.79 5.85 -0.88 -3.34 115.31 120.31 2oqs h LEU 55 Ca -0.27 -0.57 -0.09 0.00 0.84 0.00 0.00 57.88 57.79 2oqs h LEU 55 Cb 1.10 -0.05 -0.18 0.00 0.37 0.00 0.00 40.66 41.89 2oqs h LEU 55 CO 0.90 0.72 -0.08 0.00 -0.34 0.00 0.00 178.44 179.64 2oqs s ALA 56 N -3.92 -1.16 -0.13 1.25 0.00 -1.06 -0.42 121.76 116.32 2oqs s ALA 56 Ca -0.15 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 2oqs s ALA 56 Cb 0.02 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.35 2oqs s ALA 56 CO 0.72 -0.36 0.06 0.08 0.00 0.00 0.00 175.76 176.26 2oqs s VAL 57 N -1.70 0.07 -0.98 0.00 1.01 0.37 0.35 120.40 119.52 2oqs s VAL 57 Ca -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2oqs s VAL 57 Cb -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2oqs s VAL 57 CO 0.04 -0.10 0.84 0.59 0.00 0.00 0.00 175.10 176.46 2oqs n ASN 58 N 5.23 -3.90 0.00 3.32 3.02 -0.90 -2.61 115.26 119.42 2oqs n ASN 58 Ca -0.06 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2oqs n ASN 58 Cb 0.49 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 2oqs n ASN 58 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2oqs n ASN 59 N -2.22 0.00 -4.88 6.41 3.02 -1.26 -5.01 115.26 111.31 2oqs n ASN 59 Ca -0.09 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.13 2oqs n ASN 59 Cb 0.58 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.70 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2oqs s VAL 60 N -2.11 5.13 -0.01 2.41 -7.23 -1.07 -5.07 120.40 112.45 2oqs s VAL 60 Ca 0.00 0.26 -0.26 0.00 -1.81 0.00 0.00 61.98 60.16 2oqs s VAL 60 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2oqs s VAL 60 CO 0.00 0.17 0.83 0.00 -0.31 0.00 0.00 175.10 175.79 2oqs n LEU 62 N 3.59 6.80 0.00 0.00 7.94 0.43 -4.81 117.00 130.96 2oqs n LEU 62 Ca 0.01 -3.92 0.00 0.00 -1.11 0.00 0.00 56.01 51.00 2oqs n LEU 62 Cb 0.51 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.60 2oqs n LEU 62 CO 0.49 1.26 0.00 -0.62 -1.11 0.00 0.00 177.39 177.41 2oqs n GLU 63 N -1.05 0.00 -0.21 1.96 1.02 -1.25 -1.88 120.64 119.23 2oqs n GLU 63 Ca 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.67 2oqs n GLU 63 Cb 1.23 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.63 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 0.00 0.53 -4.18 3.49 0.28 -1.26 -4.10 120.64 115.40 2oqs n GLU 64 Ca 0.00 -0.54 -0.17 0.00 -0.16 0.00 0.00 57.16 56.29 2oqs n GLU 64 Cb 0.00 -1.91 -0.12 0.00 1.43 0.00 0.00 31.44 30.85 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 3.71 1.09 0.00 3.84 -7.23 -1.26 -5.06 120.40 115.49 2oqs s VAL 65 Ca 0.12 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2oqs s VAL 65 Cb 0.04 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.82 2oqs s VAL 65 CO -0.01 -0.31 0.00 0.35 -0.31 0.00 0.00 175.10 174.82 2oqs n THR 66 N 1.06 0.00 0.08 5.32 -2.24 -1.26 -2.08 114.28 115.16 2oqs n THR 66 Ca -0.20 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2oqs n THR 66 Cb 0.55 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 2oqs n THR 66 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2oqs h HIS 67 N -1.67 0.42 -0.55 4.78 2.76 -1.04 -2.88 115.15 116.97 2oqs h HIS 67 Ca 0.00 -0.25 0.11 0.00 -2.20 0.00 0.00 60.37 58.03 2oqs h HIS 67 Cb 0.00 -0.04 -0.09 0.00 1.55 0.00 0.00 27.41 28.83 2oqs h HIS 67 CO 0.00 1.08 0.02 0.93 -1.30 0.00 0.00 177.93 178.66 2oqs h GLU 68 N 0.14 0.14 -0.32 5.26 5.08 -1.92 0.47 114.58 123.43 2oqs h GLU 68 Ca -0.07 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2oqs h GLU 68 Cb 1.60 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2oqs h GLU 68 CO 0.15 0.09 -0.29 0.93 -1.00 0.00 0.00 179.01 178.90 2oqs h GLU 69 N 0.14 0.67 -0.25 2.33 3.07 -1.91 0.36 114.58 118.99 2oqs h GLU 69 Ca 0.28 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2oqs h GLU 69 Cb 0.44 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2oqs h GLU 69 CO -0.45 0.88 0.14 0.00 -1.40 0.00 0.00 179.01 178.18 2oqs h ALA 70 N 1.11 0.32 -0.05 3.43 0.00 -0.73 -0.18 119.26 123.15 2oqs h ALA 70 Ca 0.07 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2oqs h ALA 70 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2oqs h ALA 70 CO 0.06 -0.16 -0.87 -0.24 0.00 0.00 0.00 179.25 178.04 2oqs h VAL 71 N 0.30 1.36 -0.48 0.00 3.04 -0.09 -3.02 116.25 117.35 2oqs h VAL 71 Ca 0.09 -2.25 -0.12 0.00 -1.01 0.00 0.00 66.70 63.41 2oqs h VAL 71 Cb 0.04 2.25 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 2oqs h VAL 71 CO -0.02 0.68 -0.19 0.74 -1.01 0.00 0.00 177.57 177.78 2oqs h THR 72 N 0.32 1.27 -0.43 3.17 2.02 -0.83 -0.24 112.91 118.18 2oqs h THR 72 Ca -0.07 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.71 2oqs h THR 72 Cb 1.49 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2oqs h THR 72 CO 0.16 0.46 0.01 0.00 0.37 0.00 0.00 175.52 176.52 2oqs h ALA 73 N 0.95 0.58 -0.14 6.16 0.00 -1.08 0.30 119.26 126.03 2oqs h ALA 73 Ca 0.12 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2oqs h ALA 73 Cb 0.75 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2oqs h ALA 73 CO 0.06 0.36 -0.46 -0.07 0.00 0.00 0.00 179.25 179.14 2oqs h LEU 74 N 0.60 0.37 -0.55 0.00 -0.00 -1.50 -2.92 115.31 111.31 2oqs h LEU 74 Ca 0.12 -0.17 -0.10 0.00 -0.00 0.00 0.00 57.88 57.74 2oqs h LEU 74 Cb 0.47 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2oqs h LEU 74 CO 0.02 0.78 -0.46 0.50 -0.00 0.00 0.00 178.44 179.28 2oqs h LYS 75 N 0.28 0.00 -3.37 1.13 3.64 -0.71 -3.37 116.57 114.17 2oqs h LYS 75 Ca 0.02 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.75 2oqs h LYS 75 Cb 0.92 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2oqs h LYS 75 CO 0.08 0.46 3.48 -1.71 -2.27 0.00 0.00 179.45 179.49 2oqs n ASN 76 N -3.41 6.82 -4.11 4.20 5.15 0.10 -4.86 115.26 119.16 2oqs n ASN 76 Ca 0.01 -2.62 -0.33 0.00 -0.60 0.00 0.00 54.58 51.04 2oqs n ASN 76 Cb 0.61 -1.52 -0.16 0.00 -0.53 0.00 0.00 39.78 38.19 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 2.69 2.14 0.00 -0.44 -4.23 -1.26 -4.99 115.64 109.54 2oqs s THR 77 Ca 0.60 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2oqs s THR 77 Cb 0.16 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.97 2oqs s THR 77 CO -0.06 0.34 0.00 -1.20 -0.54 0.00 0.00 174.62 173.16 2oqs n SER 78 N 4.56 0.00 -0.11 3.99 7.64 -1.26 -4.98 113.62 123.47 2oqs n SER 78 Ca -0.18 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.51 2oqs n SER 78 Cb 0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.74 1.90 -4.36 6.43 9.92 -1.26 -4.69 116.55 123.75 2oqs n ASP 79 Ca 0.00 0.42 -0.18 0.00 -0.53 0.00 0.00 54.79 54.50 2oqs n ASP 79 Cb 0.00 -0.85 -0.10 0.00 -0.64 0.00 0.00 41.12 39.53 2oqs n ASP 79 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2oqs s PHE 80 N -2.51 1.67 -0.06 1.24 5.36 -1.26 -0.91 117.98 121.51 2oqs s PHE 80 Ca -0.29 -0.88 -0.02 0.00 -0.96 0.00 0.00 56.93 54.77 2oqs s PHE 80 Cb 0.08 -0.97 0.04 0.00 -0.34 0.00 0.00 43.02 41.82 2oqs s PHE 80 CO 0.45 0.02 0.11 0.54 -1.46 0.00 0.00 175.22 174.88 2oqs s VAL 81 N -3.33 -0.13 -0.63 3.12 0.11 -0.20 -4.86 120.40 114.49 2oqs s VAL 81 Ca 0.29 0.29 -0.18 0.00 -2.93 0.00 0.00 61.98 59.44 2oqs s VAL 81 Cb 0.06 -0.21 0.11 0.00 -1.53 0.00 0.00 36.38 34.81 2oqs s VAL 81 CO 0.10 0.12 0.73 -0.47 -3.33 0.00 0.00 175.10 172.24 2oqs s TYR 82 N 1.67 3.06 -0.09 1.54 6.14 -1.26 -2.43 117.35 125.98 2oqs s TYR 82 Ca -0.03 -1.07 -0.24 0.00 0.64 0.00 0.00 57.07 56.37 2oqs s TYR 82 Cb -0.12 -4.01 -0.03 0.00 0.42 0.00 0.00 41.96 38.22 2oqs s TYR 82 CO -0.05 -1.28 0.72 -1.17 0.64 0.00 0.00 175.55 174.42 2oqs s LEU 83 N 2.48 4.28 -0.03 6.97 2.96 -1.07 -2.11 118.68 132.16 2oqs s LEU 83 Ca 0.13 1.17 0.06 0.00 -0.22 0.00 0.00 54.13 55.26 2oqs s LEU 83 Cb -0.22 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 2oqs s LEU 83 CO 0.04 -0.18 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.15 2oqs s LYS 84 N 1.14 2.31 0.00 1.98 -0.14 0.16 -1.80 119.74 123.39 2oqs s LYS 84 Ca 0.37 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 54.19 2oqs s LYS 84 Cb -0.17 -2.22 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 2oqs s LYS 84 CO 0.17 0.59 -0.08 0.08 -0.76 0.00 0.00 175.35 175.35 2oqs s VAL 85 N -0.69 0.61 0.05 3.17 1.01 -0.68 -0.22 120.40 123.65 2oqs s VAL 85 Ca 0.11 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 2oqs s VAL 85 Cb -0.10 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 2oqs s VAL 85 CO 0.00 0.11 0.61 0.00 0.00 0.00 0.00 175.10 175.82 2oqs s ALA 86 N -0.30 3.53 -0.36 5.51 0.00 -1.21 -0.55 121.76 128.37 2oqs s ALA 86 Ca 0.02 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 2oqs s ALA 86 Cb -0.04 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 2oqs s ALA 86 CO -0.00 0.29 0.50 0.15 0.00 0.00 0.00 175.76 176.70 2oqs s LYS 87 N -0.75 3.55 0.36 0.00 1.02 -1.26 -4.59 119.74 118.08 2oqs s LYS 87 Ca 0.31 -0.25 -0.26 0.00 0.02 0.00 0.00 55.97 55.78 2oqs s LYS 87 Cb -0.19 -3.83 -0.09 0.00 -0.52 0.00 0.00 37.83 33.20 2oqs s LYS 87 CO 0.19 -0.67 1.16 -1.25 -0.92 0.00 0.00 175.35 173.86 2oqs s PRO 88 N 2.36 4.23 0.24 -1.68 0.04 -1.26 -4.94 135.00 133.99 2oqs s PRO 88 Ca 0.18 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2oqs s PRO 88 Cb -0.16 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2oqs s PRO 88 CO 0.14 -0.17 0.00 2.41 0.04 0.00 0.00 177.00 179.41 2oqs n THR 89 N 0.40 0.00 0.00 1.26 -1.04 -1.26 -5.15 114.28 108.49 2oqs n THR 89 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2oqs n THR 89 Cb 0.46 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2oqs n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oqs n GLY 90 N 1.36 1.95 0.27 3.41 0.00 -1.26 -5.03 105.19 105.89 2oqs n GLY 90 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2oqs n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2oqs h SER 91 N 0.00 0.53 0.00 1.61 4.64 -2.02 -3.57 113.55 114.73 2oqs h SER 91 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2oqs h SER 91 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2oqs h SER 91 CO 0.00 0.60 0.00 0.00 -0.87 0.00 0.00 176.83 176.56