#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xo3 n ALA 2 N 0.00 -1.75 -0.10 -0.43 0.00 -1.26 -4.35 120.51 112.61 1xo3 n ALA 2 Ca 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 1xo3 n ALA 2 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 1xo3 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xo3 n ALA 3 N -2.52 0.95 -0.07 0.00 0.00 -1.07 -4.83 120.51 112.97 1xo3 n ALA 3 Ca -0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 53.44 52.46 1xo3 n ALA 3 Cb 0.31 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 1xo3 n ALA 3 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xo3 h PRO 4 N -0.99 0.00 -2.73 0.00 0.13 -1.82 -3.49 132.00 123.10 1xo3 h PRO 4 Ca -0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.93 1xo3 h PRO 4 Cb 1.10 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.05 1xo3 h PRO 4 CO -0.07 0.61 -0.05 -0.48 -0.23 0.00 0.00 178.00 177.78 1xo3 s LEU 5 N -8.26 0.17 -0.04 1.56 0.05 -1.26 -5.04 118.68 105.85 1xo3 s LEU 5 Ca -0.15 0.23 0.05 0.00 0.05 0.00 0.00 54.13 54.31 1xo3 s LEU 5 Cb -0.00 1.89 -0.01 0.00 -2.05 0.00 0.00 46.19 46.02 1xo3 s LEU 5 CO 0.43 -0.61 -0.21 0.00 -0.55 0.00 0.00 176.35 175.41 1xo3 s VAL 7 N -0.14 2.82 -0.10 0.00 -7.23 -1.08 -0.79 120.40 113.88 1xo3 s VAL 7 Ca -0.01 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 1xo3 s VAL 7 Cb -0.12 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 1xo3 s VAL 7 CO 0.02 -0.08 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.77 1xo3 s LYS 8 N -2.67 2.99 -0.21 4.82 2.20 0.20 -1.84 119.74 125.23 1xo3 s LYS 8 Ca 0.22 -0.82 -0.05 0.00 -0.36 0.00 0.00 55.97 54.96 1xo3 s LYS 8 Cb -0.09 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 33.84 1xo3 s LYS 8 CO 0.12 0.27 0.01 0.08 -0.36 0.00 0.00 175.35 175.48 1xo3 s VAL 9 N 0.15 4.00 0.04 4.02 1.01 0.97 0.05 120.40 130.64 1xo3 s VAL 9 Ca -0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1xo3 s VAL 9 Cb -0.16 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1xo3 s VAL 9 CO 0.06 0.41 0.11 -0.70 0.00 0.00 0.00 175.10 174.98 1xo3 s GLU 10 N 1.17 0.62 -0.04 2.72 2.12 0.54 0.96 118.70 126.79 1xo3 s GLU 10 Ca 0.03 -0.77 0.04 0.00 0.36 0.00 0.00 54.97 54.63 1xo3 s GLU 10 Cb -0.14 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 1xo3 s GLU 10 CO 0.02 -0.16 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.37 1xo3 s PHE 11 N -2.72 2.69 0.00 5.30 0.08 -1.01 -0.80 117.98 121.52 1xo3 s PHE 11 Ca -0.04 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1xo3 s PHE 11 Cb -0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1xo3 s PHE 11 CO -0.05 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.68 1xo3 n GLY 12 N 2.23 0.00 1.22 4.36 0.00 -0.20 -4.68 105.19 108.12 1xo3 n GLY 12 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 1xo3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 13 N 0.19 2.42 2.15 -0.02 0.00 -1.02 -4.62 105.19 104.29 1xo3 n GLY 13 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1xo3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 14 N 0.32 0.47 0.15 -0.02 0.00 -1.26 -3.67 105.19 101.18 1xo3 n GLY 14 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1xo3 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xo3 h ALA 15 N 0.00 1.00 0.00 4.61 0.00 -1.83 -2.83 119.26 120.21 1xo3 h ALA 15 Ca -0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xo3 h ALA 15 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xo3 h ALA 15 CO 0.02 0.74 -0.01 1.05 0.00 0.00 0.00 179.25 181.05 1xo3 h GLU 16 N 0.03 0.00 -0.06 0.00 9.09 -1.83 -0.11 114.58 121.69 1xo3 h GLU 16 Ca -0.01 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.42 1xo3 h GLU 16 Cb 1.05 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1xo3 h GLU 16 CO 0.08 0.01 0.12 -0.07 0.05 0.00 0.00 179.01 179.21 1xo3 h LEU 17 N 0.00 0.00 -0.58 3.06 3.38 -1.81 0.54 115.31 119.90 1xo3 h LEU 17 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xo3 h LEU 17 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xo3 h LEU 17 CO 0.00 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.45 1xo3 h LEU 18 N 0.00 0.00 -3.32 1.67 3.38 -1.19 -2.81 115.31 113.04 1xo3 h LEU 18 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1xo3 h LEU 18 Cb 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1xo3 h LEU 18 CO -0.00 0.01 0.01 0.49 0.09 0.00 0.00 178.44 179.04 1xo3 n PHE 19 N -3.10 1.10 0.00 1.13 3.72 0.17 -2.73 117.46 117.75 1xo3 n PHE 19 Ca 0.03 -1.06 0.00 0.00 -0.05 0.00 0.00 57.45 56.36 1xo3 n PHE 19 Cb 0.44 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1xo3 n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xo3 n ASP 20 N -0.63 0.00 0.00 4.37 2.03 -0.77 -3.18 116.55 118.37 1xo3 n ASP 20 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1xo3 n ASP 20 Cb 0.97 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 1xo3 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xo3 n GLY 21 N -1.95 0.41 3.73 0.27 0.00 0.18 -4.81 105.19 103.03 1xo3 n GLY 21 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xo3 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xo3 s VAL 22 N 0.00 4.64 0.14 1.61 0.11 -1.19 -4.83 120.40 120.88 1xo3 s VAL 22 Ca 0.00 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 60.94 1xo3 s VAL 22 Cb 0.00 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 1xo3 s VAL 22 CO 0.00 0.31 0.00 2.29 -3.33 0.00 0.00 175.10 174.37 1xo3 n LYS 23 N 2.96 0.00 -2.79 1.54 2.85 -1.26 -4.59 118.16 116.87 1xo3 n LYS 23 Ca 0.01 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.86 1xo3 n LYS 23 Cb 0.50 -0.24 -0.04 0.00 -0.65 0.00 0.00 35.03 34.60 1xo3 n LYS 23 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1xo3 s LYS 24 N -2.00 4.60 -0.17 -1.58 2.20 -1.26 -2.41 119.74 119.12 1xo3 s LYS 24 Ca 0.00 1.34 -0.06 0.00 -0.36 0.00 0.00 55.97 56.89 1xo3 s LYS 24 Cb 0.00 -3.40 0.08 0.00 -1.51 0.00 0.00 37.83 33.00 1xo3 s LYS 24 CO 0.00 0.13 0.34 -1.58 -0.36 0.00 0.00 175.35 173.89 1xo3 s HIS 25 N 0.36 -0.62 -0.03 4.03 2.46 0.27 -4.97 115.29 116.79 1xo3 s HIS 25 Ca 0.46 1.20 -0.11 0.00 0.47 0.00 0.00 55.06 57.09 1xo3 s HIS 25 Cb -0.22 0.12 -0.05 0.00 -0.13 0.00 0.00 32.58 32.30 1xo3 s HIS 25 CO 0.27 -0.45 0.30 -1.14 -2.47 0.00 0.00 174.74 171.26 1xo3 s GLN 26 N 2.52 3.70 -0.01 2.88 0.74 -1.26 -0.02 119.66 128.20 1xo3 s GLN 26 Ca 0.01 0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.59 1xo3 s GLN 26 Cb -0.12 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 1xo3 s GLN 26 CO -0.11 0.70 -0.10 0.54 -0.55 0.00 0.00 175.29 175.77 1xo3 s VAL 27 N -1.13 0.79 -0.21 1.34 0.11 -0.76 -4.96 120.40 115.57 1xo3 s VAL 27 Ca 0.23 -0.42 -0.10 0.00 -2.93 0.00 0.00 61.98 58.76 1xo3 s VAL 27 Cb -0.14 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1xo3 s VAL 27 CO 0.11 0.23 0.14 0.00 -3.33 0.00 0.00 175.10 172.25 1xo3 s ALA 28 N -0.17 3.65 0.16 1.54 0.00 -1.26 -2.64 121.76 123.04 1xo3 s ALA 28 Ca 0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 1xo3 s ALA 28 Cb -0.05 -2.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1xo3 s ALA 28 CO -0.00 0.03 1.00 -0.51 0.00 0.00 0.00 175.76 176.28 1xo3 s LEU 29 N 0.62 4.53 0.16 0.00 2.01 -1.14 -4.91 118.68 119.95 1xo3 s LEU 29 Ca 0.08 1.93 -0.13 0.00 0.01 0.00 0.00 54.13 56.02 1xo3 s LEU 29 Cb -0.12 -3.60 0.05 0.00 0.01 0.00 0.00 46.19 42.53 1xo3 s LEU 29 CO 0.00 -0.07 1.71 -0.65 1.01 0.00 0.00 176.35 178.35 1xo3 h PRO 30 N 5.07 0.82 0.00 1.29 0.11 -1.98 -2.84 132.00 134.48 1xo3 h PRO 30 Ca -0.44 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1xo3 h PRO 30 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xo3 h PRO 30 CO 0.71 0.73 0.00 0.41 -0.21 0.00 0.00 178.00 179.64 1xo3 n GLY 31 N -0.77 3.54 4.91 -0.55 0.00 -1.26 -4.52 105.19 106.54 1xo3 n GLY 31 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1xo3 n GLY 31 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xo3 n GLN 32 N 0.00 0.00 0.15 1.61 7.27 -1.26 -4.46 117.38 120.69 1xo3 n GLN 32 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1xo3 n GLN 32 Cb 0.00 -0.02 -0.07 0.00 2.41 0.00 0.00 30.24 32.56 1xo3 n GLN 32 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1xo3 h GLU 33 N 0.00 -0.42 -6.32 3.69 5.08 -2.00 -3.48 114.58 111.13 1xo3 h GLU 33 Ca 0.00 0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 58.05 1xo3 h GLU 33 Cb 0.00 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xo3 h GLU 33 CO 0.00 -0.09 -0.86 0.39 -1.00 0.00 0.00 179.01 177.45 1xo3 n GLU 34 N -5.11 -1.65 -0.22 2.33 4.71 -1.26 -4.90 120.64 114.54 1xo3 n GLU 34 Ca -0.09 1.16 0.08 0.00 -0.01 0.00 0.00 57.16 58.30 1xo3 n GLU 34 Cb 0.27 -3.19 0.23 0.00 -1.01 0.00 0.00 31.44 27.74 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1xo3 n PRO 35 N -1.75 2.07 -1.41 3.49 -0.04 -1.26 -4.44 135.00 131.66 1xo3 n PRO 35 Ca -0.17 -1.66 -0.31 0.00 -0.04 0.00 0.00 63.50 61.32 1xo3 n PRO 35 Cb 0.64 -1.38 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1xo3 n PRO 35 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xo3 n TRP 36 N 0.85 2.47 -0.75 0.54 5.03 -1.26 -4.82 117.44 119.50 1xo3 n TRP 36 Ca 0.16 -2.41 -0.30 0.00 3.03 0.00 0.00 57.50 57.98 1xo3 n TRP 36 Cb 0.40 -1.27 0.19 0.00 -1.03 0.00 0.00 31.31 29.60 1xo3 n TRP 36 CO 0.00 0.00 0.00 0.16 -0.03 0.00 0.00 177.69 177.82 1xo3 s ASP 37 N -0.77 2.45 0.46 -0.99 1.47 -1.26 -4.73 116.67 113.31 1xo3 s ASP 37 Ca 0.53 1.86 0.16 0.00 1.18 0.00 0.00 52.55 56.28 1xo3 s ASP 37 Cb 0.41 -2.43 1.12 0.00 -0.34 0.00 0.00 42.92 41.68 1xo3 s ASP 37 CO -0.15 -3.34 2.02 0.40 0.68 0.00 0.00 175.17 174.77 1xo3 h ILE 38 N -2.03 0.90 -0.09 2.11 1.08 -1.47 -1.96 117.51 116.04 1xo3 h ILE 38 Ca -0.50 -0.09 -0.17 0.00 -0.39 0.00 0.00 64.86 63.71 1xo3 h ILE 38 Cb 1.29 0.60 0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1xo3 h ILE 38 CO 0.47 0.05 -0.60 0.08 -0.69 0.00 0.00 178.15 177.45 1xo3 h ARG 39 N 0.28 0.57 -0.32 2.37 -0.00 -0.38 -1.50 114.38 115.40 1xo3 h ARG 39 Ca 0.22 -0.49 -0.08 0.00 -0.00 0.00 0.00 59.98 59.62 1xo3 h ARG 39 Cb 0.50 0.11 -0.02 0.00 -0.00 0.00 0.00 29.97 30.56 1xo3 h ARG 39 CO -0.05 1.12 -0.15 -0.91 -0.00 0.00 0.00 179.97 179.98 1xo3 h ASN 40 N 0.19 0.56 0.51 0.08 2.35 -1.69 -2.38 115.58 115.20 1xo3 h ASN 40 Ca -0.05 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.40 1xo3 h ASN 40 Cb 1.25 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 1xo3 h ASN 40 CO 0.12 0.73 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.92 1xo3 h LEU 41 N 0.52 0.13 -1.35 1.61 -0.00 -1.35 -1.19 115.31 113.68 1xo3 h LEU 41 Ca 0.09 -0.08 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1xo3 h LEU 41 Cb 0.56 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.14 1xo3 h LEU 41 CO 0.04 0.74 0.46 0.25 -0.00 0.00 0.00 178.44 179.92 1xo3 h LEU 42 N 0.08 0.73 -0.23 1.67 6.46 -0.88 0.46 115.31 123.60 1xo3 h LEU 42 Ca -0.01 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1xo3 h LEU 42 Cb 1.14 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 1xo3 h LEU 42 CO 0.09 0.50 0.02 0.58 -0.62 0.00 0.00 178.44 179.02 1xo3 h VAL 43 N 0.85 1.24 -0.57 1.05 2.07 -0.76 0.35 116.25 120.47 1xo3 h VAL 43 Ca 0.28 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1xo3 h VAL 43 Cb 0.05 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1xo3 h VAL 43 CO -0.08 0.26 0.21 -0.25 0.02 0.00 0.00 177.57 177.73 1xo3 h TRP 44 N 0.17 0.37 0.27 1.57 2.91 -0.79 0.28 115.95 120.74 1xo3 h TRP 44 Ca 0.07 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 1xo3 h TRP 44 Cb 0.36 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 1xo3 h TRP 44 CO 0.03 0.10 -0.13 0.82 -1.03 0.00 0.00 178.44 178.23 1xo3 h ILE 45 N 0.39 0.73 0.47 2.65 2.04 -0.57 -1.56 117.51 121.66 1xo3 h ILE 45 Ca 0.28 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 1xo3 h ILE 45 Cb 0.33 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1xo3 h ILE 45 CO -0.28 0.00 -0.23 0.50 0.00 0.00 0.00 178.15 178.14 1xo3 h LYS 46 N -0.37 -0.61 0.49 2.37 3.64 0.23 0.23 116.57 122.55 1xo3 h LYS 46 Ca -0.04 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xo3 h LYS 46 Cb 0.28 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1xo3 h LYS 46 CO 0.06 -0.35 -0.24 0.87 -2.27 0.00 0.00 179.45 177.52 1xo3 h LYS 47 N -0.74 -0.64 0.00 1.90 1.79 -0.49 -3.05 116.57 115.34 1xo3 h LYS 47 Ca -0.06 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1xo3 h LYS 47 Cb 0.54 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1xo3 h LYS 47 CO 0.11 -0.35 -1.48 0.09 -1.08 0.00 0.00 179.45 176.73 1xo3 n ASN 48 N -5.31 0.54 -0.03 0.86 4.13 -0.59 -4.60 115.26 110.25 1xo3 n ASN 48 Ca -0.11 -0.50 -0.04 0.00 1.68 0.00 0.00 54.58 55.61 1xo3 n ASN 48 Cb 0.30 1.49 -0.04 0.00 -1.54 0.00 0.00 39.78 39.99 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1xo3 n LEU 49 N -1.87 0.94 -4.62 3.41 7.94 -0.30 -4.95 117.00 117.55 1xo3 n LEU 49 Ca 0.00 -0.01 -0.43 0.00 -1.11 0.00 0.00 56.01 54.46 1xo3 n LEU 49 Cb 0.44 0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.38 1xo3 n LEU 49 CO 0.44 0.30 1.49 -0.22 -1.11 0.00 0.00 177.39 178.28 1xo3 s LEU 50 N -4.75 3.73 -0.07 -1.96 1.98 0.65 -4.62 118.68 113.65 1xo3 s LEU 50 Ca -0.05 1.58 -0.22 0.00 -2.89 0.00 0.00 54.13 52.55 1xo3 s LEU 50 Cb 0.02 -3.53 -0.30 0.00 0.66 0.00 0.00 46.19 43.04 1xo3 s LEU 50 CO 0.22 -1.48 0.82 0.11 -1.89 0.00 0.00 176.35 174.13 1xo3 h LYS 51 N 11.92 0.25 0.00 1.98 1.79 -1.84 -3.48 116.57 127.19 1xo3 h LYS 51 Ca -0.35 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 57.68 1xo3 h LYS 51 Cb 1.17 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1xo3 h LYS 51 CO 1.01 1.21 0.00 -0.85 -1.08 0.00 0.00 179.45 179.73 1xo3 n GLU 52 N -4.16 3.28 -2.37 3.15 0.28 -1.24 -5.03 120.64 114.55 1xo3 n GLU 52 Ca -0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.42 1xo3 n GLU 52 Cb 0.79 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.64 1xo3 n GLU 52 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1xo3 s ARG 53 N 4.65 4.18 0.00 3.44 3.00 -1.26 -4.89 118.95 128.06 1xo3 s ARG 53 Ca 0.00 1.67 0.25 0.00 0.00 0.00 0.00 55.73 57.65 1xo3 s ARG 53 Cb 0.00 -3.81 1.13 0.00 0.00 0.00 0.00 34.95 32.27 1xo3 s ARG 53 CO 0.00 -0.79 1.82 -2.30 0.00 0.00 0.00 175.30 174.03 1xo3 n PRO 54 N 6.78 0.10 -0.07 3.54 -0.02 -1.26 -3.84 135.00 140.22 1xo3 n PRO 54 Ca 0.14 0.06 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 1xo3 n PRO 54 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 1xo3 n PRO 54 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xo3 h GLU 55 N 0.00 0.35 0.00 -0.52 5.08 -1.92 -1.44 114.58 116.13 1xo3 h GLU 55 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xo3 h GLU 55 Cb 0.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xo3 h GLU 55 CO 0.00 0.28 0.00 1.47 -1.00 0.00 0.00 179.01 179.76 1xo3 n LEU 56 N -4.87 0.00 0.00 1.33 -0.00 -1.25 -4.74 117.00 107.47 1xo3 n LEU 56 Ca -0.02 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1xo3 n LEU 56 Cb 0.05 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1xo3 n LEU 56 CO 0.34 -0.01 0.00 0.33 -0.00 0.00 0.00 177.39 178.05 1xo3 n PHE 57 N -1.33 -3.19 -1.96 1.47 7.35 -0.54 -4.99 117.46 114.26 1xo3 n PHE 57 Ca 0.12 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.51 1xo3 n PHE 57 Cb 0.25 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.09 1xo3 n PHE 57 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1xo3 s ILE 58 N -0.32 4.70 0.46 -2.13 -4.36 -1.26 -4.73 121.20 113.56 1xo3 s ILE 58 Ca 0.00 0.79 -0.23 0.00 -0.26 0.00 0.00 60.65 60.95 1xo3 s ILE 58 Cb 0.00 -3.86 -0.07 0.00 1.25 0.00 0.00 42.46 39.78 1xo3 s ILE 58 CO 0.00 -1.10 1.16 0.00 0.24 0.00 0.00 174.94 175.24 1xo3 s GLN 59 N -5.13 3.76 -1.01 0.37 1.03 -1.26 -4.71 119.66 112.71 1xo3 s GLN 59 Ca 0.54 1.77 -0.07 0.00 0.04 0.00 0.00 55.36 57.64 1xo3 s GLN 59 Cb -0.11 -2.41 -0.09 0.00 0.03 0.00 0.00 33.01 30.43 1xo3 s GLN 59 CO 0.53 -0.55 2.57 0.41 -2.54 0.00 0.00 175.29 175.71 1xo3 n GLY 60 N 0.44 3.43 1.14 2.60 0.00 -1.26 -3.13 105.19 108.41 1xo3 n GLY 60 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1xo3 n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xo3 n ASP 61 N 3.68 0.00 0.00 1.61 8.00 -1.26 -4.99 116.55 123.58 1xo3 n ASP 61 Ca 0.55 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1xo3 n ASP 61 Cb 0.27 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1xo3 n ASP 61 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xo3 n SER 62 N -2.07 0.00 -3.42 -2.24 2.88 -1.18 -3.68 113.62 103.90 1xo3 n SER 62 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1xo3 n SER 62 Cb 0.00 0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 1xo3 n SER 62 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xo3 s VAL 63 N -0.34 0.00 0.76 2.46 -7.23 -1.26 -4.84 120.40 109.96 1xo3 s VAL 63 Ca 0.00 -0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1xo3 s VAL 63 Cb 0.00 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.99 1xo3 s VAL 63 CO 0.00 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 175.91 1xo3 s ARG 64 N -3.75 2.38 0.62 4.82 1.70 -1.26 -4.24 118.95 119.23 1xo3 s ARG 64 Ca 0.01 0.40 0.32 0.00 -0.47 0.00 0.00 55.73 55.99 1xo3 s ARG 64 Cb -0.01 -1.97 1.78 0.00 -0.57 0.00 0.00 34.95 34.18 1xo3 s ARG 64 CO -0.13 -1.36 2.09 -1.35 -1.08 0.00 0.00 175.30 173.47 1xo3 h PRO 65 N -0.89 0.00 0.54 3.89 0.11 -2.01 -2.75 132.00 130.89 1xo3 h PRO 65 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1xo3 h PRO 65 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1xo3 h PRO 65 CO 0.63 0.00 -0.26 0.78 -0.21 0.00 0.00 178.00 178.94 1xo3 h GLY 66 N 0.00 -0.76 -5.33 -0.55 0.00 -1.96 -3.43 103.07 91.05 1xo3 h GLY 66 Ca 0.06 0.28 -0.62 0.00 0.00 0.00 0.00 47.33 47.05 1xo3 h GLY 66 CO -0.00 -0.28 -0.29 -0.42 0.00 0.00 0.00 176.54 175.55 1xo3 s ILE 67 N -4.50 5.20 0.16 2.60 1.01 -1.04 -0.63 121.20 124.01 1xo3 s ILE 67 Ca -0.11 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.20 1xo3 s ILE 67 Cb 0.01 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1xo3 s ILE 67 CO 0.32 0.55 0.27 -0.76 0.00 0.00 0.00 174.94 175.33 1xo3 s LEU 68 N -0.78 4.29 -0.11 2.97 1.43 0.16 -4.11 118.68 122.53 1xo3 s LEU 68 Ca 0.20 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1xo3 s LEU 68 Cb -0.15 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1xo3 s LEU 68 CO 0.09 0.05 -0.22 -0.69 0.23 0.00 0.00 176.35 175.81 1xo3 s VAL 69 N -1.76 2.17 -0.32 -1.59 1.01 -1.26 0.59 120.40 119.24 1xo3 s VAL 69 Ca 0.34 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1xo3 s VAL 69 Cb -0.11 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1xo3 s VAL 69 CO 0.28 0.55 0.66 -0.76 0.00 0.00 0.00 175.10 175.84 1xo3 s LEU 70 N 0.45 4.16 -0.50 3.92 1.43 0.49 -1.73 118.68 126.90 1xo3 s LEU 70 Ca -0.16 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.13 1xo3 s LEU 70 Cb -0.17 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.23 1xo3 s LEU 70 CO 0.06 -0.54 0.80 -0.63 0.23 0.00 0.00 176.35 176.28 1xo3 s ILE 71 N 2.71 4.61 0.00 -0.59 -1.09 0.12 -1.88 121.20 125.07 1xo3 s ILE 71 Ca 0.26 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 1xo3 s ILE 71 Cb -0.15 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1xo3 s ILE 71 CO 0.13 -0.90 0.00 -3.20 -1.23 0.00 0.00 174.94 169.74 1xo3 n ASN 72 N 6.86 0.00 0.00 3.58 2.85 -0.74 -1.72 115.26 126.10 1xo3 n ASN 72 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1xo3 n ASN 72 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1xo3 n ASP 73 N 2.83 0.00 -4.10 1.20 2.03 -1.25 -2.88 116.55 114.38 1xo3 n ASP 73 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1xo3 n ASP 73 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1xo3 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xo3 s ALA 74 N 0.00 2.00 -0.25 -1.67 0.00 -0.70 -4.99 121.76 116.16 1xo3 s ALA 74 Ca 0.00 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 49.93 1xo3 s ALA 74 Cb 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1xo3 s ALA 74 CO 0.00 -0.47 2.09 -0.51 0.00 0.00 0.00 175.76 176.86 1xo3 s ASP 75 N -3.38 5.60 0.19 0.00 1.01 -1.26 0.12 116.67 118.95 1xo3 s ASP 75 Ca 0.35 1.72 -0.15 0.00 0.71 0.00 0.00 52.55 55.19 1xo3 s ASP 75 Cb 0.06 -2.52 0.17 0.00 1.01 0.00 0.00 42.92 41.64 1xo3 s ASP 75 CO 0.16 -1.87 1.65 4.11 0.21 0.00 0.00 175.17 179.43 1xo3 h TRP 76 N 14.33 -0.25 -0.31 4.23 0.09 -1.67 -2.70 115.95 129.66 1xo3 h TRP 76 Ca -0.39 0.05 -0.02 0.00 0.09 0.00 0.00 58.89 58.62 1xo3 h TRP 76 Cb 1.22 0.19 -0.02 0.00 0.08 0.00 0.00 29.16 30.63 1xo3 h TRP 76 CO 0.94 -0.21 0.11 1.05 0.09 0.00 0.00 178.44 180.42 1xo3 h GLU 77 N 0.01 0.44 -0.00 0.12 4.11 -1.90 0.77 114.58 118.13 1xo3 h GLU 77 Ca 0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1xo3 h GLU 77 Cb 0.38 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xo3 h GLU 77 CO -0.52 0.38 -0.25 1.28 0.07 0.00 0.00 179.01 179.96 1xo3 n LEU 78 N -4.40 0.25 -0.07 3.06 4.77 -1.04 -3.95 117.00 115.63 1xo3 n LEU 78 Ca 0.02 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1xo3 n LEU 78 Cb 0.14 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.74 1xo3 n LEU 78 CO 0.36 0.06 -0.98 0.18 -1.33 0.00 0.00 177.39 175.68 1xo3 n LEU 79 N -1.49 0.05 0.00 2.23 4.32 0.06 -5.01 117.00 117.15 1xo3 n LEU 79 Ca 0.06 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1xo3 n LEU 79 Cb 0.34 0.35 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1xo3 n LEU 79 CO 0.31 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.46 1xo3 n GLY 80 N 2.10 0.98 7.00 -0.72 0.00 -0.02 -5.05 105.19 109.47 1xo3 n GLY 80 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xo3 n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xo3 n GLU 81 N 0.00 0.00 -0.36 1.61 0.28 -0.35 -3.37 120.64 118.44 1xo3 n GLU 81 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1xo3 n GLU 81 Cb 0.00 0.00 0.05 0.00 1.43 0.00 0.00 31.44 32.92 1xo3 n GLU 81 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 1xo3 h LEU 82 N 0.00 -1.33 -3.17 -1.84 -0.00 -1.89 -0.15 115.31 106.93 1xo3 h LEU 82 Ca 0.00 0.30 -0.24 0.00 -0.00 0.00 0.00 57.88 57.94 1xo3 h LEU 82 Cb 0.00 0.72 -0.14 0.00 -0.00 0.00 0.00 40.66 41.24 1xo3 h LEU 82 CO 0.00 -0.30 0.30 -0.90 -0.00 0.00 0.00 178.44 177.55 1xo3 n ASP 83 N -5.49 3.76 -4.73 0.17 5.68 -1.22 0.14 116.55 114.86 1xo3 n ASP 83 Ca 0.11 -2.95 -0.42 0.00 -0.50 0.00 0.00 54.79 51.03 1xo3 n ASP 83 Cb 0.41 -0.70 -0.02 0.00 -1.14 0.00 0.00 41.12 39.67 1xo3 n ASP 83 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1xo3 n TYR 84 N -0.28 2.79 0.77 2.11 4.01 -0.07 -4.87 117.16 121.63 1xo3 n TYR 84 Ca 0.34 0.18 0.02 0.00 -0.16 0.00 0.00 57.90 58.27 1xo3 n TYR 84 Cb 1.17 -2.62 0.09 0.00 -0.31 0.00 0.00 39.34 37.67 1xo3 n TYR 84 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xo3 n GLN 85 N 2.87 1.76 -1.63 -0.72 -0.00 -1.26 -4.06 117.38 114.34 1xo3 n GLN 85 Ca 0.12 -0.67 0.00 0.00 -0.00 0.00 0.00 57.00 56.44 1xo3 n GLN 85 Cb 0.36 -1.55 0.00 0.00 -0.00 0.00 0.00 30.24 29.04 1xo3 n GLN 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1xo3 n LEU 86 N 0.10 -2.22 0.00 2.61 7.99 -1.26 -4.88 117.00 119.35 1xo3 n LEU 86 Ca 0.06 3.13 0.00 0.00 -0.01 0.00 0.00 56.01 59.18 1xo3 n LEU 86 Cb 0.39 -3.12 0.00 0.00 -0.11 0.00 0.00 43.42 40.58 1xo3 n LEU 86 CO 0.06 0.32 0.00 0.00 -1.51 0.00 0.00 177.39 176.26 1xo3 n GLN 87 N -1.08 0.00 0.00 3.23 3.00 -1.26 -5.10 117.38 116.17 1xo3 n GLN 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xo3 n GLN 87 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.29 1xo3 n GLN 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1xo3 n ASP 88 N -1.25 0.00 -2.38 1.08 5.75 -1.26 -4.82 116.55 113.67 1xo3 n ASP 88 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.61 1xo3 n ASP 88 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1xo3 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xo3 n GLN 89 N -0.02 -1.91 -1.67 0.11 1.13 0.03 -4.83 117.38 110.23 1xo3 n GLN 89 Ca 0.00 0.83 -0.42 0.00 -1.94 0.00 0.00 57.00 55.47 1xo3 n GLN 89 Cb 0.00 -5.45 -0.03 0.00 0.11 0.00 0.00 30.24 24.87 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xo3 s ASP 90 N -2.06 6.39 -0.74 1.08 1.01 -1.21 -4.80 116.67 116.33 1xo3 s ASP 90 Ca 0.00 2.62 -0.19 0.00 0.71 0.00 0.00 52.55 55.69 1xo3 s ASP 90 Cb 0.00 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.52 1xo3 s ASP 90 CO 0.00 -1.11 0.92 -0.55 0.21 0.00 0.00 175.17 174.63 1xo3 s SER 91 N 4.68 6.38 -0.50 0.27 0.15 -1.14 0.58 113.70 124.13 1xo3 s SER 91 Ca 0.89 -1.65 -0.20 0.00 0.70 0.00 0.00 55.95 55.69 1xo3 s SER 91 Cb -0.42 -2.35 0.05 0.00 -1.71 0.00 0.00 66.02 61.58 1xo3 s SER 91 CO 0.41 -1.13 0.66 -0.63 1.20 0.00 0.00 173.24 173.76 1xo3 s ILE 92 N 2.78 4.81 -0.14 6.45 -1.09 0.11 -1.79 121.20 132.33 1xo3 s ILE 92 Ca 0.22 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1xo3 s ILE 92 Cb -0.15 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1xo3 s ILE 92 CO 0.00 -0.79 -0.22 -0.22 -1.23 0.00 0.00 174.94 172.49 1xo3 s LEU 93 N 2.82 2.12 -0.34 2.97 0.20 -0.79 -0.34 118.68 125.32 1xo3 s LEU 93 Ca 0.18 -0.60 -0.21 0.00 0.69 0.00 0.00 54.13 54.20 1xo3 s LEU 93 Cb -0.17 -1.45 -0.00 0.00 -0.43 0.00 0.00 46.19 44.14 1xo3 s LEU 93 CO 0.14 0.08 0.64 -0.36 -0.29 0.00 0.00 176.35 176.57 1xo3 s PHE 94 N 0.82 3.17 -0.30 5.38 0.40 0.02 -0.38 117.98 127.10 1xo3 s PHE 94 Ca -0.07 0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 1xo3 s PHE 94 Cb -0.15 -3.12 0.07 0.00 0.51 0.00 0.00 43.02 40.33 1xo3 s PHE 94 CO -0.02 -0.59 -0.02 0.42 0.70 0.00 0.00 175.22 175.71 1xo3 s ILE 95 N 2.71 2.56 0.08 0.64 -1.09 0.20 -1.03 121.20 125.27 1xo3 s ILE 95 Ca 0.25 -1.70 -0.31 0.00 -2.23 0.00 0.00 60.65 56.66 1xo3 s ILE 95 Cb -0.14 -2.58 -0.08 0.00 -1.58 0.00 0.00 42.46 38.07 1xo3 s ILE 95 CO 0.14 -0.20 1.60 -0.55 -1.23 0.00 0.00 174.94 174.70 1xo3 s SER 96 N 1.18 6.63 0.00 3.58 0.15 -1.24 0.39 113.70 124.40 1xo3 s SER 96 Ca -0.03 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.09 1xo3 s SER 96 Cb -0.20 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1xo3 s SER 96 CO -0.04 -0.85 0.00 1.07 1.20 0.00 0.00 173.24 174.63 1xo3 n THR 97 N 4.53 0.00 -1.31 6.45 5.66 0.20 -4.74 114.28 125.06 1xo3 n THR 97 Ca 0.15 -0.34 -0.32 0.00 -3.05 0.00 0.00 64.05 60.49 1xo3 n THR 97 Cb 0.40 1.00 0.09 0.00 -1.55 0.00 0.00 70.33 70.28 1xo3 n THR 97 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1xo3 s LEU 98 N -1.34 3.13 -0.37 1.09 2.34 -0.60 -4.98 118.68 117.96 1xo3 s LEU 98 Ca 0.00 2.01 -0.16 0.00 0.06 0.00 0.00 54.13 56.04 1xo3 s LEU 98 Cb 0.00 -4.55 0.00 0.00 -0.56 0.00 0.00 46.19 41.08 1xo3 s LEU 98 CO 0.00 -2.15 0.41 -1.00 -1.06 0.00 0.00 176.35 172.54 1xo3 s HIS 99 N -2.59 3.19 0.00 3.48 3.76 -1.26 -4.98 115.29 116.89 1xo3 s HIS 99 Ca 0.65 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 1xo3 s HIS 99 Cb -0.21 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.70 1xo3 s HIS 99 CO 0.51 -0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.27 1xo3 n GLY 100 N 4.99 -0.14 0.00 -2.22 0.00 -1.26 -5.21 105.19 101.34 1xo3 n GLY 100 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93