#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 1.06 -0.30 12.58 0.31 -1.26 -0.64 118.33 130.08 1d3b n VAL 3 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1d3b n VAL 3 Cb 0.00 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 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 2.08 0.68 2.67 2.92 0.00 -1.26 -5.01 105.19 107.28 1d3b n GLY 4 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.70 0.97 0.36 1.61 -0.14 0.19 -5.02 119.74 117.01 1d3b s LYS 5 Ca 0.00 -1.59 0.11 0.00 -1.36 0.00 0.00 55.97 53.13 1d3b s LYS 5 Cb 0.00 -2.04 0.88 0.00 -1.68 0.00 0.00 37.83 34.98 1d3b s LYS 5 CO 0.00 -1.11 1.83 0.77 -0.76 0.00 0.00 175.35 176.08 1d3b h SER 6 N 7.21 0.62 -0.35 2.83 0.02 -1.95 0.40 113.55 122.33 1d3b h SER 6 Ca -0.04 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1d3b h SER 6 Cb 0.96 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1d3b h SER 6 CO 0.44 0.26 -0.10 0.77 -1.14 0.00 0.00 176.83 177.07 1d3b h SER 7 N 0.63 0.69 -0.51 3.07 4.64 -1.95 -1.57 113.55 118.55 1d3b h SER 7 Ca 0.50 -0.37 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1d3b h SER 7 Cb 0.93 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1d3b h SER 7 CO -0.25 0.90 0.18 0.11 -0.87 0.00 0.00 176.83 176.89 1d3b h LYS 8 N 0.47 0.77 0.00 4.77 1.57 -1.58 -3.00 116.57 119.57 1d3b h LYS 8 Ca 0.09 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1d3b h LYS 8 Cb 0.60 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1d3b h LYS 8 CO 0.04 0.71 -0.16 0.52 -0.57 0.00 0.00 179.45 179.98 1d3b h MET 9 N 0.68 0.00 -0.86 3.15 2.86 -0.61 -3.15 114.93 117.01 1d3b h MET 9 Ca 0.17 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.90 1d3b h MET 9 Cb 0.24 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 1d3b h MET 9 CO -0.01 0.16 0.56 1.25 1.06 0.00 0.00 176.91 179.93 1d3b h LEU 10 N 0.00 0.77 -0.20 1.22 5.85 -1.14 -2.21 115.31 119.60 1d3b h LEU 10 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1d3b h LEU 10 Cb 0.48 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1d3b h LEU 10 CO 0.02 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.58 1d3b n GLN 11 N -4.52 0.04 0.00 1.25 10.64 -1.19 -2.20 117.38 121.41 1d3b n GLN 11 Ca 0.14 0.36 0.11 0.00 -1.83 0.00 0.00 57.00 55.78 1d3b n GLN 11 Cb 0.30 -1.59 0.03 0.00 -0.86 0.00 0.00 30.24 28.12 1d3b n GLN 11 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1d3b n HIS 12 N -1.66 0.00 -1.62 2.61 8.25 -0.83 -4.96 115.22 117.01 1d3b n HIS 12 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1d3b n HIS 12 Cb 0.13 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.39 2.24 0.00 1.59 2.08 -0.93 -1.47 119.36 123.25 1d3b n ILE 13 Ca 0.11 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.92 1d3b n ILE 13 Cb 0.51 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.23 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 0.76 0.00 -4.86 4.38 8.00 0.72 -4.99 116.55 120.56 1d3b n ASP 14 Ca 0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.27 1d3b n ASP 14 Cb 0.37 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.23 3.54 -0.30 1.24 1.51 -0.54 -3.79 117.35 116.77 1d3b s TYR 15 Ca 0.00 1.37 -0.25 0.00 -1.01 0.00 0.00 57.07 57.18 1d3b s TYR 15 Cb 0.00 -2.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 1d3b s TYR 15 CO 0.00 -0.56 0.87 1.03 -1.11 0.00 0.00 175.55 175.78 1d3b s ARG 16 N -4.69 4.03 0.13 -0.62 0.52 0.18 -1.14 118.95 117.36 1d3b s ARG 16 Ca 0.57 0.78 0.10 0.00 -0.52 0.00 0.00 55.73 56.65 1d3b s ARG 16 Cb -0.11 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 1d3b s ARG 16 CO 0.44 -0.71 -0.22 -1.64 0.02 0.00 0.00 175.30 173.19 1d3b s MET 17 N 3.12 1.62 -0.37 3.54 -1.94 0.06 0.86 119.30 126.18 1d3b s MET 17 Ca 0.36 -1.29 -0.14 0.00 -1.71 0.00 0.00 55.69 52.92 1d3b s MET 17 Cb -0.14 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.70 1d3b s MET 17 CO 0.12 0.46 0.26 0.50 -0.01 0.00 0.00 175.02 176.35 1d3b s ARG 18 N -2.21 3.21 -0.30 2.03 3.52 0.86 -2.51 118.95 123.56 1d3b s ARG 18 Ca 0.17 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 54.86 1d3b s ARG 18 Cb -0.10 -3.87 0.01 0.00 -1.56 0.00 0.00 34.95 29.43 1d3b s ARG 18 CO 0.09 -0.59 0.08 0.00 -0.81 0.00 0.00 175.30 174.07 1d3b s ILE 20 N 1.50 3.99 0.79 0.00 1.01 0.14 -1.51 121.20 127.12 1d3b s ILE 20 Ca 0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1d3b s ILE 20 Cb -0.17 -2.79 0.06 0.00 0.01 0.00 0.00 42.46 39.57 1d3b s ILE 20 CO 0.03 0.44 1.15 -0.76 0.00 0.00 0.00 174.94 175.80 1d3b s LEU 21 N 0.87 2.59 0.45 2.97 1.43 0.10 -1.35 118.68 125.73 1d3b s LEU 21 Ca 0.01 0.90 0.18 0.00 -1.03 0.00 0.00 54.13 54.18 1d3b s LEU 21 Cb -0.14 -3.46 1.13 0.00 0.03 0.00 0.00 46.19 43.75 1d3b s LEU 21 CO 0.02 -1.79 1.94 -0.61 0.23 0.00 0.00 176.35 176.14 1d3b h GLN 22 N -0.97 0.31 -0.13 1.70 4.15 -1.24 0.57 115.11 119.49 1d3b h GLN 22 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1d3b h GLN 22 Cb 1.31 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1d3b h GLN 22 CO 0.65 0.20 0.00 -0.40 -1.93 0.00 0.00 178.83 177.35 1d3b n ASP 23 N -4.45 1.50 0.00 -0.69 5.68 -1.26 -4.92 116.55 112.40 1d3b n ASP 23 Ca 0.13 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 1d3b n ASP 23 Cb 0.54 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 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 1.11 0.74 3.77 6.12 0.00 0.19 -5.04 105.19 112.08 1d3b n GLY 24 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1d3b n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d3b s ARG 25 N -0.52 4.28 -0.10 1.61 0.52 -1.26 -4.71 118.95 118.77 1d3b s ARG 25 Ca 0.00 2.32 0.01 0.00 -0.52 0.00 0.00 55.73 57.54 1d3b s ARG 25 Cb 0.00 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 1d3b s ARG 25 CO 0.00 -0.30 -0.14 0.42 0.02 0.00 0.00 175.30 175.30 1d3b s ILE 26 N -1.05 2.97 -0.21 1.52 1.01 0.03 -0.72 121.20 124.74 1d3b s ILE 26 Ca 0.51 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 1d3b s ILE 26 Cb -0.42 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1d3b s ILE 26 CO 0.55 0.55 -0.13 -0.36 0.00 0.00 0.00 174.94 175.54 1d3b s PHE 27 N 0.03 2.92 -0.21 3.97 0.40 -0.57 0.38 117.98 124.90 1d3b s PHE 27 Ca -0.05 -1.58 -0.00 0.00 -0.60 0.00 0.00 56.93 54.70 1d3b s PHE 27 Cb -0.14 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.42 1d3b s PHE 27 CO 0.04 -0.76 -0.14 0.42 0.70 0.00 0.00 175.22 175.49 1d3b s ILE 28 N 1.31 2.44 0.36 0.64 1.01 0.43 -0.82 121.20 126.56 1d3b s ILE 28 Ca 0.03 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 1d3b s ILE 28 Cb -0.15 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.26 1d3b s ILE 28 CO -0.09 0.41 0.82 -0.83 0.00 0.00 0.00 174.94 175.25 1d3b s GLY 29 N 1.31 0.31 -0.32 6.18 0.00 -1.04 -0.73 107.32 113.03 1d3b s GLY 29 Ca 0.03 -0.67 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 1d3b s GLY 29 CO -0.09 0.01 0.91 -1.59 0.00 0.00 0.00 173.10 172.35 1d3b s THR 30 N -2.38 4.66 -0.53 0.90 2.01 0.72 -0.76 115.64 120.26 1d3b s THR 30 Ca 0.16 1.40 -0.28 0.00 0.31 0.00 0.00 61.69 63.28 1d3b s THR 30 Cb -0.05 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1d3b s THR 30 CO 0.10 -0.37 1.52 0.12 -0.69 0.00 0.00 174.62 175.30 1d3b s PHE 31 N 3.27 2.16 -0.03 4.92 5.36 -0.29 0.11 117.98 133.47 1d3b s PHE 31 Ca 0.38 0.54 0.17 0.00 -0.96 0.00 0.00 56.93 57.06 1d3b s PHE 31 Cb -0.13 -4.32 -0.26 0.00 -0.34 0.00 0.00 43.02 37.97 1d3b s PHE 31 CO 0.14 -2.13 0.36 1.63 -1.46 0.00 0.00 175.22 173.76 1d3b n LYS 32 N 8.66 0.58 -3.53 10.12 4.76 -0.44 -0.20 118.16 138.11 1d3b n LYS 32 Ca 0.15 -0.15 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1d3b n LYS 32 Cb 0.49 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 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 -3.14 -1.87 0.18 7.82 0.00 -1.21 -4.88 121.76 118.66 1d3b s ALA 33 Ca -0.06 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 1d3b s ALA 33 Cb 0.11 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1d3b s ALA 33 CO 0.71 -0.61 0.43 -0.59 0.00 0.00 0.00 175.76 175.70 1d3b s PHE 34 N -2.69 0.04 0.40 0.00 -0.12 -1.26 -0.11 117.98 114.24 1d3b s PHE 34 Ca 0.04 -0.39 0.05 0.00 -0.05 0.00 0.00 56.93 56.58 1d3b s PHE 34 Cb -0.01 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 1d3b s PHE 34 CO -0.07 -0.83 0.17 -0.40 -0.05 0.00 0.00 175.22 174.04 1d3b n ASP 35 N -0.29 0.92 0.19 1.98 5.68 -0.99 -4.97 116.55 119.08 1d3b n ASP 35 Ca -0.10 -3.20 0.14 0.00 -0.50 0.00 0.00 54.79 51.13 1d3b n ASP 35 Cb 0.63 1.15 0.65 0.00 -1.14 0.00 0.00 41.12 42.40 1d3b n ASP 35 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1d3b h LYS 36 N 0.00 0.00 -0.01 0.11 2.10 -2.03 -1.62 116.57 115.13 1d3b h LYS 36 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1d3b h LYS 36 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1d3b h LYS 36 CO 0.48 0.00 -0.15 0.72 -2.00 0.00 0.00 179.45 178.51 1d3b n HIS 37 N -2.48 0.00 -1.04 0.07 8.25 -1.26 -4.92 115.22 113.84 1d3b n HIS 37 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1d3b n HIS 37 Cb 0.16 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.83 -0.11 -2.27 -0.41 2.81 -0.61 -4.09 117.12 111.62 1d3b n MET 38 Ca 0.14 0.48 -0.40 0.00 -1.81 0.00 0.00 57.70 56.11 1d3b n MET 38 Cb 0.30 -3.98 -0.03 0.00 -0.71 0.00 0.00 33.22 28.80 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 -2.85 6.85 0.17 7.83 0.01 -1.26 -3.21 114.94 122.48 1d3b s ASN 39 Ca 0.00 2.47 0.08 0.00 -0.71 0.00 0.00 52.86 54.70 1d3b s ASN 39 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1d3b s ASN 39 CO 0.00 -0.46 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.20 1d3b s LEU 40 N -1.89 2.46 -0.22 0.60 1.43 0.00 -2.34 118.68 118.73 1d3b s LEU 40 Ca 0.50 -0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1d3b s LEU 40 Cb -0.35 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1d3b s LEU 40 CO 0.45 -0.07 -0.01 -0.63 0.23 0.00 0.00 176.35 176.32 1d3b s ILE 41 N -2.24 3.67 -0.19 -0.59 -1.09 0.84 -0.77 121.20 120.83 1d3b s ILE 41 Ca 0.17 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 1d3b s ILE 41 Cb -0.05 -2.68 0.04 0.00 -1.58 0.00 0.00 42.46 38.19 1d3b s ILE 41 CO 0.07 0.41 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.30 1d3b s LEU 42 N 1.38 2.19 0.21 2.97 1.43 0.34 -1.33 118.68 125.88 1d3b s LEU 42 Ca 0.05 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1d3b s LEU 42 Cb -0.14 -1.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.73 1d3b s LEU 42 CO -0.01 -0.11 0.65 0.00 0.23 0.00 0.00 176.35 177.11 1d3b n ASP 44 N 0.46 -3.17 -4.81 0.00 8.00 -1.06 -0.20 116.55 115.77 1d3b n ASP 44 Ca -0.02 -1.05 -0.38 0.00 0.71 0.00 0.00 54.79 54.05 1d3b n ASP 44 Cb 0.52 -3.06 -0.06 0.00 -0.02 0.00 0.00 41.12 38.50 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 -0.83 4.08 -0.10 0.00 1.01 0.09 0.31 116.67 121.24 1d3b s ASP 46 Ca 0.26 -0.50 0.02 0.00 0.71 0.00 0.00 52.55 53.04 1d3b s ASP 46 Cb -0.17 -0.65 -0.02 0.00 1.01 0.00 0.00 42.92 43.09 1d3b s ASP 46 CO 0.15 0.17 -0.16 -0.70 0.21 0.00 0.00 175.17 174.84 1d3b s GLU 47 N -2.20 3.00 -0.09 8.23 2.12 0.66 -0.43 118.70 130.00 1d3b s GLU 47 Ca 0.19 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.82 1d3b s GLU 47 Cb -0.11 -2.46 0.00 0.00 0.26 0.00 0.00 34.13 31.82 1d3b s GLU 47 CO 0.12 0.34 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.89 1d3b s PHE 48 N 0.00 2.36 -0.08 5.30 0.40 0.16 -1.28 117.98 124.84 1d3b s PHE 48 Ca -0.05 -0.92 0.05 0.00 -0.60 0.00 0.00 56.93 55.40 1d3b s PHE 48 Cb -0.15 -1.59 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 1d3b s PHE 48 CO 0.05 -0.37 -0.23 1.03 0.70 0.00 0.00 175.22 176.40 1d3b s ARG 49 N 0.32 2.67 -0.23 0.44 0.52 0.15 -0.79 118.95 122.03 1d3b s ARG 49 Ca -0.16 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.16 1d3b s ARG 49 Cb -0.17 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1d3b s ARG 49 CO 0.07 0.23 0.03 0.15 0.02 0.00 0.00 175.30 175.81 1d3b s LYS 50 N 0.19 3.62 -0.13 3.54 1.02 -1.26 -0.33 119.74 126.39 1d3b s LYS 50 Ca -0.13 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.38 1d3b s LYS 50 Cb -0.16 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1d3b s LYS 50 CO 0.06 -0.11 -0.21 0.42 -0.92 0.00 0.00 175.35 174.60 1d3b s ILE 51 N 1.35 2.28 -0.45 2.17 1.01 0.90 -5.00 121.20 123.45 1d3b s ILE 51 Ca 0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1d3b s ILE 51 Cb -0.15 -1.91 0.11 0.00 0.01 0.00 0.00 42.46 40.52 1d3b s ILE 51 CO 0.02 0.54 0.30 -0.75 0.00 0.00 0.00 174.94 175.06 1d3b s LYS 52 N 0.57 2.46 0.42 2.79 2.20 -1.26 -1.49 119.74 125.43 1d3b s LYS 52 Ca -0.12 -1.68 -0.25 0.00 -0.36 0.00 0.00 55.97 53.56 1d3b s LYS 52 Cb -0.17 -3.84 -0.10 0.00 -1.51 0.00 0.00 37.83 32.22 1d3b s LYS 52 CO 0.04 -1.11 1.21 -2.30 -0.36 0.00 0.00 175.35 172.82 1d3b n PRO 53 N 4.87 1.78 -0.17 4.03 -0.02 -1.26 -4.91 135.00 139.31 1d3b n PRO 53 Ca -0.08 0.63 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 1d3b n PRO 53 Cb 0.41 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1d3b n PRO 53 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1d3b h LYS 54 N 1.95 -0.19 -6.11 -0.52 1.57 -1.97 -3.36 116.57 107.93 1d3b h LYS 54 Ca -0.47 0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 57.80 1d3b h LYS 54 Cb 1.31 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.62 1d3b h LYS 54 CO 0.59 -0.13 1.28 1.21 -0.57 0.00 0.00 179.45 181.84 1d3b s ASN 55 N -5.13 5.56 0.62 0.86 3.04 -1.26 -4.99 114.94 113.64 1d3b s ASN 55 Ca -0.14 0.41 -0.18 0.00 0.04 0.00 0.00 52.86 52.98 1d3b s ASN 55 Cb 0.15 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 37.30 1d3b s ASN 55 CO 0.69 -2.14 1.23 -0.55 -3.04 0.00 0.00 177.10 173.29 1d3b s SER 56 N 6.93 4.92 0.00 -4.21 0.15 -1.26 -1.70 113.70 118.53 1d3b s SER 56 Ca 0.64 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.75 1d3b s SER 56 Cb -0.13 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1d3b s SER 56 CO 0.23 -1.78 0.00 0.29 1.20 0.00 0.00 173.24 173.18 1d3b n LYS 57 N -1.80 0.00 -3.08 5.44 5.02 -1.26 -5.03 118.16 117.46 1d3b n LYS 57 Ca 0.14 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 1d3b n LYS 57 Cb 0.49 -0.18 -0.05 0.00 -0.02 0.00 0.00 35.03 35.26 1d3b n LYS 57 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1d3b s GLN 58 N -0.81 4.42 0.36 1.97 0.74 -0.69 -5.03 119.66 120.62 1d3b s GLN 58 Ca 0.00 0.93 -0.28 0.00 0.05 0.00 0.00 55.36 56.06 1d3b s GLN 58 Cb 0.00 -3.34 -0.11 0.00 1.10 0.00 0.00 33.01 30.66 1d3b s GLN 58 CO 0.00 0.35 1.47 0.00 -0.55 0.00 0.00 175.29 176.55 1d3b s ALA 59 N -0.21 3.58 0.38 1.58 0.00 -1.26 -4.76 121.76 121.06 1d3b s ALA 59 Ca 0.35 1.52 -0.27 0.00 0.00 0.00 0.00 51.96 53.57 1d3b s ALA 59 Cb -0.20 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1d3b s ALA 59 CO 0.21 -0.98 1.24 -2.00 0.00 0.00 0.00 175.76 174.22 1d3b s GLU 60 N -1.91 4.13 0.02 0.00 2.12 -1.26 -4.58 118.70 117.22 1d3b s GLU 60 Ca 0.53 2.03 0.04 0.00 0.36 0.00 0.00 54.97 57.93 1d3b s GLU 60 Cb -0.45 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1d3b s GLU 60 CO 0.60 -0.31 -0.12 0.50 -0.54 0.00 0.00 175.26 175.39 1d3b s ARG 61 N -2.10 0.84 -0.15 4.30 3.52 -0.56 -5.00 118.95 119.81 1d3b s ARG 61 Ca 0.54 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 1d3b s ARG 61 Cb -0.35 -0.80 0.00 0.00 -1.56 0.00 0.00 34.95 32.23 1d3b s ARG 61 CO 0.45 0.20 -0.18 -2.00 -0.81 0.00 0.00 175.30 172.97 1d3b s GLU 62 N -0.85 3.16 -0.08 5.12 2.12 -1.26 -0.07 118.70 126.85 1d3b s GLU 62 Ca 0.01 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.58 1d3b s GLU 62 Cb -0.07 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1d3b s GLU 62 CO 0.01 0.03 -0.15 -1.21 -0.54 0.00 0.00 175.26 173.39 1d3b s GLU 63 N 0.75 2.79 -0.07 4.30 2.02 0.55 -4.94 118.70 124.11 1d3b s GLU 63 Ca -0.07 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.25 1d3b s GLU 63 Cb -0.16 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 1d3b s GLU 63 CO 0.00 0.46 -0.22 0.21 0.02 0.00 0.00 175.26 175.74 1d3b s LYS 64 N -0.31 2.65 -0.04 1.61 2.20 -1.26 -0.67 119.74 123.91 1d3b s LYS 64 Ca 0.02 -0.84 0.04 0.00 -0.36 0.00 0.00 55.97 54.83 1d3b s LYS 64 Cb -0.13 -2.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1d3b s LYS 64 CO 0.03 0.40 -0.15 0.50 -0.36 0.00 0.00 175.35 175.77 1d3b s ARG 65 N -0.19 1.56 -0.18 4.03 3.52 -0.41 -4.99 118.95 122.29 1d3b s ARG 65 Ca -0.02 -0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 54.86 1d3b s ARG 65 Cb -0.13 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.86 1d3b s ARG 65 CO 0.03 0.20 0.63 0.08 -0.81 0.00 0.00 175.30 175.43 1d3b s VAL 66 N 0.12 5.03 -0.20 7.11 1.01 -1.26 -0.24 120.40 131.96 1d3b s VAL 66 Ca -0.04 1.21 -0.06 0.00 0.00 0.00 0.00 61.98 63.08 1d3b s VAL 66 Cb -0.11 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1d3b s VAL 66 CO 0.02 0.13 -0.23 0.18 0.00 0.00 0.00 175.10 175.20 1d3b n LEU 67 N 4.87 1.99 0.00 3.92 4.77 0.15 -4.94 117.00 127.76 1d3b n LEU 67 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1d3b n LEU 67 Cb 0.50 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1d3b n LEU 67 CO 0.44 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1d3b n GLY 68 N 2.00 0.27 3.57 -0.72 0.00 -0.39 -4.90 105.19 105.02 1d3b n GLY 68 Ca -0.39 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 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 4.00 -0.07 0.99 2.96 -1.26 0.40 118.68 125.70 1d3b s LEU 69 Ca 0.00 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1d3b s LEU 69 Cb 0.00 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 1d3b s LEU 69 CO 0.00 -1.01 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.24 1d3b s VAL 70 N 3.70 3.53 -0.42 1.68 1.01 0.68 -4.97 120.40 125.61 1d3b s VAL 70 Ca 0.37 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1d3b s VAL 70 Cb -0.10 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1d3b s VAL 70 CO 0.25 0.58 0.28 -0.22 0.00 0.00 0.00 175.10 176.00 1d3b s LEU 71 N -0.62 5.17 -0.25 3.92 0.20 -1.26 -0.51 118.68 125.33 1d3b s LEU 71 Ca 0.09 -1.32 -0.14 0.00 0.69 0.00 0.00 54.13 53.45 1d3b s LEU 71 Cb -0.11 -2.05 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 1d3b s LEU 71 CO 0.02 -0.53 0.34 -0.22 -0.29 0.00 0.00 176.35 175.67 1d3b s LEU 72 N 1.52 4.08 0.20 -0.68 2.96 0.05 -4.91 118.68 121.89 1d3b s LEU 72 Ca 0.03 0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.96 1d3b s LEU 72 Cb -0.22 -2.40 -0.09 0.00 0.50 0.00 0.00 46.19 43.98 1d3b s LEU 72 CO 0.05 -0.11 1.38 -0.13 -1.32 0.00 0.00 176.35 176.21 1d3b s ARG 73 N 1.69 4.33 0.46 1.98 0.52 -1.26 -0.82 118.95 125.86 1d3b s ARG 73 Ca 0.15 2.15 0.26 0.00 -0.52 0.00 0.00 55.73 57.77 1d3b s ARG 73 Cb -0.15 -3.17 0.88 0.00 0.52 0.00 0.00 34.95 33.02 1d3b s ARG 73 CO 0.09 -0.36 1.80 0.78 0.02 0.00 0.00 175.30 177.63 1d3b h GLY 74 N 5.58 0.00 2.00 -3.53 0.00 -1.71 -3.29 103.07 102.13 1d3b h GLY 74 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1d3b h GLY 74 CO 0.80 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.39 1d3b h GLU 75 N 0.00 0.00 -0.01 4.80 4.11 -1.87 -0.54 114.58 121.07 1d3b h GLU 75 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1d3b h GLU 75 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1d3b h GLU 75 CO 0.02 0.00 -0.70 0.09 0.07 0.00 0.00 179.01 178.49 1d3b n ASN 76 N -2.92 1.24 -4.65 3.06 3.02 -1.24 -4.93 115.26 108.85 1d3b n ASN 76 Ca -0.02 -1.04 -0.43 0.00 -0.03 0.00 0.00 54.58 53.07 1d3b n ASN 76 Cb 0.14 0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.94 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 -2.80 4.04 -0.01 3.41 2.96 -0.21 -0.69 118.68 125.38 1d3b s LEU 77 Ca 0.13 1.47 0.12 0.00 -0.22 0.00 0.00 54.13 55.63 1d3b s LEU 77 Cb 0.17 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.17 1d3b s LEU 77 CO 0.72 -0.91 0.41 1.33 -1.32 0.00 0.00 176.35 176.58 1d3b n VAL 78 N 5.76 0.00 -3.57 1.68 0.24 -0.46 -4.89 118.33 117.09 1d3b n VAL 78 Ca 0.14 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 1d3b n VAL 78 Cb 0.46 0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 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 -2.59 -0.33 -0.05 -1.34 0.15 -1.08 -4.86 113.70 103.60 1d3b s SER 79 Ca 0.01 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 1d3b s SER 79 Cb 0.08 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1d3b s SER 79 CO 0.49 -0.35 0.13 -0.04 1.20 0.00 0.00 173.24 174.66 1d3b s MET 80 N -1.50 0.13 0.06 5.44 -1.94 -1.26 0.27 119.30 120.50 1d3b s MET 80 Ca 0.01 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 1d3b s MET 80 Cb -0.01 0.01 -0.03 0.00 2.01 0.00 0.00 34.83 36.81 1d3b s MET 80 CO -0.01 -0.05 -0.05 0.95 -0.01 0.00 0.00 175.02 175.85 1d3b s THR 81 N 0.31 0.37 -0.04 2.05 -4.23 -0.13 -4.87 115.64 109.09 1d3b s THR 81 Ca -0.02 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.60 1d3b s THR 81 Cb -0.03 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.55 1d3b s THR 81 CO -0.01 -0.80 1.15 -0.69 -0.54 0.00 0.00 174.62 173.73 1d3b s VAL 82 N -3.08 4.37 -0.22 2.29 1.01 -1.26 -0.09 120.40 123.42 1d3b s VAL 82 Ca 0.02 1.69 0.05 0.00 0.00 0.00 0.00 61.98 63.74 1d3b s VAL 82 Cb 0.02 -4.09 -0.20 0.00 0.00 0.00 0.00 36.38 32.11 1d3b s VAL 82 CO -0.06 0.03 -0.05 1.21 0.00 0.00 0.00 175.10 176.23 1d3b n GLU 83 N 4.87 0.67 -3.69 2.72 4.07 0.25 -4.80 120.64 124.72 1d3b n GLU 83 Ca 0.10 0.13 -0.03 0.00 -0.06 0.00 0.00 57.16 57.30 1d3b n GLU 83 Cb 0.47 -1.55 -0.01 0.00 -0.06 0.00 0.00 31.44 30.28 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 -6.11 -0.30 0.86 8.31 0.00 -0.26 -4.98 107.32 104.84 1d3b s GLY 84 Ca -0.26 0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 1d3b s GLY 84 CO 0.68 0.08 1.10 2.56 0.00 0.00 0.00 173.10 177.52 1d3b s PRO 85 N -3.06 1.59 0.09 2.90 0.04 -1.26 -0.65 135.00 134.66 1d3b s PRO 85 Ca 0.12 0.70 -0.33 0.00 0.04 0.00 0.00 61.00 61.52 1d3b s PRO 85 Cb 0.00 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 1d3b s PRO 85 CO -0.01 -1.98 1.71 -2.30 0.04 0.00 0.00 177.00 174.46 1d3b n PRO 86 N -3.69 2.29 -2.01 0.56 -0.02 -1.25 -4.17 135.00 126.71 1d3b n PRO 86 Ca 0.07 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.98 1d3b n PRO 86 Cb 0.56 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 1d3b n PRO 86 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1d3b s PRO 87 N 2.08 4.10 0.17 0.52 0.02 -1.26 -5.02 135.00 135.60 1d3b s PRO 87 Ca 0.83 2.26 -0.11 0.00 0.02 0.00 0.00 61.00 64.00 1d3b s PRO 87 Cb -0.64 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1d3b s PRO 87 CO 0.41 -0.42 0.35 -1.59 -0.33 0.00 0.00 177.00 175.42 1d3b s LYS 88 N -2.09 1.20 0.19 5.54 -2.85 -1.26 -5.13 119.74 115.34 1d3b s LYS 88 Ca 0.54 -1.07 -0.32 0.00 -1.00 0.00 0.00 55.97 54.12 1d3b s LYS 88 Cb -0.40 0.42 -0.11 0.00 -2.06 0.00 0.00 37.83 35.67 1d3b s LYS 88 CO 0.53 -0.46 1.68 0.34 0.10 0.00 0.00 175.35 177.54 1d3b s ASP 89 N -2.93 6.46 0.00 0.03 -1.08 -1.26 -4.87 116.67 113.01 1d3b s ASP 89 Ca 0.14 2.77 0.10 0.00 -0.52 0.00 0.00 52.55 55.04 1d3b s ASP 89 Cb 0.02 -2.59 0.20 0.00 -1.46 0.00 0.00 42.92 39.08 1d3b s ASP 89 CO -0.01 -0.92 1.07 1.07 0.52 0.00 0.00 175.17 176.89 1d3b n THR 90 N 4.05 0.62 0.77 1.71 5.66 -1.26 -5.31 114.28 120.51 1d3b n THR 90 Ca 0.15 -0.81 0.09 0.00 -3.05 0.00 0.00 64.05 60.44 1d3b n THR 90 Cb 0.37 0.77 0.08 0.00 -1.55 0.00 0.00 70.33 69.99 1d3b n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63