#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 1.96 0.01 7.33 0.00 -1.26 -4.82 121.76 124.98 1xo3 s ALA 2 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 1xo3 s ALA 2 Cb 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 23.12 22.18 1xo3 s ALA 2 CO 0.00 0.21 1.24 0.00 0.00 0.00 0.00 175.76 177.21 1xo3 h ALA 3 N 6.85 -0.38 -0.53 0.00 0.00 -1.96 -3.38 119.26 119.85 1xo3 h ALA 3 Ca -0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xo3 h ALA 3 Cb 1.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xo3 h ALA 3 CO 0.48 -0.54 0.00 -0.35 0.00 0.00 0.00 179.25 178.84 1xo3 n PRO 4 N -5.11 0.00 -3.64 0.00 -0.04 -1.26 -5.02 135.00 119.93 1xo3 n PRO 4 Ca -0.09 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1xo3 n PRO 4 Cb 0.26 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 1xo3 n PRO 4 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1xo3 s LEU 5 N -3.47 0.35 -0.03 1.53 0.05 -1.26 -4.98 118.68 110.88 1xo3 s LEU 5 Ca 0.00 -0.15 0.06 0.00 0.05 0.00 0.00 54.13 54.09 1xo3 s LEU 5 Cb 0.00 1.83 -0.01 0.00 -2.05 0.00 0.00 46.19 45.96 1xo3 s LEU 5 CO 0.00 -0.77 -0.21 0.00 -0.55 0.00 0.00 176.35 174.83 1xo3 s VAL 7 N -0.35 1.82 -0.17 0.00 -7.23 -0.84 -1.75 120.40 111.88 1xo3 s VAL 7 Ca 0.05 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1xo3 s VAL 7 Cb -0.09 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1xo3 s VAL 7 CO 0.00 -0.39 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.56 1xo3 s LYS 8 N -3.02 3.38 -0.21 4.82 2.20 0.71 -2.15 119.74 125.47 1xo3 s LYS 8 Ca 0.18 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 55.07 1xo3 s LYS 8 Cb -0.05 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 1xo3 s LYS 8 CO 0.07 0.05 0.01 0.08 -0.36 0.00 0.00 175.35 175.20 1xo3 s VAL 9 N 0.79 4.00 0.04 4.02 1.01 -0.64 0.27 120.40 129.88 1xo3 s VAL 9 Ca -0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1xo3 s VAL 9 Cb -0.15 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1xo3 s VAL 9 CO 0.01 0.42 0.15 -0.70 0.00 0.00 0.00 175.10 174.98 1xo3 s GLU 10 N 1.09 0.67 0.47 2.72 2.12 -0.50 0.88 118.70 126.16 1xo3 s GLU 10 Ca 0.03 -0.73 -0.14 0.00 0.36 0.00 0.00 54.97 54.49 1xo3 s GLU 10 Cb -0.14 0.27 -0.07 0.00 0.26 0.00 0.00 34.13 34.44 1xo3 s GLU 10 CO 0.02 -0.18 0.90 -0.59 -0.54 0.00 0.00 175.26 174.86 1xo3 s PHE 11 N -2.76 3.47 0.13 5.30 -0.71 -1.02 -1.77 117.98 120.63 1xo3 s PHE 11 Ca -0.04 1.29 0.00 0.00 -1.04 0.00 0.00 56.93 57.14 1xo3 s PHE 11 Cb -0.00 -2.65 0.00 0.00 -1.21 0.00 0.00 43.02 39.16 1xo3 s PHE 11 CO -0.05 -0.28 0.00 0.41 -1.34 0.00 0.00 175.22 173.96 1xo3 n GLY 12 N -1.52 -0.24 2.47 1.99 0.00 0.11 -4.74 105.19 103.26 1xo3 n GLY 12 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 1.68 4.66 2.50 -0.02 0.00 -1.02 -4.50 105.19 108.50 1xo3 n GLY 13 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 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 2.91 1.70 0.20 -0.02 0.00 -1.26 -3.41 105.19 105.31 1xo3 n GLY 14 Ca 0.66 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.54 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 0.01 1.32 0.00 4.61 0.00 -1.83 -2.71 119.26 120.66 1xo3 h ALA 15 Ca -0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1xo3 h ALA 15 Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xo3 h ALA 15 CO 0.52 0.41 -0.21 1.05 0.00 0.00 0.00 179.25 181.03 1xo3 h GLU 16 N 0.00 0.00 0.00 0.00 4.11 -1.89 -1.42 114.58 115.39 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 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1xo3 h GLU 16 CO 0.04 0.21 0.00 -0.07 0.07 0.00 0.00 179.01 179.26 1xo3 h LEU 17 N 0.00 0.00 0.00 3.06 3.38 -1.80 0.36 115.31 120.32 1xo3 h LEU 17 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xo3 h LEU 17 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xo3 h LEU 17 CO 0.03 0.00 -0.27 -0.07 0.09 0.00 0.00 178.44 178.22 1xo3 h LEU 18 N 0.00 0.00 -3.32 1.67 3.38 -1.41 -3.27 115.31 112.35 1xo3 h LEU 18 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xo3 h LEU 18 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xo3 h LEU 18 CO 0.00 0.25 0.01 0.49 0.09 0.00 0.00 178.44 179.27 1xo3 n PHE 19 N -3.15 1.15 0.00 1.13 3.72 0.95 -0.10 117.46 121.16 1xo3 n PHE 19 Ca 0.03 -0.93 0.00 0.00 -0.05 0.00 0.00 57.45 56.50 1xo3 n PHE 19 Cb 0.63 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.42 0.00 0.00 4.37 2.03 -0.84 -3.44 116.55 118.25 1xo3 n ASP 20 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1xo3 n ASP 20 Cb 0.96 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 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 1.49 3.63 0.27 0.00 0.64 -4.89 105.19 104.33 1xo3 n GLY 21 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.49 4.46 0.00 1.61 0.11 -1.22 -5.00 120.40 118.87 1xo3 s VAL 22 Ca 0.00 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1xo3 s VAL 22 Cb 0.00 -2.95 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 1xo3 s VAL 22 CO 0.00 0.53 0.00 0.29 -3.33 0.00 0.00 175.10 172.59 1xo3 n LYS 23 N 2.96 0.00 -3.05 1.54 5.02 -1.26 -4.41 118.16 118.96 1xo3 n LYS 23 Ca -0.18 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.72 1xo3 n LYS 23 Cb 0.53 0.00 -0.05 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 4.44 -0.15 1.97 2.20 -1.26 -2.43 119.74 124.50 1xo3 s LYS 24 Ca 0.00 0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1xo3 s LYS 24 Cb 0.00 -3.37 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1xo3 s LYS 24 CO 0.00 0.27 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.64 1xo3 s HIS 25 N 0.04 1.50 -0.07 4.03 5.65 0.25 -4.98 115.29 121.71 1xo3 s HIS 25 Ca 0.36 -0.93 -0.22 0.00 0.25 0.00 0.00 55.06 54.53 1xo3 s HIS 25 Cb -0.19 -1.22 -0.04 0.00 -1.18 0.00 0.00 32.58 29.95 1xo3 s HIS 25 CO 0.21 -0.57 0.64 -1.14 -0.65 0.00 0.00 174.74 173.22 1xo3 s GLN 26 N 1.70 4.41 -0.02 2.88 2.00 -1.26 -1.62 119.66 127.74 1xo3 s GLN 26 Ca 0.01 0.76 0.03 0.00 -2.00 0.00 0.00 55.36 54.16 1xo3 s GLN 26 Cb -0.15 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.23 1xo3 s GLN 26 CO -0.07 0.11 -0.10 0.54 -0.50 0.00 0.00 175.29 175.27 1xo3 s VAL 27 N 0.69 0.83 -0.21 1.34 0.11 -0.92 -5.00 120.40 117.24 1xo3 s VAL 27 Ca 0.34 -0.39 -0.10 0.00 -2.93 0.00 0.00 61.98 58.90 1xo3 s VAL 27 Cb -0.17 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1xo3 s VAL 27 CO 0.16 0.25 0.13 0.00 -3.33 0.00 0.00 175.10 172.31 1xo3 s ALA 28 N 0.13 3.62 0.15 1.54 0.00 -1.26 -1.99 121.76 123.95 1xo3 s ALA 28 Ca -0.02 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1xo3 s ALA 28 Cb -0.08 -2.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.80 1xo3 s ALA 28 CO 0.00 0.07 1.00 -0.51 0.00 0.00 0.00 175.76 176.33 1xo3 s LEU 29 N 0.53 4.51 0.43 0.00 2.01 -0.74 -4.91 118.68 120.52 1xo3 s LEU 29 Ca 0.07 1.90 -0.20 0.00 0.01 0.00 0.00 54.13 55.91 1xo3 s LEU 29 Cb -0.12 -3.60 -0.11 0.00 0.01 0.00 0.00 46.19 42.38 1xo3 s LEU 29 CO -0.00 -0.09 0.94 -2.84 1.01 0.00 0.00 176.35 175.37 1xo3 s PRO 30 N -0.24 4.20 -0.08 1.29 0.02 -1.26 -3.84 135.00 135.09 1xo3 s PRO 30 Ca 0.47 1.09 0.12 0.00 0.02 0.00 0.00 61.00 62.69 1xo3 s PRO 30 Cb -0.26 -2.19 0.48 0.00 0.02 0.00 0.00 34.50 32.55 1xo3 s PRO 30 CO 0.32 -0.03 1.33 0.41 -0.33 0.00 0.00 177.00 178.69 1xo3 n GLY 31 N -0.68 1.87 0.00 0.52 0.00 -1.26 -3.12 105.19 102.52 1xo3 n GLY 31 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1xo3 n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xo3 n GLN 32 N 0.64 0.00 -0.01 1.61 1.13 -1.26 -4.79 117.38 114.71 1xo3 n GLN 32 Ca 0.17 0.01 0.09 0.00 -1.94 0.00 0.00 57.00 55.33 1xo3 n GLN 32 Cb 0.64 -0.31 -0.14 0.00 0.11 0.00 0.00 30.24 30.54 1xo3 n GLN 32 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1xo3 n GLU 33 N -0.94 0.67 -3.27 -1.09 1.02 -1.26 -5.03 120.64 110.75 1xo3 n GLU 33 Ca 0.00 -0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 56.95 1xo3 n GLU 33 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1xo3 n GLU 33 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xo3 n GLU 34 N -1.95 -1.40 -0.39 3.49 1.02 -1.18 -4.87 120.64 115.36 1xo3 n GLU 34 Ca -0.01 1.29 0.04 0.00 -0.02 0.00 0.00 57.16 58.46 1xo3 n GLU 34 Cb 0.43 -4.76 0.18 0.00 -0.02 0.00 0.00 31.44 27.28 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 -1.99 2.68 -1.03 3.49 -0.04 -1.26 -4.08 135.00 132.77 1xo3 n PRO 35 Ca -0.09 -1.44 -0.21 0.00 -0.04 0.00 0.00 63.50 61.71 1xo3 n PRO 35 Cb 0.56 -1.77 0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.33 2.50 -1.02 0.54 5.03 -1.26 -4.73 117.44 118.83 1xo3 n TRP 36 Ca 0.13 -1.82 -0.33 0.00 3.03 0.00 0.00 57.50 58.51 1xo3 n TRP 36 Cb 0.64 -0.91 0.13 0.00 -1.03 0.00 0.00 31.31 30.13 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 -0.74 0.36 -0.14 -0.99 9.92 -1.26 -4.63 116.55 119.07 1xo3 n ASP 37 Ca 0.49 0.53 0.14 0.00 -0.53 0.00 0.00 54.79 55.42 1xo3 n ASP 37 Cb 1.27 -1.44 0.50 0.00 -0.64 0.00 0.00 41.12 40.80 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 -1.08 0.83 -0.04 0.53 1.08 -1.61 0.19 117.51 117.42 1xo3 h ILE 38 Ca -0.45 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 63.89 1xo3 h ILE 38 Cb 1.30 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1xo3 h ILE 38 CO 0.43 0.08 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.81 1xo3 h ARG 39 N 0.43 -0.11 -0.15 2.37 1.12 -0.13 0.44 114.38 118.34 1xo3 h ARG 39 Ca 0.34 0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 59.05 1xo3 h ARG 39 Cb 0.74 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.72 1xo3 h ARG 39 CO -0.11 -0.07 -0.60 -0.91 -3.11 0.00 0.00 179.97 175.17 1xo3 h ASN 40 N -0.11 0.58 0.35 -3.80 2.35 -1.29 -2.68 115.58 111.00 1xo3 h ASN 40 Ca 0.05 -0.33 -0.13 0.00 -0.55 0.00 0.00 56.30 55.33 1xo3 h ASN 40 Cb 0.17 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1xo3 h ASN 40 CO -0.11 1.05 -0.55 -0.07 -1.65 0.00 0.00 177.43 176.09 1xo3 h LEU 41 N 0.39 0.24 -1.01 1.61 -0.00 -1.12 -1.61 115.31 113.80 1xo3 h LEU 41 Ca -0.00 -0.13 0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1xo3 h LEU 41 Cb 1.15 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.68 1xo3 h LEU 41 CO 0.11 0.74 0.66 0.25 -0.00 0.00 0.00 178.44 180.20 1xo3 h LEU 42 N 0.16 1.08 -0.22 1.67 6.46 -0.72 0.19 115.31 123.93 1xo3 h LEU 42 Ca -0.00 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1xo3 h LEU 42 Cb 1.03 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 1xo3 h LEU 42 CO 0.08 0.73 0.05 0.58 -0.62 0.00 0.00 178.44 179.26 1xo3 h VAL 43 N 1.25 1.21 -0.48 1.05 2.07 -1.03 0.53 116.25 120.84 1xo3 h VAL 43 Ca 0.41 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1xo3 h VAL 43 Cb 0.05 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1xo3 h VAL 43 CO -0.14 0.22 0.22 -0.25 0.02 0.00 0.00 177.57 177.64 1xo3 h TRP 44 N 0.18 0.40 -0.44 1.57 2.91 -0.85 0.28 115.95 119.99 1xo3 h TRP 44 Ca 0.07 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.01 1xo3 h TRP 44 Cb 0.29 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 1xo3 h TRP 44 CO 0.01 0.18 -0.11 0.82 -1.03 0.00 0.00 178.44 178.31 1xo3 h ILE 45 N 0.43 1.27 0.36 2.65 2.04 -0.36 -1.09 117.51 122.82 1xo3 h ILE 45 Ca 0.22 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1xo3 h ILE 45 Cb 0.16 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1xo3 h ILE 45 CO -0.18 0.42 -0.17 0.50 0.00 0.00 0.00 178.15 178.72 1xo3 h LYS 46 N 0.69 -0.47 -0.00 2.37 3.64 0.53 0.30 116.57 123.63 1xo3 h LYS 46 Ca 0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1xo3 h LYS 46 Cb 0.65 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1xo3 h LYS 46 CO 0.04 -0.16 -0.47 1.63 -2.27 0.00 0.00 179.45 178.22 1xo3 n LYS 47 N -5.12 0.15 -0.00 1.90 5.02 0.94 -2.95 118.16 118.10 1xo3 n LYS 47 Ca -0.09 -0.09 -0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1xo3 n LYS 47 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1xo3 n LYS 47 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xo3 n ASN 48 N -1.35 2.64 0.08 4.39 4.05 -0.48 -4.85 115.26 119.76 1xo3 n ASN 48 Ca 0.07 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.87 1xo3 n ASN 48 Cb 0.34 -0.01 -0.15 0.00 1.23 0.00 0.00 39.78 41.19 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1xo3 h LEU 49 N -0.00 0.62 -8.65 1.20 3.38 -0.79 -3.44 115.31 107.63 1xo3 h LEU 49 Ca -0.01 -0.92 -0.52 0.00 0.09 0.00 0.00 57.88 56.52 1xo3 h LEU 49 Cb 1.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1xo3 h LEU 49 CO -0.00 1.61 1.36 -0.22 0.09 0.00 0.00 178.44 181.28 1xo3 s LEU 50 N -7.64 3.38 0.22 1.67 1.98 0.10 -3.93 118.68 114.47 1xo3 s LEU 50 Ca -0.13 0.79 0.17 0.00 -2.89 0.00 0.00 54.13 52.06 1xo3 s LEU 50 Cb 0.03 -2.90 0.02 0.00 0.66 0.00 0.00 46.19 44.01 1xo3 s LEU 50 CO 0.87 -2.19 1.25 0.11 -1.89 0.00 0.00 176.35 174.50 1xo3 h LYS 51 N 14.73 0.00 0.00 1.98 1.79 -0.80 -3.46 116.57 130.81 1xo3 h LYS 51 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1xo3 h LYS 51 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1xo3 h LYS 51 CO 1.14 0.37 0.00 -0.85 -1.08 0.00 0.00 179.45 179.03 1xo3 n GLU 52 N -3.08 2.83 -2.83 3.15 0.28 -1.25 -5.03 120.64 114.71 1xo3 n GLU 52 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.56 1xo3 n GLU 52 Cb 0.73 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.56 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 4.94 3.49 0.00 3.44 1.81 -1.26 -4.89 118.95 126.49 1xo3 s ARG 53 Ca 0.00 0.09 0.20 0.00 -1.72 0.00 0.00 55.73 54.30 1xo3 s ARG 53 Cb 0.00 -3.94 0.89 0.00 -0.45 0.00 0.00 34.95 31.44 1xo3 s ARG 53 CO 0.00 -1.25 1.65 -2.30 -0.68 0.00 0.00 175.30 172.71 1xo3 n PRO 54 N 7.18 0.04 0.00 3.54 -0.02 -1.26 -2.07 135.00 142.41 1xo3 n PRO 54 Ca 0.05 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1xo3 n PRO 54 Cb 0.48 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.87 1xo3 n PRO 54 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xo3 n GLU 55 N -1.47 0.52 0.01 -0.52 1.02 -1.26 -2.07 120.64 116.86 1xo3 n GLU 55 Ca 0.06 -0.27 0.12 0.00 -0.02 0.00 0.00 57.16 57.04 1xo3 n GLU 55 Cb 0.23 -1.49 0.17 0.00 -0.02 0.00 0.00 31.44 30.33 1xo3 n GLU 55 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xo3 n LEU 56 N -1.00 0.59 0.00 -4.62 4.77 -0.88 -4.89 117.00 110.97 1xo3 n LEU 56 Ca 0.10 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1xo3 n LEU 56 Cb 0.33 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1xo3 n LEU 56 CO 0.28 0.12 0.00 0.33 -1.33 0.00 0.00 177.39 176.79 1xo3 n PHE 57 N -1.60 -2.51 -1.78 -1.77 7.35 -0.88 -5.01 117.46 111.26 1xo3 n PHE 57 Ca 0.05 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.44 1xo3 n PHE 57 Cb 0.35 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.24 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 0.53 3.55 0.58 -2.13 -4.36 -1.25 -4.76 121.20 113.35 1xo3 s ILE 58 Ca 0.00 0.50 -0.20 0.00 -0.26 0.00 0.00 60.65 60.69 1xo3 s ILE 58 Cb 0.00 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.26 1xo3 s ILE 58 CO 0.00 -0.66 1.32 0.00 0.24 0.00 0.00 174.94 175.84 1xo3 s GLN 59 N -5.27 2.98 0.00 0.37 -2.07 -1.26 -4.77 119.66 109.65 1xo3 s GLN 59 Ca 0.58 2.13 -0.02 0.00 -1.82 0.00 0.00 55.36 56.23 1xo3 s GLN 59 Cb -0.12 -2.11 -0.09 0.00 -1.09 0.00 0.00 33.01 29.60 1xo3 s GLN 59 CO 0.53 -1.28 1.86 0.41 -1.32 0.00 0.00 175.29 175.49 1xo3 n GLY 60 N 0.74 1.99 2.05 2.60 0.00 -1.26 -3.38 105.19 107.94 1xo3 n GLY 60 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.22 -1.05 0.00 1.61 9.92 -1.26 -4.99 116.55 123.00 1xo3 n ASP 61 Ca 0.14 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 1xo3 n ASP 61 Cb 0.44 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 42.08 1xo3 n ASP 61 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1xo3 n SER 62 N -3.39 0.00 -3.88 -2.24 2.88 -1.22 -4.20 113.62 101.57 1xo3 n SER 62 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1xo3 n SER 62 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.23 0.01 0.47 2.46 -7.23 -1.26 -4.76 120.40 109.86 1xo3 s VAL 63 Ca 0.00 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1xo3 s VAL 63 Cb 0.00 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 35.04 1xo3 s VAL 63 CO 0.00 -0.06 0.66 0.00 -0.31 0.00 0.00 175.10 175.39 1xo3 s ARG 64 N -3.95 2.76 0.18 4.82 1.70 -1.26 -4.01 118.95 119.20 1xo3 s ARG 64 Ca 0.15 -0.94 0.12 0.00 -0.47 0.00 0.00 55.73 54.59 1xo3 s ARG 64 Cb -0.01 -2.63 0.66 0.00 -0.57 0.00 0.00 34.95 32.40 1xo3 s ARG 64 CO 0.04 -0.43 1.37 -2.30 -1.08 0.00 0.00 175.30 172.90 1xo3 n PRO 65 N -2.07 0.08 -0.05 3.89 -0.02 -1.26 -2.58 135.00 133.00 1xo3 n PRO 65 Ca 0.06 0.58 -0.17 0.00 -2.02 0.00 0.00 63.50 61.95 1xo3 n PRO 65 Cb 0.59 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1xo3 n PRO 65 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xo3 h GLY 66 N 0.02 0.09 -6.21 -1.23 0.00 -1.96 -3.46 103.07 90.32 1xo3 h GLY 66 Ca 0.00 -0.23 -0.61 0.00 0.00 0.00 0.00 47.33 46.49 1xo3 h GLY 66 CO 0.00 0.20 -0.52 -0.42 0.00 0.00 0.00 176.54 175.80 1xo3 s ILE 67 N -2.31 5.14 -0.03 2.60 1.01 -1.06 -0.62 121.20 125.92 1xo3 s ILE 67 Ca -0.20 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1xo3 s ILE 67 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1xo3 s ILE 67 CO 0.70 0.45 0.16 -0.76 0.00 0.00 0.00 174.94 175.49 1xo3 s LEU 68 N 0.37 4.31 -0.11 2.97 1.43 0.13 -4.14 118.68 123.64 1xo3 s LEU 68 Ca 0.06 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1xo3 s LEU 68 Cb -0.12 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1xo3 s LEU 68 CO -0.01 0.29 -0.21 -0.69 0.23 0.00 0.00 176.35 175.97 1xo3 s VAL 69 N -1.25 1.87 -0.32 -1.59 1.01 -1.26 0.36 120.40 119.23 1xo3 s VAL 69 Ca 0.24 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1xo3 s VAL 69 Cb -0.12 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1xo3 s VAL 69 CO 0.15 0.52 0.70 -0.76 0.00 0.00 0.00 175.10 175.71 1xo3 s LEU 70 N 0.66 4.14 -0.37 3.92 1.43 0.08 -1.94 118.68 126.60 1xo3 s LEU 70 Ca -0.12 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 1xo3 s LEU 70 Cb -0.16 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.14 1xo3 s LEU 70 CO 0.03 -0.56 0.64 -0.63 0.23 0.00 0.00 176.35 176.05 1xo3 s ILE 71 N 2.78 4.88 0.00 -0.59 -1.09 0.10 -1.56 121.20 125.73 1xo3 s ILE 71 Ca 0.28 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1xo3 s ILE 71 Cb -0.14 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1xo3 s ILE 71 CO 0.13 -0.35 0.00 0.59 -1.23 0.00 0.00 174.94 174.08 1xo3 n ASN 72 N 6.08 0.00 0.00 3.58 5.03 -0.75 -1.11 115.26 128.09 1xo3 n ASN 72 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1xo3 n ASN 72 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1xo3 n ASP 73 N 3.56 0.00 -4.27 6.41 2.03 -1.25 -3.04 116.55 119.98 1xo3 n ASP 73 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 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 1.63 -0.24 -1.67 0.00 -0.27 -5.00 121.76 116.22 1xo3 s ALA 74 Ca 0.00 -1.83 -0.28 0.00 0.00 0.00 0.00 51.96 49.85 1xo3 s ALA 74 Cb 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 1xo3 s ALA 74 CO 0.00 -0.49 2.01 -0.51 0.00 0.00 0.00 175.76 176.78 1xo3 s ASP 75 N -3.29 5.75 0.23 0.00 1.11 -1.26 0.02 116.67 119.22 1xo3 s ASP 75 Ca 0.38 1.74 -0.09 0.00 0.18 0.00 0.00 52.55 54.75 1xo3 s ASP 75 Cb 0.07 -2.52 0.36 0.00 1.07 0.00 0.00 42.92 41.90 1xo3 s ASP 75 CO 0.14 -1.75 1.65 4.11 1.18 0.00 0.00 175.17 180.49 1xo3 h TRP 76 N 13.66 -0.06 0.00 4.23 0.09 -1.71 -2.03 115.95 130.13 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 1.21 0.13 -0.00 0.00 0.08 0.00 0.00 29.16 30.58 1xo3 h TRP 76 CO 0.94 -0.20 -0.09 1.05 0.09 0.00 0.00 178.44 180.23 1xo3 h GLU 77 N 0.11 0.00 0.00 0.12 4.11 -1.90 0.40 114.58 117.42 1xo3 h GLU 77 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1xo3 h GLU 77 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1xo3 h GLU 77 CO -0.60 0.09 -0.66 1.28 0.07 0.00 0.00 179.01 179.20 1xo3 n LEU 78 N -3.53 0.60 -0.07 3.06 4.77 -0.78 -4.28 117.00 116.77 1xo3 n LEU 78 Ca -0.02 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1xo3 n LEU 78 Cb 0.23 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1xo3 n LEU 78 CO 0.29 0.05 -0.98 0.18 -1.33 0.00 0.00 177.39 175.59 1xo3 n LEU 79 N -1.79 0.35 0.00 2.23 4.32 -0.05 -5.01 117.00 117.04 1xo3 n LEU 79 Ca 0.04 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 1xo3 n LEU 79 Cb 0.39 0.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1xo3 n LEU 79 CO 0.37 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.56 1xo3 n GLY 80 N 2.17 0.82 7.00 -0.72 0.00 -0.16 -5.06 105.19 109.24 1xo3 n GLY 80 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.38 -3.35 120.64 118.44 1xo3 n GLU 81 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1xo3 n GLU 81 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 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 -1.44 -3.37 -1.84 -0.00 -1.89 -1.60 115.31 105.17 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 0.74 -0.14 0.00 -0.00 0.00 0.00 40.66 41.26 1xo3 h LEU 82 CO 0.00 -0.29 0.30 -0.90 -0.00 0.00 0.00 178.44 177.56 1xo3 n ASP 83 N -5.46 4.12 -4.70 0.17 5.75 -1.21 0.49 116.55 115.70 1xo3 n ASP 83 Ca 0.09 -3.06 -0.43 0.00 -0.01 0.00 0.00 54.79 51.37 1xo3 n ASP 83 Cb 0.39 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.72 1xo3 n ASP 83 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1xo3 n TYR 84 N -0.26 2.60 1.09 2.11 4.01 -0.60 -4.85 117.16 121.26 1xo3 n TYR 84 Ca 0.37 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 1xo3 n TYR 84 Cb 1.26 -2.63 0.01 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 3.73 1.09 -1.33 -0.72 0.00 -1.26 -4.09 117.38 114.81 1xo3 n GLN 85 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 57.00 57.16 1xo3 n GLN 85 Cb 0.33 -1.45 -0.04 0.00 0.00 0.00 0.00 30.24 29.08 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 -0.05 -1.22 0.00 2.61 7.99 -1.26 -4.95 117.00 120.13 1xo3 n LEU 86 Ca 0.01 2.33 -0.26 0.00 -0.01 0.00 0.00 56.01 58.08 1xo3 n LEU 86 Cb 0.24 -2.65 -0.06 0.00 -0.11 0.00 0.00 43.42 40.83 1xo3 n LEU 86 CO 0.01 -1.25 -0.18 0.00 -1.51 0.00 0.00 177.39 174.45 1xo3 n GLN 87 N -3.21 0.72 -3.11 3.23 3.00 -1.26 -5.11 117.38 111.64 1xo3 n GLN 87 Ca -0.04 -3.29 -0.39 0.00 -0.01 0.00 0.00 57.00 53.26 1xo3 n GLN 87 Cb 0.51 1.38 -0.05 0.00 0.00 0.00 0.00 30.24 32.08 1xo3 n GLN 87 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1xo3 s ASP 88 N -3.43 6.87 -0.92 1.08 -4.77 -1.26 -3.87 116.67 110.36 1xo3 s ASP 88 Ca 0.11 1.05 -0.03 0.00 -3.30 0.00 0.00 52.55 50.38 1xo3 s ASP 88 Cb 0.01 -2.38 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 1xo3 s ASP 88 CO 0.08 -0.13 0.37 0.00 0.70 0.00 0.00 175.17 176.18 1xo3 n GLN 89 N 4.04 -2.94 -2.09 2.11 1.13 -0.72 -4.96 117.38 113.96 1xo3 n GLN 89 Ca -0.02 0.54 -0.42 0.00 -1.94 0.00 0.00 57.00 55.15 1xo3 n GLN 89 Cb 0.51 -4.63 -0.03 0.00 0.11 0.00 0.00 30.24 26.20 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 -2.83 6.73 -0.69 1.08 1.01 -1.25 -4.87 116.67 115.85 1xo3 s ASP 90 Ca 0.18 2.16 -0.19 0.00 0.71 0.00 0.00 52.55 55.41 1xo3 s ASP 90 Cb -0.08 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.42 1xo3 s ASP 90 CO 0.23 -0.87 0.83 -0.44 0.21 0.00 0.00 175.17 175.13 1xo3 s SER 91 N 2.90 6.31 -0.46 0.27 0.01 -1.17 -0.21 113.70 121.35 1xo3 s SER 91 Ca 0.70 -1.57 -0.20 0.00 1.31 0.00 0.00 55.95 56.18 1xo3 s SER 91 Cb -0.32 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1xo3 s SER 91 CO 0.27 -1.12 0.62 -0.63 0.41 0.00 0.00 173.24 172.79 1xo3 s ILE 92 N 2.72 4.86 -0.13 1.44 -1.09 0.14 -1.81 121.20 127.33 1xo3 s ILE 92 Ca 0.18 -0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1xo3 s ILE 92 Cb -0.18 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1xo3 s ILE 92 CO 0.03 -0.66 -0.17 -0.22 -1.23 0.00 0.00 174.94 172.70 1xo3 s LEU 93 N 2.71 2.46 -0.36 2.97 0.20 -0.60 -1.41 118.68 124.65 1xo3 s LEU 93 Ca 0.19 -0.45 -0.14 0.00 0.69 0.00 0.00 54.13 54.42 1xo3 s LEU 93 Cb -0.16 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 1xo3 s LEU 93 CO 0.16 0.13 0.31 -0.36 -0.29 0.00 0.00 176.35 176.30 1xo3 s PHE 94 N 0.56 3.22 -0.29 5.38 0.40 -0.73 -0.74 117.98 125.78 1xo3 s PHE 94 Ca -0.10 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1xo3 s PHE 94 Cb -0.16 -2.60 0.07 0.00 0.51 0.00 0.00 43.02 40.83 1xo3 s PHE 94 CO 0.04 -0.45 -0.04 0.42 0.70 0.00 0.00 175.22 175.89 1xo3 s ILE 95 N 1.87 2.46 -0.27 0.64 1.09 0.16 0.07 121.20 127.22 1xo3 s ILE 95 Ca 0.09 -1.72 -0.29 0.00 -1.10 0.00 0.00 60.65 57.63 1xo3 s ILE 95 Cb -0.17 -2.51 -0.00 0.00 -1.06 0.00 0.00 42.46 38.71 1xo3 s ILE 95 CO 0.11 -0.18 1.34 -0.55 -0.10 0.00 0.00 174.94 175.56 1xo3 s SER 96 N 1.15 6.67 0.00 3.58 0.15 -1.22 0.18 113.70 124.21 1xo3 s SER 96 Ca -0.04 1.33 0.23 0.00 0.70 0.00 0.00 55.95 58.18 1xo3 s SER 96 Cb -0.20 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.16 1xo3 s SER 96 CO -0.04 -1.06 1.48 1.07 1.20 0.00 0.00 173.24 175.89 1xo3 n THR 97 N 6.11 0.24 -2.04 6.45 5.66 0.21 -4.21 114.28 126.70 1xo3 n THR 97 Ca 0.15 -0.49 -0.34 0.00 -3.05 0.00 0.00 64.05 60.32 1xo3 n THR 97 Cb 0.46 0.78 -0.04 0.00 -1.55 0.00 0.00 70.33 69.98 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 -1.67 3.24 -1.84 1.09 1.43 -1.23 -2.74 118.68 116.95 1xo3 s LEU 98 Ca 0.34 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1xo3 s LEU 98 Cb 0.20 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1xo3 s LEU 98 CO 0.30 -2.53 0.00 1.41 0.23 0.00 0.00 176.35 175.76 1xo3 n HIS 99 N 13.27 -0.80 -4.35 0.29 8.25 -1.26 -4.98 115.22 125.64 1xo3 n HIS 99 Ca 0.28 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.54 1xo3 n HIS 99 Cb 0.50 -3.80 -0.13 0.00 1.12 0.00 0.00 29.99 27.68 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xo3 s GLY 100 N -2.20 0.89 0.00 -1.41 0.00 -1.11 -5.16 107.32 98.33 1xo3 s GLY 100 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1xo3 s GLY 100 CO 0.00 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.79