#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 0.52 -1.24 -1.40 0.63 -1.24 -4.59 116.66 109.34 1dco n ARG 7 Ca 0.00 0.19 -0.35 0.00 -0.92 0.00 0.00 57.85 56.77 1dco n ARG 7 Cb 0.00 -1.79 0.10 0.00 0.45 0.00 0.00 32.46 31.23 1dco n ARG 7 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1dco n LEU 8 N 4.99 3.57 -4.96 6.15 4.77 -0.08 -5.00 117.00 126.44 1dco n LEU 8 Ca 0.31 0.62 -0.22 0.00 -0.03 0.00 0.00 56.01 56.69 1dco n LEU 8 Cb 0.03 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1dco n LEU 8 CO 0.86 -2.03 0.17 -0.94 -1.33 0.00 0.00 177.39 174.12 1dco s SER 9 N -1.82 5.99 0.60 -1.43 1.04 -1.26 -4.84 113.70 111.98 1dco s SER 9 Ca 0.72 0.15 0.37 0.00 0.48 0.00 0.00 55.95 57.68 1dco s SER 9 Cb -0.32 -1.56 2.01 0.00 0.10 0.00 0.00 66.02 66.25 1dco s SER 9 CO 0.51 -0.50 2.13 0.00 0.98 0.00 0.00 173.24 176.36 1dco h ALA 10 N 0.67 1.07 0.00 5.32 0.00 -1.97 0.80 119.26 125.15 1dco h ALA 10 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1dco h ALA 10 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1dco h ALA 10 CO 0.57 -0.07 -0.14 1.49 0.00 0.00 0.00 179.25 181.10 1dco h GLU 11 N 0.00 0.00 -0.57 0.00 4.81 -1.97 0.95 114.58 117.80 1dco h GLU 11 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1dco h GLU 11 Cb 0.15 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.42 1dco h GLU 11 CO 0.00 0.80 -0.31 0.93 -0.73 0.00 0.00 179.01 179.70 1dco h GLU 12 N -1.00 -0.15 0.20 1.92 5.08 -1.67 0.25 114.58 119.21 1dco h GLU 12 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1dco h GLU 12 Cb 0.84 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1dco h GLU 12 CO -0.02 -0.10 -0.17 0.00 -1.00 0.00 0.00 179.01 177.72 1dco h ARG 13 N -0.15 -0.37 -0.16 2.33 3.08 0.53 0.15 114.38 119.79 1dco h ARG 13 Ca 0.24 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.36 1dco h ARG 13 Cb 0.54 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1dco h ARG 13 CO -0.66 -0.25 0.28 -0.44 -1.07 0.00 0.00 179.97 177.83 1dco h ASP 14 N -0.38 0.00 0.00 7.04 3.32 0.50 0.18 116.42 127.08 1dco h ASP 14 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1dco h ASP 14 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1dco h ASP 14 CO -0.03 0.00 -1.53 0.00 -1.72 0.00 0.00 179.24 175.97 1dco n GLN 15 N -3.42 0.71 -0.09 3.56 10.64 0.75 -4.48 117.38 125.05 1dco n GLN 15 Ca 0.01 -0.11 -0.09 0.00 -1.83 0.00 0.00 57.00 54.98 1dco n GLN 15 Cb 0.38 -1.42 -0.12 0.00 -0.86 0.00 0.00 30.24 28.23 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 -1.91 0.65 0.02 2.61 4.77 0.45 -4.69 117.00 118.90 1dco n LEU 16 Ca -0.01 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.75 1dco n LEU 16 Cb 0.42 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 1dco n LEU 16 CO 0.39 0.50 0.15 -0.07 -1.33 0.00 0.00 177.39 177.02 1dco h LEU 17 N 0.00 0.85 -0.87 2.23 3.38 -0.96 -3.37 115.31 116.56 1dco h LEU 17 Ca -0.44 -0.72 0.22 0.00 0.09 0.00 0.00 57.88 57.03 1dco h LEU 17 Cb 1.94 -0.26 -0.16 0.00 0.09 0.00 0.00 40.66 42.27 1dco h LEU 17 CO 0.00 1.45 -0.04 -2.65 0.09 0.00 0.00 178.44 177.29 1dco n PRO 18 N -3.95 -0.07 0.12 1.13 -0.02 -1.26 -0.54 135.00 130.41 1dco n PRO 18 Ca -0.10 1.32 -0.13 0.00 -2.02 0.00 0.00 63.50 62.56 1dco n PRO 18 Cb 0.82 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.25 -0.70 2.55 2.35 -1.91 0.33 115.58 117.95 1dco h ASN 19 Ca 0.50 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.30 1dco h ASN 19 Cb 0.97 0.08 -0.05 0.00 0.05 0.00 0.00 38.32 39.37 1dco h ASN 19 CO -0.84 -0.17 0.43 -0.07 -1.65 0.00 0.00 177.43 175.13 1dco h LEU 20 N -0.26 0.68 -0.24 1.61 3.38 -1.28 -2.39 115.31 116.82 1dco h LEU 20 Ca -0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1dco h LEU 20 Cb 0.22 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1dco h LEU 20 CO 0.01 0.47 0.01 0.03 0.09 0.00 0.00 178.44 179.04 1dco h ARG 21 N 0.82 0.08 -0.05 1.13 3.08 -0.44 -0.36 114.38 118.65 1dco h ARG 21 Ca 0.29 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.35 1dco h ARG 21 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1dco h ARG 21 CO -0.13 0.05 0.08 0.00 -1.07 0.00 0.00 179.97 178.91 1dco h ALA 22 N 1.20 1.42 -0.21 0.04 0.00 0.13 -1.84 119.26 119.99 1dco h ALA 22 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dco h ALA 22 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dco h ALA 22 CO -0.18 -0.11 0.00 1.55 0.00 0.00 0.00 179.25 180.51 1dco n VAL 23 N -3.51 1.95 0.00 0.00 3.14 -0.29 -4.97 118.33 114.65 1dco n VAL 23 Ca -0.02 -1.78 0.00 0.00 -2.96 0.00 0.00 64.34 59.58 1dco n VAL 23 Cb 0.17 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 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 -0.55 0.76 3.70 7.55 0.00 -0.69 -5.03 105.19 110.93 1dco n GLY 24 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 3.46 -0.08 1.61 0.52 -0.32 -4.75 118.94 117.38 1dco s TRP 25 Ca 0.00 1.48 -0.01 0.00 0.02 0.00 0.00 56.10 57.59 1dco s TRP 25 Cb 0.00 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.02 1dco s TRP 25 CO 0.00 -0.63 -0.02 -0.80 0.02 0.00 0.00 176.95 175.53 1dco s ASN 26 N 1.16 5.09 -0.03 2.95 0.01 -0.31 -4.13 114.94 119.68 1dco s ASN 26 Ca 0.53 0.10 -0.21 0.00 -0.71 0.00 0.00 52.86 52.58 1dco s ASN 26 Cb -0.23 -1.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.99 1dco s ASN 26 CO 0.24 0.37 0.61 -1.61 -1.51 0.00 0.00 177.10 175.20 1dco s GLU 27 N -0.87 4.35 0.66 -0.60 2.02 -1.26 0.81 118.70 123.81 1dco s GLU 27 Ca 0.13 0.74 -0.11 0.00 0.02 0.00 0.00 54.97 55.75 1dco s GLU 27 Cb -0.11 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 1dco s GLU 27 CO 0.02 0.28 1.05 -0.51 0.02 0.00 0.00 175.26 176.12 1dco s LEU 28 N 0.10 3.06 -0.21 1.80 1.43 0.73 -4.94 118.68 120.64 1dco s LEU 28 Ca 0.32 1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 54.58 1dco s LEU 28 Cb -0.18 -4.10 -0.11 0.00 0.03 0.00 0.00 46.19 41.83 1dco s LEU 28 CO 0.17 -1.13 -0.23 -0.62 0.23 0.00 0.00 176.35 174.76 1dco n GLU 29 N -2.87 0.49 0.17 1.70 -0.58 -1.26 -4.36 120.64 113.93 1dco n GLU 29 Ca 0.06 0.16 0.13 0.00 -0.42 0.00 0.00 57.16 57.10 1dco n GLU 29 Cb 0.56 -1.34 0.57 0.00 -0.57 0.00 0.00 31.44 30.66 1dco n GLU 29 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1dco h GLY 30 N 0.34 0.00 -5.07 0.62 0.00 -1.99 -3.42 103.07 93.56 1dco h GLY 30 Ca -0.51 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1dco h GLY 30 CO -0.21 0.00 -0.62 1.09 0.00 0.00 0.00 176.54 176.79 1dco s ARG 31 N -3.45 0.29 -0.75 4.80 1.70 -1.26 -5.09 118.95 115.19 1dco s ARG 31 Ca 0.02 -0.35 -0.24 0.00 -0.47 0.00 0.00 55.73 54.70 1dco s ARG 31 Cb 0.09 0.11 0.06 0.00 -0.57 0.00 0.00 34.95 34.64 1dco s ARG 31 CO 0.38 -0.06 1.14 0.34 -1.08 0.00 0.00 175.30 176.02 1dco s ASP 32 N -1.00 6.24 -0.13 -2.89 2.15 -1.26 -4.30 116.67 115.47 1dco s ASP 32 Ca -0.11 -0.93 -0.30 0.00 0.43 0.00 0.00 52.55 51.64 1dco s ASP 32 Cb -0.07 -2.48 0.12 0.00 -0.30 0.00 0.00 42.92 40.19 1dco s ASP 32 CO 0.00 -1.56 0.96 0.00 -0.17 0.00 0.00 175.17 174.40 1dco s ALA 33 N 4.65 -1.91 0.10 3.66 0.00 -1.26 -3.68 121.76 123.32 1dco s ALA 33 Ca 0.30 1.49 0.06 0.00 0.00 0.00 0.00 51.96 53.82 1dco s ALA 33 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1dco s ALA 33 CO 0.08 -0.37 -0.07 0.96 0.00 0.00 0.00 175.76 176.37 1dco s ILE 34 N -1.41 3.57 0.13 0.00 -4.36 -1.20 0.26 121.20 118.19 1dco s ILE 34 Ca -0.01 -1.19 -0.18 0.00 -0.26 0.00 0.00 60.65 59.01 1dco s ILE 34 Cb -0.00 -2.69 0.04 0.00 1.25 0.00 0.00 42.46 41.06 1dco s ILE 34 CO 0.01 0.11 0.45 0.72 0.24 0.00 0.00 174.94 176.46 1dco s PHE 35 N -1.26 -0.27 -0.04 1.37 -0.71 0.24 -1.79 117.98 115.53 1dco s PHE 35 Ca 0.23 -0.03 -0.25 0.00 -1.04 0.00 0.00 56.93 55.84 1dco s PHE 35 Cb -0.11 0.33 0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1dco s PHE 35 CO 0.15 -0.74 0.54 0.21 -1.34 0.00 0.00 175.22 174.05 1dco s LYS 36 N -3.80 0.92 -0.17 1.99 2.20 0.61 -1.16 119.74 120.34 1dco s LYS 36 Ca 0.03 0.09 -0.06 0.00 -0.36 0.00 0.00 55.97 55.66 1dco s LYS 36 Cb 0.01 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1dco s LYS 36 CO -0.12 -0.28 0.03 -1.14 -0.36 0.00 0.00 175.35 173.49 1dco s GLN 37 N -1.26 3.86 0.08 4.03 0.74 -1.26 -0.23 119.66 125.61 1dco s GLN 37 Ca -0.12 -0.39 0.05 0.00 0.05 0.00 0.00 55.36 54.95 1dco s GLN 37 Cb -0.02 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 1dco s GLN 37 CO 0.08 0.28 -0.02 -0.06 -0.55 0.00 0.00 175.29 175.02 1dco s PHE 38 N 0.32 2.95 -0.04 1.67 0.40 0.13 -4.99 117.98 118.42 1dco s PHE 38 Ca 0.01 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1dco s PHE 38 Cb -0.13 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.88 1dco s PHE 38 CO 0.01 0.46 -0.06 -1.58 0.70 0.00 0.00 175.22 174.75 1dco s HIS 39 N -1.25 0.81 0.35 0.36 2.46 -1.26 -1.34 115.29 115.42 1dco s HIS 39 Ca 0.24 -0.23 0.03 0.00 0.47 0.00 0.00 55.06 55.58 1dco s HIS 39 Cb -0.12 -0.67 -0.05 0.00 -0.13 0.00 0.00 32.58 31.61 1dco s HIS 39 CO 0.16 -0.17 0.08 -0.06 -2.47 0.00 0.00 174.74 172.28 1dco s PHE 40 N 0.73 1.87 0.16 3.88 0.40 0.42 -4.92 117.98 120.52 1dco s PHE 40 Ca -0.10 -1.08 -0.15 0.00 -0.60 0.00 0.00 56.93 55.00 1dco s PHE 40 Cb -0.13 -1.22 0.05 0.00 0.51 0.00 0.00 43.02 42.23 1dco s PHE 40 CO 0.01 -0.11 1.80 0.87 0.70 0.00 0.00 175.22 178.49 1dco h LYS 41 N 2.03 0.50 0.00 0.44 1.57 -1.98 -3.45 116.57 115.67 1dco h LYS 41 Ca -0.39 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.25 1dco h LYS 41 Cb 1.25 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1dco h LYS 41 CO 0.65 0.33 -0.01 -0.40 -0.57 0.00 0.00 179.45 179.45 1dco n ASP 42 N -4.84 -0.87 0.05 0.86 5.68 -1.26 -4.90 116.55 111.26 1dco n ASP 42 Ca 0.02 -1.97 -0.13 0.00 -0.50 0.00 0.00 54.79 52.21 1dco n ASP 42 Cb 0.06 1.55 -0.09 0.00 -1.14 0.00 0.00 41.12 41.50 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 1.54 -0.12 -1.04 2.11 3.57 -1.90 -1.92 116.94 119.18 1dco h PHE 43 Ca -0.15 -0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.71 1dco h PHE 43 Cb 0.64 0.04 -0.16 0.00 2.79 0.00 0.00 35.95 39.27 1dco h PHE 43 CO 0.00 0.22 0.59 -0.97 -2.23 0.00 0.00 178.31 175.93 1dco h ASN 44 N -0.47 0.43 0.18 0.41 -0.73 -1.97 0.47 115.58 113.90 1dco h ASN 44 Ca -0.01 0.20 -0.28 0.00 1.87 0.00 0.00 56.30 58.08 1dco h ASN 44 Cb 0.40 0.17 0.02 0.00 0.27 0.00 0.00 38.32 39.18 1dco h ASN 44 CO 0.02 -0.23 -1.28 0.03 -0.37 0.00 0.00 177.43 175.60 1dco h ARG 45 N 0.20 0.39 -0.19 6.67 3.08 -1.94 -1.94 114.38 120.63 1dco h ARG 45 Ca 0.78 -0.66 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1dco h ARG 45 Cb 1.95 0.25 -0.05 0.00 0.08 0.00 0.00 29.97 32.20 1dco h ARG 45 CO -0.63 1.32 -0.11 0.00 -1.07 0.00 0.00 179.97 179.47 1dco h ALA 46 N 0.08 0.04 -0.33 0.04 0.00 -0.05 1.87 119.26 120.92 1dco h ALA 46 Ca -0.24 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1dco h ALA 46 Cb 1.91 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1dco h ALA 46 CO 0.18 -0.54 -0.47 0.35 0.00 0.00 0.00 179.25 178.77 1dco h PHE 47 N -0.10 1.11 -0.58 0.00 3.57 -0.29 0.14 116.94 120.78 1dco h PHE 47 Ca 0.11 -0.37 0.08 0.00 3.53 0.00 0.00 57.97 61.32 1dco h PHE 47 Cb 0.27 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 1dco h PHE 47 CO -0.27 1.20 0.24 0.78 -2.23 0.00 0.00 178.31 178.03 1dco h GLY 48 N 0.74 0.81 1.04 2.40 0.00 -0.82 0.12 103.07 107.36 1dco h GLY 48 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1dco h GLY 48 CO 0.11 0.02 0.19 -2.75 0.00 0.00 0.00 176.54 174.11 1dco h PHE 49 N 0.44 1.13 -0.79 5.60 3.57 0.36 -2.94 116.94 124.31 1dco h PHE 49 Ca 0.28 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1dco h PHE 49 Cb 0.30 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1dco h PHE 49 CO -0.15 0.91 0.45 0.52 -2.23 0.00 0.00 178.31 177.82 1dco h MET 50 N 1.02 1.10 -0.28 1.11 2.86 0.48 -1.83 114.93 119.37 1dco h MET 50 Ca 0.22 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1dco h MET 50 Cb 0.33 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1dco h MET 50 CO -0.00 0.80 0.09 1.15 1.06 0.00 0.00 176.91 180.00 1dco h THR 51 N 1.09 1.20 -0.29 2.22 2.02 -0.70 0.70 112.91 119.16 1dco h THR 51 Ca 0.28 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1dco h THR 51 Cb 0.01 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1dco h THR 51 CO -0.05 0.22 0.00 0.03 0.37 0.00 0.00 175.52 176.09 1dco h ARG 52 N 0.30 0.44 -0.02 6.66 3.08 -1.45 -1.56 114.38 121.83 1dco h ARG 52 Ca 0.09 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 1dco h ARG 52 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1dco h ARG 52 CO -0.00 0.47 -0.85 0.28 -1.07 0.00 0.00 179.97 178.79 1dco h VAL 53 N 0.42 1.44 -0.83 2.04 2.07 -0.85 -3.15 116.25 117.40 1dco h VAL 53 Ca 0.09 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.15 1dco h VAL 53 Cb 0.28 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 1dco h VAL 53 CO 0.01 0.72 0.41 0.00 0.02 0.00 0.00 177.57 178.73 1dco h ALA 54 N 0.91 1.06 -0.68 1.67 0.00 0.14 0.24 119.26 122.61 1dco h ALA 54 Ca -0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1dco h ALA 54 Cb 1.46 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1dco h ALA 54 CO 0.14 0.62 0.12 -0.07 0.00 0.00 0.00 179.25 180.05 1dco h LEU 55 N 1.17 1.07 -0.16 0.00 3.38 -1.41 0.93 115.31 120.28 1dco h LEU 55 Ca 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1dco h LEU 55 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1dco h LEU 55 CO -0.04 1.05 -0.01 -0.61 0.09 0.00 0.00 178.44 178.93 1dco h GLN 56 N 1.04 0.29 -0.93 1.13 5.75 -1.47 0.12 115.11 121.04 1dco h GLN 56 Ca 0.21 -0.10 0.15 0.00 -0.15 0.00 0.00 58.65 58.76 1dco h GLN 56 Cb 0.43 -0.02 -0.10 0.00 1.07 0.00 0.00 27.48 28.86 1dco h GLN 56 CO 0.01 0.53 0.54 0.00 -2.65 0.00 0.00 178.83 177.26 1dco h ALA 57 N 0.76 1.46 -0.13 3.38 0.00 -0.53 0.20 119.26 124.39 1dco h ALA 57 Ca 0.05 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1dco h ALA 57 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dco h ALA 57 CO 0.01 -0.00 -0.70 0.93 0.00 0.00 0.00 179.25 179.49 1dco h GLU 58 N 0.76 0.57 0.03 0.00 4.39 -0.59 -0.89 114.58 118.85 1dco h GLU 58 Ca 0.51 -0.44 0.03 0.00 0.34 0.00 0.00 59.36 59.80 1dco h GLU 58 Cb 0.70 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 1dco h GLU 58 CO -0.35 1.07 -0.33 -0.22 -1.16 0.00 0.00 179.01 178.02 1dco h LYS 59 N 0.40 -0.48 0.00 2.33 3.64 0.14 -2.73 116.57 119.88 1dco h LYS 59 Ca -0.03 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1dco h LYS 59 Cb 1.29 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1dco h LYS 59 CO 0.13 -0.32 -0.09 -0.07 -2.27 0.00 0.00 179.45 176.83 1dco h LEU 60 N -0.50 0.00 -1.88 5.20 3.38 -1.39 -3.48 115.31 116.64 1dco h LEU 60 Ca 0.05 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1dco h LEU 60 Cb 0.58 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.46 1dco h LEU 60 CO -0.26 0.01 -0.58 -0.67 0.09 0.00 0.00 178.44 177.03 1dco n ASP 61 N -2.70 -2.60 -3.51 -0.43 2.03 -0.38 -5.02 116.55 103.95 1dco n ASP 61 Ca 0.04 -0.47 -0.15 0.00 0.52 0.00 0.00 54.79 54.74 1dco n ASP 61 Cb 0.49 -3.94 -0.12 0.00 -0.72 0.00 0.00 41.12 36.84 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 -0.45 -0.06 -0.67 2.46 -0.97 -5.06 115.29 107.27 1dco s HIS 62 Ca 0.06 0.58 -0.00 0.00 0.47 0.00 0.00 55.06 56.17 1dco s HIS 62 Cb -0.01 -0.18 -0.03 0.00 -0.13 0.00 0.00 32.58 32.23 1dco s HIS 62 CO 0.54 -0.56 -0.02 -1.01 -2.47 0.00 0.00 174.74 171.22 1dco s HIS 63 N 2.41 3.08 0.72 3.88 3.76 -1.26 -4.59 115.29 123.29 1dco s HIS 63 Ca 0.07 0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 55.01 1dco s HIS 63 Cb -0.15 -1.74 0.05 0.00 1.11 0.00 0.00 32.58 31.86 1dco s HIS 63 CO -0.12 0.43 1.06 -1.25 -0.85 0.00 0.00 174.74 174.01 1dco s PRO 64 N -1.02 2.32 -0.45 8.40 0.04 -1.26 -4.79 135.00 138.25 1dco s PRO 64 Ca 0.14 0.00 -0.08 0.00 0.04 0.00 0.00 61.00 61.11 1dco s PRO 64 Cb -0.11 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.45 1dco s PRO 64 CO 0.04 -1.25 0.31 -1.21 0.04 0.00 0.00 177.00 174.93 1dco s GLU 65 N -5.33 2.43 0.07 4.56 2.02 -0.61 -5.00 118.70 116.83 1dco s GLU 65 Ca 0.60 -1.71 0.04 0.00 0.02 0.00 0.00 54.97 53.91 1dco s GLU 65 Cb -0.11 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 1dco s GLU 65 CO 0.47 -1.13 -0.10 1.67 0.02 0.00 0.00 175.26 176.19 1dco s TRP 66 N 1.34 0.95 -0.04 1.61 -2.14 -1.26 -1.58 118.94 117.82 1dco s TRP 66 Ca 0.05 -0.53 0.06 0.00 2.66 0.00 0.00 56.10 58.34 1dco s TRP 66 Cb -0.25 -0.54 -0.01 0.00 -3.10 0.00 0.00 33.47 29.57 1dco s TRP 66 CO -0.01 -0.02 -0.23 0.12 -2.66 0.00 0.00 176.95 174.15 1dco s PHE 67 N -1.65 2.18 -0.00 1.66 5.36 -0.56 -4.99 117.98 119.98 1dco s PHE 67 Ca -0.03 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 1dco s PHE 67 Cb -0.08 -1.42 0.00 0.00 -0.34 0.00 0.00 43.02 41.18 1dco s PHE 67 CO 0.01 -0.12 -0.02 1.21 -1.46 0.00 0.00 175.22 174.84 1dco s ASN 68 N -0.32 0.24 -0.25 6.13 3.84 -1.26 -0.23 114.94 123.09 1dco s ASN 68 Ca 0.02 -0.03 -0.03 0.00 0.21 0.00 0.00 52.86 53.03 1dco s ASN 68 Cb -0.11 -0.04 0.08 0.00 -0.55 0.00 0.00 41.25 40.62 1dco s ASN 68 CO 0.01 0.01 0.08 -0.69 -2.79 0.00 0.00 177.10 173.73 1dco s VAL 69 N 0.09 0.35 0.00 -5.21 1.01 -0.63 -5.02 120.40 110.99 1dco s VAL 69 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1dco s VAL 69 Cb -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1dco s VAL 69 CO -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 175.10 174.62 1dco n TYR 70 N 5.09 0.00 0.23 5.22 9.36 -1.26 -1.96 117.16 133.84 1dco n TYR 70 Ca -0.06 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.23 1dco n TYR 70 Cb 0.45 0.00 0.23 0.00 -0.63 0.00 0.00 39.34 39.39 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 8.50 3.08 -4.28 2.98 6.94 -1.26 -4.31 115.26 126.90 1dco n ASN 71 Ca 0.00 -2.19 -0.31 0.00 -0.02 0.00 0.00 54.58 52.07 1dco n ASN 71 Cb 0.00 -0.42 -0.16 0.00 -2.36 0.00 0.00 39.78 36.84 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 -1.59 2.17 -0.15 -3.83 1.02 -0.83 -0.44 119.74 116.09 1dco s LYS 72 Ca 0.34 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 1dco s LYS 72 Cb 0.20 -2.01 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1dco s LYS 72 CO 0.19 0.49 -0.03 0.08 -0.92 0.00 0.00 175.35 175.16 1dco s VAL 73 N -0.46 0.89 -0.26 3.17 1.01 -0.45 -1.61 120.40 122.69 1dco s VAL 73 Ca 0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1dco s VAL 73 Cb -0.11 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1dco s VAL 73 CO 0.00 0.10 0.23 -2.28 0.00 0.00 0.00 175.10 173.15 1dco s HIS 74 N 1.73 3.26 -0.07 5.22 2.46 0.68 0.21 115.29 128.78 1dco s HIS 74 Ca 0.01 0.24 0.04 0.00 0.47 0.00 0.00 55.06 55.82 1dco s HIS 74 Cb -0.15 -2.40 -0.02 0.00 -0.13 0.00 0.00 32.58 29.88 1dco s HIS 74 CO -0.07 -0.11 -0.18 0.42 -2.47 0.00 0.00 174.74 172.33 1dco s ILE 75 N 1.61 2.71 -0.03 0.89 1.01 0.67 -1.50 121.20 126.56 1dco s ILE 75 Ca 0.10 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1dco s ILE 75 Cb -0.15 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1dco s ILE 75 CO 0.09 0.57 -0.17 -0.89 0.00 0.00 0.00 174.94 174.54 1dco s THR 76 N -0.35 1.42 -0.05 2.92 2.01 -0.61 -0.28 115.64 120.69 1dco s THR 76 Ca 0.03 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1dco s THR 76 Cb -0.12 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.19 1dco s THR 76 CO 0.02 0.41 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.48 1dco s LEU 77 N -0.16 1.67 0.20 4.42 1.43 -0.74 -1.58 118.68 123.93 1dco s LEU 77 Ca 0.01 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1dco s LEU 77 Cb -0.09 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1dco s LEU 77 CO 0.01 0.05 0.36 -0.44 0.23 0.00 0.00 176.35 176.55 1dco s SER 78 N 0.53 -0.02 -0.09 2.29 0.01 -1.26 -3.27 113.70 111.89 1dco s SER 78 Ca -0.11 -0.93 -0.00 0.00 1.31 0.00 0.00 55.95 56.22 1dco s SER 78 Cb -0.14 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 1dco s SER 78 CO 0.03 -0.99 -0.06 -0.89 0.41 0.00 0.00 173.24 171.73 1dco s THR 79 N -4.00 3.73 -0.14 1.44 2.01 -1.14 -4.88 115.64 112.64 1dco s THR 79 Ca 0.21 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 1dco s THR 79 Cb 0.02 -2.54 -0.24 0.00 0.01 0.00 0.00 72.50 69.74 1dco s THR 79 CO 0.05 0.58 0.36 -0.74 -0.69 0.00 0.00 174.62 174.18 1dco h HIS 80 N 5.56 0.32 -0.77 4.92 2.76 -1.94 -2.93 115.15 123.07 1dco h HIS 80 Ca -0.45 -0.23 0.23 0.00 -2.20 0.00 0.00 60.37 57.73 1dco h HIS 80 Cb 1.18 -0.01 -0.14 0.00 1.55 0.00 0.00 27.41 29.98 1dco h HIS 80 CO 0.56 1.64 0.09 -1.91 -1.30 0.00 0.00 177.93 177.01 1dco n GLU 81 N -3.90 -0.06 0.00 5.26 2.13 -1.26 -3.59 120.64 119.22 1dco n GLU 81 Ca -0.30 1.14 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1dco n GLU 81 Cb 0.89 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.75 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 -3.00 0.00 0.00 0.00 0.00 -1.19 -5.03 120.51 111.29 1dco n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dco n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.72 3.08 0.00 0.00 -1.11 -4.47 105.19 101.97 1dco n GLY 84 Ca 0.00 -0.41 -0.54 0.00 0.00 0.00 0.00 46.02 45.08 1dco n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dco n LEU 85 N 0.00 0.46 -4.25 0.99 4.77 -1.24 -2.88 117.00 114.84 1dco n LEU 85 Ca 0.00 1.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.84 1dco n LEU 85 Cb 0.00 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.22 1dco n LEU 85 CO 0.00 -1.21 -0.28 -0.94 -1.33 0.00 0.00 177.39 173.63 1dco s SER 86 N 1.16 0.90 0.27 -1.43 1.04 -1.26 -0.90 113.70 113.47 1dco s SER 86 Ca 0.83 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 1dco s SER 86 Cb -1.17 0.21 0.46 0.00 0.10 0.00 0.00 66.02 65.61 1dco s SER 86 CO 0.58 -0.71 1.85 -0.33 0.98 0.00 0.00 173.24 175.61 1dco h GLU 87 N 2.57 0.99 -0.33 4.02 5.08 -1.95 -1.86 114.58 123.10 1dco h GLU 87 Ca -0.37 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1dco h GLU 87 Cb 1.23 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.17 1dco h GLU 87 CO 0.60 0.65 -0.46 0.00 -1.00 0.00 0.00 179.01 178.80 1dco h ARG 88 N 1.02 -0.38 -0.73 2.33 3.08 -1.97 0.64 114.38 118.36 1dco h ARG 88 Ca 0.45 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.61 1dco h ARG 88 Cb 0.33 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1dco h ARG 88 CO -0.22 -0.25 0.38 -0.44 -1.07 0.00 0.00 179.97 178.36 1dco h ASP 89 N -0.39 0.52 -0.17 7.04 3.32 -1.75 -1.89 116.42 123.10 1dco h ASP 89 Ca 0.11 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1dco h ASP 89 Cb 0.60 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1dco h ASP 89 CO -0.54 0.30 -0.19 0.40 -1.72 0.00 0.00 179.24 177.50 1dco h ILE 90 N 0.65 0.51 0.32 0.35 1.08 0.65 -0.91 117.51 120.16 1dco h ILE 90 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 1dco h ILE 90 Cb 0.34 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1dco h ILE 90 CO -0.25 0.00 -0.41 0.78 -0.69 0.00 0.00 178.15 177.57 1dco h ASN 91 N -0.22 -1.16 -0.63 1.72 -0.26 0.53 -2.67 115.58 112.90 1dco h ASN 91 Ca 0.11 0.11 0.09 0.00 -0.56 0.00 0.00 56.30 56.05 1dco h ASN 91 Cb 0.38 0.40 -0.07 0.00 -1.06 0.00 0.00 38.32 37.98 1dco h ASN 91 CO -0.30 -0.54 0.27 0.25 -1.06 0.00 0.00 177.43 176.06 1dco h LEU 92 N -0.78 0.32 -0.73 1.61 5.85 -1.28 -0.93 115.31 119.37 1dco h LEU 92 Ca -0.02 0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.92 1dco h LEU 92 Cb 0.72 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.67 1dco h LEU 92 CO -0.12 0.19 0.18 0.00 -0.34 0.00 0.00 178.44 178.34 1dco h ALA 93 N 1.40 0.94 0.06 1.25 0.00 -0.93 1.65 119.26 123.63 1dco h ALA 93 Ca 0.31 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1dco h ALA 93 Cb 0.34 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dco h ALA 93 CO -0.28 -0.33 -0.03 0.77 0.00 0.00 0.00 179.25 179.38 1dco h SER 94 N 0.27 -0.07 0.24 0.00 0.02 -0.97 0.80 113.55 113.85 1dco h SER 94 Ca 0.41 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1dco h SER 94 Cb 0.69 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1dco h SER 94 CO -0.50 0.16 -0.43 0.15 -1.14 0.00 0.00 176.83 175.06 1dco h PHE 95 N -0.29 -1.21 -0.67 3.45 3.04 -0.35 0.32 116.94 121.23 1dco h PHE 95 Ca -0.01 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.09 1dco h PHE 95 Cb 0.26 0.50 -0.13 0.00 2.56 0.00 0.00 35.95 39.14 1dco h PHE 95 CO -0.00 -0.55 -0.26 0.82 -2.02 0.00 0.00 178.31 176.29 1dco h ILE 96 N -0.75 0.21 -0.62 1.41 2.04 0.26 -0.48 117.51 119.58 1dco h ILE 96 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1dco h ILE 96 Cb 0.72 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1dco h ILE 96 CO -0.18 0.00 0.42 -0.33 0.00 0.00 0.00 178.15 178.06 1dco h GLU 97 N -0.08 0.34 -0.18 2.37 4.39 0.11 -1.65 114.58 119.89 1dco h GLU 97 Ca 0.29 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 1dco h GLU 97 Cb 0.54 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1dco h GLU 97 CO -0.72 0.23 -0.38 1.96 -1.16 0.00 0.00 179.01 178.94 1dco h GLN 98 N 0.36 0.57 -0.87 2.33 4.20 0.12 -3.23 115.11 118.58 1dco h GLN 98 Ca 0.29 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1dco h GLN 98 Cb 0.67 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1dco h GLN 98 CO -0.08 0.99 0.55 0.28 -0.67 0.00 0.00 178.83 179.90 1dco h VAL 99 N 0.22 1.23 -0.10 -0.54 2.07 -0.97 -2.85 116.25 115.31 1dco h VAL 99 Ca 0.00 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1dco h VAL 99 Cb 0.98 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1dco h VAL 99 CO 0.08 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.98 1dco h ALA 100 N 1.30 2.09 0.00 1.67 0.00 -1.33 -1.63 119.26 121.35 1dco h ALA 100 Ca 0.31 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1dco h ALA 100 Cb -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1dco h ALA 100 CO -0.06 -0.11 -0.58 0.28 0.00 0.00 0.00 179.25 178.77 1dco h VAL 101 N 0.01 1.29 -0.16 0.00 2.07 -1.54 -2.27 116.25 115.65 1dco h VAL 101 Ca 0.05 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1dco h VAL 101 Cb 0.18 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1dco h VAL 101 CO -0.00 0.57 -0.11 0.77 0.02 0.00 0.00 177.57 178.82 1dco h SER 102 N 0.00 0.23 0.00 0.57 4.64 -1.32 -3.38 113.55 114.29 1dco h SER 102 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1dco h SER 102 Cb 1.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1dco h SER 102 CO 0.08 0.37 0.00 0.23 -0.87 0.00 0.00 176.83 176.63 1dco n MET 103 N -4.29 0.00 0.00 4.77 2.81 -1.08 -5.15 117.12 114.17 1dco n MET 103 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1dco n MET 103 Cb 0.25 -0.01 0.00 0.00 -0.71 0.00 0.00 33.22 32.75 1dco n MET 103 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73