#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dco s ARG 7 N 0.00 3.08 0.05 -1.40 3.52 -1.26 -4.61 118.95 118.34 1dco s ARG 7 Ca 0.00 1.57 -0.04 0.00 -0.13 0.00 0.00 55.73 57.14 1dco s ARG 7 Cb 0.00 -4.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 1dco s ARG 7 CO 0.00 -2.16 0.04 1.28 -0.81 0.00 0.00 175.30 173.66 1dco n LEU 8 N 11.53 -0.36 -4.95 -0.88 4.77 -1.03 -4.98 117.00 121.11 1dco n LEU 8 Ca 0.26 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 56.14 1dco n LEU 8 Cb 0.47 -0.15 0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1dco n LEU 8 CO 0.68 -0.60 0.62 -0.94 -1.33 0.00 0.00 177.39 175.82 1dco s SER 9 N -0.16 4.44 0.26 -1.43 1.04 -1.26 -4.84 113.70 111.75 1dco s SER 9 Ca 0.10 0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.72 1dco s SER 9 Cb -0.12 -0.64 0.34 0.00 0.10 0.00 0.00 66.02 65.70 1dco s SER 9 CO 0.10 -1.82 1.62 0.00 0.98 0.00 0.00 173.24 174.12 1dco h ALA 10 N -0.69 0.97 0.23 5.32 0.00 -2.00 0.15 119.26 123.24 1dco h ALA 10 Ca -0.42 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1dco h ALA 10 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dco h ALA 10 CO 0.50 0.67 -0.11 0.93 0.00 0.00 0.00 179.25 181.23 1dco h GLU 11 N 0.19 -0.30 -0.15 0.00 5.08 -2.00 -3.20 114.58 114.20 1dco h GLU 11 Ca 0.01 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1dco h GLU 11 Cb 0.97 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1dco h GLU 11 CO 0.08 0.06 -0.11 0.93 -1.00 0.00 0.00 179.01 178.97 1dco h GLU 12 N -0.91 -0.02 -0.92 2.33 5.08 -1.89 -1.79 114.58 116.45 1dco h GLU 12 Ca -0.03 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.55 1dco h GLU 12 Cb 0.50 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.58 1dco h GLU 12 CO 0.05 -0.02 -0.05 0.00 -1.00 0.00 0.00 179.01 178.00 1dco h ARG 13 N -0.02 0.03 -0.78 2.33 3.08 -0.82 -1.09 114.38 117.11 1dco h ARG 13 Ca 0.02 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1dco h ARG 13 Cb 0.09 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1dco h ARG 13 CO -0.15 0.02 0.51 -0.44 -1.07 0.00 0.00 179.97 178.84 1dco h ASP 14 N 0.03 0.89 1.07 7.04 3.32 -1.34 0.37 116.42 127.80 1dco h ASP 14 Ca 0.51 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1dco h ASP 14 Cb 0.95 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1dco h ASP 14 CO -0.87 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 177.30 1dco n GLN 15 N -4.54 0.11 -0.02 3.56 1.13 -0.44 -4.21 117.38 112.96 1dco n GLN 15 Ca 0.08 0.15 -0.07 0.00 -1.94 0.00 0.00 57.00 55.22 1dco n GLN 15 Cb 0.02 -1.64 -0.02 0.00 0.11 0.00 0.00 30.24 28.70 1dco n GLN 15 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1dco n LEU 16 N -1.84 1.10 -0.34 1.08 4.77 -0.88 -4.73 117.00 116.16 1dco n LEU 16 Ca 0.06 0.17 0.32 0.00 -0.03 0.00 0.00 56.01 56.52 1dco n LEU 16 Cb 0.34 -0.40 0.66 0.00 -2.33 0.00 0.00 43.42 41.69 1dco n LEU 16 CO 0.26 -0.21 1.28 -0.07 -1.33 0.00 0.00 177.39 177.32 1dco h LEU 17 N -0.37 0.17 0.00 2.23 3.38 -0.50 -3.21 115.31 117.02 1dco h LEU 17 Ca -0.12 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1dco h LEU 17 Cb 0.77 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1dco h LEU 17 CO -0.07 0.01 0.00 -2.65 0.09 0.00 0.00 178.44 175.82 1dco n PRO 18 N -4.37 0.00 -0.26 1.13 -0.02 -1.26 0.32 135.00 130.55 1dco n PRO 18 Ca 0.27 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 1dco n PRO 18 Cb 1.15 -0.62 0.19 0.00 -0.02 0.00 0.00 33.50 34.21 1dco n PRO 18 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1dco h ASN 19 N 0.00 0.13 -0.27 2.55 4.21 -1.91 1.57 115.58 121.85 1dco h ASN 19 Ca 0.00 0.13 -0.17 0.00 1.21 0.00 0.00 56.30 57.48 1dco h ASN 19 Cb 0.00 0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1dco h ASN 19 CO 0.00 0.01 -0.46 -0.07 -1.29 0.00 0.00 177.43 175.63 1dco h LEU 20 N 0.34 0.91 -0.03 1.61 3.38 -1.41 -1.37 115.31 118.74 1dco h LEU 20 Ca 0.43 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1dco h LEU 20 Cb 0.71 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1dco h LEU 20 CO -0.48 1.22 -0.11 0.03 0.09 0.00 0.00 178.44 179.20 1dco h ARG 21 N 0.67 -0.16 -0.82 1.13 3.08 0.85 -1.04 114.38 118.08 1dco h ARG 21 Ca 0.04 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.26 1dco h ARG 21 Cb 1.04 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.07 1dco h ARG 21 CO 0.10 -0.11 0.54 0.00 -1.07 0.00 0.00 179.97 179.44 1dco h ALA 22 N 0.83 2.06 0.00 0.04 0.00 0.24 -2.53 119.26 119.89 1dco h ALA 22 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dco h ALA 22 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1dco h ALA 22 CO -0.13 -0.29 -0.22 -0.39 0.00 0.00 0.00 179.25 178.23 1dco h VAL 23 N 0.49 0.00 0.00 0.00 -1.51 -0.19 -3.47 116.25 111.57 1dco h VAL 23 Ca 0.41 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1dco h VAL 23 Cb 0.88 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1dco h VAL 23 CO -0.16 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.79 1dco n GLY 24 N 1.26 0.34 3.73 5.19 0.00 -0.86 -5.09 105.19 109.76 1dco n GLY 24 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1dco n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dco s TRP 25 N -1.20 3.79 0.18 1.61 0.52 -0.50 -4.72 118.94 118.62 1dco s TRP 25 Ca 0.00 1.74 0.10 0.00 0.02 0.00 0.00 56.10 57.96 1dco s TRP 25 Cb 0.00 -3.03 -0.04 0.00 -1.15 0.00 0.00 33.47 29.25 1dco s TRP 25 CO 0.00 0.19 -0.22 -0.80 0.02 0.00 0.00 176.95 176.15 1dco s ASN 26 N 0.09 3.14 -0.05 2.95 0.01 -0.10 -4.11 114.94 116.88 1dco s ASN 26 Ca 0.46 -0.86 -0.14 0.00 -0.71 0.00 0.00 52.86 51.61 1dco s ASN 26 Cb -0.23 -0.22 -0.05 0.00 0.41 0.00 0.00 41.25 41.17 1dco s ASN 26 CO 0.29 0.07 0.37 -1.61 -1.51 0.00 0.00 177.10 174.71 1dco s GLU 27 N -2.68 3.99 -0.00 -0.60 2.02 -1.26 0.12 118.70 120.29 1dco s GLU 27 Ca 0.18 0.32 -0.21 0.00 0.02 0.00 0.00 54.97 55.28 1dco s GLU 27 Cb -0.07 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 1dco s GLU 27 CO 0.08 0.55 0.60 -0.51 0.02 0.00 0.00 175.26 176.01 1dco s LEU 28 N -0.59 4.42 -0.07 1.80 1.43 0.47 -4.94 118.68 121.21 1dco s LEU 28 Ca 0.22 1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 54.22 1dco s LEU 28 Cb -0.15 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1dco s LEU 28 CO 0.11 0.10 0.88 -1.61 0.23 0.00 0.00 176.35 176.05 1dco s GLU 29 N -0.19 4.46 0.00 1.70 2.02 -1.26 -3.29 118.70 122.14 1dco s GLU 29 Ca 0.31 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.49 1dco s GLU 29 Cb -0.18 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.56 1dco s GLU 29 CO 0.17 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1dco n GLY 30 N 3.09 3.06 3.15 -1.39 0.00 -1.26 -5.04 105.19 106.79 1dco n GLY 30 Ca 0.04 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1dco n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dco s ARG 31 N 0.00 0.66 -1.26 1.61 1.70 -1.21 -5.07 118.95 115.39 1dco s ARG 31 Ca 0.00 -0.77 -0.19 0.00 -0.47 0.00 0.00 55.73 54.30 1dco s ARG 31 Cb 0.00 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1dco s ARG 31 CO 0.00 -0.18 1.85 -3.47 -1.08 0.00 0.00 175.30 172.42 1dco n ASP 32 N 0.58 4.18 -3.66 -2.89 2.03 -1.26 -4.09 116.55 111.44 1dco n ASP 32 Ca -0.18 -2.84 -0.15 0.00 0.52 0.00 0.00 54.79 52.15 1dco n ASP 32 Cb 0.59 -1.71 -0.07 0.00 -0.72 0.00 0.00 41.12 39.22 1dco n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dco s ALA 33 N 6.13 -1.15 0.17 -1.67 0.00 -1.26 -2.44 121.76 121.54 1dco s ALA 33 Ca 0.58 0.63 0.06 0.00 0.00 0.00 0.00 51.96 53.23 1dco s ALA 33 Cb 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1dco s ALA 33 CO 0.08 -0.35 0.04 0.96 0.00 0.00 0.00 175.76 176.50 1dco s ILE 34 N -1.60 3.98 0.04 0.00 -4.36 -0.31 -0.40 121.20 118.55 1dco s ILE 34 Ca -0.11 -1.29 -0.05 0.00 -0.26 0.00 0.00 60.65 58.94 1dco s ILE 34 Cb -0.02 -3.01 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 1dco s ILE 34 CO 0.04 -0.10 0.09 0.12 0.24 0.00 0.00 174.94 175.33 1dco s PHE 35 N -1.72 0.23 -0.24 1.37 2.19 0.33 -1.47 117.98 118.68 1dco s PHE 35 Ca 0.28 -0.55 -0.27 0.00 0.33 0.00 0.00 56.93 56.72 1dco s PHE 35 Cb -0.10 -0.16 0.12 0.00 -1.31 0.00 0.00 43.02 41.57 1dco s PHE 35 CO 0.20 -0.37 1.00 0.21 1.83 0.00 0.00 175.22 178.10 1dco s LYS 36 N -2.72 0.56 -0.22 10.12 2.20 -0.38 -0.92 119.74 128.37 1dco s LYS 36 Ca -0.04 0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1dco s LYS 36 Cb -0.00 0.27 0.03 0.00 -1.51 0.00 0.00 37.83 36.61 1dco s LYS 36 CO -0.05 -0.11 -0.11 1.14 -0.36 0.00 0.00 175.35 175.86 1dco s GLN 37 N -0.23 2.85 0.10 4.03 -2.07 -1.26 0.14 119.66 123.22 1dco s GLN 37 Ca 0.01 -0.95 -0.09 0.00 -1.82 0.00 0.00 55.36 52.51 1dco s GLN 37 Cb -0.03 -2.83 -0.06 0.00 -1.09 0.00 0.00 33.01 29.00 1dco s GLN 37 CO -0.03 -0.34 0.41 -0.06 -1.32 0.00 0.00 175.29 173.95 1dco s PHE 38 N 1.29 3.56 -0.09 9.60 0.40 0.32 -4.92 117.98 128.15 1dco s PHE 38 Ca 0.01 0.77 0.01 0.00 -0.60 0.00 0.00 56.93 57.12 1dco s PHE 38 Cb -0.16 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.24 1dco s PHE 38 CO -0.07 0.49 -0.10 -1.58 0.70 0.00 0.00 175.22 174.66 1dco s HIS 39 N -1.47 1.44 0.46 0.36 2.46 -1.26 0.47 115.29 117.75 1dco s HIS 39 Ca 0.35 -0.63 0.05 0.00 0.47 0.00 0.00 55.06 55.31 1dco s HIS 39 Cb -0.13 -1.13 -0.03 0.00 -0.13 0.00 0.00 32.58 31.15 1dco s HIS 39 CO 0.19 -0.39 0.13 -0.06 -2.47 0.00 0.00 174.74 172.14 1dco s PHE 40 N 1.19 2.25 0.05 3.88 0.40 0.14 -5.01 117.98 120.88 1dco s PHE 40 Ca -0.05 -0.74 0.16 0.00 -0.60 0.00 0.00 56.93 55.70 1dco s PHE 40 Cb -0.14 -1.83 0.33 0.00 0.51 0.00 0.00 43.02 41.89 1dco s PHE 40 CO -0.02 0.16 1.57 -0.22 0.70 0.00 0.00 175.22 177.40 1dco h LYS 41 N 1.38 0.00 0.00 0.44 3.64 -1.92 -3.45 116.57 116.65 1dco h LYS 41 Ca -0.42 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.90 1dco h LYS 41 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1dco h LYS 41 CO 0.72 0.51 0.03 -0.40 -2.27 0.00 0.00 179.45 178.04 1dco n ASP 42 N -3.41 -0.75 0.09 4.20 5.68 -1.26 -5.00 116.55 116.10 1dco n ASP 42 Ca 0.01 -1.70 0.01 0.00 -0.50 0.00 0.00 54.79 52.60 1dco n ASP 42 Cb 0.65 1.30 -0.03 0.00 -1.14 0.00 0.00 41.12 41.90 1dco n ASP 42 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1dco h PHE 43 N 1.40 0.00 0.17 2.11 3.57 -1.93 -2.62 116.94 119.65 1dco h PHE 43 Ca -0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1dco h PHE 43 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1dco h PHE 43 CO 0.00 0.58 -0.08 -0.97 -2.23 0.00 0.00 178.31 175.61 1dco h ASN 44 N 0.00 -0.20 -0.28 0.41 -0.73 -1.96 1.82 115.58 114.64 1dco h ASN 44 Ca -0.07 -0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 1dco h ASN 44 Cb 1.50 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 40.13 1dco h ASN 44 CO 0.06 -0.08 0.06 0.03 -0.37 0.00 0.00 177.43 177.13 1dco h ARG 45 N -0.29 0.47 -0.12 6.67 3.08 -1.96 0.38 114.38 122.60 1dco h ARG 45 Ca -0.02 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1dco h ARG 45 Cb 0.23 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1dco h ARG 45 CO 0.04 0.56 -0.12 0.00 -1.07 0.00 0.00 179.97 179.38 1dco h ALA 46 N 0.88 -0.03 -0.20 0.04 0.00 -1.06 0.16 119.26 119.05 1dco h ALA 46 Ca 0.09 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1dco h ALA 46 Cb 0.32 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dco h ALA 46 CO 0.00 -0.57 -0.18 0.35 0.00 0.00 0.00 179.25 178.85 1dco h PHE 47 N -0.15 0.38 -0.71 0.00 3.57 0.31 0.40 116.94 120.74 1dco h PHE 47 Ca 0.08 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1dco h PHE 47 Cb 0.26 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1dco h PHE 47 CO -0.23 0.52 0.29 0.78 -2.23 0.00 0.00 178.31 177.44 1dco h GLY 48 N 0.92 1.12 0.97 2.40 0.00 0.73 -1.52 103.07 107.69 1dco h GLY 48 Ca 0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1dco h GLY 48 CO 0.03 0.55 -0.22 -2.75 0.00 0.00 0.00 176.54 174.16 1dco h PHE 49 N 1.03 -0.57 -1.00 5.60 3.57 0.01 -2.56 116.94 123.01 1dco h PHE 49 Ca 0.24 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.95 1dco h PHE 49 Cb 0.18 0.19 -0.11 0.00 2.79 0.00 0.00 35.95 39.01 1dco h PHE 49 CO 0.02 -0.33 0.62 0.52 -2.23 0.00 0.00 178.31 176.90 1dco h MET 50 N -0.66 0.60 0.89 1.11 2.86 -0.46 -2.15 114.93 117.13 1dco h MET 50 Ca -0.06 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1dco h MET 50 Cb 0.49 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.02 1dco h MET 50 CO 0.10 0.40 -0.43 1.15 1.06 0.00 0.00 176.91 179.20 1dco h THR 51 N 0.62 0.02 -0.93 2.22 2.02 -0.94 0.10 112.91 116.02 1dco h THR 51 Ca 0.59 -0.12 0.14 0.00 0.77 0.00 0.00 66.41 67.79 1dco h THR 51 Cb 1.11 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 1dco h THR 51 CO -0.37 0.00 0.55 0.03 0.37 0.00 0.00 175.52 176.10 1dco h ARG 52 N -1.31 0.79 0.02 6.66 3.08 -1.11 0.18 114.38 122.69 1dco h ARG 52 Ca -0.12 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1dco h ARG 52 Cb 0.91 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1dco h ARG 52 CO 0.20 0.52 -0.01 0.28 -1.07 0.00 0.00 179.97 179.89 1dco h VAL 53 N 0.81 1.02 -0.89 2.04 2.07 -1.35 -1.29 116.25 118.66 1dco h VAL 53 Ca 0.49 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 68.00 1dco h VAL 53 Cb 0.60 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1dco h VAL 53 CO -0.31 0.03 0.57 0.00 0.02 0.00 0.00 177.57 177.88 1dco h ALA 54 N 0.91 1.64 -0.62 1.67 0.00 0.79 0.68 119.26 124.32 1dco h ALA 54 Ca -0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1dco h ALA 54 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1dco h ALA 54 CO 0.00 0.18 0.34 -0.07 0.00 0.00 0.00 179.25 179.71 1dco h LEU 55 N 0.88 0.51 -0.10 0.00 3.38 -0.25 0.25 115.31 119.98 1dco h LEU 55 Ca 0.41 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.28 1dco h LEU 55 Cb 0.40 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1dco h LEU 55 CO -0.17 0.34 -0.43 1.56 0.09 0.00 0.00 178.44 179.82 1dco h GLN 56 N 0.64 0.47 -0.66 1.13 1.08 0.03 -2.04 115.11 115.76 1dco h GLN 56 Ca 0.28 -0.37 0.14 0.00 -1.45 0.00 0.00 58.65 57.25 1dco h GLN 56 Cb 0.16 0.07 -0.10 0.00 -0.05 0.00 0.00 27.48 27.56 1dco h GLN 56 CO -0.17 1.00 0.07 0.00 -0.95 0.00 0.00 178.83 178.78 1dco h ALA 57 N 0.47 0.74 -0.39 3.87 0.00 0.85 0.64 119.26 125.44 1dco h ALA 57 Ca -0.02 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1dco h ALA 57 Cb 1.07 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1dco h ALA 57 CO 0.09 -0.37 -0.01 0.93 0.00 0.00 0.00 179.25 179.90 1dco h GLU 58 N 0.18 0.70 -0.60 0.00 4.39 -0.99 0.27 114.58 118.54 1dco h GLU 58 Ca 0.35 -0.23 0.12 0.00 0.34 0.00 0.00 59.36 59.95 1dco h GLU 58 Cb 0.58 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.07 1dco h GLU 58 CO -0.51 0.80 0.02 -0.22 -1.16 0.00 0.00 179.01 177.94 1dco h LYS 59 N 0.52 0.14 0.04 2.33 3.64 -0.17 -2.75 116.57 120.32 1dco h LYS 59 Ca 0.11 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.25 1dco h LYS 59 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1dco h LYS 59 CO 0.02 0.09 -1.13 -0.07 -2.27 0.00 0.00 179.45 176.09 1dco h LEU 60 N 0.14 0.12 -0.99 5.20 3.38 -0.99 -3.48 115.31 118.69 1dco h LEU 60 Ca 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1dco h LEU 60 Cb 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1dco h LEU 60 CO -0.49 1.11 0.00 -0.67 0.09 0.00 0.00 178.44 178.48 1dco n ASP 61 N -3.38 -1.96 -3.57 -0.43 -0.08 0.88 -5.04 116.55 102.97 1dco n ASP 61 Ca -0.04 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.98 1dco n ASP 61 Cb 0.97 -0.49 -0.16 0.00 2.34 0.00 0.00 41.12 43.79 1dco n ASP 61 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 1dco s HIS 62 N -2.98 0.19 0.02 -0.67 2.46 -0.65 -5.04 115.29 108.62 1dco s HIS 62 Ca 0.00 -0.51 -0.02 0.00 0.47 0.00 0.00 55.06 55.00 1dco s HIS 62 Cb 0.00 -0.75 -0.04 0.00 -0.13 0.00 0.00 32.58 31.66 1dco s HIS 62 CO 0.00 -0.66 0.20 -1.01 -2.47 0.00 0.00 174.74 170.80 1dco s HIS 63 N 2.14 3.54 0.47 3.88 3.76 -1.26 -4.50 115.29 123.32 1dco s HIS 63 Ca 0.05 0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 55.27 1dco s HIS 63 Cb -0.16 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1dco s HIS 63 CO -0.21 0.62 0.75 -1.25 -0.85 0.00 0.00 174.74 173.80 1dco s PRO 64 N -2.13 3.41 -0.54 8.40 0.04 -1.26 -4.90 135.00 138.00 1dco s PRO 64 Ca 0.30 0.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 1dco s PRO 64 Cb -0.13 -2.42 0.14 0.00 0.04 0.00 0.00 34.50 32.13 1dco s PRO 64 CO 0.22 -0.22 0.44 -1.21 0.04 0.00 0.00 177.00 176.26 1dco s GLU 65 N -4.69 2.73 0.10 4.56 2.02 -1.04 -5.00 118.70 117.37 1dco s GLU 65 Ca 0.47 -1.91 0.07 0.00 0.02 0.00 0.00 54.97 53.62 1dco s GLU 65 Cb -0.10 -4.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 1dco s GLU 65 CO 0.43 -1.23 -0.19 1.67 0.02 0.00 0.00 175.26 175.96 1dco s TRP 66 N 1.14 1.63 0.07 1.61 -2.14 -1.25 -0.87 118.94 119.12 1dco s TRP 66 Ca 0.08 -0.43 0.07 0.00 2.66 0.00 0.00 56.10 58.47 1dco s TRP 66 Cb -0.24 -0.89 -0.04 0.00 -3.10 0.00 0.00 33.47 29.20 1dco s TRP 66 CO -0.01 0.17 -0.15 0.12 -2.66 0.00 0.00 176.95 174.42 1dco s PHE 67 N -1.25 2.63 -0.05 1.66 5.36 -0.72 -4.93 117.98 120.69 1dco s PHE 67 Ca 0.05 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1dco s PHE 67 Cb -0.10 -1.45 0.03 0.00 -0.34 0.00 0.00 43.02 41.17 1dco s PHE 67 CO 0.04 0.34 0.11 1.21 -1.46 0.00 0.00 175.22 175.46 1dco s ASN 68 N -1.76 -0.06 -0.39 6.13 3.84 -1.26 -2.01 114.94 119.42 1dco s ASN 68 Ca 0.17 0.23 0.01 0.00 0.21 0.00 0.00 52.86 53.48 1dco s ASN 68 Cb -0.11 0.12 0.13 0.00 -0.55 0.00 0.00 41.25 40.85 1dco s ASN 68 CO 0.08 -0.13 0.22 0.54 -2.79 0.00 0.00 177.10 175.02 1dco s VAL 69 N 1.04 0.81 0.00 -5.21 0.11 -1.17 -5.06 120.40 110.93 1dco s VAL 69 Ca -0.08 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 56.87 1dco s VAL 69 Cb -0.11 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1dco s VAL 69 CO -0.05 -0.92 0.00 0.00 -3.33 0.00 0.00 175.10 170.80 1dco n TYR 70 N 3.86 0.00 -0.58 1.54 9.36 -1.26 -3.28 117.16 126.80 1dco n TYR 70 Ca 0.09 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.41 1dco n TYR 70 Cb 0.36 0.00 0.34 0.00 -0.63 0.00 0.00 39.34 39.41 1dco n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dco n ASN 71 N 8.72 4.50 -4.04 2.98 6.94 -1.26 -4.16 115.26 128.92 1dco n ASN 71 Ca 0.00 -2.38 -0.18 0.00 -0.02 0.00 0.00 54.58 52.00 1dco n ASN 71 Cb 0.00 -0.54 -0.14 0.00 -2.36 0.00 0.00 39.78 36.74 1dco n ASN 71 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1dco s LYS 72 N -1.72 0.73 -0.04 -3.83 -2.85 -1.21 0.25 119.74 111.07 1dco s LYS 72 Ca 0.49 -0.44 0.01 0.00 -1.00 0.00 0.00 55.97 55.03 1dco s LYS 72 Cb 0.31 -0.69 0.02 0.00 -2.06 0.00 0.00 37.83 35.41 1dco s LYS 72 CO 0.25 0.18 -0.05 0.54 0.10 0.00 0.00 175.35 176.36 1dco s VAL 73 N -0.45 0.58 -0.20 1.79 0.11 0.18 -3.05 120.40 119.36 1dco s VAL 73 Ca 0.02 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 58.82 1dco s VAL 73 Cb -0.05 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1dco s VAL 73 CO 0.00 0.23 0.10 -1.00 -3.33 0.00 0.00 175.10 171.09 1dco s HIS 74 N 0.78 3.31 -0.07 1.54 3.76 -0.85 0.12 115.29 123.89 1dco s HIS 74 Ca -0.11 0.17 0.05 0.00 -0.15 0.00 0.00 55.06 55.01 1dco s HIS 74 Cb -0.14 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1dco s HIS 74 CO 0.01 0.18 -0.21 0.42 -0.85 0.00 0.00 174.74 174.29 1dco s ILE 75 N 0.46 2.44 -0.08 0.60 1.01 0.38 -1.75 121.20 124.26 1dco s ILE 75 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.80 1dco s ILE 75 Cb -0.12 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1dco s ILE 75 CO -0.00 0.57 -0.16 -0.89 0.00 0.00 0.00 174.94 174.45 1dco s THR 76 N -0.23 1.46 -0.04 2.92 2.01 -0.05 -1.25 115.64 120.46 1dco s THR 76 Ca -0.01 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1dco s THR 76 Cb -0.13 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 1dco s THR 76 CO 0.03 0.43 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.47 1dco s LEU 77 N 0.59 1.89 -0.27 4.42 1.43 -0.54 -2.50 118.68 123.69 1dco s LEU 77 Ca -0.15 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 1dco s LEU 77 Cb -0.16 -0.92 0.08 0.00 0.03 0.00 0.00 46.19 45.22 1dco s LEU 77 CO 0.05 0.14 0.76 -0.55 0.23 0.00 0.00 176.35 176.98 1dco s SER 78 N 0.08 -0.74 -0.85 2.29 0.15 -1.26 -1.16 113.70 112.21 1dco s SER 78 Ca -0.04 1.37 -0.22 0.00 0.70 0.00 0.00 55.95 57.77 1dco s SER 78 Cb -0.11 1.38 0.09 0.00 -1.71 0.00 0.00 66.02 65.66 1dco s SER 78 CO 0.02 -0.23 1.16 -0.89 1.20 0.00 0.00 173.24 174.49 1dco s THR 79 N 0.61 4.35 0.14 6.45 2.01 -0.49 -4.91 115.64 123.79 1dco s THR 79 Ca -0.02 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.86 1dco s THR 79 Cb -0.05 -4.82 -0.06 0.00 0.01 0.00 0.00 72.50 67.58 1dco s THR 79 CO -0.04 -1.61 1.43 0.00 -0.69 0.00 0.00 174.62 173.70 1dco n HIS 80 N 7.64 -0.38 -0.01 4.92 1.44 -1.26 -2.18 115.22 125.39 1dco n HIS 80 Ca 0.15 1.09 -0.00 0.00 -2.01 0.00 0.00 57.72 56.95 1dco n HIS 80 Cb 0.48 -0.57 -0.00 0.00 0.12 0.00 0.00 29.99 30.02 1dco n HIS 80 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1dco n GLU 81 N -5.00 -0.01 -1.20 -1.40 2.13 -1.26 -0.48 120.64 113.43 1dco n GLU 81 Ca 0.02 0.11 -0.23 0.00 0.66 0.00 0.00 57.16 57.72 1dco n GLU 81 Cb 0.23 -0.17 0.18 0.00 0.27 0.00 0.00 31.44 31.95 1dco n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dco n ALA 83 N -1.14 -1.04 -3.00 0.00 0.00 0.37 -4.50 120.51 111.20 1dco n ALA 83 Ca 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1dco n ALA 83 Cb 1.58 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1dco n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dco n GLY 84 N -0.77 0.53 3.72 0.00 0.00 -1.23 -4.63 105.19 102.82 1dco n GLY 84 Ca 0.01 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1dco n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dco s LEU 85 N 0.00 3.16 0.25 0.99 1.43 -1.02 -1.40 118.68 122.09 1dco s LEU 85 Ca 0.00 2.19 -0.14 0.00 -1.03 0.00 0.00 54.13 55.14 1dco s LEU 85 Cb 0.00 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1dco s LEU 85 CO 0.00 -2.36 0.51 -0.94 0.23 0.00 0.00 176.35 173.79 1dco s SER 86 N -2.47 -0.13 0.25 2.29 1.04 -1.26 -2.46 113.70 110.96 1dco s SER 86 Ca 0.69 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 1dco s SER 86 Cb -0.25 0.60 0.48 0.00 0.10 0.00 0.00 66.02 66.96 1dco s SER 86 CO 0.50 -1.16 1.64 -0.08 0.98 0.00 0.00 173.24 175.11 1dco h GLU 87 N 2.22 0.12 -0.14 4.02 4.57 -1.97 -1.59 114.58 121.81 1dco h GLU 87 Ca -0.25 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.94 1dco h GLU 87 Cb 1.25 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 1dco h GLU 87 CO 0.34 0.08 -0.35 0.00 -1.18 0.00 0.00 179.01 177.90 1dco h ARG 88 N 0.12 -0.32 -0.99 1.92 3.08 -1.96 0.40 114.38 116.63 1dco h ARG 88 Ca 0.44 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.72 1dco h ARG 88 Cb 0.79 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.81 1dco h ARG 88 CO -0.66 -0.22 0.62 -0.44 -1.07 0.00 0.00 179.97 178.20 1dco h ASP 89 N -0.34 0.64 0.13 7.04 3.32 -1.79 0.27 116.42 125.69 1dco h ASP 89 Ca 0.03 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1dco h ASP 89 Cb 0.42 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1dco h ASP 89 CO -0.31 0.20 -0.06 0.40 -1.72 0.00 0.00 179.24 177.74 1dco h ILE 90 N 0.60 0.00 -0.76 0.35 1.08 -0.14 0.12 117.51 118.76 1dco h ILE 90 Ca 0.57 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 65.11 1dco h ILE 90 Cb 1.11 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.77 1dco h ILE 90 CO -0.34 0.00 -0.45 0.59 -0.69 0.00 0.00 178.15 177.27 1dco n ASN 91 N -2.47 -0.81 -0.30 1.72 3.02 0.12 0.16 115.26 116.71 1dco n ASN 91 Ca -0.02 1.48 0.07 0.00 -0.03 0.00 0.00 54.58 56.08 1dco n ASN 91 Cb 0.07 -0.24 0.28 0.00 -0.61 0.00 0.00 39.78 39.28 1dco n ASN 91 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1dco h LEU 92 N 0.00 0.84 -0.56 3.41 5.85 -0.57 -0.75 115.31 123.52 1dco h LEU 92 Ca 0.12 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1dco h LEU 92 Cb 0.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1dco h LEU 92 CO -0.71 0.49 0.11 0.00 -0.34 0.00 0.00 178.44 177.98 1dco h ALA 93 N 1.55 0.74 -0.24 1.25 0.00 0.43 0.42 119.26 123.41 1dco h ALA 93 Ca 0.43 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1dco h ALA 93 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dco h ALA 93 CO -0.19 0.47 0.14 0.77 0.00 0.00 0.00 179.25 180.44 1dco h SER 94 N 0.81 0.23 -0.41 0.00 0.02 0.88 -2.29 113.55 112.79 1dco h SER 94 Ca 0.17 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 1dco h SER 94 Cb 0.38 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1dco h SER 94 CO 0.01 0.17 0.05 0.15 -1.14 0.00 0.00 176.83 176.07 1dco h PHE 95 N 0.29 0.08 -1.12 3.45 3.04 -0.77 0.17 116.94 122.08 1dco h PHE 95 Ca 0.09 0.03 0.34 0.00 3.98 0.00 0.00 57.97 62.41 1dco h PHE 95 Cb -0.01 0.03 -0.12 0.00 2.56 0.00 0.00 35.95 38.41 1dco h PHE 95 CO -0.08 -0.03 0.70 0.82 -2.02 0.00 0.00 178.31 177.71 1dco h ILE 96 N 0.17 0.31 0.20 1.41 2.04 -0.36 -0.27 117.51 121.02 1dco h ILE 96 Ca 0.20 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1dco h ILE 96 Cb 0.27 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1dco h ILE 96 CO -0.29 0.05 -0.09 -0.33 0.00 0.00 0.00 178.15 177.48 1dco h GLU 97 N 0.27 -0.26 -0.79 2.37 4.39 -0.36 -1.29 114.58 118.90 1dco h GLU 97 Ca 0.72 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.53 1dco h GLU 97 Cb 1.93 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.56 1dco h GLU 97 CO -0.44 0.03 0.44 1.96 -1.16 0.00 0.00 179.01 179.84 1dco h GLN 98 N -0.53 0.72 -0.33 2.33 1.08 -0.77 -1.03 115.11 116.57 1dco h GLN 98 Ca -0.03 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1dco h GLN 98 Cb 0.40 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1dco h GLN 98 CO 0.04 0.47 0.07 0.28 -0.95 0.00 0.00 178.83 178.75 1dco h VAL 99 N 0.74 1.23 -0.85 -0.54 2.07 -1.40 -3.05 116.25 114.45 1dco h VAL 99 Ca 0.39 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1dco h VAL 99 Cb 0.37 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1dco h VAL 99 CO -0.25 0.26 0.53 0.00 0.02 0.00 0.00 177.57 178.12 1dco h ALA 100 N 0.91 1.15 -0.28 1.67 0.00 -0.02 -2.54 119.26 120.15 1dco h ALA 100 Ca 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1dco h ALA 100 Cb 0.32 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1dco h ALA 100 CO 0.00 0.29 -0.10 0.28 0.00 0.00 0.00 179.25 179.73 1dco h VAL 101 N 0.98 0.65 0.00 0.00 2.07 -1.16 -1.23 116.25 117.56 1dco h VAL 101 Ca 0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1dco h VAL 101 Cb 0.13 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1dco h VAL 101 CO -0.16 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 175.89 1dco n SER 102 N -5.28 0.53 -3.93 0.57 3.41 -0.96 -4.51 113.62 103.46 1dco n SER 102 Ca -0.00 -0.69 -0.31 0.00 -0.26 0.00 0.00 58.87 57.61 1dco n SER 102 Cb 0.19 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 1dco n SER 102 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1dco s MET 103 N -0.56 1.36 0.00 4.33 -1.94 -0.47 -5.08 119.30 116.95 1dco s MET 103 Ca 0.00 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 52.52 1dco s MET 103 Cb 0.00 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 34.09 1dco s MET 103 CO 0.00 -0.86 0.00 0.25 -0.01 0.00 0.00 175.02 174.40