#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dco n ARG 7 N 0.00 0.00 -2.42 -0.41 3.00 -1.25 -4.45 116.66 111.13 1dco n ARG 7 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1dco n ARG 7 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1dco n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1dco s LEU 8 N 0.00 4.30 0.01 6.15 1.43 -0.79 -4.96 118.68 124.83 1dco s LEU 8 Ca 0.00 1.90 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 1dco s LEU 8 Cb 0.00 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1dco s LEU 8 CO 0.00 -0.57 0.63 -0.94 0.23 0.00 0.00 176.35 175.70 1dco s SER 9 N 1.44 7.04 0.18 2.29 1.04 -1.26 -4.85 113.70 119.57 1dco s SER 9 Ca 0.58 1.23 0.13 0.00 0.48 0.00 0.00 55.95 58.37 1dco s SER 9 Cb -0.27 -2.39 0.61 0.00 0.10 0.00 0.00 66.02 64.07 1dco s SER 9 CO 0.24 0.09 0.64 0.00 0.98 0.00 0.00 173.24 175.19 1dco n ALA 10 N 2.69 0.55 0.21 5.32 0.00 -1.26 0.37 120.51 128.38 1dco n ALA 10 Ca -0.06 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.82 1dco n ALA 10 Cb 0.51 -0.43 0.42 0.00 0.00 0.00 0.00 19.45 19.94 1dco n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1dco h GLU 11 N 0.00 0.00 0.02 0.00 3.07 -1.99 -2.26 114.58 113.42 1dco h GLU 11 Ca 0.36 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.92 1dco h GLU 11 Cb 1.14 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.01 1dco h GLU 11 CO -0.20 0.30 -1.72 0.93 -1.40 0.00 0.00 179.01 176.92 1dco h GLU 12 N 0.00 0.04 -0.66 2.33 5.08 0.62 -3.33 114.58 118.66 1dco h GLU 12 Ca -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dco h GLU 12 Cb 0.77 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1dco h GLU 12 CO 0.04 0.62 0.38 0.00 -1.00 0.00 0.00 179.01 179.04 1dco h ARG 13 N 0.01 0.90 0.00 2.33 3.08 -1.38 -0.28 114.38 119.04 1dco h ARG 13 Ca -0.29 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1dco h ARG 13 Cb 2.01 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.88 1dco h ARG 13 CO 0.08 0.66 0.00 -0.25 -1.07 0.00 0.00 179.97 179.40 1dco n ASP 14 N -4.55 0.00 -0.00 7.04 10.43 -0.86 -0.75 116.55 127.85 1dco n ASP 14 Ca 0.05 0.37 0.02 0.00 2.57 0.00 0.00 54.79 57.80 1dco n ASP 14 Cb 0.07 -0.43 -0.03 0.00 1.84 0.00 0.00 41.12 42.57 1dco n ASP 14 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dco n GLN 15 N -1.43 0.82 -0.11 -1.24 10.64 -0.88 -4.58 117.38 120.60 1dco n GLN 15 Ca 0.04 -0.03 -0.16 0.00 -1.83 0.00 0.00 57.00 55.02 1dco n GLN 15 Cb 0.14 -1.03 -0.13 0.00 -0.86 0.00 0.00 30.24 28.36 1dco n GLN 15 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1dco n LEU 16 N -1.56 2.26 0.13 2.61 4.77 -0.17 -4.63 117.00 120.41 1dco n LEU 16 Ca -0.00 -0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 1dco n LEU 16 Cb 0.09 -0.59 -0.16 0.00 -2.33 0.00 0.00 43.42 40.43 1dco n LEU 16 CO 0.07 0.83 -0.26 -0.07 -1.33 0.00 0.00 177.39 176.63 1dco h LEU 17 N 0.00 0.79 -1.19 2.23 3.38 -1.11 -3.36 115.31 116.05 1dco h LEU 17 Ca -0.56 -0.92 0.43 0.00 0.09 0.00 0.00 57.88 56.92 1dco h LEU 17 Cb 1.99 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 42.34 1dco h LEU 17 CO -0.05 1.70 0.73 -2.65 0.09 0.00 0.00 178.44 178.26 1dco n PRO 18 N -3.74 -0.04 0.14 1.13 -0.02 -1.26 -1.61 135.00 129.61 1dco n PRO 18 Ca -0.18 1.22 -0.12 0.00 -2.02 0.00 0.00 63.50 62.40 1dco n PRO 18 Cb 1.08 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.35 -0.80 2.55 2.35 -1.87 -2.92 115.58 114.53 1dco h ASN 19 Ca 0.82 -0.19 0.12 0.00 -0.55 0.00 0.00 56.30 56.50 1dco h ASN 19 Cb 2.51 0.09 -0.08 0.00 0.05 0.00 0.00 38.32 40.89 1dco h ASN 19 CO -0.53 0.09 0.42 -0.07 -1.65 0.00 0.00 177.43 175.69 1dco h LEU 20 N -0.90 0.55 -1.12 1.61 3.38 -1.50 -1.76 115.31 115.58 1dco h LEU 20 Ca -0.04 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1dco h LEU 20 Cb 0.52 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1dco h LEU 20 CO 0.07 0.28 0.61 0.03 0.09 0.00 0.00 178.44 179.52 1dco h ARG 21 N 0.67 0.92 0.00 1.13 3.08 -1.34 -1.36 114.38 117.48 1dco h ARG 21 Ca 0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1dco h ARG 21 Cb 0.48 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1dco h ARG 21 CO -0.30 0.61 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 1dco h ALA 22 N 1.54 1.00 -0.35 0.04 0.00 -1.12 -2.96 119.26 117.41 1dco h ALA 22 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1dco h ALA 22 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1dco h ALA 22 CO -0.21 0.00 0.00 1.55 0.00 0.00 0.00 179.25 180.59 1dco n VAL 23 N -3.01 1.33 0.00 0.00 3.14 -0.57 -4.98 118.33 114.24 1dco n VAL 23 Ca 0.00 -1.20 0.00 0.00 -2.96 0.00 0.00 64.34 60.18 1dco n VAL 23 Cb 0.26 0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1dco n VAL 23 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dco n GLY 24 N 0.35 1.73 3.68 7.55 0.00 -1.11 -5.08 105.19 112.32 1dco n GLY 24 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.10 2.78 0.05 1.61 0.52 -0.87 -4.65 118.94 116.29 1dco s TRP 25 Ca 0.00 0.80 0.08 0.00 0.02 0.00 0.00 56.10 57.00 1dco s TRP 25 Cb 0.00 -3.65 -0.03 0.00 -1.15 0.00 0.00 33.47 28.63 1dco s TRP 25 CO 0.00 -2.42 -0.20 -0.80 0.02 0.00 0.00 176.95 173.54 1dco s ASN 26 N 2.02 3.65 -0.15 2.95 0.01 0.15 -3.99 114.94 119.58 1dco s ASN 26 Ca 0.63 -0.49 -0.27 0.00 -0.71 0.00 0.00 52.86 52.03 1dco s ASN 26 Cb -0.30 -0.52 -0.01 0.00 0.41 0.00 0.00 41.25 40.83 1dco s ASN 26 CO 0.25 0.25 0.90 -1.61 -1.51 0.00 0.00 177.10 175.37 1dco s GLU 27 N -1.48 4.34 0.26 -0.60 2.02 -1.26 0.77 118.70 122.74 1dco s GLU 27 Ca 0.14 1.15 -0.30 0.00 0.02 0.00 0.00 54.97 55.99 1dco s GLU 27 Cb -0.10 -3.56 -0.10 0.00 0.10 0.00 0.00 34.13 30.47 1dco s GLU 27 CO 0.05 -0.33 1.37 -0.51 0.02 0.00 0.00 175.26 175.86 1dco s LEU 28 N 2.11 4.41 -0.68 1.80 1.43 -0.48 -4.94 118.68 122.32 1dco s LEU 28 Ca 0.42 2.61 -0.17 0.00 -1.03 0.00 0.00 54.13 55.95 1dco s LEU 28 Cb -0.17 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.56 1dco s LEU 28 CO 0.14 -0.61 0.74 -0.70 0.23 0.00 0.00 176.35 176.15 1dco s GLU 29 N -0.69 3.24 0.00 1.70 -6.30 -1.26 -3.94 118.70 111.44 1dco s GLU 29 Ca 0.56 -1.72 0.00 0.00 -2.50 0.00 0.00 54.97 51.31 1dco s GLU 29 Cb -0.40 -4.40 0.00 0.00 0.00 0.00 0.00 34.13 29.33 1dco s GLU 29 CO 0.45 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.66 1dco n GLY 30 N 5.00 0.45 3.64 -1.50 0.00 -1.26 -5.09 105.19 106.43 1dco n GLY 30 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.68 -1.01 1.61 3.52 -1.25 -5.09 118.95 117.40 1dco s ARG 31 Ca 0.00 1.13 -0.23 0.00 -0.13 0.00 0.00 55.73 56.50 1dco s ARG 31 Cb 0.00 0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1dco s ARG 31 CO 0.00 -0.14 1.73 0.34 -0.81 0.00 0.00 175.30 176.42 1dco s ASP 32 N 1.45 5.83 -0.02 -2.12 2.15 -1.26 -4.12 116.67 118.58 1dco s ASP 32 Ca -0.09 -1.25 -0.30 0.00 0.43 0.00 0.00 52.55 51.35 1dco s ASP 32 Cb -0.05 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.11 1dco s ASP 32 CO -0.17 -2.14 0.95 0.00 -0.17 0.00 0.00 175.17 173.65 1dco s ALA 33 N 7.58 -1.86 0.15 3.66 0.00 -1.26 -3.88 121.76 126.15 1dco s ALA 33 Ca 0.59 1.04 0.09 0.00 0.00 0.00 0.00 51.96 53.68 1dco s ALA 33 Cb -0.02 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1dco s ALA 33 CO -0.02 -0.70 -0.14 0.96 0.00 0.00 0.00 175.76 175.85 1dco s ILE 34 N -3.01 3.00 0.03 0.00 -4.36 -1.02 -1.38 121.20 114.47 1dco s ILE 34 Ca 0.06 -1.59 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1dco s ILE 34 Cb -0.01 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1dco s ILE 34 CO -0.07 -0.01 -0.05 0.12 0.24 0.00 0.00 174.94 175.17 1dco s PHE 35 N -1.44 0.45 -0.28 1.37 5.36 0.23 -0.58 117.98 123.10 1dco s PHE 35 Ca 0.21 -0.57 -0.23 0.00 -0.96 0.00 0.00 56.93 55.38 1dco s PHE 35 Cb -0.10 -0.29 0.09 0.00 -0.34 0.00 0.00 43.02 42.38 1dco s PHE 35 CO 0.13 -0.16 0.81 0.21 -1.46 0.00 0.00 175.22 174.74 1dco s LYS 36 N -1.76 0.71 -0.06 10.12 2.20 -0.92 0.35 119.74 130.38 1dco s LYS 36 Ca -0.11 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1dco s LYS 36 Cb -0.08 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1dco s LYS 36 CO -0.01 -0.10 -0.04 -1.14 -0.36 0.00 0.00 175.35 173.70 1dco s GLN 37 N 0.58 2.80 0.23 4.03 0.74 -1.26 -1.47 119.66 125.31 1dco s GLN 37 Ca -0.01 -0.53 0.12 0.00 0.05 0.00 0.00 55.36 54.99 1dco s GLN 37 Cb -0.05 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.37 1dco s GLN 37 CO -0.05 0.67 -0.22 -0.06 -0.55 0.00 0.00 175.29 175.08 1dco s PHE 38 N -0.88 2.30 -0.00 1.67 0.40 0.99 -4.95 117.98 117.51 1dco s PHE 38 Ca 0.14 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1dco s PHE 38 Cb -0.11 -1.07 -0.00 0.00 0.51 0.00 0.00 43.02 42.34 1dco s PHE 38 CO 0.03 0.60 -0.03 -1.58 0.70 0.00 0.00 175.22 174.94 1dco s HIS 39 N -2.05 0.31 0.32 0.36 2.46 -1.26 -1.12 115.29 114.32 1dco s HIS 39 Ca 0.25 -0.06 0.03 0.00 0.47 0.00 0.00 55.06 55.76 1dco s HIS 39 Cb -0.07 -0.21 -0.06 0.00 -0.13 0.00 0.00 32.58 32.12 1dco s HIS 39 CO 0.12 -0.01 0.07 -0.06 -2.47 0.00 0.00 174.74 172.39 1dco s PHE 40 N -0.04 1.87 0.11 3.88 0.08 0.13 -5.00 117.98 119.02 1dco s PHE 40 Ca 0.01 -1.03 -0.18 0.00 0.12 0.00 0.00 56.93 55.84 1dco s PHE 40 Cb -0.02 -1.21 -0.06 0.00 -0.57 0.00 0.00 43.02 41.17 1dco s PHE 40 CO -0.00 -0.08 1.64 -0.22 -0.10 0.00 0.00 175.22 176.45 1dco h LYS 41 N 2.12 0.42 0.00 0.44 3.64 -1.87 -3.45 116.57 117.87 1dco h LYS 41 Ca -0.40 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1dco h LYS 41 Cb 1.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1dco h LYS 41 CO 0.67 0.47 0.00 -0.40 -2.27 0.00 0.00 179.45 177.91 1dco n ASP 42 N -4.74 0.00 0.05 4.20 5.68 -1.26 -4.90 116.55 115.58 1dco n ASP 42 Ca -0.02 -0.67 -0.15 0.00 -0.50 0.00 0.00 54.79 53.44 1dco n ASP 42 Cb 0.15 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.67 0.37 -0.45 2.11 3.57 -1.92 -2.03 116.94 119.25 1dco h PHE 43 Ca 0.00 -0.27 0.09 0.00 3.53 0.00 0.00 57.97 61.32 1dco h PHE 43 Cb 0.00 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.63 1dco h PHE 43 CO 0.00 1.32 -0.22 -0.97 -2.23 0.00 0.00 178.31 176.21 1dco h ASN 44 N 0.06 -0.76 -0.34 0.41 -0.73 -1.97 0.47 115.58 112.72 1dco h ASN 44 Ca -0.23 0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1dco h ASN 44 Cb 1.99 0.41 -0.01 0.00 0.27 0.00 0.00 38.32 40.97 1dco h ASN 44 CO 0.15 -0.25 0.13 0.03 -0.37 0.00 0.00 177.43 177.12 1dco h ARG 45 N -0.13 0.51 -0.33 6.67 3.08 -1.95 -0.75 114.38 121.49 1dco h ARG 45 Ca 0.21 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1dco h ARG 45 Cb 0.46 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1dco h ARG 45 CO -0.53 0.51 0.10 0.00 -1.07 0.00 0.00 179.97 178.98 1dco h ALA 46 N 0.97 0.37 -0.31 0.04 0.00 -0.40 -1.63 119.26 118.30 1dco h ALA 46 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1dco h ALA 46 Cb 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1dco h ALA 46 CO -0.01 -0.30 0.07 0.35 0.00 0.00 0.00 179.25 179.36 1dco h PHE 47 N 0.23 0.53 -0.67 0.00 3.57 -0.02 -2.20 116.94 118.37 1dco h PHE 47 Ca 0.15 -0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.71 1dco h PHE 47 Cb 0.14 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 1dco h PHE 47 CO -0.15 0.56 0.23 0.78 -2.23 0.00 0.00 178.31 177.49 1dco h GLY 48 N 0.34 0.96 0.93 2.40 0.00 -0.78 -0.64 103.07 106.28 1dco h GLY 48 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1dco h GLY 48 CO 0.00 -0.09 -0.37 -2.75 0.00 0.00 0.00 176.54 173.34 1dco h PHE 49 N 0.37 -0.96 -0.92 5.60 3.57 -1.13 -1.25 116.94 122.23 1dco h PHE 49 Ca 0.36 -0.02 0.24 0.00 3.53 0.00 0.00 57.97 62.09 1dco h PHE 49 Cb 0.52 0.33 -0.13 0.00 2.79 0.00 0.00 35.95 39.46 1dco h PHE 49 CO -0.20 -0.57 0.42 0.52 -2.23 0.00 0.00 178.31 176.25 1dco h MET 50 N -0.96 0.37 -0.10 1.11 2.86 -0.89 0.35 114.93 117.66 1dco h MET 50 Ca -0.09 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1dco h MET 50 Cb 0.76 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1dco h MET 50 CO 0.12 0.24 -0.03 1.15 1.06 0.00 0.00 176.91 179.45 1dco h THR 51 N 0.38 1.30 -0.97 2.22 2.02 -0.74 0.83 112.91 117.96 1dco h THR 51 Ca 0.60 -1.00 0.10 0.00 0.77 0.00 0.00 66.41 66.88 1dco h THR 51 Cb 1.19 1.76 -0.07 0.00 -1.74 0.00 0.00 68.15 69.29 1dco h THR 51 CO -0.56 0.28 0.62 0.03 0.37 0.00 0.00 175.52 176.27 1dco h ARG 52 N -0.13 0.97 -0.36 6.66 2.47 0.07 0.03 114.38 124.08 1dco h ARG 52 Ca 0.02 -0.06 -0.16 0.00 -1.26 0.00 0.00 59.98 58.53 1dco h ARG 52 Cb 0.46 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1dco h ARG 52 CO 0.01 0.64 -0.39 0.28 0.56 0.00 0.00 179.97 181.07 1dco h VAL 53 N 1.00 1.28 0.08 2.04 2.07 0.18 -2.90 116.25 119.99 1dco h VAL 53 Ca 0.45 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.43 1dco h VAL 53 Cb 0.39 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1dco h VAL 53 CO -0.21 0.52 -0.22 0.00 0.02 0.00 0.00 177.57 177.68 1dco h ALA 54 N 0.83 -0.34 -0.82 1.67 0.00 0.25 0.20 119.26 121.05 1dco h ALA 54 Ca 0.06 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.12 1dco h ALA 54 Cb 0.97 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 1dco h ALA 54 CO 0.09 -0.74 0.33 -0.07 0.00 0.00 0.00 179.25 178.87 1dco h LEU 55 N -0.39 0.28 -0.20 0.00 3.38 -1.19 -1.23 115.31 115.97 1dco h LEU 55 Ca 0.04 0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1dco h LEU 55 Cb 0.42 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1dco h LEU 55 CO -0.14 0.06 -0.46 -0.61 0.09 0.00 0.00 178.44 177.37 1dco h GLN 56 N 0.42 0.66 -0.65 1.13 5.75 -1.00 -2.18 115.11 119.24 1dco h GLN 56 Ca 0.48 -0.45 0.10 0.00 -0.15 0.00 0.00 58.65 58.63 1dco h GLN 56 Cb 0.81 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.35 1dco h GLN 56 CO -0.47 1.07 0.28 0.00 -2.65 0.00 0.00 178.83 177.06 1dco h ALA 57 N 0.59 0.88 -0.34 3.38 0.00 0.31 -0.26 119.26 123.81 1dco h ALA 57 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1dco h ALA 57 Cb 1.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1dco h ALA 57 CO 0.10 -0.14 0.09 0.93 0.00 0.00 0.00 179.25 180.23 1dco h GLU 58 N 0.48 0.54 -0.74 0.00 4.39 -1.26 1.13 114.58 119.13 1dco h GLU 58 Ca 0.33 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 59.96 1dco h GLU 58 Cb 0.39 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 1dco h GLU 58 CO -0.30 0.60 0.43 -0.22 -1.16 0.00 0.00 179.01 178.36 1dco h LYS 59 N 0.40 0.75 0.00 2.33 3.64 -0.69 -2.63 116.57 120.37 1dco h LYS 59 Ca 0.11 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1dco h LYS 59 Cb 0.29 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1dco h LYS 59 CO 0.00 0.50 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.07 1dco h LEU 60 N 0.78 0.00 -2.10 5.20 -0.00 -0.94 -3.49 115.31 114.75 1dco h LEU 60 Ca 0.33 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.86 1dco h LEU 60 Cb 0.21 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 40.99 1dco h LEU 60 CO -0.19 0.54 -0.84 -0.67 -0.00 0.00 0.00 178.44 177.28 1dco n ASP 61 N -3.28 -3.31 -3.33 -0.43 2.03 0.38 -5.00 116.55 103.61 1dco n ASP 61 Ca 0.01 -0.77 -0.06 0.00 0.52 0.00 0.00 54.79 54.50 1dco n ASP 61 Cb 0.73 -4.54 -0.06 0.00 -0.72 0.00 0.00 41.12 36.52 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 -3.49 -1.01 0.14 -0.67 2.46 -0.48 -5.04 115.29 107.20 1dco s HIS 62 Ca 0.18 1.11 0.06 0.00 0.47 0.00 0.00 55.06 56.87 1dco s HIS 62 Cb -0.04 0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 32.55 1dco s HIS 62 CO 0.78 -0.74 0.05 -1.01 -2.47 0.00 0.00 174.74 171.36 1dco s HIS 63 N 2.63 3.01 0.34 3.88 3.76 -1.26 -4.37 115.29 123.27 1dco s HIS 63 Ca 0.13 -0.05 0.03 0.00 -0.15 0.00 0.00 55.06 55.02 1dco s HIS 63 Cb -0.15 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 1dco s HIS 63 CO -0.17 0.51 0.51 -1.25 -0.85 0.00 0.00 174.74 173.49 1dco s PRO 64 N -2.80 3.32 -0.44 8.40 0.04 -1.26 -4.74 135.00 137.51 1dco s PRO 64 Ca 0.28 -0.61 -0.09 0.00 0.04 0.00 0.00 61.00 60.63 1dco s PRO 64 Cb -0.10 -2.73 0.10 0.00 0.04 0.00 0.00 34.50 31.81 1dco s PRO 64 CO 0.20 0.12 0.30 -1.21 0.04 0.00 0.00 177.00 176.45 1dco s GLU 65 N -4.25 2.49 0.09 4.56 2.02 -0.50 -4.98 118.70 118.13 1dco s GLU 65 Ca 0.41 -1.65 0.06 0.00 0.02 0.00 0.00 54.97 53.81 1dco s GLU 65 Cb -0.09 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 1dco s GLU 65 CO 0.34 -1.09 -0.16 1.67 0.02 0.00 0.00 175.26 176.03 1dco s TRP 66 N 1.37 1.41 0.09 1.61 1.48 -1.26 -0.51 118.94 123.13 1dco s TRP 66 Ca 0.05 -0.45 0.09 0.00 -1.06 0.00 0.00 56.10 54.72 1dco s TRP 66 Cb -0.25 -0.78 -0.04 0.00 -1.16 0.00 0.00 33.47 31.25 1dco s TRP 66 CO 0.00 0.11 -0.22 0.12 -4.06 0.00 0.00 176.95 172.90 1dco s PHE 67 N -1.31 2.44 -0.07 1.66 5.36 0.86 -4.91 117.98 122.01 1dco s PHE 67 Ca 0.02 -0.32 -0.03 0.00 -0.96 0.00 0.00 56.93 55.64 1dco s PHE 67 Cb -0.10 -1.36 0.04 0.00 -0.34 0.00 0.00 43.02 41.27 1dco s PHE 67 CO 0.03 0.29 0.14 1.21 -1.46 0.00 0.00 175.22 175.43 1dco s ASN 68 N -1.79 0.13 -0.14 6.13 3.84 -1.26 -0.74 114.94 121.12 1dco s ASN 68 Ca 0.15 0.28 -0.00 0.00 0.21 0.00 0.00 52.86 53.50 1dco s ASN 68 Cb -0.10 0.18 0.03 0.00 -0.55 0.00 0.00 41.25 40.80 1dco s ASN 68 CO 0.06 -0.17 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.43 1dco s VAL 69 N 1.45 1.17 0.00 -5.21 1.01 -1.20 -5.03 120.40 112.59 1dco s VAL 69 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1dco s VAL 69 Cb -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1dco s VAL 69 CO -0.06 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.33 1dco n TYR 70 N 4.88 0.00 -0.51 5.22 9.36 -1.26 -1.69 117.16 133.17 1dco n TYR 70 Ca -0.13 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.18 1dco n TYR 70 Cb 0.49 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 39.50 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 6.15 4.14 -4.65 2.98 6.94 -1.26 -4.22 115.26 125.33 1dco n ASN 71 Ca 0.00 -2.29 -0.26 0.00 -0.02 0.00 0.00 54.58 52.01 1dco n ASN 71 Cb 0.00 -0.49 -0.08 0.00 -2.36 0.00 0.00 39.78 36.86 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 -1.55 2.34 -0.15 -3.83 3.01 -0.68 0.22 119.74 119.11 1dco s LYS 72 Ca 0.45 -1.20 -0.06 0.00 -1.01 0.00 0.00 55.97 54.14 1dco s LYS 72 Cb 0.27 -2.29 0.07 0.00 -1.01 0.00 0.00 37.83 34.87 1dco s LYS 72 CO 0.24 0.43 0.32 0.08 0.51 0.00 0.00 175.35 176.93 1dco s VAL 73 N -1.88 -0.43 -0.13 3.17 1.01 -0.27 -3.26 120.40 118.61 1dco s VAL 73 Ca 0.28 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1dco s VAL 73 Cb -0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1dco s VAL 73 CO 0.19 0.09 -0.09 -1.00 0.00 0.00 0.00 175.10 174.29 1dco s HIS 74 N 2.30 2.89 -0.05 5.22 3.76 0.08 -0.00 115.29 129.49 1dco s HIS 74 Ca -0.01 -0.45 0.06 0.00 -0.15 0.00 0.00 55.06 54.50 1dco s HIS 74 Cb -0.12 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 1dco s HIS 74 CO -0.10 -0.09 -0.22 0.42 -0.85 0.00 0.00 174.74 173.90 1dco s ILE 75 N 0.22 2.34 -0.03 0.60 1.01 -0.54 -0.10 121.20 124.71 1dco s ILE 75 Ca -0.06 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.66 1dco s ILE 75 Cb -0.15 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1dco s ILE 75 CO 0.04 0.57 -0.17 -0.89 0.00 0.00 0.00 174.94 174.50 1dco s THR 76 N -0.34 1.36 0.02 2.92 2.01 0.33 -2.16 115.64 119.78 1dco s THR 76 Ca 0.02 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.37 1dco s THR 76 Cb -0.12 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 1dco s THR 76 CO 0.02 0.39 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.40 1dco s LEU 77 N -0.20 2.10 -0.06 4.42 1.43 0.25 -1.41 118.68 125.21 1dco s LEU 77 Ca 0.02 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1dco s LEU 77 Cb -0.09 -0.88 0.11 0.00 0.03 0.00 0.00 46.19 45.37 1dco s LEU 77 CO 0.01 0.17 0.93 -0.55 0.23 0.00 0.00 176.35 177.13 1dco s SER 78 N -0.80 -0.37 -0.33 2.29 0.15 -1.26 -2.43 113.70 110.95 1dco s SER 78 Ca 0.06 0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.78 1dco s SER 78 Cb -0.08 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1dco s SER 78 CO 0.01 -0.52 0.12 -0.89 1.20 0.00 0.00 173.24 173.15 1dco s THR 79 N -2.42 4.06 0.03 6.45 2.01 -0.78 -4.93 115.64 120.06 1dco s THR 79 Ca 0.03 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 1dco s THR 79 Cb -0.01 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.25 1dco s THR 79 CO -0.05 -0.07 1.20 -0.74 -0.69 0.00 0.00 174.62 174.28 1dco h HIS 80 N 8.27 -0.54 0.00 4.92 2.76 -1.95 -0.41 115.15 128.20 1dco h HIS 80 Ca -0.28 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1dco h HIS 80 Cb 1.11 0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.29 1dco h HIS 80 CO 0.60 -0.24 0.00 -1.91 -1.30 0.00 0.00 177.93 175.08 1dco n GLU 81 N -3.51 0.00 0.00 5.26 2.13 -1.26 0.32 120.64 123.58 1dco n GLU 81 Ca -0.04 0.07 0.16 0.00 0.66 0.00 0.00 57.16 58.01 1dco n GLU 81 Cb 0.16 -0.12 0.90 0.00 0.27 0.00 0.00 31.44 32.66 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 -0.95 -1.27 0.00 0.00 0.00 0.95 -4.84 120.51 114.40 1dco n ALA 83 Ca 0.23 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1dco n ALA 83 Cb 0.14 -4.14 0.00 0.00 0.00 0.00 0.00 19.45 15.45 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 -1.62 -0.77 3.74 0.00 0.00 -0.43 -4.89 105.19 101.22 1dco n GLY 84 Ca -0.06 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 3.57 0.24 0.99 1.43 -1.25 -1.87 118.68 121.78 1dco s LEU 85 Ca 0.00 2.49 -0.19 0.00 -1.03 0.00 0.00 54.13 55.40 1dco s LEU 85 Cb 0.00 -4.61 0.02 0.00 0.03 0.00 0.00 46.19 41.64 1dco s LEU 85 CO 0.00 -1.89 0.61 -0.94 0.23 0.00 0.00 176.35 174.36 1dco s SER 86 N -1.58 -0.26 0.29 2.29 1.04 -1.26 -1.88 113.70 112.34 1dco s SER 86 Ca 0.79 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.62 1dco s SER 86 Cb -0.33 0.65 0.61 0.00 0.10 0.00 0.00 66.02 67.04 1dco s SER 86 CO 0.38 -1.19 1.58 -0.33 0.98 0.00 0.00 173.24 174.66 1dco h GLU 87 N 2.10 0.03 -0.88 4.02 5.08 -1.94 -1.25 114.58 121.73 1dco h GLU 87 Ca -0.24 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1dco h GLU 87 Cb 1.26 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 1dco h GLU 87 CO 0.31 0.02 0.52 0.00 -1.00 0.00 0.00 179.01 178.86 1dco h ARG 88 N 0.03 0.83 -0.44 2.33 3.08 -1.96 -0.80 114.38 117.44 1dco h ARG 88 Ca 0.53 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.55 1dco h ARG 88 Cb 1.00 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1dco h ARG 88 CO -0.89 0.55 0.27 -0.44 -1.07 0.00 0.00 179.97 178.38 1dco h ASP 89 N 0.85 0.43 -0.30 7.04 3.32 -1.60 0.11 116.42 126.27 1dco h ASP 89 Ca 0.43 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.50 1dco h ASP 89 Cb 0.41 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1dco h ASP 89 CO -0.26 0.31 0.17 0.40 -1.72 0.00 0.00 179.24 178.15 1dco h ILE 90 N 0.54 1.03 0.86 0.35 1.08 -1.08 -0.57 117.51 119.71 1dco h ILE 90 Ca 0.17 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1dco h ILE 90 Cb -0.00 0.64 0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1dco h ILE 90 CO -0.07 0.06 -0.42 0.78 -0.69 0.00 0.00 178.15 177.81 1dco h ASN 91 N 0.35 -0.99 -0.71 1.72 2.35 -0.86 -0.09 115.58 117.36 1dco h ASN 91 Ca 0.12 0.04 0.16 0.00 -0.55 0.00 0.00 56.30 56.06 1dco h ASN 91 Cb 0.00 0.26 -0.12 0.00 0.05 0.00 0.00 38.32 38.51 1dco h ASN 91 CO -0.06 -0.70 0.02 0.25 -1.65 0.00 0.00 177.43 175.29 1dco h LEU 92 N -1.16 -0.29 0.06 1.61 5.85 -0.76 0.18 115.31 120.80 1dco h LEU 92 Ca -0.12 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1dco h LEU 92 Cb 0.89 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1dco h LEU 92 CO 0.19 -0.15 -0.51 0.00 -0.34 0.00 0.00 178.44 177.64 1dco h ALA 93 N 1.65 -0.95 -0.64 1.25 0.00 -0.81 0.95 119.26 120.70 1dco h ALA 93 Ca 0.38 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1dco h ALA 93 Cb 0.65 0.91 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 1dco h ALA 93 CO -0.61 -1.09 0.22 0.77 0.00 0.00 0.00 179.25 178.54 1dco h SER 94 N -0.68 0.19 -0.41 0.00 0.02 0.42 0.21 113.55 113.30 1dco h SER 94 Ca 0.00 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1dco h SER 94 Cb 0.70 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1dco h SER 94 CO -0.31 0.10 0.24 0.15 -1.14 0.00 0.00 176.83 175.87 1dco h PHE 95 N 0.39 0.55 -0.67 3.45 3.57 0.48 -2.35 116.94 122.35 1dco h PHE 95 Ca 0.33 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.90 1dco h PHE 95 Cb 0.45 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 1dco h PHE 95 CO -0.18 0.40 0.35 0.82 -2.23 0.00 0.00 178.31 177.46 1dco h ILE 96 N 0.54 0.91 -0.26 1.41 2.04 0.27 -1.04 117.51 121.38 1dco h ILE 96 Ca 0.15 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1dco h ILE 96 Cb 0.02 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 36.25 1dco h ILE 96 CO -0.03 0.11 -0.44 -0.33 0.00 0.00 0.00 178.15 177.47 1dco h GLU 97 N 0.63 -0.41 -0.44 2.37 4.39 -0.15 -1.35 114.58 119.62 1dco h GLU 97 Ca 0.31 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.10 1dco h GLU 97 Cb 0.27 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1dco h GLU 97 CO -0.22 -0.27 0.16 1.96 -1.16 0.00 0.00 179.01 179.47 1dco h GLN 98 N -0.43 0.32 -0.52 2.33 4.20 -1.20 -1.95 115.11 117.86 1dco h GLN 98 Ca 0.10 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1dco h GLN 98 Cb 0.61 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1dco h GLN 98 CO -0.48 0.21 0.34 0.28 -0.67 0.00 0.00 178.83 178.51 1dco h VAL 99 N 0.33 1.03 0.14 -0.54 2.07 -0.32 -3.01 116.25 115.95 1dco h VAL 99 Ca 0.20 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1dco h VAL 99 Cb 0.19 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1dco h VAL 99 CO -0.20 0.10 -0.07 0.00 0.02 0.00 0.00 177.57 177.42 1dco h ALA 100 N 1.71 -0.19 -0.65 1.67 0.00 -0.50 -3.02 119.26 118.29 1dco h ALA 100 Ca 0.21 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1dco h ALA 100 Cb 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1dco h ALA 100 CO -0.06 -0.44 0.43 -0.39 0.00 0.00 0.00 179.25 178.80 1dco h VAL 101 N -0.53 0.86 0.00 0.00 -1.51 -1.43 -1.15 116.25 112.49 1dco h VAL 101 Ca -0.02 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.27 1dco h VAL 101 Cb 0.41 0.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1dco h VAL 101 CO 0.03 0.07 -0.23 -1.28 -1.23 0.00 0.00 177.57 174.93 1dco h SER 102 N 0.39 0.00 0.43 4.19 0.87 -1.40 -3.11 113.55 114.92 1dco h SER 102 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1dco h SER 102 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1dco h SER 102 CO -0.09 0.23 -0.59 0.23 -0.53 0.00 0.00 176.83 176.09 1dco n MET 103 N -4.19 0.01 -0.85 2.24 2.81 -0.45 -5.14 117.12 111.54 1dco n MET 103 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1dco n MET 103 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1dco n MET 103 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89