#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 4.20 -0.32 0.03 -1.05 -1.26 -1.24 118.70 119.06 2oqs s GLU 2 Ca 0.00 0.78 -0.01 0.00 -0.15 0.00 0.00 54.97 55.59 2oqs s GLU 2 Cb 0.00 -2.97 0.13 0.00 -0.44 0.00 0.00 34.13 30.85 2oqs s GLU 2 CO 0.00 0.46 0.22 0.42 0.95 0.00 0.00 175.26 177.31 2oqs s ILE 3 N -1.43 -0.10 0.09 1.83 1.01 0.10 -4.98 121.20 117.72 2oqs s ILE 3 Ca 0.39 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 2oqs s ILE 3 Cb -0.17 -0.98 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 2oqs s ILE 3 CO 0.21 -0.74 0.37 -0.54 0.00 0.00 0.00 174.94 174.23 2oqs s LYS 4 N 1.75 3.68 0.20 2.79 1.02 -1.26 -2.23 119.74 125.68 2oqs s LYS 4 Ca 0.13 0.04 -0.08 0.00 0.02 0.00 0.00 55.97 56.07 2oqs s LYS 4 Cb -0.18 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2oqs s LYS 4 CO -0.20 0.55 0.31 -0.51 -0.92 0.00 0.00 175.35 174.57 2oqs s LEU 5 N -2.13 0.81 -0.25 3.17 1.43 -0.77 -5.01 118.68 115.93 2oqs s LEU 5 Ca 0.35 -1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.30 2oqs s LEU 5 Cb -0.13 1.18 -0.04 0.00 0.03 0.00 0.00 46.19 47.23 2oqs s LEU 5 CO 0.20 -0.96 0.34 -0.51 0.23 0.00 0.00 176.35 175.65 2oqs s ILE 6 N -4.03 5.21 -0.49 -0.59 2.07 -1.26 -2.27 121.20 119.85 2oqs s ILE 6 Ca 0.24 0.52 -0.22 0.00 -1.41 0.00 0.00 60.65 59.78 2oqs s ILE 6 Cb 0.03 -3.67 0.04 0.00 0.13 0.00 0.00 42.46 38.99 2oqs s ILE 6 CO 0.05 0.21 0.78 -0.75 -1.91 0.00 0.00 174.94 173.32 2oqs s LYS 7 N 1.75 3.30 0.00 3.50 2.36 -0.17 -4.98 119.74 125.49 2oqs s LYS 7 Ca 0.14 -0.37 0.00 0.00 -2.55 0.00 0.00 55.97 53.19 2oqs s LYS 7 Cb -0.15 -4.01 0.00 0.00 -1.05 0.00 0.00 37.83 32.62 2oqs s LYS 7 CO 0.09 -1.24 0.00 0.41 1.55 0.00 0.00 175.35 176.16 2oqs n GLY 8 N 5.08 1.27 2.22 5.54 0.00 -1.26 -4.63 105.19 113.41 2oqs n GLY 8 Ca -0.00 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.61 2.48 0.00 1.61 -0.02 -1.26 -4.20 135.00 133.00 2oqs n PRO 9 Ca 0.00 -1.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.07 2oqs n PRO 9 Cb 0.00 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2oqs n PRO 9 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2oqs n LYS 10 N 3.12 0.00 0.00 -0.52 5.02 -1.26 -5.19 118.16 119.33 2oqs n LYS 10 Ca 0.53 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2oqs n LYS 10 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oqs n GLY 11 N 0.63 3.87 0.36 0.72 0.00 -1.26 -4.94 105.19 104.57 2oqs n GLY 11 Ca 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.27 -1.81 0.99 4.07 -1.96 -3.30 115.31 112.04 2oqs h LEU 12 Ca 0.00 0.25 -0.09 0.00 0.08 0.00 0.00 57.88 58.12 2oqs h LEU 12 Cb 0.00 0.64 0.04 0.00 1.08 0.00 0.00 40.66 42.42 2oqs h LEU 12 CO 0.00 -0.30 -0.20 0.61 -1.08 0.00 0.00 178.44 177.46 2oqs n GLY 13 N -1.44 0.26 1.77 0.83 0.00 -1.26 0.89 105.19 106.24 2oqs n GLY 13 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.98 -1.53 -4.50 1.61 1.16 -1.26 0.38 117.46 111.34 2oqs n PHE 14 Ca -0.07 -0.83 -0.25 0.00 -1.87 0.00 0.00 57.45 54.44 2oqs n PHE 14 Cb 0.54 0.41 -0.09 0.00 -1.61 0.00 0.00 39.48 38.74 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 -2.00 2.68 0.30 5.98 1.04 0.18 -4.91 113.70 116.98 2oqs s SER 15 Ca 0.08 -1.58 -0.17 0.00 0.48 0.00 0.00 55.95 54.76 2oqs s SER 15 Cb -0.02 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2oqs s SER 15 CO 0.05 -0.83 0.66 0.27 0.98 0.00 0.00 173.24 174.37 2oqs s ILE 16 N -3.24 0.00 0.15 -1.02 -0.00 -1.26 -2.81 121.20 113.02 2oqs s ILE 16 Ca 0.27 -1.13 -0.00 0.00 -0.00 0.00 0.00 60.65 59.78 2oqs s ILE 16 Cb 0.04 -2.28 -0.04 0.00 -0.00 0.00 0.00 42.46 40.18 2oqs s ILE 16 CO 0.14 0.00 0.05 0.00 -0.00 0.00 0.00 174.94 175.13 2oqs s ALA 17 N -3.53 1.05 0.00 2.27 0.00 0.90 -4.72 121.76 117.73 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 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2oqs s ALA 17 CO 0.09 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2oqs n GLY 18 N -0.16 3.01 0.00 0.00 0.00 -1.13 -2.02 105.19 104.89 2oqs n GLY 18 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.44 2.34 3.75 -0.02 0.00 -0.93 -0.17 105.19 109.72 2oqs n GLY 19 Ca 0.00 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.96 2.74 0.00 1.61 0.11 -1.26 0.54 120.40 121.19 2oqs s VAL 20 Ca 0.00 0.66 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 2oqs s VAL 20 Cb 0.00 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 2oqs s VAL 20 CO 0.00 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2oqs n GLY 21 N 1.74 3.12 0.20 6.54 0.00 -1.26 -4.66 105.19 110.87 2oqs n GLY 21 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 0.06 0.95 -4.62 1.61 0.23 -0.96 -5.11 115.26 107.42 2oqs n ASN 22 Ca 0.00 -2.08 -0.40 0.00 -0.53 0.00 0.00 54.58 51.57 2oqs n ASN 22 Cb 0.00 -0.19 0.02 0.00 -2.08 0.00 0.00 39.78 37.54 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 -0.46 1.31 0.08 -3.83 6.02 0.19 -2.82 117.38 117.86 2oqs n GLN 23 Ca 0.04 0.47 0.05 0.00 -0.01 0.00 0.00 57.00 57.55 2oqs n GLN 23 Cb 0.57 -2.11 -0.03 0.00 1.02 0.00 0.00 30.24 29.68 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 1.34 0.00 -2.78 1.08 -0.00 -1.83 -3.45 115.15 109.51 2oqs h HIS 24 Ca -0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.77 2oqs h HIS 24 Cb 1.34 0.00 -0.27 0.00 -0.00 0.00 0.00 27.41 28.48 2oqs h HIS 24 CO 0.42 0.36 -0.35 0.42 -0.00 0.00 0.00 177.93 178.77 2oqs s ILE 25 N -3.08 -0.03 0.14 6.26 1.01 -1.26 -5.08 121.20 119.16 2oqs s ILE 25 Ca -0.01 0.10 -0.34 0.00 0.00 0.00 0.00 60.65 60.41 2oqs s ILE 25 Cb 0.09 -0.53 -0.13 0.00 0.01 0.00 0.00 42.46 41.89 2oqs s ILE 25 CO 0.79 0.04 1.62 -0.81 0.00 0.00 0.00 174.94 176.58 2oqs n PRO 26 N 4.15 2.21 0.00 2.79 -0.04 -1.26 -1.43 135.00 141.42 2oqs n PRO 26 Ca -0.23 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 2oqs n PRO 26 Cb 0.55 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.56 1.63 2.84 0.55 0.00 -1.26 -5.01 105.19 107.50 2oqs n GLY 27 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2oqs n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oqs s ASP 28 N -2.53 3.08 -0.05 1.61 1.01 -0.52 -4.99 116.67 114.27 2oqs s ASP 28 Ca 0.00 -0.83 0.12 0.00 0.71 0.00 0.00 52.55 52.55 2oqs s ASP 28 Cb 0.00 -0.85 0.44 0.00 1.01 0.00 0.00 42.92 43.52 2oqs s ASP 28 CO 0.00 -0.24 1.32 0.59 0.21 0.00 0.00 175.17 177.05 2oqs n ASN 29 N 4.89 2.97 -3.50 0.27 3.02 -1.26 -4.04 115.26 117.61 2oqs n ASN 29 Ca -0.11 -2.19 -0.28 0.00 -0.03 0.00 0.00 54.58 51.98 2oqs n ASN 29 Cb 0.47 -0.41 0.23 0.00 -0.61 0.00 0.00 39.78 39.45 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2oqs n SER 30 N 0.71 -1.83 -4.52 6.41 7.64 -1.26 -2.19 113.62 118.59 2oqs n SER 30 Ca 0.16 -1.15 -0.41 0.00 1.01 0.00 0.00 58.87 58.48 2oqs n SER 30 Cb 0.54 -0.93 -0.10 0.00 -1.01 0.00 0.00 64.21 62.70 2oqs n SER 30 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oqs s ILE 31 N -2.92 5.27 0.01 0.44 -1.09 -0.69 -4.13 121.20 118.10 2oqs s ILE 31 Ca 0.66 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.86 2oqs s ILE 31 Cb -0.06 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2oqs s ILE 31 CO 0.50 -0.07 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.70 2oqs s TYR 32 N 1.74 2.69 -0.10 3.97 1.51 -0.86 -0.91 117.35 125.38 2oqs s TYR 32 Ca 0.06 -0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 2oqs s TYR 32 Cb -0.18 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 2oqs s TYR 32 CO 0.11 0.28 1.07 0.08 -1.11 0.00 0.00 175.55 175.97 2oqs s VAL 33 N -0.92 4.62 -0.14 0.71 1.01 -1.21 -0.07 120.40 124.40 2oqs s VAL 33 Ca 0.15 1.91 0.18 0.00 0.00 0.00 0.00 61.98 64.21 2oqs s VAL 33 Cb -0.11 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 2oqs s VAL 33 CO 0.05 -0.01 0.36 1.07 0.00 0.00 0.00 175.10 176.57 2oqs n THR 34 N 4.64 1.13 -3.65 3.92 5.66 -1.12 -3.78 114.28 121.08 2oqs n THR 34 Ca 0.10 -0.75 -0.03 0.00 -3.05 0.00 0.00 64.05 60.31 2oqs n THR 34 Cb 0.48 -0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 68.70 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2oqs s LYS 35 N -2.77 0.61 -0.22 1.09 1.02 -1.26 -4.98 119.74 113.22 2oqs s LYS 35 Ca -0.08 1.36 -0.08 0.00 0.02 0.00 0.00 55.97 57.20 2oqs s LYS 35 Cb 0.08 0.62 -0.04 0.00 -0.52 0.00 0.00 37.83 37.97 2oqs s LYS 35 CO 0.84 -0.19 0.10 0.42 -0.92 0.00 0.00 175.35 175.60 2oqs s ILE 36 N 2.48 4.81 0.38 2.17 1.01 -1.26 0.51 121.20 131.29 2oqs s ILE 36 Ca -0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 2oqs s ILE 36 Cb -0.10 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.05 2oqs s ILE 36 CO -0.19 0.38 0.94 -0.63 0.00 0.00 0.00 174.94 175.45 2oqs s ILE 37 N 0.98 4.31 0.64 2.92 1.09 0.16 -4.96 121.20 126.35 2oqs s ILE 37 Ca 0.05 1.64 -0.18 0.00 -1.10 0.00 0.00 60.65 61.06 2oqs s ILE 37 Cb -0.14 -3.79 -0.02 0.00 -1.06 0.00 0.00 42.46 37.46 2oqs s ILE 37 CO 0.03 -0.11 1.18 -0.62 -0.10 0.00 0.00 174.94 175.32 2oqs n GLU 38 N -0.08 1.00 -1.77 2.79 1.02 -1.26 -2.41 120.64 119.93 2oqs n GLU 38 Ca 0.05 0.40 -0.18 0.00 -0.02 0.00 0.00 57.16 57.40 2oqs n GLU 38 Cb 0.52 -2.41 -0.06 0.00 -0.02 0.00 0.00 31.44 29.47 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 1.05 1.12 3.96 0.62 0.00 -1.26 -4.96 105.19 105.72 2oqs n GLY 39 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.40 1.79 0.19 -0.02 0.00 -1.01 -4.79 107.32 101.07 2oqs s GLY 40 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 44.72 43.34 2oqs s GLY 40 CO 0.00 -0.90 1.67 0.00 0.00 0.00 0.00 173.10 173.86 2oqs h ALA 41 N -0.16 0.45 0.16 3.20 0.00 0.42 0.38 119.26 123.71 2oqs h ALA 41 Ca -0.42 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2oqs h ALA 41 Cb 1.30 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2oqs h ALA 41 CO 0.54 -0.41 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 2oqs h ALA 42 N 1.49 -0.21 -0.68 0.00 0.00 -1.90 -2.31 119.26 115.65 2oqs h ALA 42 Ca 0.26 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2oqs h ALA 42 Cb 0.41 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 2oqs h ALA 42 CO -0.48 -0.30 0.26 1.25 0.00 0.00 0.00 179.25 179.99 2oqs h HIS 43 N -0.85 0.45 -0.31 0.00 6.17 -1.75 0.11 115.15 118.98 2oqs h HIS 43 Ca -0.02 0.03 -0.16 0.00 0.71 0.00 0.00 60.37 60.93 2oqs h HIS 43 Cb 0.53 -0.10 -0.00 0.00 2.52 0.00 0.00 27.41 30.35 2oqs h HIS 43 CO 0.09 0.09 -0.46 0.87 0.71 0.00 0.00 177.93 179.22 2oqs h LYS 44 N 0.43 0.81 0.50 5.26 1.57 -0.33 -3.32 116.57 121.50 2oqs h LYS 44 Ca 0.36 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2oqs h LYS 44 Cb 0.49 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2oqs h LYS 44 CO -0.35 1.10 -0.24 0.22 -0.57 0.00 0.00 179.45 179.60 2oqs h ASP 45 N 0.65 -0.57 0.00 0.86 3.58 -0.78 -3.48 116.42 116.67 2oqs h ASP 45 Ca 0.04 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2oqs h ASP 45 Cb 1.04 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2oqs h ASP 45 CO 0.10 -0.21 0.00 0.61 -2.88 0.00 0.00 179.24 176.87 2oqs n GLY 46 N -0.48 2.37 0.30 -0.78 0.00 -0.04 -4.92 105.19 101.64 2oqs n GLY 46 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 0.51 1.07 -5.67 1.61 1.79 -1.93 -3.42 116.57 110.54 2oqs h LYS 47 Ca 0.00 -0.36 -0.59 0.00 -2.18 0.00 0.00 60.65 57.53 2oqs h LYS 47 Cb 0.00 -0.09 -0.09 0.00 -1.58 0.00 0.00 32.23 30.47 2oqs h LYS 47 CO 0.00 1.06 0.02 -1.17 -1.08 0.00 0.00 179.45 178.28 2oqs s LEU 48 N -9.31 4.18 -0.00 2.94 0.20 -1.26 -5.06 118.68 110.37 2oqs s LEU 48 Ca -0.12 0.81 -0.05 0.00 0.69 0.00 0.00 54.13 55.47 2oqs s LEU 48 Cb 0.13 -2.81 -0.00 0.00 -0.43 0.00 0.00 46.19 43.08 2oqs s LEU 48 CO 0.86 -0.18 0.09 0.00 -0.29 0.00 0.00 176.35 176.83 2oqs s GLN 49 N 1.50 0.35 0.16 1.98 0.00 -1.26 -4.53 119.66 117.87 2oqs s GLN 49 Ca 0.27 -0.33 -0.18 0.00 -0.00 0.00 0.00 55.36 55.12 2oqs s GLN 49 Cb -0.16 0.14 -0.12 0.00 0.00 0.00 0.00 33.01 32.88 2oqs s GLN 49 CO 0.11 -0.07 0.31 -0.89 0.00 0.00 0.00 175.29 174.74 2oqs n ILE 50 N 1.86 1.22 -0.13 3.63 2.08 -1.26 -1.97 119.36 124.79 2oqs n ILE 50 Ca -0.21 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 62.76 2oqs n ILE 50 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.45 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 1.41 1.25 3.77 7.39 0.00 -1.25 -5.04 105.19 112.72 2oqs n GLY 51 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.97 6.38 0.08 1.61 1.47 -0.83 -4.93 116.67 117.48 2oqs s ASP 52 Ca 0.00 2.26 0.05 0.00 1.18 0.00 0.00 52.55 56.04 2oqs s ASP 52 Cb 0.00 -2.60 -0.04 0.00 -0.34 0.00 0.00 42.92 39.94 2oqs s ASP 52 CO 0.00 -0.77 -0.04 -1.59 0.68 0.00 0.00 175.17 173.45 2oqs s LYS 53 N -2.55 2.43 -0.19 2.11 0.00 -1.26 -3.30 119.74 116.98 2oqs s LYS 53 Ca 0.61 -0.87 -0.06 0.00 0.00 0.00 0.00 55.97 55.65 2oqs s LYS 53 Cb -0.28 -2.47 -0.03 0.00 0.00 0.00 0.00 37.83 35.05 2oqs s LYS 53 CO 0.34 0.54 0.03 -0.51 0.00 0.00 0.00 175.35 175.75 2oqs s LEU 54 N -2.10 3.51 -0.20 2.77 1.43 -0.09 -3.75 118.68 120.24 2oqs s LEU 54 Ca 0.23 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 53.06 2oqs s LEU 54 Cb -0.11 -1.89 -0.17 0.00 0.03 0.00 0.00 46.19 44.05 2oqs s LEU 54 CO 0.15 0.12 0.17 0.25 0.23 0.00 0.00 176.35 177.27 2oqs h LEU 55 N 7.11 0.00 -7.08 1.79 6.46 0.19 -3.32 115.31 120.46 2oqs h LEU 55 Ca -0.35 -0.45 0.13 0.00 -0.12 0.00 0.00 57.88 57.09 2oqs h LEU 55 Cb 1.18 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.96 2oqs h LEU 55 CO 0.64 1.37 0.51 0.00 -0.62 0.00 0.00 178.44 180.34 2oqs s ALA 56 N -2.41 -1.82 -0.24 1.25 0.00 -0.83 0.80 121.76 118.51 2oqs s ALA 56 Ca -0.26 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 2oqs s ALA 56 Cb 0.05 0.42 0.09 0.00 0.00 0.00 0.00 23.12 23.69 2oqs s ALA 56 CO 0.54 -0.73 0.55 0.54 0.00 0.00 0.00 175.76 176.66 2oqs s VAL 57 N -3.11 -0.47 -0.90 0.00 0.11 0.15 0.15 120.40 116.33 2oqs s VAL 57 Ca 0.06 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2oqs s VAL 57 Cb -0.01 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2oqs s VAL 57 CO -0.07 0.03 0.76 0.59 -3.33 0.00 0.00 175.10 173.08 2oqs n ASN 58 N 4.92 -6.71 0.00 3.54 4.13 -1.23 -2.53 115.26 117.38 2oqs n ASN 58 Ca -0.15 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.59 2oqs n ASN 58 Cb 0.53 -4.50 0.00 0.00 -1.54 0.00 0.00 39.78 34.27 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 -2.42 0.00 -4.77 6.41 2.85 -1.26 -4.92 115.26 111.15 2oqs n ASN 59 Ca -0.07 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.03 2oqs n ASN 59 Cb 0.57 -0.33 -0.07 0.00 1.24 0.00 0.00 39.78 41.19 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 -0.17 5.28 0.37 3.44 -7.23 -1.05 -5.07 120.40 115.97 2oqs s VAL 60 Ca 0.00 0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 60.46 2oqs s VAL 60 Cb 0.00 -3.61 -0.09 0.00 0.56 0.00 0.00 36.38 33.24 2oqs s VAL 60 CO 0.00 0.46 1.12 0.00 -0.31 0.00 0.00 175.10 176.37 2oqs n LEU 62 N 0.31 3.87 -0.01 0.00 4.77 0.24 -4.36 117.00 121.82 2oqs n LEU 62 Ca 0.03 -2.08 0.04 0.00 -0.03 0.00 0.00 56.01 53.96 2oqs n LEU 62 Cb 0.47 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2oqs n LEU 62 CO 0.50 0.91 -0.62 1.21 -1.33 0.00 0.00 177.39 178.05 2oqs n GLU 63 N 1.30 0.51 -2.66 3.23 4.07 -1.18 -1.71 120.64 124.21 2oqs n GLU 63 Ca 0.22 -0.08 -0.24 0.00 -0.06 0.00 0.00 57.16 57.01 2oqs n GLU 63 Cb 0.63 -1.22 -0.01 0.00 -0.06 0.00 0.00 31.44 30.78 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2oqs n GLU 64 N -1.86 2.88 -3.80 5.31 4.71 -1.26 -4.35 120.64 122.26 2oqs n GLU 64 Ca -0.03 -4.33 -0.12 0.00 -0.01 0.00 0.00 57.16 52.67 2oqs n GLU 64 Cb 0.29 -2.06 -0.08 0.00 -1.01 0.00 0.00 31.44 28.58 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2oqs s VAL 65 N -4.72 0.08 0.25 2.62 -7.23 -1.26 -5.00 120.40 105.14 2oqs s VAL 65 Ca 0.45 -0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 59.90 2oqs s VAL 65 Cb 0.38 -0.74 0.06 0.00 0.56 0.00 0.00 36.38 36.64 2oqs s VAL 65 CO -0.14 -0.37 0.19 0.41 -0.31 0.00 0.00 175.10 174.88 2oqs n THR 66 N 0.98 0.00 -0.02 5.32 -1.04 -1.26 -3.53 114.28 114.73 2oqs n THR 66 Ca -0.20 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.60 2oqs n THR 66 Cb 0.57 -0.74 -0.04 0.00 -1.82 0.00 0.00 70.33 68.31 2oqs n THR 66 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2oqs h HIS 67 N -1.94 0.96 -0.68 -1.42 2.76 -0.89 -2.84 115.15 111.11 2oqs h HIS 67 Ca -0.08 -0.40 0.10 0.00 -2.20 0.00 0.00 60.37 57.80 2oqs h HIS 67 Cb 0.24 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 28.97 2oqs h HIS 67 CO 0.00 1.21 0.29 1.05 -1.30 0.00 0.00 177.93 179.18 2oqs h GLU 68 N 0.52 0.48 -0.30 5.26 9.09 -1.92 -0.72 114.58 126.98 2oqs h GLU 68 Ca -0.03 -0.03 -0.11 0.00 0.05 0.00 0.00 59.36 59.24 2oqs h GLU 68 Cb 1.31 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 2oqs h GLU 68 CO 0.14 0.32 -0.29 1.49 0.05 0.00 0.00 179.01 180.72 2oqs h GLU 69 N 0.49 0.62 -0.81 1.06 4.22 -1.90 0.24 114.58 118.49 2oqs h GLU 69 Ca 0.34 -0.26 0.02 0.00 0.08 0.00 0.00 59.36 59.54 2oqs h GLU 69 Cb 0.42 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2oqs h GLU 69 CO -0.31 0.84 0.53 0.00 -2.18 0.00 0.00 179.01 177.89 2oqs h ALA 70 N 1.15 1.05 0.16 2.92 0.00 -0.94 -0.32 119.26 123.28 2oqs h ALA 70 Ca 0.07 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 2oqs h ALA 70 Cb 0.77 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 70 CO 0.06 0.40 -1.37 0.28 0.00 0.00 0.00 179.25 178.62 2oqs h VAL 71 N 1.07 1.37 -0.31 0.00 2.07 -1.00 -2.89 116.25 116.56 2oqs h VAL 71 Ca 0.31 -2.91 -0.05 0.00 0.82 0.00 0.00 66.70 64.87 2oqs h VAL 71 Cb -0.07 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2oqs h VAL 71 CO -0.08 0.86 -0.04 0.74 0.02 0.00 0.00 177.57 179.07 2oqs h THR 72 N 0.09 1.20 0.14 2.57 2.02 -0.27 -0.26 112.91 118.39 2oqs h THR 72 Ca -0.19 -0.82 -0.29 0.00 0.77 0.00 0.00 66.41 65.88 2oqs h THR 72 Cb 2.04 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2oqs h THR 72 CO 0.22 0.27 -1.37 0.00 0.37 0.00 0.00 175.52 175.01 2oqs h ALA 73 N 1.51 0.13 -0.04 6.16 0.00 -1.15 -1.03 119.26 124.84 2oqs h ALA 73 Ca 0.10 -0.96 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 2oqs h ALA 73 Cb 0.36 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 73 CO 0.01 1.01 -0.54 -0.07 0.00 0.00 0.00 179.25 179.66 2oqs h LEU 74 N 0.08 0.12 0.00 0.00 -0.00 -1.34 -3.05 115.31 111.12 2oqs h LEU 74 Ca -0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2oqs h LEU 74 Cb 2.01 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.63 2oqs h LEU 74 CO 0.20 0.64 -0.92 2.29 -0.00 0.00 0.00 178.44 180.65 2oqs n LYS 75 N -3.91 0.46 -1.73 1.13 2.85 -0.12 -4.63 118.16 112.21 2oqs n LYS 75 Ca -0.02 0.08 -0.42 0.00 -1.05 0.00 0.00 58.31 56.91 2oqs n LYS 75 Cb 0.56 -1.74 -0.01 0.00 -0.65 0.00 0.00 35.03 33.18 2oqs n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2oqs n ASN 76 N -2.38 3.68 -4.20 -5.58 4.05 -0.39 -4.89 115.26 105.56 2oqs n ASN 76 Ca 0.01 -2.81 -0.13 0.00 0.45 0.00 0.00 54.58 52.11 2oqs n ASN 76 Cb 0.50 -1.56 -0.10 0.00 1.23 0.00 0.00 39.78 39.85 2oqs n ASN 76 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2oqs s THR 77 N 4.05 0.91 0.00 -0.44 -1.32 -1.26 -4.97 115.64 112.61 2oqs s THR 77 Ca 0.51 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 2oqs s THR 77 Cb 0.12 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.43 2oqs s THR 77 CO -0.01 -0.77 0.00 -1.54 -2.21 0.00 0.00 174.62 170.08 2oqs n SER 78 N 0.00 0.00 -0.07 8.08 3.41 -1.26 -5.04 113.62 118.74 2oqs n SER 78 Ca -0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.37 2oqs n SER 78 Cb 0.60 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 2oqs n SER 78 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2oqs n ASP 79 N -1.84 1.54 -4.56 4.04 2.03 -1.26 -4.88 116.55 111.62 2oqs n ASP 79 Ca 0.00 0.25 -0.26 0.00 0.52 0.00 0.00 54.79 55.31 2oqs n ASP 79 Cb 0.00 -0.59 -0.10 0.00 -0.72 0.00 0.00 41.12 39.71 2oqs n ASP 79 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2oqs s PHE 80 N -2.51 2.43 0.01 -0.67 5.36 -1.26 -1.00 117.98 120.34 2oqs s PHE 80 Ca -0.23 -0.49 -0.02 0.00 -0.96 0.00 0.00 56.93 55.23 2oqs s PHE 80 Cb 0.06 -1.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.32 2oqs s PHE 80 CO 0.31 0.57 0.03 0.54 -1.46 0.00 0.00 175.22 175.21 2oqs s VAL 81 N -2.60 0.08 -0.05 3.12 0.11 -0.96 -4.84 120.40 115.26 2oqs s VAL 81 Ca 0.33 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2oqs s VAL 81 Cb 0.02 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 2oqs s VAL 81 CO 0.17 -0.35 -0.09 -0.47 -3.33 0.00 0.00 175.10 171.02 2oqs s TYR 82 N -1.10 1.16 0.05 1.54 6.14 -1.26 -1.84 117.35 122.04 2oqs s TYR 82 Ca -0.12 -0.39 0.05 0.00 0.64 0.00 0.00 57.07 57.25 2oqs s TYR 82 Cb -0.07 -0.89 -0.02 0.00 0.42 0.00 0.00 41.96 41.39 2oqs s TYR 82 CO -0.00 -0.23 -0.14 -1.17 0.64 0.00 0.00 175.55 174.65 2oqs s LEU 83 N 0.69 2.21 0.02 6.97 2.96 -0.95 -3.52 118.68 127.07 2oqs s LEU 83 Ca -0.13 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.34 2oqs s LEU 83 Cb -0.15 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 2oqs s LEU 83 CO 0.02 -0.01 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.27 2oqs s LYS 84 N -1.38 1.99 -0.03 1.98 -0.14 0.40 0.03 119.74 122.60 2oqs s LYS 84 Ca 0.00 -1.01 0.06 0.00 -1.36 0.00 0.00 55.97 53.66 2oqs s LYS 84 Cb -0.09 -2.07 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 2oqs s LYS 84 CO 0.02 0.54 -0.19 0.08 -0.76 0.00 0.00 175.35 175.03 2oqs s VAL 85 N -0.77 1.54 0.14 3.17 1.01 -0.37 0.84 120.40 125.95 2oqs s VAL 85 Ca 0.12 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2oqs s VAL 85 Cb -0.10 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 2oqs s VAL 85 CO 0.02 0.44 0.41 0.00 0.00 0.00 0.00 175.10 175.96 2oqs s ALA 86 N -0.29 3.74 -0.63 5.51 0.00 -1.25 -0.57 121.76 128.28 2oqs s ALA 86 Ca 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 2oqs s ALA 86 Cb -0.09 -2.21 0.16 0.00 0.00 0.00 0.00 23.12 20.98 2oqs s ALA 86 CO 0.00 0.62 0.44 0.21 0.00 0.00 0.00 175.76 177.03 2oqs s LYS 87 N -2.49 2.56 0.20 0.00 2.20 -1.26 -4.73 119.74 116.23 2oqs s LYS 87 Ca 0.40 -2.55 -0.32 0.00 -0.36 0.00 0.00 55.97 53.14 2oqs s LYS 87 Cb -0.12 -3.72 -0.13 0.00 -1.51 0.00 0.00 37.83 32.34 2oqs s LYS 87 CO 0.22 -1.17 1.60 -2.30 -0.36 0.00 0.00 175.35 173.34 2oqs n PRO 88 N 3.46 2.40 -3.57 4.03 -0.02 -1.26 -5.00 135.00 135.04 2oqs n PRO 88 Ca 0.08 0.86 -0.18 0.00 -2.02 0.00 0.00 63.50 62.24 2oqs n PRO 88 Cb 0.38 -2.64 -0.14 0.00 -0.02 0.00 0.00 33.50 31.07 2oqs n PRO 88 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2oqs s THR 89 N 0.73 -0.29 -1.54 3.45 -4.23 -1.26 -4.88 115.64 107.62 2oqs s THR 89 Ca 0.74 0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 61.27 2oqs s THR 89 Cb -0.60 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 72.73 2oqs s THR 89 CO 0.39 -0.08 0.39 0.61 -0.54 0.00 0.00 174.62 175.40 2oqs n GLY 90 N 5.32 -0.51 0.29 3.99 0.00 -1.26 -4.88 105.19 108.13 2oqs n GLY 90 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 0.71 0.00 1.61 0.02 -1.99 -3.57 113.55 109.44 2oqs h SER 91 Ca -0.49 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2oqs h SER 91 Cb 1.34 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2oqs h SER 91 CO 0.55 0.76 0.00 0.00 -1.14 0.00 0.00 176.83 177.00