#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xo3 s ALA 2 N 0.00 3.42 0.17 -0.43 0.00 -1.26 -4.92 121.76 118.73 1xo3 s ALA 2 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 1xo3 s ALA 2 Cb 0.00 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1xo3 s ALA 2 CO 0.00 -1.56 1.74 0.00 0.00 0.00 0.00 175.76 175.94 1xo3 h ALA 3 N 8.47 0.76 -3.00 0.00 0.00 -1.96 -3.37 119.26 120.16 1xo3 h ALA 3 Ca -0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xo3 h ALA 3 Cb 1.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xo3 h ALA 3 CO 0.96 0.35 0.00 -0.35 0.00 0.00 0.00 179.25 180.21 1xo3 n PRO 4 N -4.51 0.00 -3.90 0.00 -0.04 -1.26 -4.99 135.00 120.30 1xo3 n PRO 4 Ca 0.03 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1xo3 n PRO 4 Cb 0.14 -0.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.89 1xo3 n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xo3 s LEU 5 N -0.24 1.72 -0.13 1.53 1.43 -1.26 -4.93 118.68 116.79 1xo3 s LEU 5 Ca 0.00 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1xo3 s LEU 5 Cb 0.00 0.59 0.01 0.00 0.03 0.00 0.00 46.19 46.82 1xo3 s LEU 5 CO 0.00 -0.41 -0.20 0.00 0.23 0.00 0.00 176.35 175.96 1xo3 s VAL 7 N 0.84 1.96 -0.11 0.00 -7.23 -0.88 -0.18 120.40 114.79 1xo3 s VAL 7 Ca -0.07 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1xo3 s VAL 7 Cb -0.15 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 1xo3 s VAL 7 CO -0.02 -0.28 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.53 1xo3 s LYS 8 N -2.79 3.10 -0.15 4.82 2.20 0.67 -1.84 119.74 125.74 1xo3 s LYS 8 Ca 0.17 -0.85 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 1xo3 s LYS 8 Cb -0.06 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.87 1xo3 s LYS 8 CO 0.08 0.17 -0.02 0.08 -0.36 0.00 0.00 175.35 175.29 1xo3 s VAL 9 N 0.39 4.08 0.06 4.02 1.01 -0.21 0.78 120.40 130.53 1xo3 s VAL 9 Ca -0.17 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1xo3 s VAL 9 Cb -0.17 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1xo3 s VAL 9 CO 0.08 0.50 0.15 -0.70 0.00 0.00 0.00 175.10 175.12 1xo3 s GLU 10 N 0.24 0.71 0.48 2.72 2.12 -0.24 0.11 118.70 124.85 1xo3 s GLU 10 Ca -0.01 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.36 1xo3 s GLU 10 Cb -0.14 0.29 -0.07 0.00 0.26 0.00 0.00 34.13 34.47 1xo3 s GLU 10 CO 0.02 -0.20 0.90 -0.59 -0.54 0.00 0.00 175.26 174.85 1xo3 s PHE 11 N -3.15 3.48 0.12 5.30 -0.71 -0.93 -1.85 117.98 120.24 1xo3 s PHE 11 Ca -0.00 1.26 0.00 0.00 -1.04 0.00 0.00 56.93 57.15 1xo3 s PHE 11 Cb 0.02 -2.63 0.00 0.00 -1.21 0.00 0.00 43.02 39.20 1xo3 s PHE 11 CO -0.07 -0.29 0.00 0.41 -1.34 0.00 0.00 175.22 173.93 1xo3 n GLY 12 N -1.59 -0.20 2.34 1.99 0.00 0.12 -4.76 105.19 103.09 1xo3 n GLY 12 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 1.91 4.38 2.38 -0.02 0.00 -1.13 -4.51 105.19 108.20 1xo3 n GLY 13 Ca 0.00 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 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 2.34 1.07 0.23 -0.02 0.00 -1.26 -3.78 105.19 103.76 1xo3 n GLY 14 Ca 0.63 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 0.16 1.21 0.00 4.61 0.00 -1.83 -2.83 119.26 120.58 1xo3 h ALA 15 Ca -0.30 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1xo3 h ALA 15 Cb 1.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1xo3 h ALA 15 CO 0.42 0.29 -0.30 1.05 0.00 0.00 0.00 179.25 180.71 1xo3 h GLU 16 N 0.00 0.00 0.00 0.00 4.11 -1.90 -2.04 114.58 114.75 1xo3 h GLU 16 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xo3 h GLU 16 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1xo3 h GLU 16 CO 0.03 0.30 0.00 1.28 0.07 0.00 0.00 179.01 180.70 1xo3 n LEU 17 N -3.98 0.60 0.17 3.06 4.77 -1.07 0.17 117.00 120.72 1xo3 n LEU 17 Ca -0.02 0.68 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 1xo3 n LEU 17 Cb 0.37 -0.64 0.10 0.00 -2.33 0.00 0.00 43.42 40.92 1xo3 n LEU 17 CO 0.37 -0.65 0.61 -0.07 -1.33 0.00 0.00 177.39 176.31 1xo3 h LEU 18 N 0.00 0.00 -3.06 2.23 3.38 -1.54 -3.28 115.31 113.05 1xo3 h LEU 18 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xo3 h LEU 18 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xo3 h LEU 18 CO 0.00 0.31 0.00 0.49 0.09 0.00 0.00 178.44 179.33 1xo3 n PHE 19 N -3.19 0.77 0.00 1.13 3.72 0.13 -1.13 117.46 118.89 1xo3 n PHE 19 Ca 0.03 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 1xo3 n PHE 19 Cb 0.65 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.19 0.00 0.00 4.37 2.03 -0.64 -3.65 116.55 118.84 1xo3 n ASP 20 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1xo3 n ASP 20 Cb 0.66 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 -2.00 0.58 3.53 0.27 0.00 0.66 -4.88 105.19 103.35 1xo3 n GLY 21 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1xo3 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xo3 s VAL 22 N -0.96 4.76 0.00 1.61 1.01 -1.21 -5.00 120.40 120.61 1xo3 s VAL 22 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1xo3 s VAL 22 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1xo3 s VAL 22 CO 0.00 0.32 0.00 0.29 0.00 0.00 0.00 175.10 175.71 1xo3 n LYS 23 N 4.79 0.00 -2.87 2.72 5.02 -1.26 -4.21 118.16 122.36 1xo3 n LYS 23 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.73 1xo3 n LYS 23 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.49 1xo3 n LYS 23 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xo3 s LYS 24 N 0.00 4.46 -0.16 1.97 2.20 -1.26 -2.18 119.74 124.76 1xo3 s LYS 24 Ca 0.00 1.13 -0.01 0.00 -0.36 0.00 0.00 55.97 56.73 1xo3 s LYS 24 Cb 0.00 -3.48 0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1xo3 s LYS 24 CO 0.00 -0.07 -0.03 -1.58 -0.36 0.00 0.00 175.35 173.30 1xo3 s HIS 25 N 1.20 1.52 0.03 4.03 2.46 0.30 -4.97 115.29 119.86 1xo3 s HIS 25 Ca 0.44 -0.98 -0.25 0.00 0.47 0.00 0.00 55.06 54.74 1xo3 s HIS 25 Cb -0.19 -1.23 -0.05 0.00 -0.13 0.00 0.00 32.58 30.98 1xo3 s HIS 25 CO 0.21 -0.59 0.75 -1.14 -2.47 0.00 0.00 174.74 171.50 1xo3 s GLN 26 N 1.69 4.48 -0.05 2.88 0.74 -1.26 -1.04 119.66 127.10 1xo3 s GLN 26 Ca 0.01 1.03 -0.01 0.00 0.05 0.00 0.00 55.36 56.44 1xo3 s GLN 26 Cb -0.15 -3.37 0.03 0.00 1.10 0.00 0.00 33.01 30.61 1xo3 s GLN 26 CO -0.07 0.26 0.00 0.54 -0.55 0.00 0.00 175.29 175.47 1xo3 s VAL 27 N 0.04 0.30 -0.12 1.34 0.11 -0.76 -4.97 120.40 116.34 1xo3 s VAL 27 Ca 0.38 0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 59.50 1xo3 s VAL 27 Cb -0.20 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1xo3 s VAL 27 CO 0.22 0.22 0.05 0.00 -3.33 0.00 0.00 175.10 172.26 1xo3 s ALA 28 N 1.59 3.46 0.48 1.54 0.00 -1.26 -2.08 121.76 125.49 1xo3 s ALA 28 Ca -0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 50.99 1xo3 s ALA 28 Cb -0.13 -1.70 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1xo3 s ALA 28 CO -0.03 0.51 1.07 -0.51 0.00 0.00 0.00 175.76 176.79 1xo3 s LEU 29 N -0.65 3.90 0.51 0.00 1.43 -0.29 -4.91 118.68 118.67 1xo3 s LEU 29 Ca 0.11 2.03 -0.13 0.00 -1.03 0.00 0.00 54.13 55.11 1xo3 s LEU 29 Cb -0.12 -4.46 -0.06 0.00 0.03 0.00 0.00 46.19 41.58 1xo3 s LEU 29 CO 0.02 -0.81 0.94 -2.84 0.23 0.00 0.00 176.35 173.89 1xo3 s PRO 30 N -3.05 3.80 -1.10 1.29 0.02 -1.26 -4.57 135.00 130.14 1xo3 s PRO 30 Ca 0.66 0.75 -0.07 0.00 0.02 0.00 0.00 61.00 62.36 1xo3 s PRO 30 Cb -0.20 -2.19 0.29 0.00 0.02 0.00 0.00 34.50 32.42 1xo3 s PRO 30 CO 0.24 -0.28 1.26 0.41 -0.33 0.00 0.00 177.00 178.29 1xo3 n GLY 31 N -1.83 4.59 0.33 0.52 0.00 -1.26 -4.33 105.19 103.20 1xo3 n GLY 31 Ca 0.05 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.45 1xo3 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLN 32 N 2.15 0.00 -3.46 1.61 10.64 -1.26 -5.08 117.38 121.98 1xo3 n GLN 32 Ca 0.25 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.38 1xo3 n GLN 32 Cb 0.37 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.69 1xo3 n GLN 32 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1xo3 s GLU 33 N -2.00 0.44 -0.61 2.61 2.12 -1.26 -5.12 118.70 114.88 1xo3 s GLU 33 Ca 0.00 0.99 -0.23 0.00 0.36 0.00 0.00 54.97 56.09 1xo3 s GLU 33 Cb 0.00 0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.74 1xo3 s GLU 33 CO 0.00 -0.43 0.92 -1.21 -0.54 0.00 0.00 175.26 174.00 1xo3 s GLU 34 N 2.71 3.18 -0.12 4.30 8.01 -1.26 -4.71 118.70 130.81 1xo3 s GLU 34 Ca 0.06 -0.67 0.13 0.00 0.01 0.00 0.00 54.97 54.50 1xo3 s GLU 34 Cb -0.14 -4.16 0.59 0.00 -4.31 0.00 0.00 34.13 26.11 1xo3 s GLU 34 CO -0.17 -1.65 1.45 -0.35 0.01 0.00 0.00 175.26 174.55 1xo3 n PRO 35 N 7.44 3.41 -0.84 0.39 -0.04 -1.26 -4.31 135.00 139.79 1xo3 n PRO 35 Ca -0.03 -2.29 -0.14 0.00 -0.04 0.00 0.00 63.50 61.01 1xo3 n PRO 35 Cb 0.46 -1.86 0.16 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.73 2.09 -1.04 0.54 5.03 -1.26 -4.67 117.44 118.86 1xo3 n TRP 36 Ca 0.21 -1.31 -0.33 0.00 3.03 0.00 0.00 57.50 59.09 1xo3 n TRP 36 Cb 0.80 -0.69 0.12 0.00 -1.03 0.00 0.00 31.31 30.51 1xo3 n TRP 36 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1xo3 n ASP 37 N -0.50 0.26 -0.25 -0.99 9.92 -1.26 -4.64 116.55 119.10 1xo3 n ASP 37 Ca 0.39 0.54 0.12 0.00 -0.53 0.00 0.00 54.79 55.31 1xo3 n ASP 37 Cb 1.28 -1.43 0.40 0.00 -0.64 0.00 0.00 41.12 40.73 1xo3 n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1xo3 h ILE 38 N -1.03 0.83 -0.33 0.53 1.08 -1.65 0.38 117.51 117.31 1xo3 h ILE 38 Ca -0.45 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 63.85 1xo3 h ILE 38 Cb 1.30 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 1xo3 h ILE 38 CO 0.43 0.12 0.02 -0.09 -0.69 0.00 0.00 178.15 177.94 1xo3 h ARG 39 N 0.65 0.12 -0.12 2.37 1.12 -0.77 -0.26 114.38 117.49 1xo3 h ARG 39 Ca 0.43 -0.01 -0.20 0.00 -1.11 0.00 0.00 59.98 59.09 1xo3 h ARG 39 Cb 0.73 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.67 1xo3 h ARG 39 CO -0.19 0.08 -0.74 -0.91 -3.11 0.00 0.00 179.97 175.09 1xo3 h ASN 40 N 0.12 0.72 0.26 -3.80 2.35 -1.23 -2.88 115.58 111.10 1xo3 h ASN 40 Ca 0.16 -0.46 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 1xo3 h ASN 40 Cb 0.21 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1xo3 h ASN 40 CO -0.25 1.23 -0.44 -0.07 -1.65 0.00 0.00 177.43 176.25 1xo3 h LEU 41 N 0.42 0.25 -1.17 1.61 -0.00 -1.15 -1.10 115.31 114.15 1xo3 h LEU 41 Ca -0.04 -0.11 0.03 0.00 -0.00 0.00 0.00 57.88 57.76 1xo3 h LEU 41 Cb 1.34 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.89 1xo3 h LEU 41 CO 0.14 0.66 0.57 0.25 -0.00 0.00 0.00 178.44 180.06 1xo3 h LEU 42 N 0.19 0.94 -0.20 1.67 6.46 -0.93 0.13 115.31 123.57 1xo3 h LEU 42 Ca 0.01 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1xo3 h LEU 42 Cb 0.86 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1xo3 h LEU 42 CO 0.07 0.66 -0.06 0.58 -0.62 0.00 0.00 178.44 179.06 1xo3 h VAL 43 N 1.10 1.29 -0.69 1.05 2.07 -1.08 0.22 116.25 120.20 1xo3 h VAL 43 Ca 0.33 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.87 1xo3 h VAL 43 Cb -0.02 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1xo3 h VAL 43 CO -0.09 0.32 0.36 -0.25 0.02 0.00 0.00 177.57 177.93 1xo3 h TRP 44 N 0.11 0.66 -0.27 1.57 2.91 -0.71 0.36 115.95 120.57 1xo3 h TRP 44 Ca 0.05 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.99 1xo3 h TRP 44 Cb 0.52 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 1xo3 h TRP 44 CO 0.06 0.27 -0.25 0.82 -1.03 0.00 0.00 178.44 178.31 1xo3 h ILE 45 N 0.64 1.31 0.47 2.65 2.04 -0.59 -2.37 117.51 121.65 1xo3 h ILE 45 Ca 0.33 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1xo3 h ILE 45 Cb 0.29 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1xo3 h ILE 45 CO -0.23 0.45 -0.23 0.50 0.00 0.00 0.00 178.15 178.64 1xo3 h LYS 46 N 0.37 -0.61 0.00 2.37 3.64 0.02 0.21 116.57 122.57 1xo3 h LYS 46 Ca 0.05 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1xo3 h LYS 46 Cb 0.81 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1xo3 h LYS 46 CO 0.06 -0.30 -0.26 0.87 -2.27 0.00 0.00 179.45 177.54 1xo3 h LYS 47 N -0.90 0.00 0.00 1.90 1.79 -0.38 -3.07 116.57 115.91 1xo3 h LYS 47 Ca -0.06 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 1xo3 h LYS 47 Cb 0.58 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1xo3 h LYS 47 CO 0.11 0.26 -1.37 0.09 -1.08 0.00 0.00 179.45 177.46 1xo3 n ASN 48 N -3.40 0.83 0.04 0.86 3.02 -0.89 -4.81 115.26 110.91 1xo3 n ASN 48 Ca 0.00 0.14 -0.19 0.00 -0.03 0.00 0.00 54.58 54.50 1xo3 n ASN 48 Cb 0.47 -0.33 -0.09 0.00 -0.61 0.00 0.00 39.78 39.22 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xo3 h LEU 49 N -0.37 0.85 -8.88 3.41 3.38 -1.07 -3.43 115.31 109.20 1xo3 h LEU 49 Ca -0.22 -0.67 -0.58 0.00 0.09 0.00 0.00 57.88 56.51 1xo3 h LEU 49 Cb 1.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1xo3 h LEU 49 CO -0.13 1.47 1.27 -0.22 0.09 0.00 0.00 178.44 180.91 1xo3 s LEU 50 N -8.08 3.53 0.03 1.67 1.98 -0.27 -3.97 118.68 113.57 1xo3 s LEU 50 Ca -0.09 1.34 0.19 0.00 -2.89 0.00 0.00 54.13 52.68 1xo3 s LEU 50 Cb 0.07 -3.53 -0.18 0.00 0.66 0.00 0.00 46.19 43.22 1xo3 s LEU 50 CO 0.91 -1.67 0.66 0.29 -1.89 0.00 0.00 176.35 174.65 1xo3 n LYS 51 N 8.38 0.64 0.00 1.98 4.76 -0.28 -4.87 118.16 128.76 1xo3 n LYS 51 Ca 0.23 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1xo3 n LYS 51 Cb 0.47 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1xo3 n LYS 51 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1xo3 n GLU 52 N -2.66 0.00 -3.90 1.97 0.28 -1.26 -5.04 120.64 110.03 1xo3 n GLU 52 Ca -0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.60 1xo3 n GLU 52 Cb 0.76 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.48 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 0.46 1.40 0.24 3.44 1.81 -1.26 -4.98 118.95 120.05 1xo3 s ARG 53 Ca 0.00 -0.97 0.20 0.00 -1.72 0.00 0.00 55.73 53.24 1xo3 s ARG 53 Cb 0.00 -2.51 0.94 0.00 -0.45 0.00 0.00 34.95 32.93 1xo3 s ARG 53 CO 0.00 -0.66 1.60 -2.30 -0.68 0.00 0.00 175.30 173.26 1xo3 n PRO 54 N 4.71 0.14 0.13 3.54 -0.02 -1.26 -1.55 135.00 140.69 1xo3 n PRO 54 Ca -0.10 0.51 -0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1xo3 n PRO 54 Cb 0.44 -1.84 0.10 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.00 -0.18 -0.52 4.39 -1.94 -2.24 114.58 114.10 1xo3 h GLU 55 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xo3 h GLU 55 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1xo3 h GLU 55 CO 0.00 0.64 0.00 1.28 -1.16 0.00 0.00 179.01 179.77 1xo3 n LEU 56 N -3.49 0.97 0.00 1.33 7.99 -0.60 -4.80 117.00 118.40 1xo3 n LEU 56 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 56.01 55.52 1xo3 n LEU 56 Cb 0.70 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1xo3 n LEU 56 CO 0.42 0.24 0.00 0.33 -1.51 0.00 0.00 177.39 176.87 1xo3 n PHE 57 N 0.01 0.00 -1.72 -1.77 7.35 -0.84 -5.07 117.46 115.42 1xo3 n PHE 57 Ca 0.07 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.45 1xo3 n PHE 57 Cb 0.16 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.02 1xo3 n PHE 57 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1xo3 s ILE 58 N -0.16 4.33 0.51 -2.13 -1.09 -1.25 -4.67 121.20 116.75 1xo3 s ILE 58 Ca 0.00 0.76 -0.20 0.00 -2.23 0.00 0.00 60.65 58.97 1xo3 s ILE 58 Cb 0.00 -3.63 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1xo3 s ILE 58 CO 0.00 -0.99 1.12 0.00 -1.23 0.00 0.00 174.94 173.84 1xo3 s GLN 59 N -5.12 3.52 0.00 2.79 -2.07 -1.26 -4.84 119.66 112.68 1xo3 s GLN 59 Ca 0.57 1.60 -0.02 0.00 -1.82 0.00 0.00 55.36 55.68 1xo3 s GLN 59 Cb -0.12 -2.11 -0.11 0.00 -1.09 0.00 0.00 33.01 29.57 1xo3 s GLN 59 CO 0.54 -0.71 1.81 0.41 -1.32 0.00 0.00 175.29 176.02 1xo3 n GLY 60 N 0.16 1.85 1.25 2.60 0.00 -1.26 -3.71 105.19 106.08 1xo3 n GLY 60 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 2.71 0.00 0.00 1.61 8.00 -1.26 -5.04 116.55 122.57 1xo3 n ASP 61 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1xo3 n ASP 61 Cb 0.39 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1xo3 n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xo3 n SER 62 N -1.94 0.00 -3.74 -2.24 3.41 -1.24 -3.91 113.62 103.96 1xo3 n SER 62 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1xo3 n SER 62 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1xo3 n SER 62 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xo3 s VAL 63 N -0.92 0.05 0.36 -3.33 -7.23 -1.26 -4.79 120.40 103.28 1xo3 s VAL 63 Ca 0.00 -0.38 -0.25 0.00 -1.81 0.00 0.00 61.98 59.54 1xo3 s VAL 63 Cb 0.00 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 36.21 1xo3 s VAL 63 CO 0.00 -0.21 1.01 0.00 -0.31 0.00 0.00 175.10 175.59 1xo3 s ARG 64 N -1.13 4.36 0.60 4.82 1.70 -1.26 -4.51 118.95 123.52 1xo3 s ARG 64 Ca -0.12 1.44 0.28 0.00 -0.47 0.00 0.00 55.73 56.86 1xo3 s ARG 64 Cb -0.04 -2.66 1.26 0.00 -0.57 0.00 0.00 34.95 32.93 1xo3 s ARG 64 CO 0.04 0.05 1.65 -1.35 -1.08 0.00 0.00 175.30 174.61 1xo3 h PRO 65 N 2.80 0.00 -0.11 3.89 0.11 -2.00 0.16 132.00 136.84 1xo3 h PRO 65 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1xo3 h PRO 65 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xo3 h PRO 65 CO 0.63 0.00 -0.27 0.78 -0.21 0.00 0.00 178.00 178.93 1xo3 h GLY 66 N 0.00 0.21 -5.60 -0.55 0.00 -1.97 -3.42 103.07 91.74 1xo3 h GLY 66 Ca 0.32 -0.16 -0.65 0.00 0.00 0.00 0.00 47.33 46.84 1xo3 h GLY 66 CO -0.00 0.15 -0.68 -0.42 0.00 0.00 0.00 176.54 175.58 1xo3 s ILE 67 N -4.43 3.79 -0.12 2.60 1.01 0.55 -0.66 121.20 123.93 1xo3 s ILE 67 Ca -0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1xo3 s ILE 67 Cb 0.15 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1xo3 s ILE 67 CO 0.74 0.53 0.07 -0.76 0.00 0.00 0.00 174.94 175.53 1xo3 s LEU 68 N -0.03 3.96 -0.13 2.97 1.43 0.14 -4.50 118.68 122.53 1xo3 s LEU 68 Ca 0.01 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1xo3 s LEU 68 Cb -0.13 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1xo3 s LEU 68 CO 0.03 0.35 -0.17 -0.69 0.23 0.00 0.00 176.35 176.10 1xo3 s VAL 69 N -0.70 2.60 -0.28 -1.59 1.01 -1.26 0.61 120.40 120.79 1xo3 s VAL 69 Ca 0.12 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 1xo3 s VAL 69 Cb -0.12 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1xo3 s VAL 69 CO 0.03 0.53 0.79 -0.76 0.00 0.00 0.00 175.10 175.69 1xo3 s LEU 70 N 0.55 4.08 -0.36 3.92 1.43 0.12 -1.67 118.68 126.75 1xo3 s LEU 70 Ca -0.11 0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 53.56 1xo3 s LEU 70 Cb -0.16 -3.10 0.01 0.00 0.03 0.00 0.00 46.19 42.97 1xo3 s LEU 70 CO 0.04 -0.57 0.70 -0.63 0.23 0.00 0.00 176.35 176.12 1xo3 s ILE 71 N 2.89 4.82 0.00 -0.59 -1.09 0.67 -1.34 121.20 126.57 1xo3 s ILE 71 Ca 0.33 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 1xo3 s ILE 71 Cb -0.15 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1xo3 s ILE 71 CO 0.11 -0.38 0.00 -3.20 -1.23 0.00 0.00 174.94 170.24 1xo3 n ASN 72 N 6.21 0.00 -0.19 3.58 2.85 -0.80 -0.72 115.26 126.19 1xo3 n ASN 72 Ca 0.01 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1xo3 n ASN 72 Cb 0.48 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 3.44 -0.03 -3.39 1.20 2.03 -1.26 -2.84 116.55 115.70 1xo3 n ASP 73 Ca 0.00 -0.13 -0.21 0.00 0.52 0.00 0.00 54.79 54.97 1xo3 n ASP 73 Cb 0.00 0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.34 1xo3 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xo3 n ALA 74 N 0.00 0.59 -2.24 -1.67 0.00 0.11 -5.00 120.51 112.29 1xo3 n ALA 74 Ca -0.01 -1.85 -0.43 0.00 0.00 0.00 0.00 53.44 51.15 1xo3 n ALA 74 Cb 0.12 1.36 -0.02 0.00 0.00 0.00 0.00 19.45 20.91 1xo3 n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xo3 s ASP 75 N -3.23 6.31 0.22 0.00 1.11 -1.26 -0.24 116.67 119.58 1xo3 s ASP 75 Ca 0.27 1.14 -0.10 0.00 0.18 0.00 0.00 52.55 54.04 1xo3 s ASP 75 Cb 0.01 -2.54 0.33 0.00 1.07 0.00 0.00 42.92 41.79 1xo3 s ASP 75 CO 0.19 -1.40 1.66 4.11 1.18 0.00 0.00 175.17 180.91 1xo3 h TRP 76 N 10.92 -0.02 0.00 4.23 0.09 -1.64 -2.36 115.95 127.16 1xo3 h TRP 76 Ca -0.30 0.05 -0.06 0.00 0.09 0.00 0.00 58.89 58.67 1xo3 h TRP 76 Cb 1.13 0.11 -0.01 0.00 0.08 0.00 0.00 29.16 30.47 1xo3 h TRP 76 CO 0.94 -0.17 -0.30 1.05 0.09 0.00 0.00 178.44 180.06 1xo3 h GLU 77 N 0.13 0.00 0.00 0.12 4.11 -1.91 0.18 114.58 117.21 1xo3 h GLU 77 Ca 0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.77 1xo3 h GLU 77 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xo3 h GLU 77 CO -0.55 0.30 -0.33 -0.07 0.07 0.00 0.00 179.01 178.43 1xo3 h LEU 78 N 0.00 0.00 0.00 3.06 3.38 -1.85 -3.36 115.31 116.55 1xo3 h LEU 78 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1xo3 h LEU 78 Cb 0.55 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1xo3 h LEU 78 CO 0.04 0.01 -2.28 0.18 0.09 0.00 0.00 178.44 176.48 1xo3 n LEU 79 N -2.97 0.40 0.00 1.67 4.32 -0.21 -4.99 117.00 115.22 1xo3 n LEU 79 Ca 0.03 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1xo3 n LEU 79 Cb 0.54 0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.66 1xo3 n LEU 79 CO 0.36 0.52 0.00 0.61 -1.22 0.00 0.00 177.39 177.66 1xo3 n GLY 80 N 1.76 0.71 7.00 -0.72 0.00 0.42 -5.07 105.19 109.29 1xo3 n GLY 80 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.16 1.61 0.28 -0.02 -3.09 120.64 119.26 1xo3 n GLU 81 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1xo3 n GLU 81 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -1.08 -5.43 -1.84 -0.00 -1.89 -2.82 115.31 102.25 1xo3 h LEU 82 Ca 0.00 0.21 -0.69 0.00 -0.00 0.00 0.00 57.88 57.39 1xo3 h LEU 82 Cb 0.00 0.53 -0.17 0.00 -0.00 0.00 0.00 40.66 41.02 1xo3 h LEU 82 CO 0.00 -0.30 1.61 0.47 -0.00 0.00 0.00 178.44 180.22 1xo3 n ASP 83 N -5.42 7.52 -4.86 0.17 8.00 -1.18 -0.29 116.55 120.49 1xo3 n ASP 83 Ca 0.03 -3.29 -0.35 0.00 0.71 0.00 0.00 54.79 51.89 1xo3 n ASP 83 Cb 0.34 -1.28 -0.06 0.00 -0.02 0.00 0.00 41.12 40.11 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xo3 s TYR 84 N -2.00 3.58 -1.37 1.24 2.02 -1.07 -4.96 117.35 114.79 1xo3 s TYR 84 Ca 0.53 0.89 0.15 0.00 -0.37 0.00 0.00 57.07 58.27 1xo3 s TYR 84 Cb 0.25 -2.24 0.56 0.00 -0.40 0.00 0.00 41.96 40.14 1xo3 s TYR 84 CO -0.15 0.47 1.45 0.00 -1.57 0.00 0.00 175.55 175.75 1xo3 n GLN 85 N 0.81 3.02 -1.54 -0.62 0.00 -1.26 -4.17 117.38 113.62 1xo3 n GLN 85 Ca -0.07 -2.24 0.07 0.00 0.00 0.00 0.00 57.00 54.76 1xo3 n GLN 85 Cb 0.52 -1.71 -0.04 0.00 0.00 0.00 0.00 30.24 29.01 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 0.92 -1.43 -3.91 2.61 7.99 -1.26 -4.96 117.00 116.96 1xo3 n LEU 86 Ca 0.20 2.68 -0.10 0.00 -0.01 0.00 0.00 56.01 58.78 1xo3 n LEU 86 Cb 0.69 -3.16 -0.11 0.00 -0.11 0.00 0.00 43.42 40.73 1xo3 n LEU 86 CO 0.18 -1.32 -0.26 0.00 -1.51 0.00 0.00 177.39 174.48 1xo3 s GLN 87 N -5.03 0.37 0.38 3.23 0.00 -1.26 -5.08 119.66 112.27 1xo3 s GLN 87 Ca 0.00 -0.43 -0.26 0.00 -0.00 0.00 0.00 55.36 54.67 1xo3 s GLN 87 Cb 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 33.01 33.07 1xo3 s GLN 87 CO 0.00 -0.08 1.18 0.34 0.00 0.00 0.00 175.29 176.74 1xo3 s ASP 88 N -1.25 6.62 -1.24 12.60 2.15 -1.26 -2.72 116.67 131.55 1xo3 s ASP 88 Ca -0.14 2.39 0.00 0.00 0.43 0.00 0.00 52.55 55.23 1xo3 s ASP 88 Cb -0.08 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1xo3 s ASP 88 CO 0.00 -0.61 0.00 0.00 -0.17 0.00 0.00 175.17 174.39 1xo3 n GLN 89 N 0.27 -0.97 -2.49 4.34 1.13 0.74 -4.93 117.38 115.47 1xo3 n GLN 89 Ca 0.03 0.79 -0.42 0.00 -1.94 0.00 0.00 57.00 55.47 1xo3 n GLN 89 Cb 0.46 -4.93 -0.03 0.00 0.11 0.00 0.00 30.24 25.84 1xo3 n GLN 89 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1xo3 s ASP 90 N -2.63 7.18 -0.56 1.08 2.15 -1.10 -4.89 116.67 117.89 1xo3 s ASP 90 Ca 0.00 2.00 -0.11 0.00 0.43 0.00 0.00 52.55 54.87 1xo3 s ASP 90 Cb 0.00 -2.59 0.14 0.00 -0.30 0.00 0.00 42.92 40.17 1xo3 s ASP 90 CO 0.00 -0.35 0.46 -0.55 -0.17 0.00 0.00 175.17 174.56 1xo3 s SER 91 N 0.62 5.96 -0.51 -0.34 0.15 -1.13 -0.24 113.70 118.21 1xo3 s SER 91 Ca 0.54 -2.09 -0.24 0.00 0.70 0.00 0.00 55.95 54.87 1xo3 s SER 91 Cb -0.28 -2.08 0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1xo3 s SER 91 CO 0.31 -0.69 0.90 -0.63 1.20 0.00 0.00 173.24 174.33 1xo3 s ILE 92 N 1.11 4.47 -0.14 6.45 -1.09 0.23 -1.90 121.20 130.33 1xo3 s ILE 92 Ca 0.08 0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 1xo3 s ILE 92 Cb -0.24 -4.47 0.01 0.00 -1.58 0.00 0.00 42.46 36.18 1xo3 s ILE 92 CO -0.01 -0.97 -0.21 -0.22 -1.23 0.00 0.00 174.94 172.29 1xo3 s LEU 93 N 3.76 2.08 -0.37 2.97 0.20 -0.45 -1.08 118.68 125.79 1xo3 s LEU 93 Ca 0.31 -0.59 -0.17 0.00 0.69 0.00 0.00 54.13 54.37 1xo3 s LEU 93 Cb -0.12 -1.42 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 1xo3 s LEU 93 CO 0.21 0.07 0.46 -0.36 -0.29 0.00 0.00 176.35 176.45 1xo3 s PHE 94 N 0.85 3.18 -0.34 5.38 0.40 -0.77 -0.70 117.98 125.97 1xo3 s PHE 94 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1xo3 s PHE 94 Cb -0.15 -2.87 0.08 0.00 0.51 0.00 0.00 43.02 40.59 1xo3 s PHE 94 CO -0.02 -0.56 0.06 0.42 0.70 0.00 0.00 175.22 175.82 1xo3 s ILE 95 N 2.26 2.78 -0.18 0.64 1.09 0.20 0.16 121.20 128.14 1xo3 s ILE 95 Ca 0.16 -1.89 -0.29 0.00 -1.10 0.00 0.00 60.65 57.53 1xo3 s ILE 95 Cb -0.16 -2.82 -0.03 0.00 -1.06 0.00 0.00 42.46 38.39 1xo3 s ILE 95 CO 0.13 -0.41 1.56 -0.55 -0.10 0.00 0.00 174.94 175.57 1xo3 s SER 96 N 1.31 6.53 0.00 3.58 0.15 -1.25 0.28 113.70 124.31 1xo3 s SER 96 Ca 0.03 1.73 0.23 0.00 0.70 0.00 0.00 55.95 58.64 1xo3 s SER 96 Cb -0.20 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.19 1xo3 s SER 96 CO -0.04 -1.11 1.52 1.07 1.20 0.00 0.00 173.24 175.87 1xo3 n THR 97 N 6.06 0.91 -2.17 6.45 5.66 0.16 -4.38 114.28 126.97 1xo3 n THR 97 Ca 0.18 -0.94 -0.38 0.00 -3.05 0.00 0.00 64.05 59.85 1xo3 n THR 97 Cb 0.45 0.57 -0.01 0.00 -1.55 0.00 0.00 70.33 69.79 1xo3 n THR 97 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1xo3 s LEU 98 N -1.08 4.11 -0.49 1.09 1.43 -1.14 -5.01 118.68 117.60 1xo3 s LEU 98 Ca 0.48 2.46 0.03 0.00 -1.03 0.00 0.00 54.13 56.06 1xo3 s LEU 98 Cb 0.25 -4.08 0.13 0.00 0.03 0.00 0.00 46.19 42.53 1xo3 s LEU 98 CO 0.33 -0.88 0.25 -2.28 0.23 0.00 0.00 176.35 174.01 1xo3 s HIS 99 N -1.40 2.75 -0.09 0.29 2.46 -1.26 -4.96 115.29 113.08 1xo3 s HIS 99 Ca 0.60 -2.91 0.14 0.00 0.47 0.00 0.00 55.06 53.36 1xo3 s HIS 99 Cb -0.33 -2.49 -0.07 0.00 -0.13 0.00 0.00 32.58 29.57 1xo3 s HIS 99 CO 0.41 -0.76 1.17 0.78 -2.47 0.00 0.00 174.74 173.87 1xo3 h GLY 100 N 6.58 0.00 0.00 1.59 0.00 -2.02 -3.56 103.07 105.65 1xo3 h GLY 100 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1xo3 h GLY 100 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77