#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 0.23 -0.20 -0.41 3.52 -1.26 -4.43 118.95 116.40 1dco s ARG 7 Ca 0.00 0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.54 1dco s ARG 7 Cb 0.00 -0.69 -0.08 0.00 -1.56 0.00 0.00 34.95 32.62 1dco s ARG 7 CO 0.00 -0.30 2.15 1.28 -0.81 0.00 0.00 175.30 177.61 1dco n LEU 8 N 5.13 3.17 -4.84 -0.88 4.77 -0.96 -4.92 117.00 118.47 1dco n LEU 8 Ca -0.07 0.43 -0.36 0.00 -0.03 0.00 0.00 56.01 55.98 1dco n LEU 8 Cb 0.50 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.06 1dco n LEU 8 CO 0.09 -0.51 0.23 -0.94 -1.33 0.00 0.00 177.39 174.94 1dco s SER 9 N 7.11 6.85 0.15 -1.43 1.04 -1.26 -4.85 113.70 121.31 1dco s SER 9 Ca 1.00 1.09 -0.03 0.00 0.48 0.00 0.00 55.95 58.50 1dco s SER 9 Cb -0.50 -2.29 0.29 0.00 0.10 0.00 0.00 66.02 63.62 1dco s SER 9 CO 0.41 0.13 0.81 0.00 0.98 0.00 0.00 173.24 175.57 1dco n ALA 10 N 0.93 0.17 0.34 5.32 0.00 -1.26 0.80 120.51 126.82 1dco n ALA 10 Ca -0.06 0.57 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 1dco n ALA 10 Cb 0.52 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 1dco n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dco h GLU 11 N 0.00 -1.01 -0.57 0.00 4.81 -1.99 0.24 114.58 116.06 1dco h GLU 11 Ca 0.27 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.68 1dco h GLU 11 Cb 0.47 0.23 -0.11 0.00 0.63 0.00 0.00 28.75 29.96 1dco h GLU 11 CO -0.52 -0.67 -0.29 0.93 -0.73 0.00 0.00 179.01 177.72 1dco h GLU 12 N -1.05 -0.14 -0.25 1.92 5.08 0.01 -0.79 114.58 119.37 1dco h GLU 12 Ca -0.07 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1dco h GLU 12 Cb 0.88 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1dco h GLU 12 CO 0.00 -0.09 -0.16 0.00 -1.00 0.00 0.00 179.01 177.76 1dco h ARG 13 N -0.14 -0.14 0.00 2.33 3.08 -0.57 0.57 114.38 119.50 1dco h ARG 13 Ca 0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1dco h ARG 13 Cb 0.53 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1dco h ARG 13 CO -0.65 -0.09 0.00 0.22 -1.07 0.00 0.00 179.97 178.38 1dco h ASP 14 N -0.15 0.00 0.20 7.04 3.58 0.63 0.14 116.42 127.86 1dco h ASP 14 Ca 0.14 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.24 1dco h ASP 14 Cb 0.36 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1dco h ASP 14 CO -0.34 0.00 -2.00 0.00 -2.88 0.00 0.00 179.24 174.01 1dco n GLN 15 N -2.91 0.71 -0.09 0.28 3.00 -0.34 -4.58 117.38 113.45 1dco n GLN 15 Ca -0.00 0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 57.08 1dco n GLN 15 Cb 0.20 -1.70 -0.08 0.00 0.00 0.00 0.00 30.24 28.66 1dco n GLN 15 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1dco h LEU 16 N 0.04 0.00 -0.71 1.08 3.38 0.39 -3.41 115.31 116.08 1dco h LEU 16 Ca -0.41 -0.40 0.16 0.00 0.09 0.00 0.00 57.88 57.31 1dco h LEU 16 Cb 2.03 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.65 1dco h LEU 16 CO 0.06 1.16 -0.03 -0.07 0.09 0.00 0.00 178.44 179.65 1dco h LEU 17 N -1.00 -0.39 -0.84 1.67 3.38 -0.91 -3.28 115.31 113.94 1dco h LEU 17 Ca -0.18 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1dco h LEU 17 Cb 0.96 0.35 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 1dco h LEU 17 CO -0.11 -0.18 -0.48 1.55 0.09 0.00 0.00 178.44 179.32 1dco h PRO 18 N 0.08 -0.09 -0.08 1.13 0.13 -1.80 0.27 132.00 131.64 1dco h PRO 18 Ca 0.38 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.54 1dco h PRO 18 Cb 0.64 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1dco h PRO 18 CO -0.65 -0.06 0.08 -0.91 -0.23 0.00 0.00 178.00 176.23 1dco h ASN 19 N -0.09 0.00 0.00 1.44 2.35 -1.85 0.39 115.58 117.82 1dco h ASN 19 Ca 0.22 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.80 1dco h ASN 19 Cb 0.53 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 1dco h ASN 19 CO -0.86 0.00 -0.99 -0.07 -1.65 0.00 0.00 177.43 173.86 1dco h LEU 20 N 0.00 0.00 -0.85 1.61 3.38 -1.48 -3.29 115.31 114.68 1dco h LEU 20 Ca 0.04 -0.56 0.20 0.00 0.09 0.00 0.00 57.88 57.65 1dco h LEU 20 Cb 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 1dco h LEU 20 CO -0.00 1.36 -0.00 -0.09 0.09 0.00 0.00 178.44 179.80 1dco h ARG 21 N -1.00 0.07 -0.07 1.13 9.65 -0.25 0.67 114.38 124.58 1dco h ARG 21 Ca -0.27 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.63 1dco h ARG 21 Cb 1.20 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1dco h ARG 21 CO -0.16 0.05 0.08 0.00 2.80 0.00 0.00 179.97 182.74 1dco h ALA 22 N 1.81 1.64 0.00 2.80 0.00 -0.34 -2.89 119.26 122.28 1dco h ALA 22 Ca 0.48 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.22 1dco h ALA 22 Cb 0.88 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1dco h ALA 22 CO -0.77 -0.12 -1.74 1.33 0.00 0.00 0.00 179.25 177.96 1dco n VAL 23 N -3.84 0.93 0.00 0.00 0.24 0.22 -4.94 118.33 110.94 1dco n VAL 23 Ca -0.01 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 1dco n VAL 23 Cb 0.18 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 1.43 -0.40 3.75 7.63 0.00 -0.75 -5.12 105.19 111.73 1dco n GLY 24 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 3.93 0.02 1.61 0.52 -0.60 -4.55 118.94 119.88 1dco s TRP 25 Ca 0.00 1.81 0.01 0.00 0.02 0.00 0.00 56.10 57.94 1dco s TRP 25 Cb 0.00 -2.93 -0.01 0.00 -1.15 0.00 0.00 33.47 29.38 1dco s TRP 25 CO 0.00 0.43 -0.05 -0.80 0.02 0.00 0.00 176.95 176.54 1dco s ASN 26 N -0.93 0.55 0.36 2.95 -0.87 -0.33 -3.74 114.94 112.93 1dco s ASN 26 Ca 0.40 -0.34 -0.25 0.00 -1.57 0.00 0.00 52.86 51.10 1dco s ASN 26 Cb -0.25 0.02 -0.10 0.00 -0.02 0.00 0.00 41.25 40.90 1dco s ASN 26 CO 0.30 -0.12 1.00 -1.61 -2.57 0.00 0.00 177.10 174.09 1dco s GLU 27 N -0.94 4.40 0.45 -0.60 2.02 -1.26 -0.71 118.70 122.06 1dco s GLU 27 Ca -0.07 1.43 0.04 0.00 0.02 0.00 0.00 54.97 56.39 1dco s GLU 27 Cb -0.06 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.48 1dco s GLU 27 CO -0.00 0.09 0.63 -0.51 0.02 0.00 0.00 175.26 175.49 1dco s LEU 28 N -2.31 3.61 -0.26 1.80 1.43 -0.57 -4.94 118.68 117.45 1dco s LEU 28 Ca 0.53 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 1dco s LEU 28 Cb -0.20 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 1dco s LEU 28 CO 0.26 -0.79 0.20 -0.70 0.23 0.00 0.00 176.35 175.54 1dco s GLU 29 N -4.49 4.02 -0.47 1.70 2.12 -1.26 -4.38 118.70 115.95 1dco s GLU 29 Ca 0.52 -0.25 -0.02 0.00 0.36 0.00 0.00 54.97 55.58 1dco s GLU 29 Cb -0.10 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.70 1dco s GLU 29 CO 0.35 -0.06 0.31 0.41 -0.54 0.00 0.00 175.26 175.73 1dco n GLY 30 N 4.60 0.40 0.00 -1.50 0.00 -1.26 -5.00 105.19 102.44 1dco n GLY 30 Ca -0.14 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1dco n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1dco n ARG 31 N -1.90 0.00 -2.19 1.61 0.63 -1.26 -5.11 116.66 108.44 1dco n ARG 31 Ca -0.01 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.57 1dco n ARG 31 Cb 0.53 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.40 1dco n ARG 31 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1dco s ASP 32 N 0.00 5.52 -0.07 6.15 -1.08 -1.26 -4.10 116.67 121.82 1dco s ASP 32 Ca 0.00 -0.44 -0.30 0.00 -0.52 0.00 0.00 52.55 51.29 1dco s ASP 32 Cb 0.00 -2.55 0.12 0.00 -1.46 0.00 0.00 42.92 39.02 1dco s ASP 32 CO 0.00 -2.33 0.98 0.00 0.52 0.00 0.00 175.17 174.35 1dco s ALA 33 N 8.44 -1.90 0.20 3.66 0.00 -1.26 -3.09 121.76 127.81 1dco s ALA 33 Ca 0.61 1.24 0.09 0.00 0.00 0.00 0.00 51.96 53.90 1dco s ALA 33 Cb -0.08 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1dco s ALA 33 CO 0.07 -0.61 -0.06 0.96 0.00 0.00 0.00 175.76 176.12 1dco s ILE 34 N -2.64 3.32 0.05 0.00 -4.36 0.35 -1.51 121.20 116.42 1dco s ILE 34 Ca 0.05 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1dco s ILE 34 Cb -0.01 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 1dco s ILE 34 CO -0.06 -0.17 -0.04 0.12 0.24 0.00 0.00 174.94 175.02 1dco s PHE 35 N -1.86 0.52 -0.21 1.37 5.36 0.12 0.15 117.98 123.42 1dco s PHE 35 Ca 0.27 -0.81 -0.27 0.00 -0.96 0.00 0.00 56.93 55.16 1dco s PHE 35 Cb -0.08 -0.35 0.11 0.00 -0.34 0.00 0.00 43.02 42.36 1dco s PHE 35 CO 0.17 -0.25 0.94 0.21 -1.46 0.00 0.00 175.22 174.84 1dco s LYS 36 N -2.85 0.64 -0.20 10.12 2.20 -0.62 -1.19 119.74 127.83 1dco s LYS 36 Ca -0.01 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 56.01 1dco s LYS 36 Cb -0.00 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 1dco s LYS 36 CO -0.05 -0.14 -0.03 -1.14 -0.36 0.00 0.00 175.35 173.63 1dco s GLN 37 N -0.37 3.50 -0.04 4.03 2.00 -1.26 -1.53 119.66 125.99 1dco s GLN 37 Ca -0.01 -0.58 -0.02 0.00 -2.00 0.00 0.00 55.36 52.75 1dco s GLN 37 Cb -0.03 -3.01 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 1dco s GLN 37 CO -0.01 -0.06 0.10 -0.06 -0.50 0.00 0.00 175.29 174.76 1dco s PHE 38 N 1.15 3.37 -0.27 1.67 0.40 0.08 -4.98 117.98 119.41 1dco s PHE 38 Ca 0.02 0.30 -0.04 0.00 -0.60 0.00 0.00 56.93 56.61 1dco s PHE 38 Cb -0.15 -1.80 0.09 0.00 0.51 0.00 0.00 43.02 41.67 1dco s PHE 38 CO 0.00 0.59 0.12 -1.58 0.70 0.00 0.00 175.22 175.06 1dco s HIS 39 N -1.13 0.32 0.57 0.36 2.46 -1.26 -0.29 115.29 116.32 1dco s HIS 39 Ca 0.20 -0.79 0.02 0.00 0.47 0.00 0.00 55.06 54.96 1dco s HIS 39 Cb -0.12 -0.88 0.11 0.00 -0.13 0.00 0.00 32.58 31.56 1dco s HIS 39 CO 0.11 -0.77 0.78 1.19 -2.47 0.00 0.00 174.74 173.58 1dco n PHE 40 N 5.25 -2.89 0.08 3.88 3.01 0.73 -4.99 117.46 122.53 1dco n PHE 40 Ca -0.06 -1.50 -0.10 0.00 1.01 0.00 0.00 57.45 56.79 1dco n PHE 40 Cb 0.43 -0.57 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 1dco n PHE 40 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1dco h LYS 41 N 0.00 0.24 0.00 -1.08 3.64 -1.98 -3.44 116.57 113.95 1dco h LYS 41 Ca -0.26 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 1dco h LYS 41 Cb 1.00 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1dco h LYS 41 CO 0.30 1.02 0.18 -0.40 -2.27 0.00 0.00 179.45 178.27 1dco n ASP 42 N -3.65 -1.69 0.03 4.20 5.68 -1.26 -4.89 116.55 114.97 1dco n ASP 42 Ca -0.05 -2.23 -0.12 0.00 -0.50 0.00 0.00 54.79 51.90 1dco n ASP 42 Cb 0.84 2.83 -0.00 0.00 -1.14 0.00 0.00 41.12 43.65 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 1.75 0.70 -0.64 2.11 3.57 -1.93 0.29 116.94 122.79 1dco h PHE 43 Ca -0.25 -0.31 0.05 0.00 3.53 0.00 0.00 57.97 60.99 1dco h PHE 43 Cb 0.94 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1dco h PHE 43 CO 0.00 1.09 0.36 -0.97 -2.23 0.00 0.00 178.31 176.57 1dco h ASN 44 N 0.35 0.55 0.05 0.41 -0.73 -1.96 0.25 115.58 114.50 1dco h ASN 44 Ca -0.04 0.02 -0.21 0.00 1.87 0.00 0.00 56.30 57.94 1dco h ASN 44 Cb 1.35 -0.09 0.02 0.00 0.27 0.00 0.00 38.32 39.87 1dco h ASN 44 CO 0.14 0.37 -0.87 0.03 -0.37 0.00 0.00 177.43 176.73 1dco h ARG 45 N 0.69 0.49 -0.65 6.67 3.08 -1.96 -1.28 114.38 121.42 1dco h ARG 45 Ca 0.28 -0.60 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1dco h ARG 45 Cb 0.14 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1dco h ARG 45 CO -0.16 1.23 0.36 0.00 -1.07 0.00 0.00 179.97 180.33 1dco h ALA 46 N 0.28 0.84 -0.31 0.04 0.00 -0.51 0.16 119.26 119.76 1dco h ALA 46 Ca -0.12 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1dco h ALA 46 Cb 1.58 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dco h ALA 46 CO 0.17 0.36 -0.47 0.35 0.00 0.00 0.00 179.25 179.65 1dco h PHE 47 N 0.89 1.02 -0.56 0.00 3.57 -0.58 -0.93 116.94 120.36 1dco h PHE 47 Ca 0.23 -0.34 0.07 0.00 3.53 0.00 0.00 57.97 61.46 1dco h PHE 47 Cb 0.04 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 1dco h PHE 47 CO -0.01 1.14 0.26 0.78 -2.23 0.00 0.00 178.31 178.25 1dco h GLY 48 N 0.80 0.80 1.03 2.40 0.00 -0.87 0.28 103.07 107.52 1dco h GLY 48 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1dco h GLY 48 CO 0.11 0.06 0.43 -2.75 0.00 0.00 0.00 176.54 174.39 1dco h PHE 49 N 0.48 1.20 -0.50 5.60 3.04 -0.44 -2.24 116.94 124.09 1dco h PHE 49 Ca 0.27 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 1dco h PHE 49 Cb 0.24 -0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 1dco h PHE 49 CO -0.13 0.86 0.05 0.52 -2.02 0.00 0.00 178.31 177.59 1dco h MET 50 N 1.20 0.84 0.11 1.11 2.86 0.28 -1.59 114.93 119.74 1dco h MET 50 Ca 0.29 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1dco h MET 50 Cb 0.09 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1dco h MET 50 CO -0.04 0.86 -0.05 1.15 1.06 0.00 0.00 176.91 179.88 1dco h THR 51 N 0.71 0.92 -0.81 2.22 2.02 -0.29 0.84 112.91 118.52 1dco h THR 51 Ca 0.15 -0.10 0.10 0.00 0.77 0.00 0.00 66.41 67.33 1dco h THR 51 Cb 0.44 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 1dco h THR 51 CO 0.02 0.02 0.45 0.03 0.37 0.00 0.00 175.52 176.41 1dco h ARG 52 N -0.19 0.72 -0.43 6.66 3.08 -1.26 0.51 114.38 123.47 1dco h ARG 52 Ca -0.01 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1dco h ARG 52 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1dco h ARG 52 CO 0.02 0.48 0.03 0.28 -1.07 0.00 0.00 179.97 179.71 1dco h VAL 53 N 0.74 1.25 -0.39 2.04 2.07 -0.70 -2.90 116.25 118.36 1dco h VAL 53 Ca 0.40 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1dco h VAL 53 Cb 0.40 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1dco h VAL 53 CO -0.27 0.33 -0.25 0.00 0.02 0.00 0.00 177.57 177.41 1dco h ALA 54 N 0.92 -0.02 -0.38 1.67 0.00 0.17 0.17 119.26 121.78 1dco h ALA 54 Ca 0.13 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.23 1dco h ALA 54 Cb 0.44 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1dco h ALA 54 CO 0.02 -0.63 -0.42 -0.07 0.00 0.00 0.00 179.25 178.14 1dco h LEU 55 N -0.19 -1.39 -0.64 0.00 3.38 -0.79 0.15 115.31 115.83 1dco h LEU 55 Ca 0.19 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 1dco h LEU 55 Cb 0.48 0.61 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1dco h LEU 55 CO -0.50 -0.37 0.32 -0.61 0.09 0.00 0.00 178.44 177.37 1dco h GLN 56 N -0.33 0.92 -0.83 1.13 5.75 -1.25 0.11 115.11 120.60 1dco h GLN 56 Ca 0.14 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1dco h GLN 56 Cb 0.58 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1dco h GLN 56 CO -0.56 0.73 0.49 0.00 -2.65 0.00 0.00 178.83 176.84 1dco h ALA 57 N 1.14 1.29 -0.28 3.38 0.00 -0.63 0.27 119.26 124.43 1dco h ALA 57 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1dco h ALA 57 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1dco h ALA 57 CO -0.03 0.60 0.04 1.49 0.00 0.00 0.00 179.25 181.35 1dco h GLU 58 N 1.15 0.47 -0.83 0.00 4.57 -0.39 0.54 114.58 120.09 1dco h GLU 58 Ca 0.30 -0.13 0.12 0.00 -1.18 0.00 0.00 59.36 58.47 1dco h GLU 58 Cb -0.02 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.43 1dco h GLU 58 CO -0.05 0.59 0.45 -0.22 -1.18 0.00 0.00 179.01 178.59 1dco h LYS 59 N 0.29 0.68 0.00 1.92 3.64 0.38 -2.34 116.57 121.14 1dco h LYS 59 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1dco h LYS 59 Cb 0.35 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1dco h LYS 59 CO 0.01 0.45 -0.82 1.28 -2.27 0.00 0.00 179.45 178.09 1dco n LEU 60 N -4.81 0.63 -2.97 5.20 4.77 0.84 -4.96 117.00 115.70 1dco n LEU 60 Ca 0.15 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 1dco n LEU 60 Cb 0.35 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1dco n LEU 60 CO 0.24 0.08 0.16 -0.67 -1.33 0.00 0.00 177.39 175.87 1dco n ASP 61 N -1.80 -4.41 -3.70 -1.43 2.03 0.18 -4.99 116.55 102.42 1dco n ASP 61 Ca 0.03 -0.45 -0.27 0.00 0.52 0.00 0.00 54.79 54.62 1dco n ASP 61 Cb 0.40 -4.16 -0.17 0.00 -0.72 0.00 0.00 41.12 36.47 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 -3.27 0.83 0.01 -0.67 2.46 -0.80 -5.05 115.29 108.81 1dco s HIS 62 Ca 0.32 -0.73 0.02 0.00 0.47 0.00 0.00 55.06 55.14 1dco s HIS 62 Cb -0.14 -0.95 -0.04 0.00 -0.13 0.00 0.00 32.58 31.32 1dco s HIS 62 CO 0.58 -0.59 -0.02 -1.01 -2.47 0.00 0.00 174.74 171.23 1dco s HIS 63 N 1.92 3.00 0.18 3.88 3.76 -1.26 -4.39 115.29 122.38 1dco s HIS 63 Ca -0.00 0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 54.87 1dco s HIS 63 Cb -0.17 -1.63 -0.06 0.00 1.11 0.00 0.00 32.58 31.83 1dco s HIS 63 CO -0.08 0.43 0.46 -1.25 -0.85 0.00 0.00 174.74 173.45 1dco s PRO 64 N -1.60 3.70 -0.42 8.40 0.04 -1.26 -4.89 135.00 138.97 1dco s PRO 64 Ca 0.19 0.08 -0.20 0.00 0.04 0.00 0.00 61.00 61.11 1dco s PRO 64 Cb -0.11 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.69 1dco s PRO 64 CO 0.10 0.39 0.63 -1.21 0.04 0.00 0.00 177.00 176.95 1dco s GLU 65 N -2.75 3.36 0.05 4.56 2.02 -1.07 -4.98 118.70 119.90 1dco s GLU 65 Ca 0.44 -0.30 -0.09 0.00 0.02 0.00 0.00 54.97 55.04 1dco s GLU 65 Cb -0.12 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.20 1dco s GLU 65 CO 0.23 -0.94 0.19 1.67 0.02 0.00 0.00 175.26 176.44 1dco s TRP 66 N 2.76 0.08 0.00 1.61 -2.14 -1.26 -1.18 118.94 118.81 1dco s TRP 66 Ca 0.22 -0.37 0.03 0.00 2.66 0.00 0.00 56.10 58.64 1dco s TRP 66 Cb -0.14 -0.04 -0.01 0.00 -3.10 0.00 0.00 33.47 30.18 1dco s TRP 66 CO 0.18 -0.47 -0.09 0.12 -2.66 0.00 0.00 176.95 174.03 1dco s PHE 67 N -2.97 0.83 0.02 1.66 2.19 -0.67 -5.00 117.98 114.04 1dco s PHE 67 Ca -0.02 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.04 1dco s PHE 67 Cb 0.01 -0.53 -0.02 0.00 -1.31 0.00 0.00 43.02 41.17 1dco s PHE 67 CO -0.06 -0.01 -0.03 1.21 1.83 0.00 0.00 175.22 178.16 1dco s ASN 68 N -0.42 0.26 -0.17 6.13 3.84 -1.26 -0.59 114.94 122.73 1dco s ASN 68 Ca 0.02 -0.46 -0.04 0.00 0.21 0.00 0.00 52.86 52.59 1dco s ASN 68 Cb -0.04 0.09 0.08 0.00 -0.55 0.00 0.00 41.25 40.82 1dco s ASN 68 CO -0.00 -0.27 0.23 -0.69 -2.79 0.00 0.00 177.10 173.59 1dco s VAL 69 N -1.32 -0.35 0.00 -5.21 1.01 -1.04 -5.02 120.40 108.46 1dco s VAL 69 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1dco s VAL 69 Cb -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1dco s VAL 69 CO -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.02 1dco n TYR 70 N 5.33 0.00 -0.34 5.22 9.36 -1.26 -1.75 117.16 133.72 1dco n TYR 70 Ca -0.05 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.23 1dco n TYR 70 Cb 0.50 0.00 0.31 0.00 -0.63 0.00 0.00 39.34 39.51 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 6.77 4.36 -4.40 2.98 6.94 -1.26 -4.41 115.26 126.24 1dco n ASN 71 Ca 0.00 -2.55 -0.30 0.00 -0.02 0.00 0.00 54.58 51.71 1dco n ASN 71 Cb 0.00 -0.58 -0.14 0.00 -2.36 0.00 0.00 39.78 36.70 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 -2.10 1.84 -0.16 -3.83 1.02 -0.72 -0.19 119.74 115.60 1dco s LYS 72 Ca 0.42 -1.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.27 1dco s LYS 72 Cb 0.30 -2.05 0.08 0.00 -0.52 0.00 0.00 37.83 35.64 1dco s LYS 72 CO 0.16 0.51 0.27 0.08 -0.92 0.00 0.00 175.35 175.45 1dco s VAL 73 N -0.90 -0.42 -0.25 3.17 1.01 0.61 -2.51 120.40 121.12 1dco s VAL 73 Ca 0.13 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1dco s VAL 73 Cb -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1dco s VAL 73 CO 0.04 -0.00 0.16 -1.00 0.00 0.00 0.00 175.10 174.30 1dco s HIS 74 N 2.41 3.29 -0.07 5.22 3.76 0.24 -0.74 115.29 129.40 1dco s HIS 74 Ca 0.04 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 1dco s HIS 74 Cb -0.13 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1dco s HIS 74 CO -0.10 0.02 -0.16 0.42 -0.85 0.00 0.00 174.74 174.07 1dco s ILE 75 N 1.18 2.89 -0.09 0.60 1.01 -0.58 -1.68 121.20 124.53 1dco s ILE 75 Ca 0.07 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1dco s ILE 75 Cb -0.14 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1dco s ILE 75 CO 0.06 0.57 -0.12 -0.89 0.00 0.00 0.00 174.94 174.55 1dco s THR 76 N -0.34 1.25 -0.17 2.92 2.01 -0.32 -1.59 115.64 119.39 1dco s THR 76 Ca 0.03 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1dco s THR 76 Cb -0.13 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.22 1dco s THR 76 CO 0.02 0.39 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.46 1dco s LEU 77 N 1.04 2.60 -0.18 4.42 1.43 0.41 -2.60 118.68 125.78 1dco s LEU 77 Ca -0.07 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 1dco s LEU 77 Cb -0.15 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.51 1dco s LEU 77 CO -0.01 0.06 0.47 -0.55 0.23 0.00 0.00 176.35 176.55 1dco s SER 78 N 0.99 -0.55 0.05 2.29 0.15 -1.26 -0.49 113.70 114.88 1dco s SER 78 Ca -0.01 0.99 -0.26 0.00 0.70 0.00 0.00 55.95 57.36 1dco s SER 78 Cb -0.15 0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 65.04 1dco s SER 78 CO -0.02 -0.18 0.82 -0.89 1.20 0.00 0.00 173.24 174.17 1dco s THR 79 N 0.82 4.70 0.16 6.45 2.01 0.30 -4.92 115.64 125.17 1dco s THR 79 Ca -0.05 1.75 -0.14 0.00 0.31 0.00 0.00 61.69 63.56 1dco s THR 79 Cb -0.05 -4.17 0.05 0.00 0.01 0.00 0.00 72.50 68.34 1dco s THR 79 CO -0.06 0.34 1.77 0.45 -0.69 0.00 0.00 174.62 176.42 1dco h HIS 80 N 5.77 0.73 0.00 4.92 3.86 -1.96 -1.49 115.15 126.98 1dco h HIS 80 Ca -0.43 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1dco h HIS 80 Cb 1.21 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1dco h HIS 80 CO 0.65 0.55 0.00 0.39 0.86 0.00 0.00 177.93 180.38 1dco n GLU 81 N -4.62 0.00 -0.06 2.45 1.02 -1.26 -3.29 120.64 114.88 1dco n GLU 81 Ca 0.03 0.31 0.24 0.00 -0.02 0.00 0.00 57.16 57.72 1dco n GLU 81 Cb 0.09 -1.13 0.60 0.00 -0.02 0.00 0.00 31.44 30.98 1dco n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dco n ALA 83 N -2.28 -0.75 -3.00 0.00 0.00 -0.59 -4.91 120.51 108.97 1dco n ALA 83 Ca 0.15 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1dco n ALA 83 Cb 1.08 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 -1.37 1.67 3.78 0.00 0.00 -1.01 -4.50 105.19 103.77 1dco n GLY 84 Ca -0.07 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 4.18 0.38 0.99 1.43 -1.18 -0.54 118.68 123.94 1dco s LEU 85 Ca 0.00 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.21 1dco s LEU 85 Cb 0.00 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 1dco s LEU 85 CO 0.00 -0.48 0.09 -0.94 0.23 0.00 0.00 176.35 175.25 1dco s SER 86 N -1.48 2.71 0.55 2.29 1.04 -1.26 -2.27 113.70 115.27 1dco s SER 86 Ca 0.57 -1.55 0.29 0.00 0.48 0.00 0.00 55.95 55.74 1dco s SER 86 Cb -0.23 0.27 1.59 0.00 0.10 0.00 0.00 66.02 67.75 1dco s SER 86 CO 0.29 -0.79 2.13 -0.33 0.98 0.00 0.00 173.24 175.52 1dco h GLU 87 N 1.89 0.00 -0.51 4.02 5.08 -1.98 -1.17 114.58 121.92 1dco h GLU 87 Ca -0.38 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1dco h GLU 87 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1dco h GLU 87 CO 0.63 0.08 0.34 0.00 -1.00 0.00 0.00 179.01 179.06 1dco h ARG 88 N 0.00 0.62 -0.14 2.33 3.08 -1.97 -2.51 114.38 115.78 1dco h ARG 88 Ca -0.00 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 1dco h ARG 88 Cb 0.24 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1dco h ARG 88 CO 0.01 0.41 -0.75 -0.44 -1.07 0.00 0.00 179.97 178.13 1dco h ASP 89 N 0.64 0.90 -0.87 7.04 3.32 -1.60 -2.87 116.42 122.99 1dco h ASP 89 Ca 0.20 -0.64 0.12 0.00 0.02 0.00 0.00 57.03 56.73 1dco h ASP 89 Cb 0.00 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.22 1dco h ASP 89 CO -0.05 1.39 0.56 0.40 -1.72 0.00 0.00 179.24 179.83 1dco h ILE 90 N 0.47 0.89 0.16 0.35 1.08 -1.44 -0.24 117.51 118.78 1dco h ILE 90 Ca -0.05 -0.26 -0.36 0.00 -0.39 0.00 0.00 64.86 63.81 1dco h ILE 90 Cb 1.38 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1dco h ILE 90 CO 0.15 0.14 -1.85 -0.55 -0.69 0.00 0.00 178.15 175.35 1dco h ASN 91 N 0.74 0.53 -0.96 1.72 7.08 -1.53 -1.40 115.58 121.75 1dco h ASN 91 Ca 0.42 -0.93 0.08 0.00 -3.08 0.00 0.00 56.30 52.79 1dco h ASN 91 Cb 0.59 -0.17 -0.07 0.00 -2.08 0.00 0.00 38.32 36.59 1dco h ASN 91 CO -0.19 1.80 0.61 0.25 -2.08 0.00 0.00 177.43 177.83 1dco h LEU 92 N 0.09 0.96 -0.05 6.14 5.85 -1.31 1.19 115.31 128.18 1dco h LEU 92 Ca -0.38 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1dco h LEU 92 Cb 2.07 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 1dco h LEU 92 CO 0.14 0.59 0.01 0.00 -0.34 0.00 0.00 178.44 178.85 1dco h ALA 93 N 1.46 0.06 -0.98 1.25 0.00 -1.10 1.62 119.26 121.57 1dco h ALA 93 Ca 0.43 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.34 1dco h ALA 93 Cb 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1dco h ALA 93 CO -0.19 -0.33 0.61 1.03 0.00 0.00 0.00 179.25 180.37 1dco h SER 94 N -0.12 0.91 0.02 0.00 0.87 -0.01 0.42 113.55 115.63 1dco h SER 94 Ca 0.02 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1dco h SER 94 Cb 0.21 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1dco h SER 94 CO -0.00 0.50 -0.01 0.15 -0.53 0.00 0.00 176.83 176.94 1dco h PHE 95 N 0.99 -0.02 -1.01 2.24 3.57 0.20 -2.24 116.94 120.66 1dco h PHE 95 Ca 0.48 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.22 1dco h PHE 95 Cb 0.44 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.08 1dco h PHE 95 CO -0.01 0.36 0.63 0.82 -2.23 0.00 0.00 178.31 177.88 1dco h ILE 96 N -0.41 0.57 -0.50 1.41 2.04 0.43 0.27 117.51 121.32 1dco h ILE 96 Ca -0.00 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1dco h ILE 96 Cb 0.40 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1dco h ILE 96 CO 0.00 0.10 -0.12 -0.33 0.00 0.00 0.00 178.15 177.80 1dco h GLU 97 N 0.54 0.94 -0.70 2.37 4.39 0.19 -0.86 114.58 121.44 1dco h GLU 97 Ca 0.60 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1dco h GLU 97 Cb 1.26 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 1dco h GLU 97 CO -0.37 1.00 0.44 1.96 -1.16 0.00 0.00 179.01 180.88 1dco h GLN 98 N 0.84 0.95 -0.32 2.33 1.08 0.08 -2.79 115.11 117.27 1dco h GLN 98 Ca 0.13 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1dco h GLN 98 Cb 0.66 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1dco h GLN 98 CO 0.05 0.66 0.15 0.28 -0.95 0.00 0.00 178.83 179.01 1dco h VAL 99 N 0.96 1.17 0.80 -0.54 2.07 -1.06 -3.11 116.25 116.53 1dco h VAL 99 Ca 0.25 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1dco h VAL 99 Cb -0.05 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1dco h VAL 99 CO -0.05 0.18 -0.44 0.00 0.02 0.00 0.00 177.57 177.27 1dco h ALA 100 N 1.00 -1.18 0.00 1.67 0.00 -0.91 -2.24 119.26 117.60 1dco h ALA 100 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dco h ALA 100 Cb 0.14 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dco h ALA 100 CO -0.01 -1.17 0.29 -0.39 0.00 0.00 0.00 179.25 177.96 1dco h VAL 101 N -1.16 0.00 0.21 0.00 -1.51 -1.59 0.51 116.25 112.72 1dco h VAL 101 Ca -0.11 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 1dco h VAL 101 Cb 0.91 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1dco h VAL 101 CO 0.14 0.00 -0.10 0.77 -1.23 0.00 0.00 177.57 177.15 1dco h SER 102 N 0.00 -0.24 0.00 4.19 4.64 -1.33 -3.38 113.55 117.43 1dco h SER 102 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1dco h SER 102 Cb 0.58 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1dco h SER 102 CO 0.00 0.20 0.00 0.23 -0.87 0.00 0.00 176.83 176.39 1dco n MET 103 N -5.02 0.00 0.00 4.77 2.81 0.14 -5.14 117.12 114.67 1dco n MET 103 Ca -0.09 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1dco n MET 103 Cb 0.26 -1.00 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 2.41 1.51 0.00 0.00 175.97 179.89