#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 0.73 0.02 -1.40 3.52 -1.26 -4.43 118.95 116.13 1dco s ARG 7 Ca 0.00 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 1dco s ARG 7 Cb 0.00 -0.69 -0.05 0.00 -1.56 0.00 0.00 34.95 32.65 1dco s ARG 7 CO 0.00 0.18 1.26 -0.51 -0.81 0.00 0.00 175.30 175.42 1dco s LEU 8 N -0.50 4.34 0.85 -0.88 1.43 0.38 -4.96 118.68 119.34 1dco s LEU 8 Ca 0.02 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1dco s LEU 8 Cb -0.05 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.70 1dco s LEU 8 CO -0.00 -0.57 1.14 -0.94 0.23 0.00 0.00 176.35 176.22 1dco s SER 9 N 1.34 4.09 0.48 2.29 1.04 -1.26 -4.82 113.70 116.86 1dco s SER 9 Ca 0.60 0.95 0.21 0.00 0.48 0.00 0.00 55.95 58.19 1dco s SER 9 Cb -0.29 -1.54 1.20 0.00 0.10 0.00 0.00 66.02 65.49 1dco s SER 9 CO 0.27 -2.18 2.01 0.00 0.98 0.00 0.00 173.24 174.31 1dco h ALA 10 N -1.24 1.42 -0.01 5.32 0.00 -2.00 -0.90 119.26 121.85 1dco h ALA 10 Ca -0.48 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 1dco h ALA 10 Cb 1.32 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1dco h ALA 10 CO 0.63 0.22 -0.52 0.93 0.00 0.00 0.00 179.25 180.51 1dco h GLU 11 N 0.00 0.37 -0.58 0.00 4.39 -1.99 -2.75 114.58 114.03 1dco h GLU 11 Ca -0.00 -0.38 0.08 0.00 0.34 0.00 0.00 59.36 59.39 1dco h GLU 11 Cb 0.38 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 1dco h GLU 11 CO 0.02 1.06 0.24 0.93 -1.16 0.00 0.00 179.01 180.10 1dco h GLU 12 N -0.15 0.42 0.08 2.33 5.08 -1.85 -0.41 114.58 120.08 1dco h GLU 12 Ca -0.06 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1dco h GLU 12 Cb 1.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1dco h GLU 12 CO 0.10 0.28 -0.35 0.00 -1.00 0.00 0.00 179.01 178.04 1dco h ARG 13 N 0.44 -0.54 -0.98 2.33 3.08 -1.19 -1.43 114.38 116.09 1dco h ARG 13 Ca 0.28 0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.66 1dco h ARG 13 Cb 0.30 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.33 1dco h ARG 13 CO -0.26 -0.36 0.52 -0.44 -1.07 0.00 0.00 179.97 178.36 1dco h ASP 14 N -0.56 0.46 0.66 7.04 3.32 -0.94 0.18 116.42 126.58 1dco h ASP 14 Ca 0.04 0.18 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 1dco h ASP 14 Cb 0.61 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1dco h ASP 14 CO -0.23 -0.09 -0.74 1.56 -1.72 0.00 0.00 179.24 178.02 1dco h GLN 15 N 0.36 0.06 0.00 3.56 4.20 -0.09 -3.40 115.11 119.80 1dco h GLN 15 Ca 0.68 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 59.28 1dco h GLN 15 Cb 1.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 1dco h GLN 15 CO -0.59 0.77 -1.19 1.28 -0.67 0.00 0.00 178.83 178.44 1dco n LEU 16 N -3.69 1.54 -0.30 1.46 4.77 -0.33 -4.84 117.00 115.61 1dco n LEU 16 Ca -0.01 0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1dco n LEU 16 Cb 0.72 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.77 1dco n LEU 16 CO 0.44 0.30 1.10 -0.07 -1.33 0.00 0.00 177.39 177.83 1dco h LEU 17 N -0.07 1.07 -0.66 2.23 3.38 -0.92 -3.06 115.31 117.28 1dco h LEU 17 Ca -0.08 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1dco h LEU 17 Cb 1.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1dco h LEU 17 CO -0.03 0.91 0.41 1.55 0.09 0.00 0.00 178.44 181.36 1dco h PRO 18 N 1.16 0.79 -0.11 1.13 0.14 -1.78 0.42 132.00 133.75 1dco h PRO 18 Ca 0.28 -0.05 0.03 0.00 0.14 0.00 0.00 66.00 66.41 1dco h PRO 18 Cb 0.12 -0.18 -0.00 0.00 0.14 0.00 0.00 31.00 31.08 1dco h PRO 18 CO -0.04 0.52 0.11 -0.91 0.14 0.00 0.00 178.00 177.82 1dco h ASN 19 N 0.81 0.00 0.01 1.44 -0.26 -1.86 -1.30 115.58 114.42 1dco h ASN 19 Ca 0.26 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.98 1dco h ASN 19 Cb -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1dco h ASN 19 CO -0.10 0.00 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.11 1dco h LEU 20 N 0.00 0.07 -1.24 1.61 3.38 -1.06 -3.24 115.31 114.83 1dco h LEU 20 Ca 0.05 -0.90 0.19 0.00 0.09 0.00 0.00 57.88 57.32 1dco h LEU 20 Cb 0.26 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 1dco h LEU 20 CO -0.00 0.95 0.61 -0.09 0.09 0.00 0.00 178.44 180.01 1dco h ARG 21 N -0.81 0.59 0.00 1.13 2.43 -0.47 0.30 114.38 117.55 1dco h ARG 21 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1dco h ARG 21 Cb 0.98 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1dco h ARG 21 CO 0.02 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.87 1dco h ALA 22 N 1.62 1.00 -0.22 2.80 0.00 -1.28 -1.85 119.26 121.33 1dco h ALA 22 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1dco h ALA 22 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1dco h ALA 22 CO -0.28 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.30 1dco n VAL 23 N -2.70 1.92 0.00 0.00 0.24 0.10 -4.95 118.33 112.95 1dco n VAL 23 Ca -0.02 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.55 1dco n VAL 23 Cb 0.07 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1dco n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dco n GLY 24 N -0.46 0.77 3.64 7.63 0.00 -0.70 -5.06 105.19 111.01 1dco n GLY 24 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.32 0.09 1.61 0.52 -1.05 -4.49 118.94 116.94 1dco s TRP 25 Ca 0.00 0.98 0.06 0.00 0.02 0.00 0.00 56.10 57.16 1dco s TRP 25 Cb 0.00 -2.91 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 1dco s TRP 25 CO 0.00 -0.31 -0.05 -0.80 0.02 0.00 0.00 176.95 175.81 1dco s ASN 26 N 1.34 4.74 0.52 2.95 0.01 0.23 -3.65 114.94 121.08 1dco s ASN 26 Ca 0.31 -0.25 -0.16 0.00 -0.71 0.00 0.00 52.86 52.04 1dco s ASN 26 Cb -0.16 -1.05 -0.08 0.00 0.41 0.00 0.00 41.25 40.38 1dco s ASN 26 CO 0.09 0.19 0.98 -1.61 -1.51 0.00 0.00 177.10 175.24 1dco s GLU 27 N -2.18 3.92 -0.13 -0.60 2.02 -1.26 1.00 118.70 121.47 1dco s GLU 27 Ca 0.23 0.93 -0.06 0.00 0.02 0.00 0.00 54.97 56.09 1dco s GLU 27 Cb -0.11 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1dco s GLU 27 CO 0.15 -0.29 0.10 -1.17 0.02 0.00 0.00 175.26 174.08 1dco s LEU 28 N -4.14 4.13 0.04 1.80 2.96 -0.92 -4.82 118.68 117.72 1dco s LEU 28 Ca 0.58 0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 54.53 1dco s LEU 28 Cb -0.10 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 44.50 1dco s LEU 28 CO 0.33 0.36 1.97 -1.61 -1.32 0.00 0.00 176.35 176.07 1dco s GLU 29 N -0.73 4.14 0.00 1.98 2.02 -1.26 -3.27 118.70 121.58 1dco s GLU 29 Ca 0.13 2.62 0.00 0.00 0.02 0.00 0.00 54.97 57.73 1dco s GLU 29 Cb -0.12 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 29.97 1dco s GLU 29 CO 0.03 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1dco n GLY 30 N 4.54 1.55 3.77 -1.39 0.00 -1.26 -4.94 105.19 107.47 1dco n GLY 30 Ca 0.20 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1dco n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dco s ARG 31 N 0.00 3.99 -1.17 1.61 3.52 -1.20 -4.97 118.95 120.72 1dco s ARG 31 Ca 0.00 1.70 -0.15 0.00 -0.13 0.00 0.00 55.73 57.16 1dco s ARG 31 Cb 0.00 -2.54 0.16 0.00 -1.56 0.00 0.00 34.95 31.01 1dco s ARG 31 CO 0.00 -0.34 1.41 0.34 -0.81 0.00 0.00 175.30 175.90 1dco s ASP 32 N -1.36 7.00 0.30 -2.12 2.15 -1.26 -4.18 116.67 117.20 1dco s ASP 32 Ca 0.60 -2.85 -0.09 0.00 0.43 0.00 0.00 52.55 50.64 1dco s ASP 32 Cb -0.27 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1dco s ASP 32 CO 0.33 -0.81 0.49 0.00 -0.17 0.00 0.00 175.17 175.02 1dco s ALA 33 N 1.84 0.16 0.08 3.66 0.00 -1.26 -3.56 121.76 122.67 1dco s ALA 33 Ca 0.42 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1dco s ALA 33 Cb -0.03 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.13 1dco s ALA 33 CO -0.01 -0.83 -0.08 0.96 0.00 0.00 0.00 175.76 175.80 1dco s ILE 34 N -3.47 0.70 0.11 0.00 -4.36 -0.98 -2.16 121.20 111.03 1dco s ILE 34 Ca 0.26 -1.54 -0.10 0.00 -0.26 0.00 0.00 60.65 59.00 1dco s ILE 34 Cb -0.01 -1.20 0.00 0.00 1.25 0.00 0.00 42.46 42.50 1dco s ILE 34 CO 0.14 -0.61 0.25 0.12 0.24 0.00 0.00 174.94 175.08 1dco s PHE 35 N -2.49 0.14 -0.25 1.37 5.36 0.28 -1.54 117.98 120.86 1dco s PHE 35 Ca 0.02 -0.54 -0.26 0.00 -0.96 0.00 0.00 56.93 55.19 1dco s PHE 35 Cb -0.02 0.00 0.11 0.00 -0.34 0.00 0.00 43.02 42.77 1dco s PHE 35 CO -0.02 -0.62 0.95 0.21 -1.46 0.00 0.00 175.22 174.28 1dco s LYS 36 N -3.88 0.62 -0.15 10.12 2.20 -0.72 -0.60 119.74 127.32 1dco s LYS 36 Ca 0.07 0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 56.19 1dco s LYS 36 Cb 0.04 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 1dco s LYS 36 CO -0.09 -0.10 0.12 -0.65 -0.36 0.00 0.00 175.35 174.27 1dco s GLN 37 N -0.04 3.75 -0.07 4.03 -0.21 -1.26 -1.75 119.66 124.12 1dco s GLN 37 Ca 0.01 -0.20 0.05 0.00 0.02 0.00 0.00 55.36 55.24 1dco s GLN 37 Cb -0.04 -3.26 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 1dco s GLN 37 CO -0.03 0.55 -0.23 -0.06 -2.12 0.00 0.00 175.29 173.40 1dco s PHE 38 N -0.36 2.29 -0.03 0.91 0.08 0.94 -4.99 117.98 116.82 1dco s PHE 38 Ca 0.11 -0.76 0.06 0.00 0.12 0.00 0.00 56.93 56.46 1dco s PHE 38 Cb -0.12 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 1dco s PHE 38 CO 0.01 -0.26 -0.20 -1.01 -0.10 0.00 0.00 175.22 173.66 1dco s HIS 39 N 0.04 1.86 0.43 0.36 3.76 -1.26 -0.45 115.29 120.03 1dco s HIS 39 Ca -0.08 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 1dco s HIS 39 Cb -0.15 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 1dco s HIS 39 CO 0.05 -0.10 0.06 -0.06 -0.85 0.00 0.00 174.74 173.84 1dco s PHE 40 N -0.27 1.94 0.20 1.40 0.40 -0.90 -4.95 117.98 115.80 1dco s PHE 40 Ca 0.03 -1.04 -0.04 0.00 -0.60 0.00 0.00 56.93 55.28 1dco s PHE 40 Cb -0.10 -1.41 0.14 0.00 0.51 0.00 0.00 43.02 42.15 1dco s PHE 40 CO 0.01 0.03 1.55 0.87 0.70 0.00 0.00 175.22 178.38 1dco h LYS 41 N 1.70 0.65 0.00 0.44 1.57 -1.86 -3.46 116.57 115.61 1dco h LYS 41 Ca -0.40 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 57.95 1dco h LYS 41 Cb 1.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1dco h LYS 41 CO 0.68 0.95 0.17 -0.40 -0.57 0.00 0.00 179.45 180.28 1dco n ASP 42 N -4.02 -1.93 -0.20 0.86 5.68 -1.26 -4.94 116.55 110.74 1dco n ASP 42 Ca -0.02 -2.53 -0.08 0.00 -0.50 0.00 0.00 54.79 51.66 1dco n ASP 42 Cb 0.54 3.27 0.02 0.00 -1.14 0.00 0.00 41.12 43.81 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 1.91 0.92 -0.82 2.11 3.57 -1.93 -2.54 116.94 120.16 1dco h PHE 43 Ca -0.30 -0.10 0.17 0.00 3.53 0.00 0.00 57.97 61.28 1dco h PHE 43 Cb 1.13 -0.26 -0.11 0.00 2.79 0.00 0.00 35.95 39.50 1dco h PHE 43 CO 0.00 0.78 0.34 -0.97 -2.23 0.00 0.00 178.31 176.23 1dco h ASN 44 N 0.80 0.31 -0.07 0.41 -0.73 -1.97 0.70 115.58 115.03 1dco h ASN 44 Ca 0.18 0.12 -0.15 0.00 1.87 0.00 0.00 56.30 58.33 1dco h ASN 44 Cb 0.29 0.10 0.01 0.00 0.27 0.00 0.00 38.32 38.99 1dco h ASN 44 CO -0.00 0.08 -0.55 -0.09 -0.37 0.00 0.00 177.43 176.50 1dco h ARG 45 N 0.45 0.49 -0.28 6.67 2.43 -1.94 -1.46 114.38 120.73 1dco h ARG 45 Ca 0.47 -0.44 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1dco h ARG 45 Cb 0.78 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1dco h ARG 45 CO -0.45 1.07 -0.37 0.00 -1.51 0.00 0.00 179.97 178.72 1dco h ALA 46 N 0.43 0.83 -0.30 2.80 0.00 -0.92 0.11 119.26 122.20 1dco h ALA 46 Ca -0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1dco h ALA 46 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1dco h ALA 46 CO 0.11 0.64 -0.04 0.35 0.00 0.00 0.00 179.25 180.31 1dco h PHE 47 N 0.54 0.63 -0.68 0.00 3.57 0.36 0.45 116.94 121.80 1dco h PHE 47 Ca 0.05 -0.13 0.13 0.00 3.53 0.00 0.00 57.97 61.55 1dco h PHE 47 Cb 0.88 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 1dco h PHE 47 CO 0.04 0.73 0.22 0.78 -2.23 0.00 0.00 178.31 177.85 1dco h GLY 48 N 0.34 0.97 0.95 2.40 0.00 -1.02 0.36 103.07 107.07 1dco h GLY 48 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1dco h GLY 48 CO 0.02 -0.10 0.03 -2.75 0.00 0.00 0.00 176.54 173.74 1dco h PHE 49 N 0.36 0.07 -0.86 5.60 3.57 -0.43 -2.27 116.94 122.98 1dco h PHE 49 Ca 0.37 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.99 1dco h PHE 49 Cb 0.55 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 1dco h PHE 49 CO -0.20 0.09 0.48 0.52 -2.23 0.00 0.00 178.31 176.97 1dco h MET 50 N 0.02 0.71 -0.73 1.11 2.86 0.46 -0.91 114.93 118.46 1dco h MET 50 Ca 0.02 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1dco h MET 50 Cb 0.04 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1dco h MET 50 CO -0.00 0.47 0.33 1.15 1.06 0.00 0.00 176.91 179.92 1dco h THR 51 N 0.74 1.24 -0.17 2.22 2.02 -0.61 1.22 112.91 119.56 1dco h THR 51 Ca 0.44 -0.69 -0.15 0.00 0.77 0.00 0.00 66.41 66.78 1dco h THR 51 Cb 0.52 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1dco h THR 51 CO -0.30 0.29 -0.54 0.03 0.37 0.00 0.00 175.52 175.36 1dco h ARG 52 N 1.04 0.50 -0.51 6.66 3.08 -0.69 -1.11 114.38 123.34 1dco h ARG 52 Ca 0.25 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1dco h ARG 52 Cb 0.13 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1dco h ARG 52 CO -0.03 0.91 -0.18 0.28 -1.07 0.00 0.00 179.97 179.88 1dco h VAL 53 N 0.38 1.27 0.16 2.04 2.07 -0.74 -2.82 116.25 118.61 1dco h VAL 53 Ca 0.01 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.20 1dco h VAL 53 Cb 1.07 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1dco h VAL 53 CO 0.10 0.47 -0.32 0.00 0.02 0.00 0.00 177.57 177.84 1dco h ALA 54 N 0.89 -0.57 -0.57 1.67 0.00 0.19 -1.11 119.26 119.76 1dco h ALA 54 Ca 0.12 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1dco h ALA 54 Cb 0.76 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1dco h ALA 54 CO 0.06 -0.87 -0.21 -0.07 0.00 0.00 0.00 179.25 178.16 1dco h LEU 55 N -0.56 -0.75 -0.70 0.00 3.38 -1.15 -1.29 115.31 114.24 1dco h LEU 55 Ca 0.02 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1dco h LEU 55 Cb 0.58 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1dco h LEU 55 CO -0.16 -0.24 0.44 1.56 0.09 0.00 0.00 178.44 180.13 1dco h GLN 56 N -0.07 0.84 -0.34 1.13 1.08 -1.31 -2.03 115.11 114.41 1dco h GLN 56 Ca 0.26 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1dco h GLN 56 Cb 0.48 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1dco h GLN 56 CO -0.62 0.56 0.21 0.00 -0.95 0.00 0.00 178.83 178.02 1dco h ALA 57 N 1.29 1.73 0.02 3.87 0.00 -0.02 0.30 119.26 126.45 1dco h ALA 57 Ca 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1dco h ALA 57 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dco h ALA 57 CO -0.10 0.24 -0.17 0.93 0.00 0.00 0.00 179.25 180.15 1dco h GLU 58 N 0.46 0.08 -0.77 0.00 4.39 -1.23 1.08 114.58 118.60 1dco h GLU 58 Ca 0.12 -0.11 0.18 0.00 0.34 0.00 0.00 59.36 59.89 1dco h GLU 58 Cb -0.02 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 28.53 1dco h GLU 58 CO -0.02 0.99 0.03 -0.22 -1.16 0.00 0.00 179.01 178.62 1dco h LYS 59 N -0.77 0.11 0.00 2.33 3.64 -1.01 -0.38 116.57 120.49 1dco h LYS 59 Ca -0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1dco h LYS 59 Cb 1.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1dco h LYS 59 CO 0.03 0.07 -0.56 -0.07 -2.27 0.00 0.00 179.45 176.66 1dco h LEU 60 N 0.12 0.00 1.18 5.20 3.38 -0.38 -3.48 115.31 121.33 1dco h LEU 60 Ca 0.43 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.10 1dco h LEU 60 Cb 0.76 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.53 1dco h LEU 60 CO -0.66 0.33 -0.42 -0.67 0.09 0.00 0.00 178.44 177.11 1dco n ASP 61 N -3.08 -4.73 -3.87 -0.43 2.03 0.36 -4.99 116.55 101.83 1dco n ASP 61 Ca 0.01 -0.13 -0.23 0.00 0.52 0.00 0.00 54.79 54.96 1dco n ASP 61 Cb 0.68 -3.70 -0.17 0.00 -0.72 0.00 0.00 41.12 37.21 1dco n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dco s HIS 62 N -2.90 0.94 -0.03 -0.67 2.46 -0.42 -5.01 115.29 109.65 1dco s HIS 62 Ca 0.13 -0.33 0.06 0.00 0.47 0.00 0.00 55.06 55.39 1dco s HIS 62 Cb -0.06 -0.85 -0.02 0.00 -0.13 0.00 0.00 32.58 31.51 1dco s HIS 62 CO 0.17 -0.30 -0.19 -1.01 -2.47 0.00 0.00 174.74 170.93 1dco s HIS 63 N 1.34 2.55 0.85 3.88 3.76 -1.26 -4.39 115.29 122.02 1dco s HIS 63 Ca -0.04 -0.27 -0.12 0.00 -0.15 0.00 0.00 55.06 54.48 1dco s HIS 63 Cb -0.14 -1.56 0.10 0.00 1.11 0.00 0.00 32.58 32.09 1dco s HIS 63 CO -0.03 0.11 1.11 -1.25 -0.85 0.00 0.00 174.74 173.84 1dco s PRO 64 N -0.77 1.64 -0.26 8.40 0.04 -1.26 -4.85 135.00 137.94 1dco s PRO 64 Ca 0.11 0.51 -0.05 0.00 0.04 0.00 0.00 61.00 61.61 1dco s PRO 64 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1dco s PRO 64 CO 0.00 -1.90 0.03 -1.21 0.04 0.00 0.00 177.00 173.96 1dco s GLU 65 N -5.18 3.23 0.03 4.56 2.02 -0.29 -4.98 118.70 118.09 1dco s GLU 65 Ca 0.62 -0.75 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 1dco s GLU 65 Cb -0.15 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 1dco s GLU 65 CO 0.54 -0.33 0.00 1.67 0.02 0.00 0.00 175.26 177.17 1dco s TRP 66 N 1.49 0.30 -0.04 1.61 -2.14 -1.26 -1.49 118.94 117.42 1dco s TRP 66 Ca 0.04 -0.63 0.03 0.00 2.66 0.00 0.00 56.10 58.21 1dco s TRP 66 Cb -0.16 -0.22 0.00 0.00 -3.10 0.00 0.00 33.47 29.99 1dco s TRP 66 CO 0.00 -0.27 -0.13 0.12 -2.66 0.00 0.00 176.95 174.01 1dco s PHE 67 N -2.23 1.36 -0.01 1.66 2.19 -0.42 -4.98 117.98 115.55 1dco s PHE 67 Ca -0.09 -0.38 0.02 0.00 0.33 0.00 0.00 56.93 56.82 1dco s PHE 67 Cb -0.04 -0.94 -0.00 0.00 -1.31 0.00 0.00 43.02 40.73 1dco s PHE 67 CO -0.04 -0.14 -0.08 1.21 1.83 0.00 0.00 175.22 178.01 1dco s ASN 68 N 0.14 0.93 -0.05 6.13 3.84 -1.26 -0.71 114.94 123.96 1dco s ASN 68 Ca -0.04 -0.14 -0.01 0.00 0.21 0.00 0.00 52.86 52.88 1dco s ASN 68 Cb -0.10 -0.15 0.03 0.00 -0.55 0.00 0.00 41.25 40.47 1dco s ASN 68 CO 0.01 0.08 0.01 -0.69 -2.79 0.00 0.00 177.10 173.72 1dco s VAL 69 N -0.06 0.26 0.00 -5.21 1.01 -0.89 -4.99 120.40 110.53 1dco s VAL 69 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1dco s VAL 69 Cb -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1dco s VAL 69 CO -0.00 0.21 0.00 0.00 0.00 0.00 0.00 175.10 175.31 1dco n TYR 70 N 4.76 0.00 0.48 5.22 9.36 -1.26 0.16 117.16 135.87 1dco n TYR 70 Ca -0.14 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.20 1dco n TYR 70 Cb 0.50 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.42 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 3.47 3.32 -4.63 2.98 6.94 -1.26 -4.21 115.26 121.86 1dco n ASN 71 Ca 0.00 -1.98 -0.35 0.00 -0.02 0.00 0.00 54.58 52.23 1dco n ASN 71 Cb 0.00 -0.20 -0.10 0.00 -2.36 0.00 0.00 39.78 37.12 1dco n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dco s LYS 72 N -1.60 3.32 -0.12 -3.83 1.02 0.12 -2.11 119.74 116.54 1dco s LYS 72 Ca 0.37 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1dco s LYS 72 Cb 0.22 -2.90 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1dco s LYS 72 CO 0.31 0.52 -0.13 0.08 -0.92 0.00 0.00 175.35 175.21 1dco s VAL 73 N -0.38 1.42 -0.16 3.17 1.01 0.40 -2.08 120.40 123.79 1dco s VAL 73 Ca 0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1dco s VAL 73 Cb -0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1dco s VAL 73 CO 0.02 0.43 -0.10 -1.00 0.00 0.00 0.00 175.10 174.45 1dco s HIS 74 N 1.31 2.88 0.01 5.22 3.76 0.11 -0.04 115.29 128.54 1dco s HIS 74 Ca -0.00 -0.72 0.05 0.00 -0.15 0.00 0.00 55.06 54.25 1dco s HIS 74 Cb -0.14 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 1dco s HIS 74 CO -0.06 -0.30 -0.17 0.42 -0.85 0.00 0.00 174.74 173.77 1dco s ILE 75 N 0.70 1.34 -0.03 0.60 1.01 -0.72 -1.30 121.20 122.81 1dco s ILE 75 Ca -0.05 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1dco s ILE 75 Cb -0.15 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 1dco s ILE 75 CO 0.02 0.27 -0.13 -0.89 0.00 0.00 0.00 174.94 174.21 1dco s THR 76 N -0.56 1.06 -0.02 2.92 2.01 -0.55 -1.76 115.64 118.74 1dco s THR 76 Ca 0.06 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1dco s THR 76 Cb -0.07 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1dco s THR 76 CO 0.00 0.31 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.40 1dco s LEU 77 N 0.03 1.83 0.18 4.42 1.43 -0.59 -1.13 118.68 124.85 1dco s LEU 77 Ca -0.01 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1dco s LEU 77 Cb -0.09 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.66 1dco s LEU 77 CO 0.01 0.07 0.74 -0.55 0.23 0.00 0.00 176.35 176.85 1dco s SER 78 N 0.12 -0.36 -0.14 2.29 0.15 -1.26 -2.32 113.70 112.18 1dco s SER 78 Ca -0.02 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.33 1dco s SER 78 Cb -0.08 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 1dco s SER 78 CO 0.00 -1.05 -0.12 -0.89 1.20 0.00 0.00 173.24 172.37 1dco s THR 79 N -3.65 3.06 0.02 6.45 2.01 -0.00 -4.92 115.64 118.61 1dco s THR 79 Ca 0.07 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1dco s THR 79 Cb -0.03 -2.29 -0.30 0.00 0.01 0.00 0.00 72.50 69.89 1dco s THR 79 CO -0.03 0.52 0.93 0.45 -0.69 0.00 0.00 174.62 175.80 1dco h HIS 80 N 6.83 0.59 -0.97 4.92 3.86 -1.90 0.02 115.15 128.50 1dco h HIS 80 Ca -0.27 -0.43 0.23 0.00 -1.16 0.00 0.00 60.37 58.73 1dco h HIS 80 Cb 1.21 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 29.53 1dco h HIS 80 CO 0.51 1.42 0.55 0.93 0.86 0.00 0.00 177.93 182.20 1dco h GLU 81 N 0.09 0.56 0.00 2.45 5.08 -1.95 -1.97 114.58 118.84 1dco h GLU 81 Ca -0.23 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1dco h GLU 81 Cb 2.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1dco h GLU 81 CO 0.20 0.37 -0.80 0.00 -1.00 0.00 0.00 179.01 177.77 1dco n ALA 83 N -1.41 0.00 -3.05 0.00 0.00 -0.03 -4.93 120.51 111.10 1dco n ALA 83 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1dco n ALA 83 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.00 5.65 3.78 0.00 0.00 -1.06 -4.54 105.19 107.02 1dco n GLY 84 Ca 0.00 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 4.21 0.32 0.99 1.43 -1.23 -0.82 118.68 123.58 1dco s LEU 85 Ca 0.00 2.05 0.05 0.00 -1.03 0.00 0.00 54.13 55.20 1dco s LEU 85 Cb 0.00 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1dco s LEU 85 CO 0.00 -0.41 0.23 -0.94 0.23 0.00 0.00 176.35 175.46 1dco s SER 86 N -1.48 1.62 0.06 2.29 1.04 -1.26 -0.47 113.70 115.50 1dco s SER 86 Ca 0.55 -1.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.17 1dco s SER 86 Cb -0.23 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1dco s SER 86 CO 0.29 -1.00 1.22 -0.33 0.98 0.00 0.00 173.24 174.40 1dco h GLU 87 N 2.16 -0.07 -0.84 4.02 5.08 -1.95 -1.02 114.58 121.97 1dco h GLU 87 Ca -0.28 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1dco h GLU 87 Cb 1.24 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 1dco h GLU 87 CO 0.42 -0.04 -0.33 0.54 -1.00 0.00 0.00 179.01 178.60 1dco n ARG 88 N -3.86 -0.20 -0.23 2.33 1.74 -1.26 0.43 116.66 115.60 1dco n ARG 88 Ca -0.00 1.28 -0.02 0.00 -0.77 0.00 0.00 57.85 58.34 1dco n ARG 88 Cb 0.12 -1.91 0.04 0.00 -1.02 0.00 0.00 32.46 29.69 1dco n ARG 88 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1dco h ASP 89 N 0.00 -0.98 0.29 0.55 3.32 -1.55 2.83 116.42 120.88 1dco h ASP 89 Ca 0.29 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 1dco h ASP 89 Cb 0.49 0.54 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1dco h ASP 89 CO -0.83 -0.28 -0.16 0.40 -1.72 0.00 0.00 179.24 176.66 1dco h ILE 90 N -0.09 0.68 -0.42 0.35 1.08 0.90 0.12 117.51 120.13 1dco h ILE 90 Ca 0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.73 1dco h ILE 90 Cb 0.55 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1dco h ILE 90 CO -0.72 0.00 0.17 0.78 -0.69 0.00 0.00 178.15 177.69 1dco h ASN 91 N -0.41 0.53 0.03 1.72 -0.26 0.48 -1.64 115.58 116.03 1dco h ASN 91 Ca -0.03 -0.05 -0.22 0.00 -0.56 0.00 0.00 56.30 55.43 1dco h ASN 91 Cb 0.33 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.46 1dco h ASN 91 CO 0.05 0.48 -0.83 0.25 -1.06 0.00 0.00 177.43 176.32 1dco h LEU 92 N 0.59 0.78 -1.12 1.61 5.85 0.52 -2.86 115.31 120.68 1dco h LEU 92 Ca 0.15 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1dco h LEU 92 Cb 0.11 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1dco h LEU 92 CO -0.02 1.33 0.60 0.00 -0.34 0.00 0.00 178.44 180.01 1dco h ALA 93 N 0.65 1.47 -0.55 1.25 0.00 -0.22 0.39 119.26 122.24 1dco h ALA 93 Ca -0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1dco h ALA 93 Cb 1.45 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1dco h ALA 93 CO 0.16 0.41 0.06 0.77 0.00 0.00 0.00 179.25 180.64 1dco h SER 94 N 1.08 0.86 -0.01 0.00 0.02 -1.30 0.30 113.55 114.50 1dco h SER 94 Ca 0.38 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1dco h SER 94 Cb 0.14 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1dco h SER 94 CO -0.14 0.89 -0.00 0.15 -1.14 0.00 0.00 176.83 176.59 1dco h PHE 95 N 0.85 0.02 -0.64 3.45 3.57 -0.94 -1.03 116.94 122.21 1dco h PHE 95 Ca 0.17 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.78 1dco h PHE 95 Cb 0.42 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 1dco h PHE 95 CO 0.03 0.39 0.22 0.82 -2.23 0.00 0.00 178.31 177.54 1dco h ILE 96 N -0.36 0.71 -0.65 1.41 2.04 0.32 -0.13 117.51 120.84 1dco h ILE 96 Ca 0.00 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1dco h ILE 96 Cb 0.39 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1dco h ILE 96 CO 0.00 0.07 0.35 -0.33 0.00 0.00 0.00 178.15 178.24 1dco h GLU 97 N 0.37 0.62 -0.30 2.37 4.39 -0.14 0.48 114.58 122.38 1dco h GLU 97 Ca 0.33 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 1dco h GLU 97 Cb 0.46 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1dco h GLU 97 CO -0.36 0.41 -0.04 0.37 -1.16 0.00 0.00 179.01 178.24 1dco h GLN 98 N 0.64 0.48 0.24 2.33 4.15 -0.00 -2.62 115.11 120.33 1dco h GLN 98 Ca 0.30 -0.11 -0.34 0.00 0.77 0.00 0.00 58.65 59.27 1dco h GLN 98 Cb 0.21 -0.07 0.03 0.00 0.21 0.00 0.00 27.48 27.87 1dco h GLN 98 CO -0.20 0.54 -1.54 0.28 -1.93 0.00 0.00 178.83 175.98 1dco h VAL 99 N 0.46 1.21 -0.73 2.39 2.07 -0.31 -3.35 116.25 117.99 1dco h VAL 99 Ca 0.10 -2.66 0.09 0.00 0.82 0.00 0.00 66.70 65.05 1dco h VAL 99 Cb 0.36 2.99 -0.07 0.00 -1.52 0.00 0.00 31.29 33.05 1dco h VAL 99 CO 0.01 0.82 0.38 0.00 0.02 0.00 0.00 177.57 178.80 1dco h ALA 100 N 0.14 1.01 0.00 1.67 0.00 0.24 0.61 119.26 122.94 1dco h ALA 100 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dco h ALA 100 Cb 2.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1dco h ALA 100 CO 0.26 -0.02 0.24 0.28 0.00 0.00 0.00 179.25 180.01 1dco h VAL 101 N 0.64 0.00 0.00 0.00 2.07 -1.60 -3.19 116.25 114.16 1dco h VAL 101 Ca 0.36 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.72 1dco h VAL 101 Cb 0.37 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1dco h VAL 101 CO -0.26 0.00 -1.01 0.77 0.02 0.00 0.00 177.57 177.09 1dco h SER 102 N 0.00 0.00 0.00 0.57 4.64 -1.02 -3.43 113.55 114.31 1dco h SER 102 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1dco h SER 102 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1dco h SER 102 CO 0.00 1.24 0.00 0.23 -0.87 0.00 0.00 176.83 177.43 1dco n MET 103 N -4.50 0.00 -0.53 4.77 2.81 -1.21 -5.16 117.12 113.30 1dco n MET 103 Ca -0.24 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1dco n MET 103 Cb 0.54 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1dco n MET 103 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73