#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3c h PRO -3 N 0.00 0.71 -0.99 1.61 0.13 -2.03 -2.59 132.00 128.85 3d3c h PRO -3 Ca 0.00 -0.04 0.16 0.00 -0.87 0.00 0.00 66.00 65.24 3d3c h PRO -3 Cb 0.00 -0.16 -0.09 0.00 0.13 0.00 0.00 31.00 30.88 3d3c h PRO -3 CO 0.00 0.47 0.62 -0.07 -0.23 0.00 0.00 178.00 178.79 3d3c h LEU -2 N 0.73 0.81 0.00 1.56 3.38 -1.99 0.17 115.31 119.98 3d3c h LEU -2 Ca 0.41 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3d3c h LEU -2 Cb 0.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3d3c h LEU -2 CO -0.27 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3d3c n GLY -1 N -1.36 -0.77 0.00 0.83 0.00 -0.97 -2.68 105.19 100.24 3d3c n GLY -1 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3d3c n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d3c n SER 0 N -1.46 1.28 -4.54 1.61 7.64 0.01 -4.98 113.62 113.18 3d3c n SER 0 Ca 0.03 -1.58 -0.42 0.00 1.01 0.00 0.00 58.87 57.91 3d3c n SER 0 Cb 0.10 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 3d3c n SER 0 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3d3c s MET 1 N -0.58 3.48 0.27 1.43 1.00 -0.96 -4.93 119.30 119.01 3d3c s MET 1 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 55.69 55.32 3d3c s MET 1 Cb 0.00 -3.85 0.36 0.00 0.00 0.00 0.00 34.83 31.33 3d3c s MET 1 CO 0.00 -0.70 1.88 0.37 0.00 0.00 0.00 175.02 176.57 3d3c h GLN 2 N 8.56 1.05 -4.44 2.03 5.75 -1.93 -3.36 115.11 122.76 3d3c h GLN 2 Ca -0.28 -0.13 -0.72 0.00 -0.15 0.00 0.00 58.65 57.37 3d3c h GLN 2 Cb 1.12 -0.20 -0.25 0.00 1.07 0.00 0.00 27.48 29.22 3d3c h GLN 2 CO 0.78 0.79 -0.44 1.21 -2.65 0.00 0.00 178.83 178.52 3d3c s ASN 3 N -6.38 5.82 -1.25 -0.69 2.47 -1.26 -5.01 114.94 108.64 3d3c s ASN 3 Ca -0.11 -1.31 -0.19 0.00 0.42 0.00 0.00 52.86 51.67 3d3c s ASN 3 Cb 0.17 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 3d3c s ASN 3 CO 0.81 -0.53 1.90 0.00 -3.72 0.00 0.00 177.10 175.56 3d3c n GLN 4 N 5.03 2.56 -3.72 0.43 1.13 -1.26 -3.96 117.38 117.59 3d3c n GLN 4 Ca -0.11 -2.79 -0.12 0.00 -1.94 0.00 0.00 57.00 52.04 3d3c n GLN 4 Cb 0.44 -3.45 -0.11 0.00 0.11 0.00 0.00 30.24 27.23 3d3c n GLN 4 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3d3c s ARG 5 N 4.63 0.37 -0.29 -1.09 3.00 -1.26 -3.70 118.95 120.61 3d3c s ARG 5 Ca 0.56 0.62 0.01 0.00 -1.00 0.00 0.00 55.73 55.93 3d3c s ARG 5 Cb 0.06 0.05 0.06 0.00 0.00 0.00 0.00 34.95 35.13 3d3c s ARG 5 CO 0.06 -0.12 -0.04 0.42 0.00 0.00 0.00 175.30 175.63 3d3c s ILE 6 N 0.89 2.51 -0.17 4.11 1.01 -0.07 -0.53 121.20 128.94 3d3c s ILE 6 Ca -0.06 -1.67 -0.15 0.00 0.00 0.00 0.00 60.65 58.77 3d3c s ILE 6 Cb -0.06 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 3d3c s ILE 6 CO -0.07 -0.16 0.36 -0.60 0.00 0.00 0.00 174.94 174.47 3d3c s ARG 7 N 1.13 4.24 -0.11 2.79 3.52 0.13 -0.95 118.95 129.69 3d3c s ARG 7 Ca -0.04 0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.76 3d3c s ARG 7 Cb -0.20 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3d3c s ARG 7 CO -0.04 0.11 -0.15 0.42 -0.81 0.00 0.00 175.30 174.83 3d3c s ILE 8 N 0.84 1.49 -0.12 4.11 1.01 -0.08 0.51 121.20 128.96 3d3c s ILE 8 Ca 0.19 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 3d3c s ILE 8 Cb -0.14 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 3d3c s ILE 8 CO 0.07 0.44 -0.13 -0.60 0.00 0.00 0.00 174.94 174.72 3d3c s ARG 9 N 1.00 3.33 -0.04 2.79 3.52 0.33 -1.25 118.95 128.62 3d3c s ARG 9 Ca -0.06 -0.68 0.07 0.00 -0.13 0.00 0.00 55.73 54.93 3d3c s ARG 9 Cb -0.15 -2.62 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 3d3c s ARG 9 CO -0.02 0.25 -0.25 -0.51 -0.81 0.00 0.00 175.30 173.97 3d3c s LEU 10 N 0.25 2.11 -0.01 -0.88 1.43 -0.48 -0.76 118.68 120.34 3d3c s LEU 10 Ca -0.09 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 3d3c s LEU 10 Cb -0.15 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 3d3c s LEU 10 CO 0.05 0.29 -0.18 -0.54 0.23 0.00 0.00 176.35 176.20 3d3c s LYS 11 N -0.41 1.39 0.14 1.70 1.02 0.70 -2.18 119.74 122.11 3d3c s LYS 11 Ca 0.04 -0.66 -0.21 0.00 0.02 0.00 0.00 55.97 55.16 3d3c s LYS 11 Cb -0.12 -1.36 0.06 0.00 -0.52 0.00 0.00 37.83 35.89 3d3c s LYS 11 CO 0.01 0.37 0.54 0.00 -0.92 0.00 0.00 175.35 175.35 3d3c s ALA 12 N -0.46 -1.40 -2.07 5.17 0.00 -1.08 0.82 121.76 122.73 3d3c s ALA 12 Ca 0.07 0.36 0.25 0.00 0.00 0.00 0.00 51.96 52.63 3d3c s ALA 12 Cb -0.07 0.79 0.41 0.00 0.00 0.00 0.00 23.12 24.26 3d3c s ALA 12 CO -0.00 -0.71 1.36 1.19 0.00 0.00 0.00 175.76 177.59 3d3c n PHE 13 N -0.27 0.00 -3.85 0.00 3.01 -1.26 -0.52 117.46 114.57 3d3c n PHE 13 Ca -0.17 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.14 3d3c n PHE 13 Cb 0.64 -0.05 -0.16 0.00 -0.01 0.00 0.00 39.48 39.91 3d3c n PHE 13 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3d3c s ASP 14 N -2.39 0.16 0.33 4.37 2.15 -1.26 -4.87 116.67 115.16 3d3c s ASP 14 Ca 0.24 0.01 0.08 0.00 0.43 0.00 0.00 52.55 53.30 3d3c s ASP 14 Cb 0.19 -0.09 0.56 0.00 -0.30 0.00 0.00 42.92 43.28 3d3c s ASP 14 CO 0.50 -0.09 1.77 1.12 -0.17 0.00 0.00 175.17 178.31 3d3c h HIS 15 N 6.99 0.25 -0.24 -5.34 2.07 -1.99 -3.04 115.15 113.85 3d3c h HIS 15 Ca -0.40 -0.06 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3d3c h HIS 15 Cb 1.15 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 31.05 3d3c h HIS 15 CO 0.48 0.53 0.14 0.00 -3.07 0.00 0.00 177.93 176.02 3d3c h ARG 16 N 0.19 0.33 -0.37 5.12 3.08 -1.99 -1.43 114.38 119.31 3d3c h ARG 16 Ca 0.03 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3d3c h ARG 16 Cb 0.68 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3d3c h ARG 16 CO 0.05 0.26 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.00 3d3c h LEU 17 N 0.30 0.66 -0.27 3.04 3.38 -1.91 -2.38 115.31 118.14 3d3c h LEU 17 Ca 0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3d3c h LEU 17 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3d3c h LEU 17 CO -0.02 0.82 -0.29 -0.29 0.09 0.00 0.00 178.44 178.76 3d3c h ILE 18 N 0.61 0.53 0.04 1.22 2.10 -1.40 -2.76 117.51 117.85 3d3c h ILE 18 Ca 0.10 -1.61 -0.25 0.00 1.08 0.00 0.00 64.86 64.19 3d3c h ILE 18 Cb 0.59 2.15 -0.02 0.00 -1.09 0.00 0.00 36.82 38.45 3d3c h ILE 18 CO 0.04 0.29 -1.23 0.44 -1.08 0.00 0.00 178.15 176.61 3d3c h ASP 19 N 0.00 0.13 0.03 2.19 3.32 -1.09 -2.70 116.42 118.30 3d3c h ASP 19 Ca -0.00 -0.16 -0.19 0.00 0.02 0.00 0.00 57.03 56.70 3d3c h ASP 19 Cb 1.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3d3c h ASP 19 CO 0.04 1.13 -0.70 -0.61 -1.72 0.00 0.00 179.24 177.38 3d3c h GLN 20 N 0.02 0.61 -0.15 3.56 5.75 -1.44 -1.55 115.11 121.91 3d3c h GLN 20 Ca -0.11 -0.46 -0.03 0.00 -0.15 0.00 0.00 58.65 57.90 3d3c h GLN 20 Cb 1.88 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.51 3d3c h GLN 20 CO 0.14 1.09 -0.02 0.00 -2.65 0.00 0.00 178.83 177.39 3d3c h ALA 21 N 0.79 0.21 -0.71 3.38 0.00 -1.58 -1.49 119.26 119.86 3d3c h ALA 21 Ca -0.03 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3d3c h ALA 21 Cb 1.29 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3d3c h ALA 21 CO 0.13 -0.07 0.40 1.15 0.00 0.00 0.00 179.25 180.87 3d3c h THR 22 N 0.00 0.97 -0.73 0.00 2.02 -1.52 -1.03 112.91 112.63 3d3c h THR 22 Ca 0.04 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3d3c h THR 22 Cb 0.42 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3d3c h THR 22 CO 0.01 0.13 0.48 0.00 0.37 0.00 0.00 175.52 176.51 3d3c h ALA 23 N 1.37 0.93 -0.28 6.16 0.00 -1.11 -1.51 119.26 124.82 3d3c h ALA 23 Ca 0.32 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3d3c h ALA 23 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3d3c h ALA 23 CO -0.19 0.33 -0.43 0.93 0.00 0.00 0.00 179.25 179.88 3d3c h GLU 24 N 0.97 0.71 -0.51 0.00 5.08 -0.73 -2.19 114.58 117.91 3d3c h GLU 24 Ca 0.27 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3d3c h GLU 24 Cb -0.09 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3d3c h GLU 24 CO -0.07 1.00 0.24 0.82 -1.00 0.00 0.00 179.01 180.01 3d3c h ILE 25 N 0.58 1.19 0.10 3.13 2.04 -1.01 -1.13 117.51 122.41 3d3c h ILE 25 Ca 0.04 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.36 3d3c h ILE 25 Cb 0.98 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3d3c h ILE 25 CO 0.09 0.22 -0.12 0.58 0.00 0.00 0.00 178.15 178.91 3d3c h VAL 26 N 0.68 0.71 -0.13 1.67 2.07 -1.10 -1.47 116.25 118.67 3d3c h VAL 26 Ca 0.17 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.60 3d3c h VAL 26 Cb 0.12 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3d3c h VAL 26 CO -0.02 0.00 -0.35 1.05 0.02 0.00 0.00 177.57 178.27 3d3c h GLU 27 N -0.26 0.26 -0.64 1.57 4.11 -1.35 -1.01 114.58 117.26 3d3c h GLU 27 Ca 0.01 -0.11 -0.08 0.00 0.07 0.00 0.00 59.36 59.25 3d3c h GLU 27 Cb 0.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3d3c h GLU 27 CO -0.05 0.59 0.09 1.15 0.07 0.00 0.00 179.01 180.86 3d3c h THR 28 N 0.23 1.26 0.03 -1.06 2.02 -1.04 0.11 112.91 114.46 3d3c h THR 28 Ca 0.03 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 3d3c h THR 28 Cb 0.73 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3d3c h THR 28 CO 0.06 0.38 -0.02 0.00 0.37 0.00 0.00 175.52 176.31 3d3c h ALA 29 N 1.11 -0.05 0.00 6.16 0.00 -0.99 -3.17 119.26 122.32 3d3c h ALA 29 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3d3c h ALA 29 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3d3c h ALA 29 CO 0.01 -0.32 -0.17 0.87 0.00 0.00 0.00 179.25 179.64 3d3c h LYS 30 N -0.46 0.00 -0.47 0.00 1.57 -1.09 -2.05 116.57 114.07 3d3c h LYS 30 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3d3c h LYS 30 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3d3c h LYS 30 CO 0.01 0.17 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.83 3d3c h ARG 31 N 0.00 0.88 -0.36 3.15 2.43 -0.86 -3.26 114.38 116.37 3d3c h ARG 31 Ca -0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3d3c h ARG 31 Cb 0.75 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3d3c h ARG 31 CO 0.02 0.97 0.00 0.25 -1.51 0.00 0.00 179.97 179.70 3d3c n THR 32 N -4.14 0.48 -0.28 0.20 -2.24 -0.86 -4.88 114.28 102.57 3d3c n THR 32 Ca 0.01 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3d3c n THR 32 Cb 0.40 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3d3c n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d3c n GLY 33 N 1.01 1.55 3.78 3.38 0.00 -1.19 -4.56 105.19 109.15 3d3c n GLY 33 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3d3c n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3c s ALA 34 N -2.96 1.77 0.23 4.61 0.00 -0.83 -4.95 121.76 119.63 3d3c s ALA 34 Ca 0.00 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.63 3d3c s ALA 34 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3d3c s ALA 34 CO 0.00 -2.24 -0.12 -0.65 0.00 0.00 0.00 175.76 172.75 3d3c s GLN 35 N -5.21 1.94 -0.13 0.00 -1.52 -0.13 -4.14 119.66 110.48 3d3c s GLN 35 Ca 0.63 -1.49 0.01 0.00 -1.95 0.00 0.00 55.36 52.56 3d3c s GLN 35 Cb -0.15 -2.00 -0.01 0.00 -0.22 0.00 0.00 33.01 30.62 3d3c s GLN 35 CO 0.54 0.38 -0.15 0.08 -0.25 0.00 0.00 175.29 175.89 3d3c s VAL 36 N -2.10 2.82 -0.11 1.09 1.01 -1.26 -1.36 120.40 120.49 3d3c s VAL 36 Ca 0.27 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3d3c s VAL 36 Cb -0.07 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3d3c s VAL 36 CO 0.16 0.53 -0.08 -0.13 0.00 0.00 0.00 175.10 175.58 3d3c s ARG 37 N 0.38 3.18 4.37 2.72 0.52 0.54 -4.93 118.95 125.73 3d3c s ARG 37 Ca -0.12 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3d3c s ARG 37 Cb -0.16 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.61 3d3c s ARG 37 CO 0.06 0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.22 3d3c n GLY 38 N 2.94 0.96 3.78 -3.53 0.00 -1.26 -1.66 105.19 106.42 3d3c n GLY 38 Ca -0.18 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 3d3c n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d3c s PRO 39 N 0.00 1.89 0.06 1.61 0.04 -1.26 -4.97 135.00 132.36 3d3c s PRO 39 Ca 0.00 0.68 0.05 0.00 0.04 0.00 0.00 61.00 61.76 3d3c s PRO 39 Cb 0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3d3c s PRO 39 CO 0.00 -1.77 -0.13 0.96 0.04 0.00 0.00 177.00 176.11 3d3c s ILE 40 N -3.11 1.00 0.17 0.56 -4.36 0.35 -4.95 121.20 110.87 3d3c s ILE 40 Ca 0.61 -1.16 -0.19 0.00 -0.26 0.00 0.00 60.65 59.65 3d3c s ILE 40 Cb -0.15 -0.96 -0.08 0.00 1.25 0.00 0.00 42.46 42.52 3d3c s ILE 40 CO 0.55 -0.18 0.66 -2.16 0.24 0.00 0.00 174.94 174.05 3d3c s PRO 41 N -1.51 4.22 0.01 0.37 0.04 -1.26 -1.24 135.00 135.63 3d3c s PRO 41 Ca -0.02 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 61.80 3d3c s PRO 41 Cb -0.09 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 3d3c s PRO 41 CO 0.02 0.49 0.18 -0.51 0.04 0.00 0.00 177.00 177.21 3d3c s LEU 42 N -1.68 4.32 -0.85 -3.56 1.43 -0.20 -4.97 118.68 113.16 3d3c s LEU 42 Ca 0.38 0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 3d3c s LEU 42 Cb -0.18 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 3d3c s LEU 42 CO 0.21 0.24 1.97 -2.84 0.23 0.00 0.00 176.35 176.16 3d3c s PRO 43 N -2.09 2.50 0.00 1.29 0.02 -1.26 -4.41 135.00 131.05 3d3c s PRO 43 Ca 0.29 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.20 3d3c s PRO 43 Cb -0.13 -4.96 0.00 0.00 0.02 0.00 0.00 34.50 29.44 3d3c s PRO 43 CO 0.21 -3.37 0.69 -2.37 -0.33 0.00 0.00 177.00 171.83 3d3c n THR 44 N 7.85 0.00 -0.04 0.99 5.66 -1.26 -4.88 114.28 122.60 3d3c n THR 44 Ca 0.38 1.16 0.00 0.00 -3.05 0.00 0.00 64.05 62.54 3d3c n THR 44 Cb 0.47 -2.10 0.00 0.00 -1.55 0.00 0.00 70.33 67.15 3d3c n THR 44 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3d3c n ARG 45 N -1.55 0.00 0.00 1.09 0.63 -1.26 -4.90 116.66 110.67 3d3c n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3d3c n ARG 45 Cb 0.00 -3.55 0.00 0.00 0.45 0.00 0.00 32.46 29.36 3d3c n ARG 45 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3d3c n SER 46 N 0.00 0.04 0.10 6.15 3.41 -1.26 -5.03 113.62 117.03 3d3c n SER 46 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3d3c n SER 46 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 3d3c n SER 46 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3d3c h ARG 47 N 0.00 0.00 -5.28 4.33 9.65 -1.98 -3.46 114.38 117.64 3d3c h ARG 47 Ca 0.00 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.24 3d3c h ARG 47 Cb 0.00 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 28.36 3d3c h ARG 47 CO 0.00 0.00 -0.66 0.99 2.80 0.00 0.00 179.97 183.10 3d3c s THR 48 N -3.23 3.91 0.26 0.20 2.01 -1.26 -4.68 115.64 112.85 3d3c s THR 48 Ca 0.05 -0.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.44 3d3c s THR 48 Cb 0.11 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.81 3d3c s THR 48 CO 0.72 0.49 0.87 -1.00 -0.69 0.00 0.00 174.62 175.01 3d3c s HIS 49 N 0.41 3.77 -0.03 4.92 3.76 0.32 -4.69 115.29 123.76 3d3c s HIS 49 Ca -0.04 1.70 0.04 0.00 -0.15 0.00 0.00 55.06 56.62 3d3c s HIS 49 Cb -0.14 -2.84 -0.00 0.00 1.11 0.00 0.00 32.58 30.70 3d3c s HIS 49 CO 0.03 0.33 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.59 3d3c s LEU 50 N -1.73 1.91 0.06 0.89 1.43 -1.26 -2.65 118.68 117.33 3d3c s LEU 50 Ca 0.45 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3d3c s LEU 50 Cb -0.20 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 3d3c s LEU 50 CO 0.25 0.14 -0.10 -0.13 0.23 0.00 0.00 176.35 176.74 3d3c s ARG 51 N -0.03 0.67 -0.04 1.70 1.81 -0.92 -1.03 118.95 121.11 3d3c s ARG 51 Ca -0.01 -0.90 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 3d3c s ARG 51 Cb -0.09 -0.48 0.03 0.00 -0.45 0.00 0.00 34.95 33.95 3d3c s ARG 51 CO 0.01 0.09 -0.01 -1.17 -0.68 0.00 0.00 175.30 173.54 3d3c s LEU 52 N -1.81 1.15 -0.02 2.53 0.20 -0.37 -1.39 118.68 118.98 3d3c s LEU 52 Ca -0.05 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.72 3d3c s LEU 52 Cb -0.08 -0.30 0.02 0.00 -0.43 0.00 0.00 46.19 45.40 3d3c s LEU 52 CO 0.01 -0.10 -0.00 0.54 -0.29 0.00 0.00 176.35 176.51 3d3c s VAL 53 N 1.08 0.14 -0.16 1.68 0.11 -0.38 -0.49 120.40 122.38 3d3c s VAL 53 Ca -0.09 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 3d3c s VAL 53 Cb -0.14 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 3d3c s VAL 53 CO -0.01 0.10 -0.05 -1.81 -3.33 0.00 0.00 175.10 170.00 3d3c s ASP 54 N 0.64 4.66 -0.25 3.54 1.01 -0.66 -0.90 116.67 124.70 3d3c s ASP 54 Ca -0.06 -0.18 -0.09 0.00 0.71 0.00 0.00 52.55 52.93 3d3c s ASP 54 Cb -0.09 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 3d3c s ASP 54 CO -0.01 0.15 0.11 -0.63 0.21 0.00 0.00 175.17 175.00 3d3c s ILE 55 N 0.49 4.76 0.38 0.77 1.01 -0.13 -0.34 121.20 128.15 3d3c s ILE 55 Ca -0.04 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.67 3d3c s ILE 55 Cb -0.14 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 3d3c s ILE 55 CO 0.03 0.33 0.06 0.68 0.00 0.00 0.00 174.94 176.04 3d3c s VAL 56 N 1.43 2.39 -1.43 2.92 -7.23 -0.46 -0.90 120.40 117.11 3d3c s VAL 56 Ca 0.06 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3d3c s VAL 56 Cb -0.15 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.90 3d3c s VAL 56 CO 0.06 -0.10 0.33 -0.62 -0.31 0.00 0.00 175.10 174.45 3d3c n GLU 57 N -1.04 -2.67 -2.46 4.82 1.02 -1.24 -0.95 120.64 118.11 3d3c n GLU 57 Ca -0.03 0.33 -0.32 0.00 -0.02 0.00 0.00 57.16 57.11 3d3c n GLU 57 Cb 0.64 -4.28 -0.04 0.00 -0.02 0.00 0.00 31.44 27.75 3d3c n GLU 57 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3d3c s PRO 58 N -6.75 3.95 0.54 3.49 0.04 -1.26 -4.07 135.00 130.95 3d3c s PRO 58 Ca 0.01 1.02 0.09 0.00 0.04 0.00 0.00 61.00 62.17 3d3c s PRO 58 Cb -0.01 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.49 3d3c s PRO 58 CO 0.92 -0.27 0.75 0.25 0.04 0.00 0.00 177.00 178.69 3d3c n THR 59 N -1.40 0.00 0.15 1.26 -2.24 -1.26 -4.99 114.28 105.80 3d3c n THR 59 Ca 0.07 -1.79 0.01 0.00 -2.27 0.00 0.00 64.05 60.07 3d3c n THR 59 Cb 0.54 -0.56 0.22 0.00 -2.10 0.00 0.00 70.33 68.42 3d3c n THR 59 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3d3c h GLU 60 N 0.00 0.00 0.00 -0.78 4.57 -1.98 -2.81 114.58 113.59 3d3c h GLU 60 Ca -0.25 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.85 3d3c h GLU 60 Cb 1.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3d3c h GLU 60 CO 0.36 0.53 -0.37 1.57 -1.18 0.00 0.00 179.01 179.92 3d3c h LYS 61 N 0.00 0.00 -0.12 1.92 -0.00 -1.95 -2.06 116.57 114.35 3d3c h LYS 61 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 60.65 60.66 3d3c h LYS 61 Cb 1.06 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.28 3d3c h LYS 61 CO 0.07 0.37 0.03 1.15 -0.00 0.00 0.00 179.45 181.07 3d3c h THR 62 N 0.00 0.95 -0.23 0.07 2.02 -1.78 -0.81 112.91 113.13 3d3c h THR 62 Ca -0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3d3c h THR 62 Cb 0.96 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3d3c h THR 62 CO 0.05 0.01 0.04 0.58 0.37 0.00 0.00 175.52 176.57 3d3c h VAL 63 N 0.08 1.23 -0.04 3.16 2.07 -1.45 -2.01 116.25 119.29 3d3c h VAL 63 Ca 0.05 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3d3c h VAL 63 Cb 0.05 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3d3c h VAL 63 CO -0.07 0.24 -0.11 0.44 0.02 0.00 0.00 177.57 178.08 3d3c h ASP 64 N 0.19 -0.34 -0.92 0.57 3.45 -1.35 -1.72 116.42 116.31 3d3c h ASP 64 Ca 0.07 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 3d3c h ASP 64 Cb 0.32 0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.20 3d3c h ASP 64 CO 0.00 -0.16 0.57 0.44 -1.57 0.00 0.00 179.24 178.53 3d3c h ASP 65 N -0.18 1.09 -0.33 6.45 3.32 -1.11 -1.88 116.42 123.78 3d3c h ASP 65 Ca 0.05 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3d3c h ASP 65 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3d3c h ASP 65 CO -0.14 0.82 0.01 -0.07 -1.72 0.00 0.00 179.24 178.14 3d3c h LEU 66 N 1.26 0.65 -0.05 1.55 3.38 -1.11 -2.62 115.31 118.36 3d3c h LEU 66 Ca 0.33 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3d3c h LEU 66 Cb -0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3d3c h LEU 66 CO -0.07 0.71 0.00 0.23 0.09 0.00 0.00 178.44 179.41 3d3c n MET 67 N -4.24 0.22 -0.43 1.13 2.81 -0.67 -3.11 117.12 112.82 3d3c n MET 67 Ca 0.02 0.20 0.08 0.00 -1.81 0.00 0.00 57.70 56.20 3d3c n MET 67 Cb 0.27 -1.76 0.28 0.00 -0.71 0.00 0.00 33.22 31.30 3d3c n MET 67 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3d3c n ARG 68 N -2.14 3.23 -3.39 0.03 3.00 -0.77 -4.97 116.66 111.66 3d3c n ARG 68 Ca 0.06 -2.61 -0.40 0.00 -0.01 0.00 0.00 57.85 54.88 3d3c n ARG 68 Cb 0.40 -1.66 -0.09 0.00 0.00 0.00 0.00 32.46 31.11 3d3c n ARG 68 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3d3c s LEU 69 N -1.66 4.26 -0.51 0.55 2.96 -1.08 -5.04 118.68 118.17 3d3c s LEU 69 Ca 0.41 -0.01 -0.22 0.00 -0.22 0.00 0.00 54.13 54.10 3d3c s LEU 69 Cb 0.26 -2.38 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3d3c s LEU 69 CO 0.21 -0.28 0.76 -1.81 -1.32 0.00 0.00 176.35 173.91 3d3c s ASP 70 N 1.70 6.30 0.76 3.68 1.01 -1.26 -5.05 116.67 123.81 3d3c s ASP 70 Ca 0.13 -0.55 -0.12 0.00 0.71 0.00 0.00 52.55 52.72 3d3c s ASP 70 Cb -0.16 -2.36 0.05 0.00 1.01 0.00 0.00 42.92 41.46 3d3c s ASP 70 CO 0.11 -1.01 1.12 -0.76 0.21 0.00 0.00 175.17 174.85 3d3c s LEU 71 N 3.22 2.69 0.76 1.23 1.43 -1.26 -5.04 118.68 121.71 3d3c s LEU 71 Ca 0.23 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 3d3c s LEU 71 Cb -0.15 -3.70 0.05 0.00 0.03 0.00 0.00 46.19 42.42 3d3c s LEU 71 CO 0.17 -1.66 1.12 0.00 0.23 0.00 0.00 176.35 176.20 3d3c s ALA 72 N -3.39 2.19 0.39 4.21 0.00 -1.26 -4.96 121.76 118.94 3d3c s ALA 72 Ca 0.60 0.46 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 3d3c s ALA 72 Cb -0.12 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3d3c s ALA 72 CO 0.51 -1.78 0.85 0.00 0.00 0.00 0.00 175.76 175.34 3d3c n ALA 73 N -3.22 -0.53 -0.87 0.00 0.00 -1.26 -2.82 120.51 111.81 3d3c n ALA 73 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3d3c n ALA 73 Cb 0.52 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3d3c n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3c n GLY 74 N 1.41 0.51 3.60 0.00 0.00 -1.26 -4.95 105.19 104.50 3d3c n GLY 74 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3d3c n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3c s VAL 75 N -2.43 5.12 -0.02 1.61 1.01 -1.13 -4.36 120.40 120.20 3d3c s VAL 75 Ca 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.44 3d3c s VAL 75 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3d3c s VAL 75 CO 0.00 0.06 0.36 -0.62 0.00 0.00 0.00 175.10 174.91 3d3c s ASP 76 N 1.64 6.73 -0.01 3.32 2.15 0.24 -4.93 116.67 125.81 3d3c s ASP 76 Ca 0.17 0.87 0.03 0.00 0.43 0.00 0.00 52.55 54.05 3d3c s ASP 76 Cb -0.16 -2.22 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 3d3c s ASP 76 CO 0.10 0.33 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.65 3d3c s VAL 77 N -1.02 0.78 -0.13 1.11 1.01 -1.26 -0.21 120.40 120.68 3d3c s VAL 77 Ca 0.22 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3d3c s VAL 77 Cb -0.16 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3d3c s VAL 77 CO 0.12 0.23 -0.13 -1.10 0.00 0.00 0.00 175.10 174.22 3d3c s GLN 78 N -0.13 2.04 -0.15 2.72 -0.21 0.06 -5.00 119.66 118.99 3d3c s GLN 78 Ca 0.02 -0.47 -0.00 0.00 0.02 0.00 0.00 55.36 54.93 3d3c s GLN 78 Cb -0.05 -1.89 -0.01 0.00 1.00 0.00 0.00 33.01 32.07 3d3c s GLN 78 CO -0.00 -0.20 -0.13 0.42 -2.12 0.00 0.00 175.29 173.26 3d3c s ILE 79 N 1.40 2.95 -0.21 1.08 1.01 -1.26 -0.51 121.20 125.66 3d3c s ILE 79 Ca 0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 3d3c s ILE 79 Cb -0.13 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.08 3d3c s ILE 79 CO -0.07 0.51 -0.08 -0.44 0.00 0.00 0.00 174.94 174.86 3d3c s SER 80 N 0.63 4.03 -0.30 3.58 0.01 0.18 -4.98 113.70 116.86 3d3c s SER 80 Ca -0.07 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 3d3c s SER 80 Cb -0.16 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 3d3c s SER 80 CO 0.03 -0.02 0.17 -0.76 0.41 0.00 0.00 173.24 173.08 3d3c s LEU 81 N 1.43 4.06 0.00 2.44 1.02 -1.26 0.21 118.68 126.59 3d3c s LEU 81 Ca 0.06 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.96 3d3c s LEU 81 Cb -0.14 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 44.00 3d3c s LEU 81 CO -0.06 -0.12 0.00 0.61 0.02 0.00 0.00 176.35 176.80