#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 1.24 -0.53 0.03 1.03 -1.26 -4.49 118.70 114.72 2oqs s GLU 2 Ca 0.00 -0.28 -0.17 0.00 0.03 0.00 0.00 54.97 54.55 2oqs s GLU 2 Cb 0.00 -1.10 0.09 0.00 -0.80 0.00 0.00 34.13 32.33 2oqs s GLU 2 CO 0.00 0.00 0.56 0.42 -1.33 0.00 0.00 175.26 174.91 2oqs s ILE 3 N 0.67 5.04 -0.80 1.83 1.09 -0.95 -5.01 121.20 123.08 2oqs s ILE 3 Ca -0.12 -1.05 -0.14 0.00 -1.10 0.00 0.00 60.65 58.24 2oqs s ILE 3 Cb -0.14 -4.33 0.21 0.00 -1.06 0.00 0.00 42.46 37.14 2oqs s ILE 3 CO 0.02 -0.86 0.75 -0.75 -0.10 0.00 0.00 174.94 173.99 2oqs s LYS 4 N 2.13 3.53 -0.16 2.79 2.20 -1.26 -1.28 119.74 127.70 2oqs s LYS 4 Ca 0.08 -2.35 -0.12 0.00 -0.36 0.00 0.00 55.97 53.22 2oqs s LYS 4 Cb -0.25 -4.43 -0.05 0.00 -1.51 0.00 0.00 37.83 31.60 2oqs s LYS 4 CO 0.07 -1.31 0.24 -0.51 -0.36 0.00 0.00 175.35 173.47 2oqs s LEU 5 N 0.42 4.26 -0.05 5.43 1.43 0.41 -4.95 118.68 125.63 2oqs s LEU 5 Ca 0.17 0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 2oqs s LEU 5 Cb -0.12 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2oqs s LEU 5 CO -0.07 0.17 0.63 -0.51 0.23 0.00 0.00 176.35 176.79 2oqs s ILE 6 N 0.18 5.02 -0.52 -0.59 2.07 -1.26 0.11 121.20 126.21 2oqs s ILE 6 Ca 0.14 1.29 -0.28 0.00 -1.41 0.00 0.00 60.65 60.40 2oqs s ILE 6 Cb -0.13 -3.96 -0.00 0.00 0.13 0.00 0.00 42.46 38.50 2oqs s ILE 6 CO 0.03 0.32 1.63 -0.75 -1.91 0.00 0.00 174.94 174.26 2oqs s LYS 7 N 0.43 3.13 0.00 3.50 2.47 -1.10 -4.88 119.74 123.29 2oqs s LYS 7 Ca 0.33 0.74 0.00 0.00 -1.56 0.00 0.00 55.97 55.48 2oqs s LYS 7 Cb -0.17 -4.21 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 2oqs s LYS 7 CO 0.16 -2.13 0.00 0.41 0.16 0.00 0.00 175.35 173.95 2oqs n GLY 8 N 5.41 3.55 0.33 5.54 0.00 -1.26 -4.99 105.19 113.77 2oqs n GLY 8 Ca 0.17 -2.04 0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 0.81 0.00 1.61 0.11 -2.04 -3.41 132.00 129.08 2oqs h PRO 9 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2oqs h PRO 9 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2oqs h PRO 9 CO 0.00 0.57 0.00 1.17 -0.21 0.00 0.00 178.00 179.53 2oqs n LYS 10 N -4.42 0.00 0.00 1.05 4.81 -1.26 -5.13 118.16 113.21 2oqs n LYS 10 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2oqs n LYS 10 Cb 0.07 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.12 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2oqs n GLY 11 N 4.99 1.76 0.09 3.14 0.00 -1.26 -5.05 105.19 108.86 2oqs n GLY 11 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.47 0.99 -0.00 -1.98 -3.37 115.31 110.48 2oqs h LEU 12 Ca 0.00 -0.73 -0.02 0.00 -0.00 0.00 0.00 57.88 57.13 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2oqs h LEU 12 CO 0.00 1.24 -0.03 0.61 -0.00 0.00 0.00 178.44 180.26 2oqs n GLY 13 N 1.52 0.63 1.49 0.83 0.00 -1.26 -0.08 105.19 108.33 2oqs n GLY 13 Ca -0.21 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.25 -1.35 -4.39 1.61 1.16 -1.26 0.57 117.46 110.54 2oqs n PHE 14 Ca -0.01 -0.67 -0.20 0.00 -1.87 0.00 0.00 57.45 54.71 2oqs n PHE 14 Cb 0.51 0.33 -0.10 0.00 -1.61 0.00 0.00 39.48 38.61 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 -1.86 1.86 0.25 5.98 1.04 0.14 -4.88 113.70 116.24 2oqs s SER 15 Ca 0.07 -1.42 -0.16 0.00 0.48 0.00 0.00 55.95 54.92 2oqs s SER 15 Cb -0.02 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.21 2oqs s SER 15 CO 0.04 -0.71 0.56 0.27 0.98 0.00 0.00 173.24 174.39 2oqs s ILE 16 N -3.50 0.00 0.18 -1.02 -0.00 -1.26 -2.49 121.20 113.11 2oqs s ILE 16 Ca 0.36 -1.20 0.02 0.00 -0.00 0.00 0.00 60.65 59.83 2oqs s ILE 16 Cb 0.08 -2.06 -0.05 0.00 -0.00 0.00 0.00 42.46 40.43 2oqs s ILE 16 CO 0.15 -0.02 -0.01 0.00 -0.00 0.00 0.00 174.94 175.06 2oqs s ALA 17 N -3.97 1.44 0.00 2.27 0.00 0.18 -4.76 121.76 116.91 2oqs s ALA 17 Ca 0.17 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2oqs s ALA 17 Cb -0.03 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2oqs s ALA 17 CO 0.07 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2oqs n GLY 18 N -0.26 2.55 0.00 0.00 0.00 -1.18 -1.58 105.19 104.72 2oqs n GLY 18 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 2.73 3.76 -0.02 0.00 -0.92 0.04 105.19 110.78 2oqs n GLY 19 Ca 0.00 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 2oqs n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oqs s VAL 20 N -2.70 2.58 0.00 1.61 -7.23 -1.26 -0.03 120.40 113.38 2oqs s VAL 20 Ca 0.00 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 2oqs s VAL 20 Cb 0.00 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2oqs s VAL 20 CO 0.00 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2oqs n GLY 21 N 0.62 2.99 0.97 2.32 0.00 -1.26 -4.61 105.19 106.23 2oqs n GLY 21 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2oqs n GLY 21 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oqs n ASN 22 N 0.00 0.64 -4.75 1.61 6.94 -0.98 -5.12 115.26 113.60 2oqs n ASN 22 Ca 0.00 -2.12 -0.38 0.00 -0.02 0.00 0.00 54.58 52.06 2oqs n ASN 22 Cb 0.00 -0.27 0.03 0.00 -2.36 0.00 0.00 39.78 37.19 2oqs n ASN 22 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2oqs s GLN 23 N -0.23 3.23 0.17 -3.83 -0.21 0.96 -3.10 119.66 116.65 2oqs s GLN 23 Ca 0.19 2.20 0.20 0.00 0.02 0.00 0.00 55.36 57.98 2oqs s GLN 23 Cb 0.21 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 2oqs s GLN 23 CO -0.08 -1.11 1.01 1.25 -2.12 0.00 0.00 175.29 174.24 2oqs h HIS 24 N 1.56 0.00 -2.87 0.91 -0.00 -1.82 -3.46 115.15 109.46 2oqs h HIS 24 Ca -0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 59.70 2oqs h HIS 24 Cb 1.29 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 28.42 2oqs h HIS 24 CO 0.47 0.20 -0.40 -1.50 -0.00 0.00 0.00 177.93 176.69 2oqs s ILE 25 N -3.21 -0.03 -0.13 6.26 2.07 -1.26 -5.06 121.20 119.84 2oqs s ILE 25 Ca -0.01 0.11 -0.36 0.00 -1.41 0.00 0.00 60.65 58.99 2oqs s ILE 25 Cb 0.09 -0.47 -0.13 0.00 0.13 0.00 0.00 42.46 42.08 2oqs s ILE 25 CO 0.79 0.05 1.83 -2.65 -1.91 0.00 0.00 174.94 173.05 2oqs n PRO 26 N 4.12 1.88 0.00 3.50 -0.02 -1.26 -2.35 135.00 140.86 2oqs n PRO 26 Ca -0.23 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2oqs n PRO 26 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 4.30 2.85 3.53 -1.23 0.00 -1.26 -4.99 105.19 108.39 2oqs n GLY 27 Ca 0.24 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 6.37 -0.05 1.61 1.11 -0.99 -4.91 116.67 119.81 2oqs s ASP 28 Ca 0.00 -0.23 0.06 0.00 0.18 0.00 0.00 52.55 52.56 2oqs s ASP 28 Cb 0.00 -2.37 0.27 0.00 1.07 0.00 0.00 42.92 41.89 2oqs s ASP 28 CO 0.00 -0.91 1.05 0.59 1.18 0.00 0.00 175.17 177.08 2oqs n ASN 29 N 6.64 2.20 -3.40 0.27 3.02 -1.26 -4.01 115.26 118.71 2oqs n ASN 29 Ca 0.01 -2.20 -0.29 0.00 -0.03 0.00 0.00 54.58 52.07 2oqs n ASN 29 Cb 0.48 -0.41 0.25 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.25 -2.78 -4.42 6.41 7.64 -1.26 -2.16 113.62 117.30 2oqs n SER 30 Ca 0.10 -1.03 -0.42 0.00 1.01 0.00 0.00 58.87 58.53 2oqs n SER 30 Cb 0.44 -0.95 -0.10 0.00 -1.01 0.00 0.00 64.21 62.59 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 -2.59 4.99 -0.03 0.44 1.09 -0.58 -4.08 121.20 120.44 2oqs s ILE 31 Ca 0.66 -0.77 -0.01 0.00 -1.10 0.00 0.00 60.65 59.43 2oqs s ILE 31 Cb -0.08 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.48 2oqs s ILE 31 CO 0.52 -0.31 0.07 -0.31 -0.10 0.00 0.00 174.94 174.82 2oqs s TYR 32 N 1.63 3.28 0.00 3.97 1.51 -0.62 0.57 117.35 127.70 2oqs s TYR 32 Ca 0.04 0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 2oqs s TYR 32 Cb -0.19 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 2oqs s TYR 32 CO 0.08 0.55 1.04 0.08 -1.11 0.00 0.00 175.55 176.19 2oqs s VAL 33 N -1.13 4.66 -0.13 0.71 1.01 -1.21 0.47 120.40 124.78 2oqs s VAL 33 Ca 0.21 1.91 0.16 0.00 0.00 0.00 0.00 61.98 64.25 2oqs s VAL 33 Cb -0.12 -4.22 -0.23 0.00 0.00 0.00 0.00 36.38 31.81 2oqs s VAL 33 CO 0.11 0.13 0.14 0.35 0.00 0.00 0.00 175.10 175.84 2oqs n THR 34 N 3.98 0.87 -3.55 3.92 -2.24 -1.04 -2.89 114.28 113.34 2oqs n THR 34 Ca 0.07 -0.64 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 2oqs n THR 34 Cb 0.50 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 2oqs n THR 34 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2oqs s LYS 35 N -2.63 0.55 -0.26 -0.78 2.47 -1.26 -4.97 119.74 112.86 2oqs s LYS 35 Ca -0.08 1.31 -0.12 0.00 -1.56 0.00 0.00 55.97 55.52 2oqs s LYS 35 Cb 0.07 0.73 -0.05 0.00 -1.46 0.00 0.00 37.83 37.13 2oqs s LYS 35 CO 0.71 -0.30 0.25 0.42 0.16 0.00 0.00 175.35 176.59 2oqs s ILE 36 N 2.86 5.28 0.40 5.43 1.01 -1.26 0.27 121.20 135.18 2oqs s ILE 36 Ca 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 2oqs s ILE 36 Cb -0.13 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 2oqs s ILE 36 CO -0.19 0.25 0.98 -0.63 0.00 0.00 0.00 174.94 175.35 2oqs s ILE 37 N 1.64 4.15 0.50 2.92 1.09 0.19 -4.94 121.20 126.74 2oqs s ILE 37 Ca 0.10 1.52 -0.23 0.00 -1.10 0.00 0.00 60.65 60.94 2oqs s ILE 37 Cb -0.15 -3.72 -0.06 0.00 -1.06 0.00 0.00 42.46 37.47 2oqs s ILE 37 CO 0.09 -0.12 1.28 -1.61 -0.10 0.00 0.00 174.94 174.49 2oqs s GLU 38 N -2.73 3.46 -1.26 2.79 2.02 -1.26 -2.65 118.70 119.07 2oqs s GLU 38 Ca 0.58 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.63 2oqs s GLU 38 Cb -0.15 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.71 2oqs s GLU 38 CO 0.20 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 175.00 2oqs n GLY 39 N 0.61 1.21 3.96 -1.39 0.00 -1.26 -4.99 105.19 103.33 2oqs n GLY 39 Ca 0.08 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.57 1.71 0.15 -0.02 0.00 -1.08 -4.79 107.32 100.71 2oqs s GLY 40 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 43.27 2oqs s GLY 40 CO 0.00 -0.90 1.56 0.00 0.00 0.00 0.00 173.10 173.76 2oqs h ALA 41 N 0.12 -0.57 -0.08 3.20 0.00 -0.65 0.49 119.26 121.78 2oqs h ALA 41 Ca -0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2oqs h ALA 41 Cb 1.28 1.05 -0.00 0.00 0.00 0.00 0.00 17.79 20.11 2oqs h ALA 41 CO 0.55 -0.95 0.02 0.00 0.00 0.00 0.00 179.25 178.87 2oqs h ALA 42 N 0.28 0.10 -0.23 0.00 0.00 -1.85 -1.30 119.26 116.26 2oqs h ALA 42 Ca 0.12 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2oqs h ALA 42 Cb 0.58 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2oqs h ALA 42 CO -0.64 -0.27 -0.15 1.25 0.00 0.00 0.00 179.25 179.44 2oqs h HIS 43 N -0.09 -0.38 -0.72 0.00 6.17 -1.65 0.48 115.15 118.96 2oqs h HIS 43 Ca 0.02 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.08 2oqs h HIS 43 Cb 0.24 0.20 -0.03 0.00 2.52 0.00 0.00 27.41 30.35 2oqs h HIS 43 CO 0.01 -0.22 0.22 0.87 0.71 0.00 0.00 177.93 179.51 2oqs h LYS 44 N -0.14 1.12 -0.18 5.26 1.57 -0.03 -3.03 116.57 121.14 2oqs h LYS 44 Ca 0.13 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2oqs h LYS 44 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2oqs h LYS 44 CO -0.32 0.96 0.11 0.22 -0.57 0.00 0.00 179.45 179.85 2oqs h ASP 45 N 1.06 0.20 0.00 0.86 3.58 -0.62 -3.47 116.42 118.04 2oqs h ASP 45 Ca 0.23 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2oqs h ASP 45 Cb 0.31 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2oqs h ASP 45 CO -0.01 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 2oqs n GLY 46 N -1.10 3.02 0.21 -0.78 0.00 0.10 -4.85 105.19 101.80 2oqs n GLY 46 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 1.17 0.69 -6.28 1.61 6.56 -1.90 -3.42 116.57 114.99 2oqs h LYS 47 Ca 0.00 -0.21 -0.55 0.00 -1.06 0.00 0.00 60.65 58.83 2oqs h LYS 47 Cb 0.00 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.56 2oqs h LYS 47 CO 0.00 0.77 0.24 -1.17 -2.06 0.00 0.00 179.45 177.23 2oqs s LEU 48 N -9.45 4.38 0.03 2.94 0.20 -1.26 -5.06 118.68 110.46 2oqs s LEU 48 Ca -0.13 1.48 0.03 0.00 0.69 0.00 0.00 54.13 56.19 2oqs s LEU 48 Cb 0.10 -3.35 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 2oqs s LEU 48 CO 0.79 -0.14 -0.09 0.00 -0.29 0.00 0.00 176.35 176.62 2oqs s GLN 49 N 0.65 0.59 -0.16 1.98 0.00 -1.26 -4.71 119.66 116.75 2oqs s GLN 49 Ca 0.44 -0.61 -0.38 0.00 -0.00 0.00 0.00 55.36 54.82 2oqs s GLN 49 Cb -0.20 -0.47 -0.14 0.00 0.00 0.00 0.00 33.01 32.20 2oqs s GLN 49 CO 0.24 0.11 1.74 0.44 0.00 0.00 0.00 175.29 177.82 2oqs n ILE 50 N 1.94 0.35 0.00 3.63 -5.35 -1.26 -2.12 119.36 116.55 2oqs n ILE 50 Ca -0.19 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2oqs n ILE 50 Cb 0.56 -1.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.05 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 4.05 1.35 3.73 3.28 0.00 -1.14 -5.03 105.19 111.43 2oqs n GLY 51 Ca 0.24 0.00 -0.31 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 -1.52 3.81 0.05 1.61 1.47 -0.90 -4.83 116.67 116.36 2oqs s ASP 52 Ca 0.00 2.00 0.04 0.00 1.18 0.00 0.00 52.55 55.77 2oqs s ASP 52 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2oqs s ASP 52 CO 0.00 -2.51 -0.02 -1.59 0.68 0.00 0.00 175.17 171.73 2oqs s LYS 53 N -4.76 2.58 -0.51 2.11 0.00 -1.26 -3.28 119.74 114.62 2oqs s LYS 53 Ca 0.64 -0.76 -0.18 0.00 0.00 0.00 0.00 55.97 55.67 2oqs s LYS 53 Cb -0.20 -2.55 0.07 0.00 0.00 0.00 0.00 37.83 35.15 2oqs s LYS 53 CO 0.56 0.58 0.56 -0.51 0.00 0.00 0.00 175.35 176.54 2oqs s LEU 54 N -1.89 5.25 -0.01 2.77 1.43 0.19 -1.50 118.68 124.92 2oqs s LEU 54 Ca 0.22 -1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 51.95 2oqs s LEU 54 Cb -0.11 -2.35 -0.18 0.00 0.03 0.00 0.00 46.19 43.58 2oqs s LEU 54 CO 0.13 -0.85 1.21 0.25 0.23 0.00 0.00 176.35 177.32 2oqs h LEU 55 N 9.44 -0.18 -7.45 1.79 7.12 0.01 -3.34 115.31 122.70 2oqs h LEU 55 Ca -0.28 -0.31 -0.09 0.00 0.13 0.00 0.00 57.88 57.33 2oqs h LEU 55 Cb 1.10 0.05 -0.18 0.00 -0.53 0.00 0.00 40.66 41.10 2oqs h LEU 55 CO 0.96 0.24 -0.18 0.00 -0.13 0.00 0.00 178.44 179.33 2oqs s ALA 56 N -4.50 -0.90 -0.12 1.25 0.00 0.25 -0.85 121.76 116.90 2oqs s ALA 56 Ca -0.14 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 2oqs s ALA 56 Cb 0.02 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.43 2oqs s ALA 56 CO 0.58 -0.38 0.11 0.08 0.00 0.00 0.00 175.76 176.16 2oqs s VAL 57 N -2.07 -0.16 -0.97 0.00 1.01 0.31 0.13 120.40 118.65 2oqs s VAL 57 Ca -0.08 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2oqs s VAL 57 Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2oqs s VAL 57 CO 0.00 -0.05 0.81 0.59 0.00 0.00 0.00 175.10 176.46 2oqs n ASN 58 N 5.30 -2.57 0.00 3.32 4.13 -0.69 -2.75 115.26 122.00 2oqs n ASN 58 Ca -0.05 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.69 2oqs n ASN 58 Cb 0.50 -4.33 0.00 0.00 -1.54 0.00 0.00 39.78 34.41 2oqs n ASN 58 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2oqs n ASN 59 N -2.78 0.00 -4.92 6.41 3.02 -1.26 -4.99 115.26 110.75 2oqs n ASN 59 Ca -0.21 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.05 2oqs n ASN 59 Cb 0.63 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.96 5.18 0.03 2.41 -7.23 -1.11 -5.08 120.40 113.65 2oqs s VAL 60 Ca 0.00 -0.23 -0.25 0.00 -1.81 0.00 0.00 61.98 59.69 2oqs s VAL 60 Cb 0.00 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.18 2oqs s VAL 60 CO 0.00 -0.14 0.78 0.00 -0.31 0.00 0.00 175.10 175.43 2oqs n LEU 62 N 2.95 6.38 -0.00 0.00 7.94 -0.03 -4.35 117.00 129.89 2oqs n LEU 62 Ca -0.02 -3.78 0.01 0.00 -1.11 0.00 0.00 56.01 51.11 2oqs n LEU 62 Cb 0.50 -0.81 -0.02 0.00 0.53 0.00 0.00 43.42 43.62 2oqs n LEU 62 CO 0.48 1.19 -0.53 1.21 -1.11 0.00 0.00 177.39 178.62 2oqs n GLU 63 N -1.10 0.88 -2.41 1.96 0.00 -1.25 -1.53 120.64 117.18 2oqs n GLU 63 Ca 0.55 -0.01 -0.29 0.00 0.00 0.00 0.00 57.16 57.41 2oqs n GLU 63 Cb 1.39 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 31.78 2oqs n GLU 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2oqs n GLU 64 N -1.68 3.33 -3.79 5.31 0.00 -1.26 -4.29 120.64 118.27 2oqs n GLU 64 Ca -0.01 -4.37 -0.11 0.00 0.00 0.00 0.00 57.16 52.67 2oqs n GLU 64 Cb 0.17 -2.25 -0.08 0.00 0.00 0.00 0.00 31.44 29.28 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2oqs s VAL 65 N -5.42 0.09 0.08 6.31 -7.23 -1.26 -5.11 120.40 107.87 2oqs s VAL 65 Ca 0.49 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2oqs s VAL 65 Cb 0.40 -0.96 0.02 0.00 0.56 0.00 0.00 36.38 36.40 2oqs s VAL 65 CO -0.22 -0.43 0.07 0.35 -0.31 0.00 0.00 175.10 174.56 2oqs n THR 66 N 0.55 0.00 -0.05 5.32 -2.24 -1.26 -2.88 114.28 113.71 2oqs n THR 66 Ca -0.18 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 2oqs n THR 66 Cb 0.60 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.64 0.87 -0.52 4.78 2.76 -0.70 -2.67 115.15 118.04 2oqs h HIS 67 Ca -0.03 -0.34 0.10 0.00 -2.20 0.00 0.00 60.37 57.90 2oqs h HIS 67 Cb 0.08 -0.15 -0.11 0.00 1.55 0.00 0.00 27.41 28.79 2oqs h HIS 67 CO 0.00 1.13 -0.30 1.49 -1.30 0.00 0.00 177.93 178.95 2oqs h GLU 68 N 0.36 -0.17 -0.47 5.26 4.81 -1.93 0.26 114.58 122.70 2oqs h GLU 68 Ca -0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2oqs h GLU 68 Cb 1.13 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2oqs h GLU 68 CO 0.11 -0.11 0.25 0.93 -0.73 0.00 0.00 179.01 179.46 2oqs h GLU 69 N -0.17 0.64 -0.65 1.92 3.07 -1.91 0.49 114.58 117.97 2oqs h GLU 69 Ca 0.22 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 2oqs h GLU 69 Cb 0.53 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 2oqs h GLU 69 CO -0.61 0.48 0.42 0.00 -1.40 0.00 0.00 179.01 177.90 2oqs h ALA 70 N 1.62 0.83 0.19 3.43 0.00 -0.21 0.21 119.26 125.34 2oqs h ALA 70 Ca 0.17 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.74 2oqs h ALA 70 Cb 0.03 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.61 2oqs h ALA 70 CO -0.03 0.21 -1.37 0.28 0.00 0.00 0.00 179.25 178.34 2oqs h VAL 71 N 0.84 1.39 -0.69 0.00 2.07 -0.51 -2.87 116.25 116.47 2oqs h VAL 71 Ca 0.25 -2.87 -0.03 0.00 0.82 0.00 0.00 66.70 64.86 2oqs h VAL 71 Cb -0.04 3.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 2oqs h VAL 71 CO -0.08 0.85 0.30 0.74 0.02 0.00 0.00 177.57 179.40 2oqs h THR 72 N 0.11 1.23 -0.06 2.57 2.02 0.25 0.14 112.91 119.17 2oqs h THR 72 Ca -0.20 -0.69 -0.23 0.00 0.77 0.00 0.00 66.41 66.06 2oqs h THR 72 Cb 2.08 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2oqs h THR 72 CO 0.24 0.28 -0.90 0.00 0.37 0.00 0.00 175.52 175.52 2oqs h ALA 73 N 1.34 0.30 -0.34 6.16 0.00 -0.67 0.20 119.26 126.25 2oqs h ALA 73 Ca 0.23 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2oqs h ALA 73 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2oqs h ALA 73 CO -0.02 0.73 -0.24 -0.07 0.00 0.00 0.00 179.25 179.64 2oqs h LEU 74 N 0.39 0.67 0.00 0.00 -0.00 -1.27 -2.73 115.31 112.37 2oqs h LEU 74 Ca -0.08 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2oqs h LEU 74 Cb 1.53 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2oqs h LEU 74 CO 0.17 0.90 -0.27 0.07 -0.00 0.00 0.00 178.44 179.31 2oqs h LYS 75 N 0.58 0.00 -2.91 1.13 2.10 -0.69 -3.38 116.57 113.41 2oqs h LYS 75 Ca 0.08 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 58.05 2oqs h LYS 75 Cb 0.72 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2oqs h LYS 75 CO 0.06 0.00 3.53 -1.71 -2.00 0.00 0.00 179.45 179.33 2oqs n ASN 76 N -2.61 8.62 -4.07 7.07 5.15 0.68 -4.83 115.26 125.27 2oqs n ASN 76 Ca 0.04 -2.70 -0.32 0.00 -0.60 0.00 0.00 54.58 51.00 2oqs n ASN 76 Cb 0.49 -1.51 -0.15 0.00 -0.53 0.00 0.00 39.78 38.07 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 1.42 2.33 0.00 -0.44 -4.23 -1.26 -4.91 115.64 108.54 2oqs s THR 77 Ca 0.66 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2oqs s THR 77 Cb 0.18 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2oqs s THR 77 CO -0.07 -0.19 0.00 -0.24 -0.54 0.00 0.00 174.62 173.58 2oqs n SER 78 N 4.42 0.00 0.01 3.99 2.88 -1.26 -4.93 113.62 118.73 2oqs n SER 78 Ca -0.09 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.44 2oqs n SER 78 Cb 0.42 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2oqs n SER 78 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2oqs h ASP 79 N 0.00 -0.05 -4.22 -3.46 5.19 -1.96 -3.43 116.42 108.49 2oqs h ASP 79 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 2oqs h ASP 79 Cb 0.00 0.01 -0.31 0.00 0.18 0.00 0.00 39.33 39.22 2oqs h ASP 79 CO 0.00 0.07 -0.86 0.12 -3.12 0.00 0.00 179.24 175.44 2oqs s PHE 80 N -1.61 2.05 -0.27 4.55 2.19 -1.26 -2.69 117.98 120.93 2oqs s PHE 80 Ca -0.01 -0.50 -0.19 0.00 0.33 0.00 0.00 56.93 56.56 2oqs s PHE 80 Cb 0.00 -1.34 -0.02 0.00 -1.31 0.00 0.00 43.02 40.35 2oqs s PHE 80 CO 0.03 -0.11 0.59 0.08 1.83 0.00 0.00 175.22 177.63 2oqs s VAL 81 N -0.29 5.01 -0.40 3.12 1.01 0.30 -4.93 120.40 124.21 2oqs s VAL 81 Ca 0.02 0.98 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 2oqs s VAL 81 Cb -0.11 -3.91 0.11 0.00 0.00 0.00 0.00 36.38 32.47 2oqs s VAL 81 CO 0.01 0.01 0.17 -0.47 0.00 0.00 0.00 175.10 174.83 2oqs s TYR 82 N 2.45 3.63 -0.22 5.22 6.14 -1.26 -0.44 117.35 132.87 2oqs s TYR 82 Ca 0.24 -2.60 -0.16 0.00 0.64 0.00 0.00 57.07 55.19 2oqs s TYR 82 Cb -0.15 -3.14 -0.04 0.00 0.42 0.00 0.00 41.96 39.05 2oqs s TYR 82 CO 0.09 -0.96 0.41 -1.17 0.64 0.00 0.00 175.55 174.57 2oqs s LEU 83 N 1.01 4.13 -0.24 6.97 0.20 -0.40 -1.71 118.68 128.64 2oqs s LEU 83 Ca 0.09 0.49 -0.06 0.00 0.69 0.00 0.00 54.13 55.34 2oqs s LEU 83 Cb -0.22 -2.52 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 2oqs s LEU 83 CO -0.05 -0.12 0.03 -0.54 -0.29 0.00 0.00 176.35 175.39 2oqs s LYS 84 N 1.52 3.57 -0.14 1.98 -0.14 0.36 -2.23 119.74 124.67 2oqs s LYS 84 Ca 0.19 -0.52 -0.06 0.00 -1.36 0.00 0.00 55.97 54.22 2oqs s LYS 84 Cb -0.15 -3.22 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 2oqs s LYS 84 CO 0.08 -0.18 0.06 0.08 -0.76 0.00 0.00 175.35 174.64 2oqs s VAL 85 N 1.54 4.83 0.26 3.17 1.01 -1.26 0.69 120.40 130.63 2oqs s VAL 85 Ca 0.06 -0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 2oqs s VAL 85 Cb -0.15 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 2oqs s VAL 85 CO 0.02 0.55 0.76 0.00 0.00 0.00 0.00 175.10 176.42 2oqs s ALA 86 N -0.36 3.36 -0.41 5.51 0.00 -0.56 -4.58 121.76 124.71 2oqs s ALA 86 Ca 0.09 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 2oqs s ALA 86 Cb -0.12 -2.87 0.11 0.00 0.00 0.00 0.00 23.12 20.24 2oqs s ALA 86 CO 0.02 0.30 0.19 0.15 0.00 0.00 0.00 175.76 176.42 2oqs s LYS 87 N -2.21 1.92 0.46 0.00 -0.14 -1.26 -4.40 119.74 114.11 2oqs s LYS 87 Ca 0.47 -1.91 -0.23 0.00 -1.36 0.00 0.00 55.97 52.94 2oqs s LYS 87 Cb -0.15 -3.50 -0.07 0.00 -1.68 0.00 0.00 37.83 32.42 2oqs s LYS 87 CO 0.20 -1.05 1.16 -1.25 -0.76 0.00 0.00 175.35 173.65 2oqs s PRO 88 N 0.96 3.76 0.14 -1.68 0.04 -1.26 -4.98 135.00 131.99 2oqs s PRO 88 Ca 0.10 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2oqs s PRO 88 Cb -0.22 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2oqs s PRO 88 CO -0.05 -0.55 0.00 2.41 0.04 0.00 0.00 177.00 178.85 2oqs n THR 89 N -0.50 0.69 0.00 1.26 -1.04 -1.26 -5.12 114.28 108.31 2oqs n THR 89 Ca 0.07 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 2oqs n THR 89 Cb 0.48 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 2.77 0.01 0.15 3.41 0.00 -1.26 -5.06 105.19 105.21 2oqs n GLY 90 Ca 0.00 0.63 -0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 0.57 -0.01 1.61 4.64 -2.03 -3.58 113.55 114.75 2oqs h SER 91 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 2oqs h SER 91 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2oqs h SER 91 CO 0.00 1.21 0.00 0.00 -0.87 0.00 0.00 176.83 177.17