#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b n VAL 3 N 0.00 0.41 -0.26 12.58 0.31 -1.26 -1.24 118.33 128.87 1d3b n VAL 3 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1d3b n VAL 3 Cb 0.00 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1d3b n VAL 3 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d3b n GLY 4 N 2.74 0.83 2.90 2.92 0.00 -1.26 -5.02 105.19 108.30 1d3b n GLY 4 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1d3b n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d3b s LYS 5 N -0.62 1.30 0.19 1.61 -0.14 -0.38 -5.00 119.74 116.70 1d3b s LYS 5 Ca 0.00 -1.76 -0.14 0.00 -1.36 0.00 0.00 55.97 52.72 1d3b s LYS 5 Cb 0.00 -2.78 0.20 0.00 -1.68 0.00 0.00 37.83 33.56 1d3b s LYS 5 CO 0.00 -1.00 1.68 0.77 -0.76 0.00 0.00 175.35 176.04 1d3b h SER 6 N 7.51 -0.24 -0.72 2.83 0.02 -1.95 -0.38 113.55 120.62 1d3b h SER 6 Ca -0.07 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1d3b h SER 6 Cb 0.99 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 1d3b h SER 6 CO 0.52 -0.08 0.48 0.77 -1.14 0.00 0.00 176.83 177.38 1d3b h SER 7 N 0.11 0.81 0.45 3.07 4.64 -1.95 -1.09 113.55 119.59 1d3b h SER 7 Ca 0.26 -0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 61.31 1d3b h SER 7 Cb 0.39 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1d3b h SER 7 CO -0.43 0.57 -1.06 0.11 -0.87 0.00 0.00 176.83 175.15 1d3b h LYS 8 N 0.95 0.36 -0.20 4.77 1.57 -1.63 -3.27 116.57 119.12 1d3b h LYS 8 Ca 0.27 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1d3b h LYS 8 Cb -0.06 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1d3b h LYS 8 CO -0.07 1.15 -0.22 0.52 -0.57 0.00 0.00 179.45 180.27 1d3b h MET 9 N 0.17 0.35 -0.37 3.15 2.86 -0.69 -2.81 114.93 117.59 1d3b h MET 9 Ca -0.10 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1d3b h MET 9 Cb 1.73 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.35 1d3b h MET 9 CO 0.18 0.56 0.25 1.25 1.06 0.00 0.00 176.91 180.21 1d3b h LEU 10 N 0.32 0.14 -0.39 1.22 5.85 -1.26 -1.01 115.31 120.18 1d3b h LEU 10 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1d3b h LEU 10 Cb 0.57 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1d3b h LEU 10 CO 0.04 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1d3b n GLN 11 N -4.46 0.15 -0.15 1.25 1.13 -1.06 -2.70 117.38 111.53 1d3b n GLN 11 Ca 0.05 0.33 0.11 0.00 -1.94 0.00 0.00 57.00 55.54 1d3b n GLN 11 Cb 0.33 -1.75 0.18 0.00 0.11 0.00 0.00 30.24 29.11 1d3b n GLN 11 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1d3b n HIS 12 N -2.02 0.40 -1.71 1.08 8.25 -0.38 -4.95 115.22 115.88 1d3b n HIS 12 Ca 0.03 -0.22 -0.43 0.00 -0.26 0.00 0.00 57.72 56.85 1d3b n HIS 12 Cb 0.25 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 1d3b n HIS 12 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1d3b n ILE 13 N 1.34 1.66 0.00 1.59 2.08 -1.10 -1.84 119.36 123.09 1d3b n ILE 13 Ca 0.17 -0.41 0.00 0.00 0.56 0.00 0.00 62.75 63.07 1d3b n ILE 13 Cb 0.57 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 1d3b n ILE 13 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1d3b n ASP 14 N 1.18 0.00 -4.76 4.38 8.00 0.15 -4.96 116.55 120.53 1d3b n ASP 14 Ca 0.06 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 1d3b n ASP 14 Cb 0.36 -0.01 0.11 0.00 -0.02 0.00 0.00 41.12 41.55 1d3b n ASP 14 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1d3b s TYR 15 N -2.00 2.60 -0.34 1.24 1.51 -0.77 -4.01 117.35 115.59 1d3b s TYR 15 Ca 0.00 1.30 -0.25 0.00 -1.01 0.00 0.00 57.07 57.11 1d3b s TYR 15 Cb 0.00 -3.10 0.01 0.00 -0.11 0.00 0.00 41.96 38.76 1d3b s TYR 15 CO 0.00 -1.98 0.85 1.03 -1.11 0.00 0.00 175.55 174.34 1d3b s ARG 16 N -5.01 3.88 0.10 -0.62 1.81 0.30 -1.03 118.95 118.38 1d3b s ARG 16 Ca 0.62 0.55 0.09 0.00 -1.72 0.00 0.00 55.73 55.26 1d3b s ARG 16 Cb -0.16 -3.77 -0.04 0.00 -0.45 0.00 0.00 34.95 30.53 1d3b s ARG 16 CO 0.56 -0.82 -0.19 -1.64 -0.68 0.00 0.00 175.30 172.53 1d3b s MET 17 N 3.21 1.82 -0.41 3.54 -1.94 0.93 -0.04 119.30 126.41 1d3b s MET 17 Ca 0.35 -1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 53.03 1d3b s MET 17 Cb -0.13 -2.12 0.02 0.00 2.01 0.00 0.00 34.83 34.62 1d3b s MET 17 CO 0.16 0.49 0.30 0.50 -0.01 0.00 0.00 175.02 176.46 1d3b s ARG 18 N -1.98 2.96 -0.30 2.03 3.52 0.92 -1.81 118.95 124.28 1d3b s ARG 18 Ca 0.17 -1.03 -0.07 0.00 -0.13 0.00 0.00 55.73 54.66 1d3b s ARG 18 Cb -0.11 -3.97 0.01 0.00 -1.56 0.00 0.00 34.95 29.32 1d3b s ARG 18 CO 0.09 -0.76 0.09 0.00 -0.81 0.00 0.00 175.30 173.92 1d3b s ILE 20 N 1.51 4.66 0.72 0.00 1.01 0.46 0.26 121.20 129.82 1d3b s ILE 20 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1d3b s ILE 20 Cb -0.17 -3.13 0.08 0.00 0.01 0.00 0.00 42.46 39.25 1d3b s ILE 20 CO 0.03 0.41 1.03 -0.76 0.00 0.00 0.00 174.94 175.64 1d3b s LEU 21 N 0.84 2.87 0.27 2.97 1.43 -0.36 -1.05 118.68 125.65 1d3b s LEU 21 Ca 0.04 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1d3b s LEU 21 Cb -0.14 -2.84 0.51 0.00 0.03 0.00 0.00 46.19 43.76 1d3b s LEU 21 CO 0.02 -1.72 1.83 -0.61 0.23 0.00 0.00 176.35 176.10 1d3b h GLN 22 N -0.65 0.92 -0.08 1.70 4.15 -1.33 -0.39 115.11 119.42 1d3b h GLN 22 Ca -0.43 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1d3b h GLN 22 Cb 1.30 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1d3b h GLN 22 CO 0.54 0.61 0.00 -0.40 -1.93 0.00 0.00 178.83 177.65 1d3b n ASP 23 N -4.65 0.88 0.00 -0.69 5.68 -1.26 -4.91 116.55 111.59 1d3b n ASP 23 Ca 0.18 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1d3b n ASP 23 Cb 0.33 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1d3b n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d3b n GLY 24 N 0.97 0.68 3.74 6.12 0.00 -0.16 -5.05 105.19 111.50 1d3b n GLY 24 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1d3b n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d3b n ARG 25 N -2.00 2.45 -4.69 1.61 1.74 -1.26 -4.72 116.66 109.79 1d3b n ARG 25 Ca 0.00 0.86 -0.33 0.00 -0.77 0.00 0.00 57.85 57.61 1d3b n ARG 25 Cb 0.00 -2.54 -0.14 0.00 -1.02 0.00 0.00 32.46 28.76 1d3b n ARG 25 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1d3b s ILE 26 N -0.97 3.04 -0.21 0.55 1.01 0.49 -1.23 121.20 123.89 1d3b s ILE 26 Ca 0.56 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 1d3b s ILE 26 Cb -0.52 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1d3b s ILE 26 CO 0.61 0.52 -0.11 -0.36 0.00 0.00 0.00 174.94 175.60 1d3b s PHE 27 N 0.46 2.90 -0.20 3.97 0.40 0.14 -0.17 117.98 125.49 1d3b s PHE 27 Ca -0.09 -1.36 -0.02 0.00 -0.60 0.00 0.00 56.93 54.85 1d3b s PHE 27 Cb -0.16 -2.02 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 1d3b s PHE 27 CO 0.04 -0.69 -0.09 0.42 0.70 0.00 0.00 175.22 175.60 1d3b s ILE 28 N 1.37 3.05 0.35 0.64 1.01 0.62 0.75 121.20 128.98 1d3b s ILE 28 Ca 0.04 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 1d3b s ILE 28 Cb -0.14 -2.36 0.04 0.00 0.01 0.00 0.00 42.46 40.01 1d3b s ILE 28 CO -0.08 0.46 0.72 -0.83 0.00 0.00 0.00 174.94 175.21 1d3b s GLY 29 N 1.30 0.40 -0.36 6.18 0.00 -0.75 -0.82 107.32 113.27 1d3b s GLY 29 Ca 0.04 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.77 1d3b s GLY 29 CO -0.04 -0.36 0.85 -1.59 0.00 0.00 0.00 173.10 171.96 1d3b s THR 30 N -2.88 4.67 -0.45 0.90 2.01 -0.40 -0.05 115.64 119.44 1d3b s THR 30 Ca 0.17 1.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.93 1d3b s THR 30 Cb -0.05 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 1d3b s THR 30 CO 0.11 -0.46 1.63 0.12 -0.69 0.00 0.00 174.62 175.33 1d3b s PHE 31 N 3.25 2.03 -0.10 4.92 5.36 -0.20 -1.23 117.98 132.00 1d3b s PHE 31 Ca 0.34 0.64 0.19 0.00 -0.96 0.00 0.00 56.93 57.14 1d3b s PHE 31 Cb -0.13 -4.22 -0.28 0.00 -0.34 0.00 0.00 43.02 38.05 1d3b s PHE 31 CO 0.17 -2.38 0.27 1.63 -1.46 0.00 0.00 175.22 173.44 1d3b n LYS 32 N 8.53 0.76 -3.59 10.12 4.76 -0.21 0.32 118.16 138.84 1d3b n LYS 32 Ca 0.19 -0.10 -0.05 0.00 -2.87 0.00 0.00 58.31 55.48 1d3b n LYS 32 Cb 0.49 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 1d3b n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1d3b s ALA 33 N -2.96 -1.93 0.22 7.82 0.00 -1.20 -4.84 121.76 118.87 1d3b s ALA 33 Ca -0.08 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 1d3b s ALA 33 Cb 0.10 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1d3b s ALA 33 CO 0.81 -0.78 0.55 -0.59 0.00 0.00 0.00 175.76 175.76 1d3b s PHE 34 N -2.83 -0.03 0.42 0.00 -0.12 -1.26 -0.73 117.98 113.43 1d3b s PHE 34 Ca 0.09 -0.34 0.04 0.00 -0.05 0.00 0.00 56.93 56.67 1d3b s PHE 34 Cb -0.00 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1d3b s PHE 34 CO -0.05 -0.99 0.13 0.16 -0.05 0.00 0.00 175.22 174.42 1d3b s ASP 35 N -2.91 2.85 0.60 1.98 1.47 -0.84 -4.97 116.67 114.84 1d3b s ASP 35 Ca 0.12 -1.70 0.35 0.00 1.18 0.00 0.00 52.55 52.51 1d3b s ASP 35 Cb -0.02 0.54 1.89 0.00 -0.34 0.00 0.00 42.92 45.00 1d3b s ASP 35 CO 0.01 -0.95 2.22 0.07 0.68 0.00 0.00 175.17 177.20 1d3b h LYS 36 N 1.76 0.00 -0.01 2.11 2.10 -2.03 0.19 116.57 120.70 1d3b h LYS 36 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1d3b h LYS 36 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1d3b h LYS 36 CO 0.56 0.03 -0.10 0.72 -2.00 0.00 0.00 179.45 178.66 1d3b n HIS 37 N -3.41 0.00 -0.93 0.07 8.25 -1.26 -4.91 115.22 113.03 1d3b n HIS 37 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1d3b n HIS 37 Cb 0.15 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1d3b n HIS 37 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1d3b n MET 38 N -0.77 0.00 -2.28 -0.41 2.81 0.06 -4.26 117.12 112.26 1d3b n MET 38 Ca 0.16 0.36 -0.41 0.00 -1.81 0.00 0.00 57.70 56.00 1d3b n MET 38 Cb 0.28 -3.52 -0.03 0.00 -0.71 0.00 0.00 33.22 29.24 1d3b n MET 38 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1d3b s ASN 39 N -2.72 6.98 0.20 7.83 0.01 -1.26 -3.41 114.94 122.57 1d3b s ASN 39 Ca 0.00 2.36 0.11 0.00 -0.71 0.00 0.00 52.86 54.62 1d3b s ASN 39 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1d3b s ASN 39 CO 0.00 -0.44 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.18 1d3b s LEU 40 N -0.46 2.48 -0.23 0.60 1.43 -0.20 -2.00 118.68 120.29 1d3b s LEU 40 Ca 0.53 -0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1d3b s LEU 40 Cb -0.35 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1d3b s LEU 40 CO 0.40 0.05 -0.06 -0.63 0.23 0.00 0.00 176.35 176.33 1d3b s ILE 41 N -2.02 3.06 -0.18 -0.59 -1.09 0.10 -0.29 121.20 120.18 1d3b s ILE 41 Ca 0.21 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 1d3b s ILE 41 Cb -0.06 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.37 1d3b s ILE 41 CO 0.10 0.31 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.17 1d3b s LEU 42 N 1.39 2.17 0.15 2.97 1.43 0.10 -1.05 118.68 125.85 1d3b s LEU 42 Ca 0.03 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1d3b s LEU 42 Cb -0.15 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.52 1d3b s LEU 42 CO -0.04 0.01 0.42 0.00 0.23 0.00 0.00 176.35 176.96 1d3b n ASP 44 N 0.23 -1.10 -4.81 0.00 8.00 -1.09 -1.28 116.55 116.51 1d3b n ASP 44 Ca -0.03 -0.98 -0.38 0.00 0.71 0.00 0.00 54.79 54.10 1d3b n ASP 44 Cb 0.52 -3.23 -0.06 0.00 -0.02 0.00 0.00 41.12 38.33 1d3b n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d3b s ASP 46 N -0.80 3.09 -0.10 0.00 1.01 0.00 -0.84 116.67 119.04 1d3b s ASP 46 Ca 0.27 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.90 1d3b s ASP 46 Cb -0.18 -0.25 -0.02 0.00 1.01 0.00 0.00 42.92 43.48 1d3b s ASP 46 CO 0.15 0.22 -0.10 -0.70 0.21 0.00 0.00 175.17 174.95 1d3b s GLU 47 N -1.49 3.07 -0.03 8.23 2.12 0.54 -0.28 118.70 130.85 1d3b s GLU 47 Ca 0.12 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.88 1d3b s GLU 47 Cb -0.10 -2.61 -0.01 0.00 0.26 0.00 0.00 34.13 31.67 1d3b s GLU 47 CO 0.03 0.43 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.91 1d3b s PHE 48 N -0.19 1.97 -0.05 5.30 0.40 0.77 -0.90 117.98 125.28 1d3b s PHE 48 Ca 0.01 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1d3b s PHE 48 Cb -0.13 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.11 1d3b s PHE 48 CO 0.03 -0.11 -0.14 1.03 0.70 0.00 0.00 175.22 176.73 1d3b s ARG 49 N -0.27 1.59 -0.25 0.44 0.52 -0.34 -0.38 118.95 120.25 1d3b s ARG 49 Ca 0.02 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 54.73 1d3b s ARG 49 Cb -0.10 -1.36 0.01 0.00 0.52 0.00 0.00 34.95 34.02 1d3b s ARG 49 CO 0.01 0.13 -0.03 0.15 0.02 0.00 0.00 175.30 175.59 1d3b s LYS 50 N 0.31 3.03 -0.17 3.54 1.02 -1.26 -0.54 119.74 125.66 1d3b s LYS 50 Ca -0.08 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.05 1d3b s LYS 50 Cb -0.13 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1d3b s LYS 50 CO 0.02 -0.36 -0.13 0.42 -0.92 0.00 0.00 175.35 174.39 1d3b s ILE 51 N 1.40 2.76 -0.49 2.17 1.01 0.68 -4.99 121.20 123.75 1d3b s ILE 51 Ca 0.02 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 1d3b s ILE 51 Cb -0.16 -2.19 0.07 0.00 0.01 0.00 0.00 42.46 40.19 1d3b s ILE 51 CO -0.03 0.50 0.48 -0.75 0.00 0.00 0.00 174.94 175.14 1d3b s LYS 52 N 1.04 3.03 0.10 2.79 2.20 -1.26 -0.86 119.74 126.77 1d3b s LYS 52 Ca -0.01 -1.21 -0.36 0.00 -0.36 0.00 0.00 55.97 54.03 1d3b s LYS 52 Cb -0.15 -4.13 -0.18 0.00 -1.51 0.00 0.00 37.83 31.87 1d3b s LYS 52 CO -0.03 -1.12 1.10 -2.30 -0.36 0.00 0.00 175.35 172.64 1d3b n PRO 53 N 5.56 0.63 -0.19 4.03 -0.02 -1.26 -4.75 135.00 138.99 1d3b n PRO 53 Ca -0.10 0.22 0.10 0.00 -2.02 0.00 0.00 63.50 61.70 1d3b n PRO 53 Cb 0.44 -1.70 0.20 0.00 -0.02 0.00 0.00 33.50 32.42 1d3b n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1d3b n LYS 54 N 1.76 -0.04 -3.66 -0.52 4.76 -1.26 -3.62 118.16 115.58 1d3b n LYS 54 Ca 0.18 0.82 -0.08 0.00 -2.87 0.00 0.00 58.31 56.35 1d3b n LYS 54 Cb 0.18 -1.33 -0.09 0.00 -1.84 0.00 0.00 35.03 31.94 1d3b n LYS 54 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1d3b s ASN 55 N -4.95 -0.30 -0.17 4.39 0.01 -1.26 -5.15 114.94 107.51 1d3b s ASN 55 Ca -0.07 1.00 -0.29 0.00 -0.71 0.00 0.00 52.86 52.79 1d3b s ASN 55 Cb 0.17 1.33 -0.07 0.00 0.41 0.00 0.00 41.25 43.09 1d3b s ASN 55 CO 0.43 -0.23 2.15 -1.54 -1.51 0.00 0.00 177.10 176.41 1d3b n SER 56 N 5.29 3.37 0.00 -1.22 3.41 -1.24 -4.64 113.62 118.59 1d3b n SER 56 Ca -0.10 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1d3b n SER 56 Cb 0.50 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1d3b n SER 56 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1d3b n LYS 57 N 8.34 0.00 -5.08 4.33 5.02 -1.26 -5.06 118.16 124.45 1d3b n LYS 57 Ca 0.28 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.28 1d3b n LYS 57 Cb 0.41 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.26 1d3b n LYS 57 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1d3b s GLN 58 N 0.00 2.42 0.54 1.97 -0.21 -1.26 -5.15 119.66 117.97 1d3b s GLN 58 Ca 0.00 -0.78 -0.08 0.00 0.02 0.00 0.00 55.36 54.52 1d3b s GLN 58 Cb 0.00 -1.98 0.12 0.00 1.00 0.00 0.00 33.01 32.16 1d3b s GLN 58 CO 0.00 0.26 0.74 0.00 -2.12 0.00 0.00 175.29 174.17 1d3b n ALA 59 N 3.24 -0.74 -0.71 6.09 0.00 -1.26 -4.71 120.51 122.41 1d3b n ALA 59 Ca -0.19 -1.02 -0.32 0.00 0.00 0.00 0.00 53.44 51.91 1d3b n ALA 59 Cb 0.52 -0.02 0.16 0.00 0.00 0.00 0.00 19.45 20.11 1d3b n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1d3b n GLU 60 N -2.55 -1.11 -4.82 0.00 2.13 -1.26 -4.64 120.64 108.39 1d3b n GLU 60 Ca 0.10 -0.29 -0.25 0.00 0.66 0.00 0.00 57.16 57.37 1d3b n GLU 60 Cb 0.33 -1.79 -0.15 0.00 0.27 0.00 0.00 31.44 30.10 1d3b n GLU 60 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1d3b s ARG 61 N -3.58 1.43 -0.16 5.31 3.52 -0.04 -4.99 118.95 120.44 1d3b s ARG 61 Ca 0.57 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 1d3b s ARG 61 Cb -0.16 -1.37 0.02 0.00 -1.56 0.00 0.00 34.95 31.89 1d3b s ARG 61 CO 0.67 0.36 -0.15 -2.00 -0.81 0.00 0.00 175.30 173.36 1d3b s GLU 62 N -0.37 2.46 -0.07 5.12 2.12 -1.26 -0.23 118.70 126.48 1d3b s GLU 62 Ca 0.06 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 1d3b s GLU 62 Cb -0.07 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 1d3b s GLU 62 CO -0.00 -0.25 0.02 -1.21 -0.54 0.00 0.00 175.26 173.28 1d3b s GLU 63 N 1.42 3.02 -0.05 4.30 2.02 0.29 -4.95 118.70 124.75 1d3b s GLU 63 Ca 0.04 -0.40 0.04 0.00 0.02 0.00 0.00 54.97 54.66 1d3b s GLU 63 Cb -0.13 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1d3b s GLU 63 CO -0.11 0.70 -0.15 0.21 0.02 0.00 0.00 175.26 175.93 1d3b s LYS 64 N -1.04 1.70 -0.02 1.61 2.20 -1.26 -1.20 119.74 121.73 1d3b s LYS 64 Ca 0.15 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 1d3b s LYS 64 Cb -0.11 -1.46 -0.01 0.00 -1.51 0.00 0.00 37.83 34.74 1d3b s LYS 64 CO 0.04 0.18 -0.13 1.03 -0.36 0.00 0.00 175.35 176.11 1d3b s ARG 65 N 0.21 1.09 -0.23 4.03 0.52 -0.08 -4.99 118.95 119.50 1d3b s ARG 65 Ca -0.07 -0.44 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 1d3b s ARG 65 Cb -0.12 -1.03 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 1d3b s ARG 65 CO 0.03 0.25 0.45 0.08 0.02 0.00 0.00 175.30 176.12 1d3b s VAL 66 N -0.19 5.14 -0.21 3.52 1.01 -1.26 -0.34 120.40 128.08 1d3b s VAL 66 Ca 0.03 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1d3b s VAL 66 Cb -0.06 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1d3b s VAL 66 CO -0.00 0.18 -0.29 0.18 0.00 0.00 0.00 175.10 175.17 1d3b n LEU 67 N 4.96 1.61 0.00 3.92 4.77 -0.02 -4.96 117.00 127.28 1d3b n LEU 67 Ca -0.07 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1d3b n LEU 67 Cb 0.51 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1d3b n LEU 67 CO 0.40 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1d3b n GLY 68 N 1.65 0.22 3.56 -0.72 0.00 -0.68 -4.92 105.19 104.29 1d3b n GLY 68 Ca -0.38 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 1d3b n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d3b s LEU 69 N 0.00 4.17 -0.06 0.99 2.96 -1.26 -0.12 118.68 125.35 1d3b s LEU 69 Ca 0.00 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1d3b s LEU 69 Cb 0.00 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1d3b s LEU 69 CO 0.00 -0.92 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.29 1d3b s VAL 70 N 3.37 3.17 -0.45 1.68 1.01 0.69 -4.97 120.40 124.90 1d3b s VAL 70 Ca 0.32 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1d3b s VAL 70 Cb -0.12 -2.26 0.09 0.00 0.00 0.00 0.00 36.38 34.09 1d3b s VAL 70 CO 0.23 0.58 0.31 -0.22 0.00 0.00 0.00 175.10 176.00 1d3b s LEU 71 N -0.61 5.41 -0.24 3.92 0.20 -1.26 0.03 118.68 126.13 1d3b s LEU 71 Ca 0.09 -1.58 -0.16 0.00 0.69 0.00 0.00 54.13 53.17 1d3b s LEU 71 Cb -0.11 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 1d3b s LEU 71 CO 0.01 -0.61 0.40 -0.22 -0.29 0.00 0.00 176.35 175.64 1d3b s LEU 72 N 1.46 4.09 0.14 -0.68 2.96 0.60 -4.93 118.68 122.32 1d3b s LEU 72 Ca 0.04 0.40 -0.31 0.00 -0.22 0.00 0.00 54.13 54.04 1d3b s LEU 72 Cb -0.24 -2.48 -0.09 0.00 0.50 0.00 0.00 46.19 43.88 1d3b s LEU 72 CO 0.02 -0.15 1.44 -0.13 -1.32 0.00 0.00 176.35 176.21 1d3b s ARG 73 N 1.78 4.29 0.40 1.98 1.81 -1.26 -1.03 118.95 126.91 1d3b s ARG 73 Ca 0.17 2.17 0.11 0.00 -1.72 0.00 0.00 55.73 56.46 1d3b s ARG 73 Cb -0.15 -3.21 0.82 0.00 -0.45 0.00 0.00 34.95 31.95 1d3b s ARG 73 CO 0.09 -0.48 1.91 0.78 -0.68 0.00 0.00 175.30 176.92 1d3b h GLY 74 N 6.64 0.13 2.00 -3.53 0.00 -1.75 -3.26 103.07 103.29 1d3b h GLY 74 Ca -0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1d3b h GLY 74 CO 0.87 0.08 -0.02 1.05 0.00 0.00 0.00 176.54 178.51 1d3b h GLU 75 N 0.11 0.00 -0.02 4.80 4.11 -1.87 -1.60 114.58 120.11 1d3b h GLU 75 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1d3b h GLU 75 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1d3b h GLU 75 CO 0.03 0.02 -0.25 0.09 0.07 0.00 0.00 179.01 178.97 1d3b n ASN 76 N -3.42 2.48 -4.66 3.06 3.02 -1.23 -4.93 115.26 109.57 1d3b n ASN 76 Ca -0.02 -1.74 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 1d3b n ASN 76 Cb 0.13 0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1d3b n ASN 76 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1d3b s LEU 77 N -2.24 4.15 -0.01 3.41 2.96 -0.60 -0.85 118.68 125.50 1d3b s LEU 77 Ca 0.23 1.53 0.05 0.00 -0.22 0.00 0.00 54.13 55.72 1d3b s LEU 77 Cb 0.19 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.26 1d3b s LEU 77 CO 0.44 -0.69 0.10 1.33 -1.32 0.00 0.00 176.35 176.21 1d3b n VAL 78 N 5.26 0.03 -3.74 1.68 0.24 -0.22 -4.90 118.33 116.69 1d3b n VAL 78 Ca 0.12 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1d3b n VAL 78 Cb 0.46 0.25 -0.08 0.00 -1.47 0.00 0.00 33.84 32.99 1d3b n VAL 78 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1d3b s SER 79 N -2.67 -0.21 -0.04 -1.34 0.15 -0.86 -4.78 113.70 103.95 1d3b s SER 79 Ca -0.02 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.73 1d3b s SER 79 Cb 0.03 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1d3b s SER 79 CO 0.20 -0.48 -0.02 -0.04 1.20 0.00 0.00 173.24 174.10 1d3b s MET 80 N -1.48 0.57 0.03 5.44 -1.94 -1.26 -0.40 119.30 120.26 1d3b s MET 80 Ca -0.12 -0.02 0.03 0.00 -1.71 0.00 0.00 55.69 53.87 1d3b s MET 80 Cb -0.04 -0.66 -0.02 0.00 2.01 0.00 0.00 34.83 36.11 1d3b s MET 80 CO 0.04 -0.11 -0.09 0.95 -0.01 0.00 0.00 175.02 175.80 1d3b s THR 81 N 0.97 0.70 0.04 2.05 -4.23 0.03 -4.74 115.64 110.46 1d3b s THR 81 Ca -0.10 -0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 59.26 1d3b s THR 81 Cb -0.14 -0.68 -0.07 0.00 1.34 0.00 0.00 72.50 72.95 1d3b s THR 81 CO -0.01 -0.13 1.44 -0.69 -0.54 0.00 0.00 174.62 174.70 1d3b s VAL 82 N -0.89 3.48 -0.14 2.29 1.01 -1.26 -0.06 120.40 124.83 1d3b s VAL 82 Ca -0.03 0.95 0.18 0.00 0.00 0.00 0.00 61.98 63.07 1d3b s VAL 82 Cb -0.07 -3.61 -0.25 0.00 0.00 0.00 0.00 36.38 32.45 1d3b s VAL 82 CO 0.01 0.02 0.30 1.21 0.00 0.00 0.00 175.10 176.63 1d3b n GLU 83 N 5.02 0.67 -3.62 2.72 4.07 0.94 -4.83 120.64 125.62 1d3b n GLU 83 Ca 0.13 0.02 -0.04 0.00 -0.06 0.00 0.00 57.16 57.22 1d3b n GLU 83 Cb 0.43 -1.59 -0.03 0.00 -0.06 0.00 0.00 31.44 30.19 1d3b n GLU 83 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1d3b s GLY 84 N -5.20 -0.20 0.99 8.31 0.00 -0.75 -4.97 107.32 105.50 1d3b s GLY 84 Ca -0.08 1.93 -0.12 0.00 0.00 0.00 0.00 44.72 46.45 1d3b s GLY 84 CO 0.84 0.69 1.09 2.56 0.00 0.00 0.00 173.10 178.28 1d3b s PRO 85 N -2.00 0.47 -0.01 2.90 0.04 -1.26 -0.54 135.00 134.59 1d3b s PRO 85 Ca 0.09 0.64 -0.34 0.00 0.04 0.00 0.00 61.00 61.44 1d3b s PRO 85 Cb -0.01 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 1d3b s PRO 85 CO -0.04 -2.74 1.79 -2.30 0.04 0.00 0.00 177.00 173.75 1d3b n PRO 86 N -4.20 2.18 0.00 0.56 -0.02 -1.26 -4.09 135.00 128.18 1d3b n PRO 86 Ca 0.05 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1d3b n PRO 86 Cb 0.56 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1d3b n PRO 86 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18