#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0q n VAL 4 N 0.00 0.00 0.03 0.00 0.31 -1.26 -3.91 118.33 113.50 1j0q n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j0q n VAL 4 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1j0q n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1j0q n LYS 5 N 11.11 0.00 -1.39 5.55 4.81 -1.26 -5.14 118.16 131.83 1j0q n LYS 5 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1j0q n LYS 5 Cb 0.00 -0.38 -0.07 0.00 0.02 0.00 0.00 35.03 34.60 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1j0q n TYR 6 N -3.10 -3.77 -3.64 5.64 4.01 -1.25 -4.95 117.16 110.11 1j0q n TYR 6 Ca 0.00 2.07 -0.15 0.00 -0.16 0.00 0.00 57.90 59.67 1j0q n TYR 6 Cb 0.25 -3.37 -0.08 0.00 -0.31 0.00 0.00 39.34 35.83 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1j0q s TYR 7 N -4.49 -0.63 0.20 -0.72 1.51 0.19 -4.70 117.35 108.70 1j0q s TYR 7 Ca 0.00 1.42 -0.03 0.00 -1.01 0.00 0.00 57.07 57.45 1j0q s TYR 7 Cb 0.00 0.26 -0.05 0.00 -0.11 0.00 0.00 41.96 42.06 1j0q s TYR 7 CO 0.00 -0.40 0.43 0.95 -1.11 0.00 0.00 175.55 175.42 1j0q s THR 8 N -0.17 5.14 0.34 -0.71 -4.23 -1.26 0.06 115.64 114.81 1j0q s THR 8 Ca -0.04 -0.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1j0q s THR 8 Cb -0.03 -3.69 0.32 0.00 1.34 0.00 0.00 72.50 70.43 1j0q s THR 8 CO 0.03 -0.14 1.81 0.25 -0.54 0.00 0.00 174.62 176.04 1j0q h LEU 9 N 2.20 0.70 -0.45 4.79 5.85 -1.93 0.13 115.31 126.59 1j0q h LEU 9 Ca -0.47 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.36 1j0q h LEU 9 Cb 1.18 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1j0q h LEU 9 CO 0.69 0.28 -0.34 -0.08 -0.34 0.00 0.00 178.44 178.64 1j0q h GLU 10 N 0.69 -0.09 -0.25 1.25 4.57 -2.00 0.18 114.58 118.93 1j0q h GLU 10 Ca 0.53 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.73 1j0q h GLU 10 Cb 0.92 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 1j0q h GLU 10 CO -0.30 -0.06 0.12 0.93 -1.18 0.00 0.00 179.01 178.52 1j0q h GLU 11 N -0.10 0.25 -0.36 1.92 4.39 -1.51 -3.12 114.58 116.06 1j0q h GLU 11 Ca 0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1j0q h GLU 11 Cb 0.29 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1j0q h GLU 11 CO -0.48 0.17 0.19 0.82 -1.16 0.00 0.00 179.01 178.55 1j0q h ILE 12 N 0.26 1.15 -0.40 3.13 2.04 0.22 -1.49 117.51 122.43 1j0q h ILE 12 Ca 0.10 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.63 1j0q h ILE 12 Cb 0.03 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 1j0q h ILE 12 CO -0.07 0.16 -0.10 1.56 0.00 0.00 0.00 178.15 179.70 1j0q h GLN 13 N 0.45 0.00 0.00 2.37 4.20 -0.69 -0.20 115.11 121.24 1j0q h GLN 13 Ca 0.12 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1j0q h GLN 13 Cb 0.08 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1j0q h GLN 13 CO -0.02 0.00 -0.00 -0.22 -0.67 0.00 0.00 178.83 177.92 1j0q h LYS 14 N 0.00 0.00 -3.16 1.46 1.63 -1.25 -3.25 116.57 112.00 1j0q h LYS 14 Ca 0.19 0.00 -0.80 0.00 -0.85 0.00 0.00 60.65 59.19 1j0q h LYS 14 Cb 0.29 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 31.66 1j0q h LYS 14 CO -0.41 0.00 0.87 0.72 -3.45 0.00 0.00 179.45 177.18 1j0q n HIS 15 N -3.36 3.00 -2.13 1.91 8.25 -0.09 -4.41 115.22 118.39 1j0q n HIS 15 Ca -0.03 -2.88 -0.02 0.00 -0.26 0.00 0.00 57.72 54.53 1j0q n HIS 15 Cb 0.08 -1.44 -0.02 0.00 1.12 0.00 0.00 29.99 29.72 1j0q n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1j0q n ASN 16 N 1.97 -0.16 -2.83 0.41 0.23 -0.87 -0.36 115.26 113.66 1j0q n ASN 16 Ca 0.27 -1.82 -0.11 0.00 -0.53 0.00 0.00 54.58 52.40 1j0q n ASN 16 Cb 0.35 0.02 0.06 0.00 -2.08 0.00 0.00 39.78 38.14 1j0q n ASN 16 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1j0q n ASN 17 N 0.13 -1.59 0.00 0.53 0.23 -0.75 -4.89 115.26 108.92 1j0q n ASN 17 Ca -0.10 -3.49 0.00 0.00 -0.53 0.00 0.00 54.58 50.45 1j0q n ASN 17 Cb 0.78 1.32 0.00 0.00 -2.08 0.00 0.00 39.78 39.80 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1j0q n SER 18 N 0.30 0.00 -0.06 0.53 2.88 -1.26 -4.63 113.62 111.38 1j0q n SER 18 Ca 0.10 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.63 1j0q n SER 18 Cb 0.70 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.15 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1j0q n LYS 19 N 0.00 -0.05 -3.09 -1.46 4.76 -1.26 -4.81 118.16 112.24 1j0q n LYS 19 Ca 0.00 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1j0q n LYS 19 Cb 0.00 -0.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1j0q n SER 20 N -4.19 0.00 -3.98 4.39 2.88 -1.26 -4.98 113.62 106.48 1j0q n SER 20 Ca 0.01 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.24 1j0q n SER 20 Cb 0.04 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.36 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j0q s THR 21 N -2.44 2.19 0.27 2.46 2.01 -1.25 -1.80 115.64 117.07 1j0q s THR 21 Ca 0.00 -2.41 0.03 0.00 0.31 0.00 0.00 61.69 59.62 1j0q s THR 21 Cb 0.00 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1j0q s THR 21 CO 0.00 -0.64 0.42 0.26 -0.69 0.00 0.00 174.62 173.97 1j0q s TRP 22 N 0.78 3.47 0.16 4.92 0.52 0.51 -1.20 118.94 128.11 1j0q s TRP 22 Ca 0.12 0.12 -0.21 0.00 0.02 0.00 0.00 56.10 56.15 1j0q s TRP 22 Cb -0.20 -1.69 0.06 0.00 -1.15 0.00 0.00 33.47 30.49 1j0q s TRP 22 CO -0.08 0.34 0.55 -0.48 0.02 0.00 0.00 176.95 177.30 1j0q s LEU 23 N -4.03 -0.29 -0.19 2.99 2.34 -0.05 -0.13 118.68 119.33 1j0q s LEU 23 Ca 0.36 -0.13 -0.05 0.00 0.06 0.00 0.00 54.13 54.37 1j0q s LEU 23 Cb -0.09 2.40 -0.03 0.00 -0.56 0.00 0.00 46.19 47.91 1j0q s LEU 23 CO 0.31 -0.97 -0.01 -0.63 -1.06 0.00 0.00 176.35 173.99 1j0q s ILE 24 N -3.78 3.94 -0.37 1.48 1.01 -0.21 -0.95 121.20 122.32 1j0q s ILE 24 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1j0q s ILE 24 Cb -0.01 -2.76 0.12 0.00 0.01 0.00 0.00 42.46 39.82 1j0q s ILE 24 CO -0.11 0.45 0.18 -0.76 0.00 0.00 0.00 174.94 174.70 1j0q s LEU 25 N 0.79 2.07 -0.35 2.97 1.02 -0.78 -0.60 118.68 123.79 1j0q s LEU 25 Ca -0.00 -2.14 -0.00 0.00 0.02 0.00 0.00 54.13 52.01 1j0q s LEU 25 Cb -0.14 -0.81 -0.00 0.00 0.02 0.00 0.00 46.19 45.26 1j0q s LEU 25 CO 0.02 -0.33 0.29 1.41 0.02 0.00 0.00 176.35 177.76 1j0q n HIS 26 N 4.16 -0.65 0.00 0.29 8.25 -1.26 -3.99 115.22 122.02 1j0q n HIS 26 Ca 0.05 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1j0q n HIS 26 Cb 0.38 -2.92 0.00 0.00 1.12 0.00 0.00 29.99 28.57 1j0q n HIS 26 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1j0q n TYR 27 N -1.93 0.00 -1.56 4.41 9.36 -1.26 -4.93 117.16 121.25 1j0q n TYR 27 Ca -0.08 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.76 1j0q n TYR 27 Cb 0.55 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.30 1j0q n TYR 27 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1j0q n LYS 28 N 0.00 0.80 -4.84 2.98 3.00 -1.26 -0.57 118.16 118.27 1j0q n LYS 28 Ca 0.00 0.31 -0.31 0.00 -0.00 0.00 0.00 58.31 58.31 1j0q n LYS 28 Cb 0.00 -1.98 -0.14 0.00 0.00 0.00 0.00 35.03 32.92 1j0q n LYS 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1j0q s VAL 29 N -1.56 2.64 -0.05 3.15 1.01 0.03 -1.87 120.40 123.74 1j0q s VAL 29 Ca 0.72 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1j0q s VAL 29 Cb -0.44 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1j0q s VAL 29 CO 0.51 0.43 -0.07 -0.31 0.00 0.00 0.00 175.10 175.65 1j0q s TYR 30 N -0.82 1.00 -0.17 5.22 1.51 -0.12 -1.45 117.35 122.51 1j0q s TYR 30 Ca 0.13 -0.32 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1j0q s TYR 30 Cb -0.10 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1j0q s TYR 30 CO 0.03 -0.22 0.11 0.34 -1.11 0.00 0.00 175.55 174.70 1j0q s ASP 31 N 0.82 6.06 0.00 2.29 -1.08 -1.10 -0.87 116.67 122.81 1j0q s ASP 31 Ca -0.12 0.24 0.04 0.00 -0.52 0.00 0.00 52.55 52.19 1j0q s ASP 31 Cb -0.15 -2.03 0.08 0.00 -1.46 0.00 0.00 42.92 39.36 1j0q s ASP 31 CO 0.01 0.24 0.89 0.18 0.52 0.00 0.00 175.17 177.01 1j0q n LEU 32 N 3.12 1.89 -0.28 -1.34 4.77 -0.34 -4.82 117.00 119.99 1j0q n LEU 32 Ca -0.17 -1.56 -0.07 0.00 -0.03 0.00 0.00 56.01 54.18 1j0q n LEU 32 Cb 0.53 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1j0q n LEU 32 CO 0.35 0.45 0.43 0.35 -1.33 0.00 0.00 177.39 177.64 1j0q n THR 33 N 0.03 -0.46 0.07 -5.08 -2.24 -1.26 0.65 114.28 106.00 1j0q n THR 33 Ca 0.03 1.94 -0.01 0.00 -2.27 0.00 0.00 64.05 63.75 1j0q n THR 33 Cb 0.22 -2.43 0.28 0.00 -2.10 0.00 0.00 70.33 66.30 1j0q n THR 33 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1j0q h LYS 34 N 0.00 0.32 0.00 -0.78 3.64 -1.97 -2.91 116.57 114.87 1j0q h LYS 34 Ca 0.11 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1j0q h LYS 34 Cb 0.28 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1j0q h LYS 34 CO -0.63 0.55 -0.30 0.35 -2.27 0.00 0.00 179.45 177.15 1j0q h PHE 35 N 0.29 0.00 -0.98 1.91 3.57 -0.14 -2.28 116.94 119.32 1j0q h PHE 35 Ca 0.05 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.87 1j0q h PHE 35 Cb 0.59 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.17 1j0q h PHE 35 CO 0.01 0.30 0.46 -0.07 -2.23 0.00 0.00 178.31 176.78 1j0q h LEU 36 N 0.00 0.29 -0.89 0.59 3.38 -0.34 0.42 115.31 118.77 1j0q h LEU 36 Ca -0.00 0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1j0q h LEU 36 Cb 0.66 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 1j0q h LEU 36 CO 0.04 -0.22 0.55 -0.33 0.09 0.00 0.00 178.44 178.56 1j0q h GLU 37 N 0.21 0.94 0.05 1.13 5.08 -1.57 -3.34 114.58 117.08 1j0q h GLU 37 Ca 0.71 -0.06 -0.36 0.00 -1.00 0.00 0.00 59.36 58.65 1j0q h GLU 37 Cb 1.66 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 1j0q h GLU 37 CO -0.68 0.62 -2.10 -1.91 -1.00 0.00 0.00 179.01 173.95 1j0q n GLU 38 N -4.62 0.68 -1.50 2.33 2.13 0.12 -4.99 120.64 114.77 1j0q n GLU 38 Ca 0.14 0.28 -0.58 0.00 0.66 0.00 0.00 57.16 57.66 1j0q n GLU 38 Cb 0.21 -1.63 -0.09 0.00 0.27 0.00 0.00 31.44 30.20 1j0q n GLU 38 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1j0q n HIS 39 N -3.67 1.61 -0.29 4.31 -0.00 0.64 -4.85 115.22 112.98 1j0q n HIS 39 Ca -0.39 0.63 0.30 0.00 0.46 0.00 0.00 57.72 58.71 1j0q n HIS 39 Cb 0.95 -2.39 0.67 0.00 -0.12 0.00 0.00 29.99 29.10 1j0q n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1j0q h PRO 40 N 8.87 0.12 0.00 1.57 0.11 -1.94 0.14 132.00 140.87 1j0q h PRO 40 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1j0q h PRO 40 Cb 1.36 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1j0q h PRO 40 CO 1.02 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 1j0q n GLY 41 N -1.66 -1.28 0.00 -0.55 0.00 -1.26 -5.04 105.19 95.40 1j0q n GLY 41 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1j0q n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0q n GLY 42 N 1.02 -1.91 0.12 -0.02 0.00 0.48 -4.61 105.19 100.27 1j0q n GLY 42 Ca 0.08 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j0q h GLU 43 N 0.00 0.32 -0.52 1.61 4.22 -1.84 -3.36 114.58 115.01 1j0q h GLU 43 Ca 0.00 -0.55 0.08 0.00 0.08 0.00 0.00 59.36 58.96 1j0q h GLU 43 Cb 0.00 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 1j0q h GLU 43 CO 0.00 1.26 -0.47 0.93 -2.18 0.00 0.00 179.01 178.56 1j0q h GLU 44 N -0.27 -0.27 0.00 1.92 5.08 -1.96 0.22 114.58 119.31 1j0q h GLU 44 Ca -0.21 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1j0q h GLU 44 Cb 1.76 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1j0q h GLU 44 CO 0.15 -0.18 -0.13 -0.24 -1.00 0.00 0.00 179.01 177.60 1j0q h VAL 45 N -0.28 0.41 0.09 3.13 3.04 -1.82 0.37 116.25 121.21 1j0q h VAL 45 Ca 0.15 -0.74 -0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1j0q h VAL 45 Cb 0.57 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1j0q h VAL 45 CO -0.65 0.13 -0.05 -0.07 -1.01 0.00 0.00 177.57 175.92 1j0q h LEU 46 N 0.00 -0.11 -0.29 3.16 3.38 -0.91 -3.25 115.31 117.29 1j0q h LEU 46 Ca -0.00 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1j0q h LEU 46 Cb 0.52 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1j0q h LEU 46 CO 0.02 0.25 -0.13 -0.09 0.09 0.00 0.00 178.44 178.58 1j0q h ARG 47 N -0.48 -0.08 -0.92 1.13 9.65 0.80 0.49 114.38 124.98 1j0q h ARG 47 Ca -0.01 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.06 1j0q h ARG 47 Cb 0.40 0.02 -0.17 0.00 -1.39 0.00 0.00 29.97 28.82 1j0q h ARG 47 CO 0.02 -0.05 -0.20 -1.91 2.80 0.00 0.00 179.97 180.63 1j0q n GLU 48 N -5.30 -0.08 -0.03 0.20 2.13 -0.03 -2.08 120.64 115.45 1j0q n GLU 48 Ca 0.00 1.42 -0.10 0.00 0.66 0.00 0.00 57.16 59.15 1j0q n GLU 48 Cb 0.22 -2.14 -0.14 0.00 0.27 0.00 0.00 31.44 29.64 1j0q n GLU 48 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1j0q n GLN 49 N -5.48 0.65 -1.10 5.31 1.13 0.12 -4.99 117.38 113.01 1j0q n GLN 49 Ca 0.16 0.27 -0.31 0.00 -1.94 0.00 0.00 57.00 55.18 1j0q n GLN 49 Cb 0.49 -1.77 0.11 0.00 0.11 0.00 0.00 30.24 29.19 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j0q s ALA 50 N -2.59 2.02 -1.40 -1.58 0.00 0.15 -2.59 121.76 115.77 1j0q s ALA 50 Ca -0.07 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1j0q s ALA 50 Cb 0.08 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1j0q s ALA 50 CO 0.82 -2.07 0.58 0.41 0.00 0.00 0.00 175.76 175.50 1j0q n GLY 51 N -0.72 -0.28 0.00 0.00 0.00 0.81 -4.82 105.19 100.18 1j0q n GLY 51 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1j0q n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0q n GLY 52 N -1.79 -1.05 3.68 -0.02 0.00 -1.07 -4.19 105.19 100.75 1j0q n GLY 52 Ca -0.26 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1j0q n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0q s ASP 53 N 0.00 7.16 -0.16 1.61 -1.08 -1.26 -1.05 116.67 121.90 1j0q s ASP 53 Ca 0.00 1.53 0.15 0.00 -0.52 0.00 0.00 52.55 53.71 1j0q s ASP 53 Cb 0.00 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.33 1j0q s ASP 53 CO 0.00 -0.55 1.21 0.00 0.52 0.00 0.00 175.17 176.35 1j0q n ALA 54 N 5.52 3.37 0.35 3.66 0.00 0.23 -4.89 120.51 128.75 1j0q n ALA 54 Ca 0.10 -3.08 -0.14 0.00 0.00 0.00 0.00 53.44 50.33 1j0q n ALA 54 Cb 0.47 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 1j0q n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1j0q h THR 55 N 2.62 0.00 -0.20 0.00 2.02 -1.90 0.58 112.91 116.03 1j0q h THR 55 Ca -0.05 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1j0q h THR 55 Cb 1.25 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1j0q h THR 55 CO 0.05 0.00 -0.14 -0.33 0.37 0.00 0.00 175.52 175.47 1j0q h GLU 56 N -0.90 -0.13 -0.79 6.66 5.08 -1.92 -2.03 114.58 120.55 1j0q h GLU 56 Ca -0.09 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.45 1j0q h GLU 56 Cb 0.69 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.85 1j0q h GLU 56 CO 0.15 -0.09 0.25 -0.97 -1.00 0.00 0.00 179.01 177.35 1j0q h ASN 57 N -0.14 0.12 -0.02 1.42 -0.73 -1.91 0.25 115.58 114.57 1j0q h ASN 57 Ca 0.12 0.15 0.01 0.00 1.87 0.00 0.00 56.30 58.45 1j0q h ASN 57 Cb 0.31 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1j0q h ASN 57 CO -0.28 -0.02 -0.05 0.15 -0.37 0.00 0.00 177.43 176.86 1j0q h PHE 58 N 0.32 -0.12 0.72 0.67 3.57 -0.16 -2.57 116.94 119.37 1j0q h PHE 58 Ca 0.46 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.93 1j0q h PHE 58 Cb 0.80 0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.60 1j0q h PHE 58 CO -0.22 -0.08 -0.35 0.93 -2.23 0.00 0.00 178.31 176.36 1j0q h GLU 59 N -0.08 -0.93 -0.26 1.11 4.39 -0.70 -3.30 114.58 114.81 1j0q h GLU 59 Ca 0.03 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.81 1j0q h GLU 59 Cb 0.12 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1j0q h GLU 59 CO -0.07 -0.62 -0.15 -3.47 -1.16 0.00 0.00 179.01 173.54 1j0q n ASP 60 N -5.24 -0.27 0.28 1.42 2.03 0.73 -0.02 116.55 115.48 1j0q n ASP 60 Ca -0.12 0.46 0.19 0.00 0.52 0.00 0.00 54.79 55.83 1j0q n ASP 60 Cb 0.38 -0.06 0.89 0.00 -0.72 0.00 0.00 41.12 41.62 1j0q n ASP 60 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1j0q h HIS 61 N 0.00 0.00 -0.74 -0.67 3.86 -1.55 -3.46 115.15 112.59 1j0q h HIS 61 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1j0q h HIS 61 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1j0q h HIS 61 CO -0.26 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.94 1j0q n GLY 62 N -0.63 0.96 3.76 2.45 0.00 0.97 -5.02 105.19 107.68 1j0q n GLY 62 Ca -0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1j0q n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j0q n HIS 63 N -1.81 2.93 -1.78 1.61 8.25 -1.24 -4.99 115.22 118.18 1j0q n HIS 63 Ca 0.00 0.31 -0.29 0.00 -0.26 0.00 0.00 57.72 57.48 1j0q n HIS 63 Cb 0.36 -2.58 0.12 0.00 1.12 0.00 0.00 29.99 29.01 1j0q n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j0q s SER 64 N 0.31 3.94 0.25 0.41 0.15 -1.26 -4.81 113.70 112.68 1j0q s SER 64 Ca 0.60 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.98 1j0q s SER 64 Cb -0.48 -1.21 0.45 0.00 -1.71 0.00 0.00 66.02 63.07 1j0q s SER 64 CO 0.53 -2.26 1.76 0.00 1.20 0.00 0.00 173.24 174.47 1j0q h THR 65 N -1.30 0.76 -0.52 6.45 1.03 -1.98 0.26 112.91 117.62 1j0q h THR 65 Ca -0.47 -0.20 0.07 0.00 -0.01 0.00 0.00 66.41 65.80 1j0q h THR 65 Cb 1.32 0.12 -0.10 0.00 -1.07 0.00 0.00 68.15 68.42 1j0q h THR 65 CO 0.60 0.11 -0.49 0.44 -0.01 0.00 0.00 175.52 176.17 1j0q h ASP 66 N 0.59 -1.65 -0.72 0.00 5.19 -1.99 0.32 116.42 118.15 1j0q h ASP 66 Ca 0.41 0.25 -0.06 0.00 -0.62 0.00 0.00 57.03 57.01 1j0q h ASP 66 Cb 0.54 0.72 -0.03 0.00 0.18 0.00 0.00 39.33 40.74 1j0q h ASP 66 CO -0.34 -0.36 0.23 0.00 -3.12 0.00 0.00 179.24 175.65 1j0q h ALA 67 N 0.35 1.02 0.66 3.45 0.00 -1.69 -0.26 119.26 122.79 1j0q h ALA 67 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1j0q h ALA 67 Cb 0.57 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1j0q h ALA 67 CO -0.65 0.66 -0.32 0.00 0.00 0.00 0.00 179.25 178.94 1j0q h ARG 68 N 1.08 -0.85 -0.94 0.00 -0.00 0.12 0.20 114.38 114.00 1j0q h ARG 68 Ca 0.24 0.06 0.09 0.00 -0.50 0.00 0.00 59.98 59.87 1j0q h ARG 68 Cb 0.30 0.19 -0.12 0.00 0.00 0.00 0.00 29.97 30.35 1j0q h ARG 68 CO -0.01 -0.53 -0.52 -1.91 0.00 0.00 0.00 179.97 177.00 1j0q n GLU 69 N -5.40 -0.38 -0.34 0.04 0.00 0.10 -1.33 120.64 113.34 1j0q n GLU 69 Ca -0.12 1.42 0.11 0.00 0.00 0.00 0.00 57.16 58.56 1j0q n GLU 69 Cb 0.37 -2.09 0.29 0.00 0.00 0.00 0.00 31.44 30.01 1j0q n GLU 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1j0q h LEU 70 N 0.00 0.75 -0.82 4.31 -0.00 -0.48 0.23 115.31 119.31 1j0q h LEU 70 Ca 0.18 0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 58.11 1j0q h LEU 70 Cb 0.41 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 40.99 1j0q h LEU 70 CO -0.89 0.30 0.36 0.77 -0.00 0.00 0.00 178.44 178.98 1j0q h SER 71 N 0.77 1.10 0.09 -0.43 4.64 0.70 0.33 113.55 120.75 1j0q h SER 71 Ca 0.54 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1j0q h SER 71 Cb 0.78 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1j0q h SER 71 CO -0.36 0.95 -0.12 0.11 -0.87 0.00 0.00 176.83 176.54 1j0q h LYS 72 N 1.18 -0.25 -0.40 4.77 1.57 -0.06 -0.99 116.57 122.40 1j0q h LYS 72 Ca 0.28 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.17 1j0q h LYS 72 Cb 0.17 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1j0q h LYS 72 CO -0.03 -0.16 0.28 1.15 -0.57 0.00 0.00 179.45 180.12 1j0q h THR 73 N -0.26 0.84 -0.01 -0.16 2.02 -0.44 -0.68 112.91 114.23 1j0q h THR 73 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1j0q h THR 73 Cb 0.26 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1j0q h THR 73 CO -0.06 0.02 -0.01 0.49 0.37 0.00 0.00 175.52 176.32 1j0q n PHE 74 N -4.44 0.00 -1.65 3.16 3.72 0.11 -4.93 117.46 113.43 1j0q n PHE 74 Ca 0.06 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.97 1j0q n PHE 74 Cb 0.42 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.90 1j0q n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1j0q n ILE 75 N 0.14 0.11 0.00 4.37 5.41 -0.26 -2.69 119.36 126.43 1j0q n ILE 75 Ca 0.19 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1j0q n ILE 75 Cb 0.36 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1j0q n ILE 76 N 3.50 0.00 -3.91 1.39 -5.35 -0.52 -4.94 119.36 109.53 1j0q n ILE 76 Ca 0.19 -0.15 0.01 0.00 -0.27 0.00 0.00 62.75 62.53 1j0q n ILE 76 Cb 0.25 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0q n GLY 77 N 1.04 0.51 3.25 3.28 0.00 -1.17 -4.86 105.19 107.24 1j0q n GLY 77 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1j0q n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j0q s GLU 78 N -2.00 0.96 -0.16 1.61 2.02 -1.26 -0.79 118.70 119.08 1j0q s GLU 78 Ca 0.05 -1.04 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 1j0q s GLU 78 Cb -0.00 0.35 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 1j0q s GLU 78 CO -0.00 -0.32 0.65 -0.48 0.02 0.00 0.00 175.26 175.12 1j0q s LEU 79 N -2.90 4.20 0.20 1.80 -0.00 0.26 -0.64 118.68 121.60 1j0q s LEU 79 Ca 0.10 0.94 -0.32 0.00 -0.00 0.00 0.00 54.13 54.85 1j0q s LEU 79 Cb 0.04 -2.94 -0.12 0.00 -0.00 0.00 0.00 46.19 43.17 1j0q s LEU 79 CO -0.07 -0.22 1.70 -2.28 -0.00 0.00 0.00 176.35 175.49 1j0q s HIS 80 N 1.54 2.91 -1.67 3.48 5.65 0.11 -4.83 115.29 122.47 1j0q s HIS 80 Ca 0.31 0.37 0.14 0.00 0.25 0.00 0.00 55.06 56.13 1j0q s HIS 80 Cb -0.16 -4.11 0.75 0.00 -1.18 0.00 0.00 32.58 27.88 1j0q s HIS 80 CO 0.12 -4.21 1.31 -2.30 -0.65 0.00 0.00 174.74 169.02 1j0q n PRO 81 N 4.04 0.30 0.31 2.88 -0.02 -1.26 -0.74 135.00 140.51 1j0q n PRO 81 Ca 0.16 0.09 0.20 0.00 -2.02 0.00 0.00 63.50 61.93 1j0q n PRO 81 Cb 0.36 -1.50 1.01 0.00 -0.02 0.00 0.00 33.50 33.35 1j0q n PRO 81 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j0q h ASP 82 N 0.00 0.00 0.00 2.55 3.58 -2.00 -3.39 116.42 117.16 1j0q h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1j0q h ASP 82 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1j0q h ASP 82 CO 0.00 0.01 0.00 -0.67 -2.88 0.00 0.00 179.24 175.70 1j0q n ASP 83 N -3.17 0.00 0.00 2.28 -0.08 0.08 -5.20 116.55 110.46 1j0q n ASP 83 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1j0q n ASP 83 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86