#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 3.32 0.02 -1.46 0.00 -1.26 -4.87 121.76 117.50 1xo3 s ALA 2 Ca 0.00 -2.25 -0.21 0.00 0.00 0.00 0.00 51.96 49.50 1xo3 s ALA 2 Cb 0.00 -2.70 -0.17 0.00 0.00 0.00 0.00 23.12 20.25 1xo3 s ALA 2 CO 0.00 -1.71 1.26 0.00 0.00 0.00 0.00 175.76 175.31 1xo3 h ALA 3 N 8.42 0.16 -2.37 0.00 0.00 -1.97 -3.37 119.26 120.13 1xo3 h ALA 3 Ca -0.22 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xo3 h ALA 3 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xo3 h ALA 3 CO 0.78 0.10 0.00 -2.30 0.00 0.00 0.00 179.25 177.83 1xo3 n PRO 4 N -4.53 0.00 -3.68 0.00 -0.02 -1.26 -4.89 135.00 120.62 1xo3 n PRO 4 Ca -0.07 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 1xo3 n PRO 4 Cb 0.41 -1.11 -0.08 0.00 -0.02 0.00 0.00 33.50 32.70 1xo3 n PRO 4 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1xo3 s LEU 5 N -2.42 0.01 -0.07 2.45 0.05 -1.26 -4.97 118.68 112.47 1xo3 s LEU 5 Ca 0.00 0.87 0.01 0.00 0.05 0.00 0.00 54.13 55.06 1xo3 s LEU 5 Cb 0.00 1.85 -0.03 0.00 -2.05 0.00 0.00 46.19 45.96 1xo3 s LEU 5 CO 0.00 -0.29 -0.09 0.00 -0.55 0.00 0.00 176.35 175.42 1xo3 s VAL 7 N -0.69 2.24 -0.05 0.00 -7.23 -0.70 -2.11 120.40 111.87 1xo3 s VAL 7 Ca 0.10 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1xo3 s VAL 7 Cb -0.11 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1xo3 s VAL 7 CO 0.01 -0.16 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.77 1xo3 s LYS 8 N -2.71 2.54 -0.08 4.82 2.20 0.75 -1.89 119.74 125.37 1xo3 s LYS 8 Ca 0.20 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 1xo3 s LYS 8 Cb -0.07 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.84 1xo3 s LYS 8 CO 0.09 0.63 -0.14 0.08 -0.36 0.00 0.00 175.35 175.65 1xo3 s VAL 9 N -0.76 1.31 0.06 4.02 1.01 0.42 0.37 120.40 126.83 1xo3 s VAL 9 Ca 0.12 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1xo3 s VAL 9 Cb -0.11 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1xo3 s VAL 9 CO 0.01 0.40 0.10 -0.70 0.00 0.00 0.00 175.10 174.91 1xo3 s GLU 10 N 0.78 0.71 -0.09 2.72 2.12 -0.12 0.59 118.70 125.41 1xo3 s GLU 10 Ca -0.12 -0.98 -0.01 0.00 0.36 0.00 0.00 54.97 54.23 1xo3 s GLU 10 Cb -0.16 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 1xo3 s GLU 10 CO 0.02 -0.19 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.45 1xo3 s PHE 11 N -3.54 3.03 0.00 5.30 0.08 -1.08 -1.33 117.98 120.43 1xo3 s PHE 11 Ca 0.03 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.11 1xo3 s PHE 11 Cb 0.04 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 1xo3 s PHE 11 CO -0.09 0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.76 1xo3 n GLY 12 N 2.43 0.00 1.32 4.36 0.00 -0.32 -4.69 105.19 108.29 1xo3 n GLY 12 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 1.63 2.46 2.19 -0.02 0.00 -1.09 -4.59 105.19 105.77 1xo3 n GLY 13 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 0.84 0.45 0.19 -0.02 0.00 -1.26 -3.80 105.19 101.58 1xo3 n GLY 14 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 1.18 -0.16 4.61 0.00 -1.84 -2.77 119.26 120.27 1xo3 h ALA 15 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xo3 h ALA 15 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xo3 h ALA 15 CO 0.02 0.56 0.11 1.05 0.00 0.00 0.00 179.25 181.00 1xo3 h GLU 16 N 0.13 0.17 0.00 0.00 9.09 -1.84 -0.65 114.58 121.49 1xo3 h GLU 16 Ca 0.01 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xo3 h GLU 16 Cb 0.78 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1xo3 h GLU 16 CO 0.06 0.11 0.00 -0.07 0.05 0.00 0.00 179.01 179.16 1xo3 h LEU 17 N 0.17 0.00 -0.16 3.06 3.38 -1.81 0.47 115.31 120.42 1xo3 h LEU 17 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1xo3 h LEU 17 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xo3 h LEU 17 CO -0.01 0.00 -0.25 -0.07 0.09 0.00 0.00 178.44 178.20 1xo3 h LEU 18 N 0.00 0.00 -3.62 1.67 3.38 -1.29 -3.25 115.31 112.20 1xo3 h LEU 18 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1xo3 h LEU 18 Cb 0.03 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.53 1xo3 h LEU 18 CO 0.00 0.25 -0.15 0.49 0.09 0.00 0.00 178.44 179.12 1xo3 n PHE 19 N -3.18 2.09 0.00 1.13 3.72 0.14 -3.29 117.46 118.06 1xo3 n PHE 19 Ca 0.03 -2.11 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 1xo3 n PHE 19 Cb 0.61 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.94 0.00 0.00 4.37 2.03 -1.07 -2.74 116.55 118.20 1xo3 n ASP 20 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1xo3 n ASP 20 Cb 0.95 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 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 -1.32 -0.35 3.73 0.27 0.00 0.39 -4.84 105.19 103.07 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 -0.51 3.77 0.01 1.61 0.11 -1.11 -4.85 120.40 119.44 1xo3 s VAL 22 Ca 0.00 1.46 -0.00 0.00 -2.93 0.00 0.00 61.98 60.51 1xo3 s VAL 22 Cb 0.00 -3.93 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1xo3 s VAL 22 CO 0.00 0.22 -0.01 0.29 -3.33 0.00 0.00 175.10 172.27 1xo3 n LYS 23 N 2.71 0.01 -2.30 1.54 5.02 -1.26 -4.55 118.16 119.34 1xo3 n LYS 23 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1xo3 n LYS 23 Cb 0.46 -0.17 -0.03 0.00 -0.02 0.00 0.00 35.03 35.27 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 -1.23 4.27 -0.16 1.97 2.20 -1.26 -2.65 119.74 122.88 1xo3 s LYS 24 Ca -0.01 1.85 -0.03 0.00 -0.36 0.00 0.00 55.97 57.43 1xo3 s LYS 24 Cb 0.00 -3.67 0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1xo3 s LYS 24 CO 0.01 -0.62 0.04 -1.58 -0.36 0.00 0.00 175.35 172.84 1xo3 s HIS 25 N 2.86 0.73 -0.13 4.03 2.46 0.20 -4.99 115.29 120.45 1xo3 s HIS 25 Ca 0.61 -0.56 -0.08 0.00 0.47 0.00 0.00 55.06 55.51 1xo3 s HIS 25 Cb -0.28 -0.89 -0.04 0.00 -0.13 0.00 0.00 32.58 31.25 1xo3 s HIS 25 CO 0.23 -0.52 0.15 -1.14 -2.47 0.00 0.00 174.74 170.99 1xo3 s GLN 26 N 1.96 3.56 -0.02 2.88 0.74 -1.26 -0.43 119.66 127.07 1xo3 s GLN 26 Ca 0.01 -0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.31 1xo3 s GLN 26 Cb -0.16 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.73 1xo3 s GLN 26 CO -0.07 0.71 -0.07 0.54 -0.55 0.00 0.00 175.29 175.84 1xo3 s VAL 27 N -0.84 0.65 -0.09 1.34 0.11 -0.79 -4.97 120.40 115.82 1xo3 s VAL 27 Ca 0.14 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1xo3 s VAL 27 Cb -0.12 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1xo3 s VAL 27 CO 0.03 0.21 -0.07 0.00 -3.33 0.00 0.00 175.10 171.94 1xo3 s ALA 28 N 0.21 2.95 0.26 1.54 0.00 -1.26 -1.72 121.76 123.74 1xo3 s ALA 28 Ca -0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1xo3 s ALA 28 Cb -0.08 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.67 1xo3 s ALA 28 CO 0.00 0.49 1.36 -0.51 0.00 0.00 0.00 175.76 177.09 1xo3 s LEU 29 N -0.51 4.41 0.30 0.00 1.43 -1.12 -4.86 118.68 118.33 1xo3 s LEU 29 Ca 0.08 2.58 0.15 0.00 -1.03 0.00 0.00 54.13 55.91 1xo3 s LEU 29 Cb -0.12 -3.63 0.81 0.00 0.03 0.00 0.00 46.19 43.29 1xo3 s LEU 29 CO 0.02 -0.59 1.39 -2.65 0.23 0.00 0.00 176.35 174.74 1xo3 n PRO 30 N 2.00 0.10 0.00 1.29 -0.02 -1.25 -4.48 135.00 132.64 1xo3 n PRO 30 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1xo3 n PRO 30 Cb 0.41 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1xo3 n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xo3 n GLY 31 N -1.29 2.09 0.22 -1.23 0.00 -1.26 -4.59 105.19 99.13 1xo3 n GLY 31 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1xo3 n GLY 31 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xo3 h GLN 32 N 0.00 0.70 -5.26 1.61 3.07 -2.03 -3.45 115.11 109.75 1xo3 h GLN 32 Ca 0.00 -0.22 -0.38 0.00 0.09 0.00 0.00 58.65 58.15 1xo3 h GLN 32 Cb 0.00 -0.07 -0.17 0.00 0.08 0.00 0.00 27.48 27.33 1xo3 h GLN 32 CO 0.00 0.78 -0.74 -2.00 0.09 0.00 0.00 178.83 176.96 1xo3 s GLU 33 N -5.03 1.04 -0.78 0.06 2.56 -1.26 -5.10 118.70 110.18 1xo3 s GLU 33 Ca -0.13 -1.32 0.03 0.00 0.00 0.00 0.00 54.97 53.54 1xo3 s GLU 33 Cb 0.10 -0.78 0.20 0.00 2.00 0.00 0.00 34.13 35.64 1xo3 s GLU 33 CO 0.79 0.13 0.64 0.39 -0.56 0.00 0.00 175.26 176.65 1xo3 n GLU 34 N 0.24 2.23 -0.05 4.30 1.02 -1.26 -3.83 120.64 123.28 1xo3 n GLU 34 Ca -0.13 -4.51 0.12 0.00 -0.02 0.00 0.00 57.16 52.62 1xo3 n GLU 34 Cb 0.58 -2.34 0.39 0.00 -0.02 0.00 0.00 31.44 30.06 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1xo3 n PRO 35 N 1.98 1.82 -0.66 3.49 -0.05 -1.26 -4.36 135.00 135.96 1xo3 n PRO 35 Ca 0.21 -1.22 -0.13 0.00 -0.05 0.00 0.00 63.50 62.32 1xo3 n PRO 35 Cb 0.36 -1.44 0.08 0.00 -0.05 0.00 0.00 33.50 32.45 1xo3 n PRO 35 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 175.50 176.36 1xo3 n TRP 36 N 0.45 1.51 -0.94 0.54 5.03 -1.26 -4.72 117.44 118.04 1xo3 n TRP 36 Ca 0.17 -1.33 -0.33 0.00 3.03 0.00 0.00 57.50 59.04 1xo3 n TRP 36 Cb 0.38 -0.67 0.13 0.00 -1.03 0.00 0.00 31.31 30.12 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 -0.16 -0.19 -0.34 -0.99 9.92 -1.25 -4.65 116.55 118.88 1xo3 n ASP 37 Ca 0.29 0.48 0.13 0.00 -0.53 0.00 0.00 54.79 55.17 1xo3 n ASP 37 Cb 0.96 -1.39 0.34 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.25 0.72 -0.59 0.53 1.08 -1.50 0.10 117.51 116.61 1xo3 h ILE 38 Ca -0.45 -0.25 0.08 0.00 -0.39 0.00 0.00 64.86 63.85 1xo3 h ILE 38 Cb 1.29 -0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1xo3 h ILE 38 CO 0.41 0.13 0.23 -0.09 -0.69 0.00 0.00 178.15 178.15 1xo3 h ARG 39 N 0.74 0.41 0.00 2.37 1.12 -0.64 -1.09 114.38 117.28 1xo3 h ARG 39 Ca 0.56 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 59.22 1xo3 h ARG 39 Cb 0.90 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.75 1xo3 h ARG 39 CO -0.34 0.27 -0.84 -0.91 -3.11 0.00 0.00 179.97 175.03 1xo3 h ASN 40 N 0.42 0.11 0.46 -3.80 2.35 -1.08 -2.76 115.58 111.28 1xo3 h ASN 40 Ca 0.29 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.81 1xo3 h ASN 40 Cb 0.33 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1xo3 h ASN 40 CO -0.28 0.90 -0.60 -0.07 -1.65 0.00 0.00 177.43 175.73 1xo3 h LEU 41 N 0.04 0.16 -1.05 1.61 -0.00 -1.09 -0.90 115.31 114.08 1xo3 h LEU 41 Ca -0.02 -0.09 0.02 0.00 -0.00 0.00 0.00 57.88 57.78 1xo3 h LEU 41 Cb 1.47 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 42.04 1xo3 h LEU 41 CO 0.12 0.72 0.64 0.25 -0.00 0.00 0.00 178.44 180.17 1xo3 h LEU 42 N 0.10 1.10 -0.17 1.67 6.46 -0.98 0.22 115.31 123.71 1xo3 h LEU 42 Ca -0.01 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1xo3 h LEU 42 Cb 1.09 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1xo3 h LEU 42 CO 0.09 0.78 0.01 0.58 -0.62 0.00 0.00 178.44 179.28 1xo3 h VAL 43 N 1.29 1.24 -0.55 1.05 2.07 -1.10 0.64 116.25 120.90 1xo3 h VAL 43 Ca 0.36 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 67.17 1xo3 h VAL 43 Cb -0.11 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1xo3 h VAL 43 CO -0.09 0.24 0.21 -0.25 0.02 0.00 0.00 177.57 177.70 1xo3 h TRP 44 N 0.05 0.38 -0.21 1.57 2.91 -0.87 0.18 115.95 119.96 1xo3 h TRP 44 Ca 0.05 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 1xo3 h TRP 44 Cb 0.35 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 1xo3 h TRP 44 CO 0.03 0.13 0.01 0.82 -1.03 0.00 0.00 178.44 178.40 1xo3 h ILE 45 N 0.41 1.25 0.57 2.65 2.04 -0.29 -1.43 117.51 122.71 1xo3 h ILE 45 Ca 0.26 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1xo3 h ILE 45 Cb 0.28 1.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1xo3 h ILE 45 CO -0.25 0.26 -0.27 0.11 0.00 0.00 0.00 178.15 177.99 1xo3 h LYS 46 N 0.14 -0.74 0.00 2.37 1.57 0.75 0.28 116.57 120.94 1xo3 h LYS 46 Ca 0.06 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xo3 h LYS 46 Cb 0.37 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1xo3 h LYS 46 CO 0.01 -0.43 -0.77 0.87 -0.57 0.00 0.00 179.45 178.56 1xo3 h LYS 47 N -1.01 0.00 0.00 3.15 1.57 -0.75 -2.96 116.57 116.57 1xo3 h LYS 47 Ca -0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1xo3 h LYS 47 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1xo3 h LYS 47 CO 0.13 0.00 -1.63 0.09 -0.57 0.00 0.00 179.45 177.47 1xo3 n ASN 48 N -2.36 2.66 -0.05 0.86 5.03 -0.56 -4.81 115.26 116.03 1xo3 n ASN 48 Ca 0.02 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.41 1xo3 n ASN 48 Cb 0.48 0.83 -0.07 0.00 -1.02 0.00 0.00 39.78 40.00 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1xo3 n LEU 49 N -2.29 0.94 -4.58 3.41 7.94 -0.52 -4.91 117.00 116.99 1xo3 n LEU 49 Ca -0.14 -0.02 -0.42 0.00 -1.11 0.00 0.00 56.01 54.32 1xo3 n LEU 49 Cb 0.74 0.03 -0.03 0.00 0.53 0.00 0.00 43.42 44.69 1xo3 n LEU 49 CO 0.20 0.39 1.50 -0.22 -1.11 0.00 0.00 177.39 178.15 1xo3 s LEU 50 N -5.05 3.46 0.06 -1.96 1.98 0.87 -4.62 118.68 113.43 1xo3 s LEU 50 Ca -0.09 0.93 -0.14 0.00 -2.89 0.00 0.00 54.13 51.94 1xo3 s LEU 50 Cb 0.03 -3.23 -0.27 0.00 0.66 0.00 0.00 46.19 43.38 1xo3 s LEU 50 CO 0.37 -1.85 1.13 0.11 -1.89 0.00 0.00 176.35 174.22 1xo3 h LYS 51 N 13.04 0.62 0.00 1.98 1.79 -1.86 -3.46 116.57 128.68 1xo3 h LYS 51 Ca -0.30 -0.80 0.00 0.00 -2.18 0.00 0.00 60.65 57.37 1xo3 h LYS 51 Cb 1.15 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1xo3 h LYS 51 CO 1.10 1.36 0.00 -0.85 -1.08 0.00 0.00 179.45 179.97 1xo3 n GLU 52 N -3.79 2.71 -2.77 3.15 0.28 -1.26 -5.01 120.64 113.96 1xo3 n GLU 52 Ca -0.13 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.44 1xo3 n GLU 52 Cb 0.97 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.80 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 1.66 3.84 0.00 3.44 0.52 -1.26 -4.90 118.95 122.25 1xo3 s ARG 53 Ca 0.00 0.62 0.10 0.00 -0.52 0.00 0.00 55.73 55.93 1xo3 s ARG 53 Cb 0.00 -3.81 0.55 0.00 0.52 0.00 0.00 34.95 32.21 1xo3 s ARG 53 CO 0.00 -0.99 1.18 -2.30 0.02 0.00 0.00 175.30 173.20 1xo3 n PRO 54 N 6.90 0.20 -0.28 3.54 -0.02 -1.26 -3.23 135.00 140.85 1xo3 n PRO 54 Ca 0.08 0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.65 1xo3 n PRO 54 Cb 0.48 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.52 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 1.03 -0.00 -0.52 5.08 -1.92 -0.85 114.58 117.40 1xo3 h GLU 55 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xo3 h GLU 55 Cb 0.07 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1xo3 h GLU 55 CO 0.00 0.72 -0.07 1.47 -1.00 0.00 0.00 179.01 180.13 1xo3 n LEU 56 N -4.50 0.14 0.00 1.33 -0.00 -1.20 -4.82 117.00 107.94 1xo3 n LEU 56 Ca 0.07 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1xo3 n LEU 56 Cb 0.05 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1xo3 n LEU 56 CO 0.37 0.03 0.00 0.33 -0.00 0.00 0.00 177.39 178.12 1xo3 n PHE 57 N -1.34 -1.55 -2.07 1.47 7.35 -0.32 -5.05 117.46 115.96 1xo3 n PHE 57 Ca 0.10 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.47 1xo3 n PHE 57 Cb 0.30 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.13 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 0.13 4.29 0.45 -2.13 -4.36 -1.26 -4.73 121.20 113.60 1xo3 s ILE 58 Ca 0.00 0.96 -0.24 0.00 -0.26 0.00 0.00 60.65 61.11 1xo3 s ILE 58 Cb 0.00 -3.61 -0.07 0.00 1.25 0.00 0.00 42.46 40.03 1xo3 s ILE 58 CO 0.00 -0.76 1.28 0.00 0.24 0.00 0.00 174.94 175.71 1xo3 s GLN 59 N -4.44 3.72 -0.67 0.37 1.03 -1.26 -4.69 119.66 113.72 1xo3 s GLN 59 Ca 0.59 2.08 -0.07 0.00 0.04 0.00 0.00 55.36 58.01 1xo3 s GLN 59 Cb -0.12 -2.55 -0.16 0.00 0.03 0.00 0.00 33.01 30.20 1xo3 s GLN 59 CO 0.41 -0.67 2.98 0.41 -2.54 0.00 0.00 175.29 175.88 1xo3 n GLY 60 N 0.62 3.29 0.83 2.60 0.00 -1.26 -3.03 105.19 108.24 1xo3 n GLY 60 Ca 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 3.13 0.00 0.00 1.61 8.00 -1.26 -5.00 116.55 123.03 1xo3 n ASP 61 Ca 0.52 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1xo3 n ASP 61 Cb 0.52 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.92 0.00 -3.54 -2.24 2.88 -1.17 -3.93 113.62 103.71 1xo3 n SER 62 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1xo3 n SER 62 Cb 0.00 0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.18 0.04 0.70 2.46 -7.23 -1.25 -4.84 120.40 110.10 1xo3 s VAL 63 Ca 0.00 -0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 1xo3 s VAL 63 Cb 0.00 -1.08 0.01 0.00 0.56 0.00 0.00 36.38 35.87 1xo3 s VAL 63 CO 0.00 -0.17 1.07 0.00 -0.31 0.00 0.00 175.10 175.69 1xo3 s ARG 64 N -3.64 2.80 0.62 4.82 1.70 -1.26 -4.13 118.95 119.87 1xo3 s ARG 64 Ca 0.01 1.09 0.32 0.00 -0.47 0.00 0.00 55.73 56.68 1xo3 s ARG 64 Cb 0.00 -1.97 1.81 0.00 -0.57 0.00 0.00 34.95 34.23 1xo3 s ARG 64 CO -0.11 -1.21 2.12 -1.35 -1.08 0.00 0.00 175.30 173.67 1xo3 h PRO 65 N -0.58 0.00 -0.03 3.89 0.11 -2.00 -0.34 132.00 133.04 1xo3 h PRO 65 Ca -0.44 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 1xo3 h PRO 65 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1xo3 h PRO 65 CO 0.55 0.00 -0.63 0.78 -0.21 0.00 0.00 178.00 178.50 1xo3 h GLY 66 N 0.00 0.14 -5.40 -0.55 0.00 -1.96 -3.44 103.07 91.85 1xo3 h GLY 66 Ca 0.05 -0.17 -0.67 0.00 0.00 0.00 0.00 47.33 46.54 1xo3 h GLY 66 CO -0.00 0.16 -0.78 -0.42 0.00 0.00 0.00 176.54 175.50 1xo3 s ILE 67 N -3.66 2.94 0.08 2.60 1.01 -0.14 0.19 121.20 124.22 1xo3 s ILE 67 Ca -0.03 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1xo3 s ILE 67 Cb 0.12 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1xo3 s ILE 67 CO 0.78 0.54 0.11 -0.76 0.00 0.00 0.00 174.94 175.61 1xo3 s LEU 68 N 0.07 3.91 -0.12 2.97 1.43 0.14 -4.13 118.68 122.95 1xo3 s LEU 68 Ca -0.06 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1xo3 s LEU 68 Cb -0.15 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 1xo3 s LEU 68 CO 0.05 0.17 -0.15 -0.69 0.23 0.00 0.00 176.35 175.95 1xo3 s VAL 69 N -1.43 2.91 -0.33 -1.59 1.01 -1.26 0.31 120.40 120.02 1xo3 s VAL 69 Ca 0.30 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1xo3 s VAL 69 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1xo3 s VAL 69 CO 0.23 0.54 0.41 -0.76 0.00 0.00 0.00 175.10 175.52 1xo3 s LEU 70 N 0.25 4.33 -0.47 3.92 1.43 -0.18 -2.16 118.68 125.79 1xo3 s LEU 70 Ca -0.10 -0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 1xo3 s LEU 70 Cb -0.16 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.66 1xo3 s LEU 70 CO 0.06 -0.35 0.91 -0.63 0.23 0.00 0.00 176.35 176.57 1xo3 s ILE 71 N 2.15 4.47 0.00 -0.59 -1.09 0.18 -2.00 121.20 124.33 1xo3 s ILE 71 Ca 0.15 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1xo3 s ILE 71 Cb -0.16 -4.44 0.00 0.00 -1.58 0.00 0.00 42.46 36.28 1xo3 s ILE 71 CO 0.12 -0.87 0.00 -3.20 -1.23 0.00 0.00 174.94 169.76 1xo3 n ASN 72 N 7.17 0.00 0.00 3.58 2.85 -0.79 -1.25 115.26 126.83 1xo3 n ASN 72 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 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 3.54 0.00 -4.26 1.20 2.03 -1.26 -3.08 116.55 114.72 1xo3 n ASP 73 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1xo3 n ASP 73 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 2.25 -0.35 -1.67 0.00 -0.38 -5.00 121.76 116.61 1xo3 s ALA 74 Ca 0.00 -1.77 -0.28 0.00 0.00 0.00 0.00 51.96 49.91 1xo3 s ALA 74 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1xo3 s ALA 74 CO 0.00 -0.39 1.98 -0.51 0.00 0.00 0.00 175.76 176.84 1xo3 s ASP 75 N -3.45 5.54 0.19 0.00 1.01 -1.26 -0.64 116.67 118.05 1xo3 s ASP 75 Ca 0.34 1.32 -0.19 0.00 0.71 0.00 0.00 52.55 54.72 1xo3 s ASP 75 Cb 0.06 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.61 1xo3 s ASP 75 CO 0.15 -1.98 1.61 4.11 0.21 0.00 0.00 175.17 179.26 1xo3 h TRP 76 N 14.43 -0.69 -0.54 4.23 -0.00 -1.78 -2.48 115.95 129.12 1xo3 h TRP 76 Ca -0.34 0.06 0.04 0.00 -0.00 0.00 0.00 58.89 58.65 1xo3 h TRP 76 Cb 1.20 0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 30.70 1xo3 h TRP 76 CO 0.96 -0.34 0.31 1.05 -0.00 0.00 0.00 178.44 180.42 1xo3 h GLU 77 N -0.14 0.58 -0.11 0.12 4.11 -1.90 0.50 114.58 117.75 1xo3 h GLU 77 Ca 0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1xo3 h GLU 77 Cb 0.51 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xo3 h GLU 77 CO -0.60 0.38 0.00 1.47 0.07 0.00 0.00 179.01 180.33 1xo3 n LEU 78 N -4.82 1.66 -0.10 3.06 -0.00 -1.16 -3.58 117.00 112.06 1xo3 n LEU 78 Ca 0.05 -0.64 -0.11 0.00 -0.00 0.00 0.00 56.01 55.31 1xo3 n LEU 78 Cb 0.11 -0.06 -0.15 0.00 -0.00 0.00 0.00 43.42 43.32 1xo3 n LEU 78 CO 0.31 0.32 -1.16 0.18 -0.00 0.00 0.00 177.39 177.04 1xo3 n LEU 79 N 0.31 0.43 0.00 1.47 4.32 -0.42 -5.01 117.00 118.10 1xo3 n LEU 79 Ca 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1xo3 n LEU 79 Cb 0.35 0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1xo3 n LEU 79 CO 0.15 0.54 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 1xo3 n GLY 80 N 1.87 1.22 7.00 -0.72 0.00 -0.16 -5.08 105.19 109.32 1xo3 n GLY 80 Ca -0.34 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1xo3 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xo3 n GLU 81 N 0.00 0.00 -0.34 1.61 1.02 -0.01 -3.73 120.64 119.19 1xo3 n GLU 81 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xo3 n GLU 81 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 1xo3 n GLU 81 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1xo3 n LEU 82 N 0.00 -0.55 -3.86 -4.62 -0.00 -1.26 -2.59 117.00 104.11 1xo3 n LEU 82 Ca 0.00 1.54 -0.42 0.00 -0.00 0.00 0.00 56.01 57.12 1xo3 n LEU 82 Cb 0.00 -0.36 0.01 0.00 -0.00 0.00 0.00 43.42 43.07 1xo3 n LEU 82 CO 0.00 -1.39 1.87 -0.67 -0.00 0.00 0.00 177.39 177.21 1xo3 n ASP 83 N -5.31 5.35 -4.36 1.45 -0.08 -1.24 -0.12 116.55 112.23 1xo3 n ASP 83 Ca 0.09 -3.15 -0.36 0.00 -1.51 0.00 0.00 54.79 49.86 1xo3 n ASP 83 Cb 0.36 -1.45 -0.13 0.00 2.34 0.00 0.00 41.12 42.24 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1xo3 s TYR 84 N -0.08 3.03 -1.11 -0.67 6.14 -1.07 -4.96 117.35 118.63 1xo3 s TYR 84 Ca 0.39 -0.76 0.00 0.00 0.64 0.00 0.00 57.07 57.34 1xo3 s TYR 84 Cb 0.09 -2.17 0.00 0.00 0.42 0.00 0.00 41.96 40.30 1xo3 s TYR 84 CO 0.01 -0.48 0.23 0.00 0.64 0.00 0.00 175.55 175.95 1xo3 n GLN 85 N 4.85 0.41 -1.45 4.97 -0.00 -1.26 -3.87 117.38 121.03 1xo3 n GLN 85 Ca -0.17 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 56.86 1xo3 n GLN 85 Cb 0.51 -1.18 -0.01 0.00 -0.00 0.00 0.00 30.24 29.55 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 0.21 -1.27 -4.31 2.61 4.77 -1.26 -4.98 117.00 112.77 1xo3 n LEU 86 Ca 0.00 2.25 -0.22 0.00 -0.03 0.00 0.00 56.01 58.01 1xo3 n LEU 86 Cb 0.09 -2.87 -0.12 0.00 -2.33 0.00 0.00 43.42 38.19 1xo3 n LEU 86 CO 0.00 -0.86 -0.49 -1.10 -1.33 0.00 0.00 177.39 173.61 1xo3 s GLN 87 N -5.04 1.21 0.23 3.23 1.11 -1.26 -5.11 119.66 114.04 1xo3 s GLN 87 Ca 0.00 -1.32 -0.30 0.00 0.01 0.00 0.00 55.36 53.75 1xo3 s GLN 87 Cb 0.00 -1.33 -0.09 0.00 -1.01 0.00 0.00 33.01 30.58 1xo3 s GLN 87 CO 0.00 0.28 1.36 0.16 0.01 0.00 0.00 175.29 177.10 1xo3 s ASP 88 N -2.42 6.79 -0.99 5.90 -4.77 -1.26 -2.47 116.67 117.45 1xo3 s ASP 88 Ca 0.12 2.54 0.00 0.00 -3.30 0.00 0.00 52.55 51.91 1xo3 s ASP 88 Cb -0.07 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 1xo3 s ASP 88 CO 0.06 -0.59 0.00 0.00 0.70 0.00 0.00 175.17 175.34 1xo3 n GLN 89 N 2.29 -0.70 -1.91 2.11 1.13 -0.90 -4.96 117.38 114.44 1xo3 n GLN 89 Ca 0.06 0.76 -0.42 0.00 -1.94 0.00 0.00 57.00 55.46 1xo3 n GLN 89 Cb 0.42 -4.70 -0.03 0.00 0.11 0.00 0.00 30.24 26.03 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 -2.82 6.58 -0.62 1.08 1.01 -1.03 -4.85 116.67 116.02 1xo3 s ASP 90 Ca 0.00 2.52 -0.15 0.00 0.71 0.00 0.00 52.55 55.63 1xo3 s ASP 90 Cb 0.00 -2.57 0.15 0.00 1.01 0.00 0.00 42.92 41.52 1xo3 s ASP 90 CO 0.00 -0.89 0.57 -0.55 0.21 0.00 0.00 175.17 174.50 1xo3 s SER 91 N 2.36 6.32 -0.50 0.27 0.15 -1.18 -0.18 113.70 120.95 1xo3 s SER 91 Ca 0.74 -2.05 -0.22 0.00 0.70 0.00 0.00 55.95 55.12 1xo3 s SER 91 Cb -0.41 -2.20 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1xo3 s SER 91 CO 0.33 -0.77 0.78 -0.63 1.20 0.00 0.00 173.24 174.14 1xo3 s ILE 92 N 1.18 4.64 -0.11 6.45 -1.09 0.16 -1.88 121.20 130.56 1xo3 s ILE 92 Ca 0.07 0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 1xo3 s ILE 92 Cb -0.24 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 1xo3 s ILE 92 CO -0.00 -0.86 -0.23 -0.22 -1.23 0.00 0.00 174.94 172.39 1xo3 s LEU 93 N 3.28 2.13 -0.33 2.97 2.96 -0.85 -0.95 118.68 127.89 1xo3 s LEU 93 Ca 0.25 -0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 53.42 1xo3 s LEU 93 Cb -0.14 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1xo3 s LEU 93 CO 0.18 0.15 0.56 -0.36 -1.32 0.00 0.00 176.35 175.56 1xo3 s PHE 94 N 0.43 3.19 -0.28 5.38 0.40 -0.45 -1.01 117.98 125.64 1xo3 s PHE 94 Ca -0.16 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1xo3 s PHE 94 Cb -0.17 -2.97 0.06 0.00 0.51 0.00 0.00 43.02 40.45 1xo3 s PHE 94 CO 0.07 -0.52 -0.07 0.42 0.70 0.00 0.00 175.22 175.81 1xo3 s ILE 95 N 2.50 2.30 -0.16 0.64 -1.09 0.15 -1.17 121.20 124.37 1xo3 s ILE 95 Ca 0.21 -1.69 -0.29 0.00 -2.23 0.00 0.00 60.65 56.65 1xo3 s ILE 95 Cb -0.15 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 1xo3 s ILE 95 CO 0.13 -0.11 1.52 -0.55 -1.23 0.00 0.00 174.94 174.70 1xo3 s SER 96 N 1.11 6.61 0.00 3.58 0.15 -1.25 0.27 113.70 124.18 1xo3 s SER 96 Ca -0.06 1.79 0.19 0.00 0.70 0.00 0.00 55.95 58.57 1xo3 s SER 96 Cb -0.20 -2.53 0.52 0.00 -1.71 0.00 0.00 66.02 62.10 1xo3 s SER 96 CO -0.05 -1.03 1.43 1.07 1.20 0.00 0.00 173.24 175.86 1xo3 n THR 97 N 5.88 0.61 -2.45 6.45 5.66 0.13 -4.67 114.28 125.88 1xo3 n THR 97 Ca 0.17 -0.69 -0.40 0.00 -3.05 0.00 0.00 64.05 60.08 1xo3 n THR 97 Cb 0.44 0.52 -0.03 0.00 -1.55 0.00 0.00 70.33 69.71 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 -1.21 3.25 -0.18 1.09 1.43 -1.23 -4.74 118.68 117.08 1xo3 s LEU 98 Ca 0.37 -0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1xo3 s LEU 98 Cb 0.20 -2.56 -0.18 0.00 0.03 0.00 0.00 46.19 43.68 1xo3 s LEU 98 CO 0.27 -1.90 -0.04 1.57 0.23 0.00 0.00 176.35 176.49 1xo3 n HIS 99 N 9.99 0.00 0.01 0.29 -0.00 -1.26 -4.53 115.22 119.72 1xo3 n HIS 99 Ca 0.13 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.24 1xo3 n HIS 99 Cb 0.50 -0.82 -0.13 0.00 -0.12 0.00 0.00 29.99 29.42 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1xo3 h GLY 100 N 2.64 0.00 0.00 1.57 0.00 -2.02 -3.57 103.07 101.70 1xo3 h GLY 100 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1xo3 h GLY 100 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14