#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 -0.11 0.00 0.24 -1.26 -5.01 118.33 112.19 1j0q n VAL 4 Ca 0.00 -0.22 -0.18 0.00 -2.04 0.00 0.00 64.34 61.90 1j0q n VAL 4 Cb 0.00 -1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 31.24 1j0q n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1j0q n LYS 5 N -5.08 0.55 -1.25 7.34 5.02 -1.26 -5.13 118.16 118.35 1j0q n LYS 5 Ca 0.13 0.35 0.16 0.00 -2.02 0.00 0.00 58.31 56.93 1j0q n LYS 5 Cb 0.55 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j0q n TYR 6 N -4.40 -3.30 -3.68 2.13 4.02 -1.26 -5.03 117.16 105.63 1j0q n TYR 6 Ca -0.31 1.77 -0.13 0.00 -0.01 0.00 0.00 57.90 59.21 1j0q n TYR 6 Cb 0.64 -3.00 -0.13 0.00 -0.02 0.00 0.00 39.34 36.83 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1j0q s TYR 7 N -3.49 -0.40 0.11 -0.72 2.02 0.53 -4.78 117.35 110.62 1j0q s TYR 7 Ca 0.00 0.92 -0.20 0.00 -0.37 0.00 0.00 57.07 57.42 1j0q s TYR 7 Cb 0.00 -0.01 -0.07 0.00 -0.40 0.00 0.00 41.96 41.48 1j0q s TYR 7 CO 0.00 -0.32 0.62 0.95 -1.57 0.00 0.00 175.55 175.23 1j0q s THR 8 N 2.08 4.66 0.41 -0.71 -4.23 -1.26 -0.68 115.64 115.91 1j0q s THR 8 Ca -0.02 1.29 0.23 0.00 -1.18 0.00 0.00 61.69 62.01 1j0q s THR 8 Cb -0.12 -3.93 0.43 0.00 1.34 0.00 0.00 72.50 70.22 1j0q s THR 8 CO -0.09 0.49 1.69 0.25 -0.54 0.00 0.00 174.62 176.42 1j0q h LEU 9 N 4.30 0.36 -0.68 4.79 6.46 -1.95 0.41 115.31 128.99 1j0q h LEU 9 Ca -0.49 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.50 1j0q h LEU 9 Cb 1.21 0.08 -0.12 0.00 -0.73 0.00 0.00 40.66 41.11 1j0q h LEU 9 CO 0.64 -0.07 -0.43 -0.08 -0.62 0.00 0.00 178.44 177.88 1j0q h GLU 10 N 0.24 -0.16 -0.20 1.25 4.57 -1.99 0.21 114.58 118.50 1j0q h GLU 10 Ca 0.72 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.89 1j0q h GLU 10 Cb 2.03 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 1j0q h GLU 10 CO -0.40 -0.11 0.04 0.93 -1.18 0.00 0.00 179.01 178.30 1j0q h GLU 11 N -0.16 0.32 -0.76 1.92 4.39 -0.65 -1.78 114.58 117.86 1j0q h GLU 11 Ca 0.21 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1j0q h GLU 11 Cb 0.55 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1j0q h GLU 11 CO -0.76 0.46 0.41 0.82 -1.16 0.00 0.00 179.01 178.78 1j0q h ILE 12 N 0.13 1.23 -0.14 3.13 2.04 -0.03 0.75 117.51 124.62 1j0q h ILE 12 Ca 0.06 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1j0q h ILE 12 Cb 0.28 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1j0q h ILE 12 CO 0.00 0.25 0.09 1.56 0.00 0.00 0.00 178.15 180.06 1j0q h GLN 13 N 1.05 0.18 -0.72 2.37 1.08 -0.67 -2.76 115.11 115.64 1j0q h GLN 13 Ca 0.27 -0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.61 1j0q h GLN 13 Cb 0.03 -0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.31 1j0q h GLN 13 CO -0.04 0.12 0.11 -0.22 -0.95 0.00 0.00 178.83 177.85 1j0q h LYS 14 N 0.18 0.20 -3.49 1.46 1.63 -0.17 -3.02 116.57 113.36 1j0q h LYS 14 Ca 0.05 -0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 59.18 1j0q h LYS 14 Cb -0.02 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1j0q h LYS 14 CO -0.01 0.13 3.40 0.72 -3.45 0.00 0.00 179.45 180.24 1j0q n HIS 15 N -5.22 2.70 -3.24 1.91 8.25 0.09 -4.63 115.22 115.08 1j0q n HIS 15 Ca 0.13 -2.88 -0.13 0.00 -0.26 0.00 0.00 57.72 54.59 1j0q n HIS 15 Cb 0.45 -2.40 -0.05 0.00 1.12 0.00 0.00 29.99 29.10 1j0q n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1j0q s ASN 16 N 2.83 0.26 0.00 0.41 3.84 -1.14 -1.47 114.94 119.67 1j0q s ASN 16 Ca 0.58 -1.65 0.00 0.00 0.21 0.00 0.00 52.86 52.00 1j0q s ASN 16 Cb 0.16 0.92 0.00 0.00 -0.55 0.00 0.00 41.25 41.78 1j0q s ASN 16 CO -0.06 -0.20 0.00 0.59 -2.79 0.00 0.00 177.10 174.65 1j0q n ASN 17 N 3.89 0.00 -2.79 -4.21 3.02 -1.21 -4.92 115.26 109.04 1j0q n ASN 17 Ca 0.15 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.60 1j0q n ASN 17 Cb 0.49 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.73 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1j0q n SER 18 N 0.00 -2.11 0.07 6.41 3.41 -1.26 -4.90 113.62 115.24 1j0q n SER 18 Ca 0.00 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.10 1j0q n SER 18 Cb 0.00 1.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1j0q n LYS 19 N 0.71 0.00 -0.22 4.33 4.76 -1.26 -5.12 118.16 121.37 1j0q n LYS 19 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1j0q n LYS 19 Cb 0.67 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.86 1j0q n LYS 19 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1j0q n SER 20 N -2.90 0.00 -3.63 4.39 7.64 -1.26 -5.05 113.62 112.82 1j0q n SER 20 Ca 0.00 -0.15 -0.28 0.00 1.01 0.00 0.00 58.87 59.45 1j0q n SER 20 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1j0q s THR 21 N -2.16 0.18 -0.05 0.44 2.01 -1.26 -3.29 115.64 111.51 1j0q s THR 21 Ca 0.00 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 1j0q s THR 21 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1j0q s THR 21 CO 0.00 -0.50 0.15 0.26 -0.69 0.00 0.00 174.62 173.84 1j0q s TRP 22 N 1.99 3.51 0.13 4.92 0.52 -0.54 -1.08 118.94 128.39 1j0q s TRP 22 Ca 0.05 0.38 -0.06 0.00 0.02 0.00 0.00 56.10 56.49 1j0q s TRP 22 Cb -0.16 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.29 1j0q s TRP 22 CO -0.22 0.65 0.17 -0.48 0.02 0.00 0.00 176.95 177.10 1j0q s LEU 23 N -1.58 1.42 -0.18 2.99 0.05 0.03 -0.14 118.68 121.27 1j0q s LEU 23 Ca 0.22 -0.93 -0.02 0.00 0.05 0.00 0.00 54.13 53.46 1j0q s LEU 23 Cb -0.12 0.83 -0.01 0.00 -2.05 0.00 0.00 46.19 44.84 1j0q s LEU 23 CO 0.13 -0.79 -0.10 -0.63 -0.55 0.00 0.00 176.35 174.41 1j0q s ILE 24 N -3.96 3.02 -0.39 1.48 1.01 0.07 -0.66 121.20 121.76 1j0q s ILE 24 Ca 0.16 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1j0q s ILE 24 Cb 0.05 -2.32 0.12 0.00 0.01 0.00 0.00 42.46 40.32 1j0q s ILE 24 CO -0.03 0.48 0.17 -0.76 0.00 0.00 0.00 174.94 174.81 1j0q s LEU 25 N 1.06 2.91 -0.58 2.97 1.02 -0.97 -1.00 118.68 124.09 1j0q s LEU 25 Ca -0.00 -2.30 -0.02 0.00 0.02 0.00 0.00 54.13 51.83 1j0q s LEU 25 Cb -0.15 -1.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 1j0q s LEU 25 CO -0.02 -0.32 0.50 1.41 0.02 0.00 0.00 176.35 177.94 1j0q n HIS 26 N 3.99 -1.26 0.00 0.29 8.25 -1.26 -3.89 115.22 121.35 1j0q n HIS 26 Ca 0.05 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1j0q n HIS 26 Cb 0.37 -3.45 0.00 0.00 1.12 0.00 0.00 29.99 28.04 1j0q n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j0q n TYR 27 N -2.49 0.00 -1.36 4.41 4.01 -1.26 -4.94 117.16 115.54 1j0q n TYR 27 Ca -0.07 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.36 1j0q n TYR 27 Cb 0.57 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.69 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1j0q s LYS 28 N 0.00 2.26 -0.06 -0.72 -0.14 -1.25 -0.52 119.74 119.31 1j0q s LYS 28 Ca 0.00 1.01 0.04 0.00 -1.36 0.00 0.00 55.97 55.66 1j0q s LYS 28 Cb 0.00 -1.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.22 1j0q s LYS 28 CO 0.00 -1.60 -0.18 0.08 -0.76 0.00 0.00 175.35 172.90 1j0q s VAL 29 N -2.97 2.75 -0.10 3.17 1.01 -0.00 -2.30 120.40 121.96 1j0q s VAL 29 Ca 0.61 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1j0q s VAL 29 Cb -0.16 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1j0q s VAL 29 CO 0.56 0.58 -0.01 -0.31 0.00 0.00 0.00 175.10 175.91 1j0q s TYR 30 N -0.45 0.89 -0.08 5.22 1.51 0.16 -1.27 117.35 123.34 1j0q s TYR 30 Ca 0.05 -0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 1j0q s TYR 30 Cb -0.12 -0.92 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1j0q s TYR 30 CO 0.02 -0.40 0.23 0.34 -1.11 0.00 0.00 175.55 174.62 1j0q s ASP 31 N 1.90 6.52 0.00 2.29 -1.08 -0.79 -0.79 116.67 124.72 1j0q s ASP 31 Ca 0.04 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.70 1j0q s ASP 31 Cb -0.13 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1j0q s ASP 31 CO -0.06 0.38 0.78 0.18 0.52 0.00 0.00 175.17 176.97 1j0q n LEU 32 N 1.89 1.52 -0.21 -1.34 4.77 -0.24 -4.80 117.00 118.58 1j0q n LEU 32 Ca -0.18 -1.52 -0.01 0.00 -0.03 0.00 0.00 56.01 54.28 1j0q n LEU 32 Cb 0.54 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1j0q n LEU 32 CO 0.33 0.38 0.32 0.35 -1.33 0.00 0.00 177.39 177.44 1j0q n THR 33 N -0.30 -0.29 -0.06 -5.08 -2.24 -1.26 0.72 114.28 105.77 1j0q n THR 33 Ca 0.00 1.29 -0.14 0.00 -2.27 0.00 0.00 64.05 62.93 1j0q n THR 33 Cb 0.18 -1.69 -0.07 0.00 -2.10 0.00 0.00 70.33 66.65 1j0q n THR 33 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1j0q h LYS 34 N 0.00 0.44 0.00 -0.78 1.57 -1.98 -3.29 116.57 112.53 1j0q h LYS 34 Ca 0.18 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1j0q h LYS 34 Cb 0.32 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1j0q h LYS 34 CO -0.54 0.84 -0.15 0.35 -0.57 0.00 0.00 179.45 179.38 1j0q h PHE 35 N 0.07 0.00 -0.80 -1.35 3.57 -0.07 -0.60 116.94 117.75 1j0q h PHE 35 Ca 0.02 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.76 1j0q h PHE 35 Cb 0.79 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.38 1j0q h PHE 35 CO 0.09 0.15 0.10 1.28 -2.23 0.00 0.00 178.31 177.70 1j0q n LEU 36 N -3.66 -0.02 0.10 0.59 4.77 0.44 -0.28 117.00 118.94 1j0q n LEU 36 Ca -0.02 1.36 -0.11 0.00 -0.03 0.00 0.00 56.01 57.22 1j0q n LEU 36 Cb 0.27 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1j0q n LEU 36 CO 0.31 -1.41 0.38 -0.33 -1.33 0.00 0.00 177.39 175.01 1j0q h GLU 37 N 0.00 -0.32 -0.93 3.23 5.08 -1.32 -2.90 114.58 117.41 1j0q h GLU 37 Ca 0.53 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 1j0q h GLU 37 Cb 1.17 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1j0q h GLU 37 CO -0.73 0.03 0.55 1.49 -1.00 0.00 0.00 179.01 179.35 1j0q h GLU 38 N -0.92 1.28 -6.29 2.33 4.81 -1.20 -3.46 114.58 111.13 1j0q h GLU 38 Ca -0.03 -0.12 -0.65 0.00 -0.13 0.00 0.00 59.36 58.43 1j0q h GLU 38 Cb 0.50 -0.26 0.03 0.00 0.63 0.00 0.00 28.75 29.64 1j0q h GLU 38 CO 0.06 0.90 0.90 1.58 -0.73 0.00 0.00 179.01 181.71 1j0q n HIS 39 N -4.35 2.14 -0.34 0.92 -0.00 0.62 -4.89 115.22 109.32 1j0q n HIS 39 Ca 0.10 0.27 0.11 0.00 0.46 0.00 0.00 57.72 58.67 1j0q n HIS 39 Cb 0.07 -2.54 0.31 0.00 -0.12 0.00 0.00 29.99 27.71 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 7.39 0.79 0.00 1.57 0.11 -1.90 0.20 132.00 140.16 1j0q h PRO 40 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1j0q h PRO 40 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j0q h PRO 40 CO 0.92 0.52 0.00 0.41 -0.21 0.00 0.00 178.00 179.64 1j0q n GLY 41 N -1.36 -1.10 0.28 -0.55 0.00 -1.26 -5.01 105.19 96.18 1j0q n GLY 41 Ca 0.21 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.29 -1.77 0.11 -0.02 0.00 0.70 -4.44 105.19 99.47 1j0q n GLY 42 Ca 0.02 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.27 0.25 -0.62 1.61 4.81 -1.79 -3.35 114.58 115.23 1j0q h GLU 43 Ca -0.01 -0.16 0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1j0q h GLU 43 Cb 0.26 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.54 1j0q h GLU 43 CO 0.01 0.73 -0.31 0.93 -0.73 0.00 0.00 179.01 179.63 1j0q h GLU 44 N -0.21 -0.13 -0.78 1.92 5.08 -1.90 0.29 114.58 118.86 1j0q h GLU 44 Ca 0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1j0q h GLU 44 Cb 0.72 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1j0q h GLU 44 CO 0.03 -0.09 0.48 -0.39 -1.00 0.00 0.00 179.01 178.05 1j0q h VAL 45 N -0.14 1.07 -0.64 3.13 -1.51 -1.78 0.13 116.25 116.52 1j0q h VAL 45 Ca 0.25 -0.31 -0.08 0.00 -1.23 0.00 0.00 66.70 65.33 1j0q h VAL 45 Cb 0.55 0.08 -0.03 0.00 -2.13 0.00 0.00 31.29 29.76 1j0q h VAL 45 CO -0.69 0.17 0.10 -0.07 -1.23 0.00 0.00 177.57 175.85 1j0q h LEU 46 N 0.92 1.02 -0.34 4.19 3.38 -0.68 -0.28 115.31 123.51 1j0q h LEU 46 Ca 0.32 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1j0q h LEU 46 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1j0q h LEU 46 CO -0.14 1.02 -0.22 0.03 0.09 0.00 0.00 178.44 179.22 1j0q h ARG 47 N 0.98 0.75 -0.32 1.13 3.08 0.04 0.31 114.38 120.35 1j0q h ARG 47 Ca 0.19 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.93 1j0q h ARG 47 Cb 0.44 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1j0q h ARG 47 CO 0.01 0.97 0.09 1.49 -1.07 0.00 0.00 179.97 181.47 1j0q h GLU 48 N 0.53 0.22 0.00 0.04 4.57 -0.56 -3.03 114.58 116.34 1j0q h GLU 48 Ca 0.07 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.03 1j0q h GLU 48 Cb 0.78 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 1j0q h GLU 48 CO 0.06 0.14 -1.01 1.96 -1.18 0.00 0.00 179.01 178.98 1j0q h GLN 49 N 0.22 0.00 -7.02 1.92 7.50 -0.95 -3.47 115.11 113.31 1j0q h GLN 49 Ca 0.15 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 58.84 1j0q h GLN 49 Cb 0.13 0.00 0.22 0.00 0.05 0.00 0.00 27.48 27.88 1j0q h GLN 49 CO -0.17 0.96 -0.25 0.00 -1.50 0.00 0.00 178.83 177.87 1j0q n ALA 50 N -2.35 -2.97 -3.40 3.87 0.00 0.11 -3.93 120.51 111.83 1j0q n ALA 50 Ca -0.01 -1.12 -0.20 0.00 0.00 0.00 0.00 53.44 52.12 1j0q n ALA 50 Cb 0.94 -1.90 0.07 0.00 0.00 0.00 0.00 19.45 18.55 1j0q n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0q n GLY 51 N 1.19 -0.30 0.00 0.00 0.00 0.81 -4.92 105.19 101.96 1j0q n GLY 51 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.71 -0.57 3.63 -0.02 0.00 -1.25 -4.21 105.19 101.06 1j0q n GLY 52 Ca -0.02 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 6.66 -0.15 1.61 -1.08 -1.26 -0.75 116.67 117.70 1j0q s ASP 53 Ca 0.00 1.11 0.18 0.00 -0.52 0.00 0.00 52.55 53.32 1j0q s ASP 53 Cb 0.00 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.25 1j0q s ASP 53 CO 0.00 -1.11 1.19 0.00 0.52 0.00 0.00 175.17 175.78 1j0q n ALA 54 N 7.69 2.51 0.26 3.66 0.00 -0.17 -4.81 120.51 129.65 1j0q n ALA 54 Ca 0.15 -2.66 -0.16 0.00 0.00 0.00 0.00 53.44 50.77 1j0q n ALA 54 Cb 0.47 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 0.32 0.50 0.17 0.00 2.02 -1.80 0.15 112.91 114.27 1j0q h THR 55 Ca 0.00 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1j0q h THR 55 Cb 1.06 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1j0q h THR 55 CO 0.03 0.04 -0.34 -0.33 0.37 0.00 0.00 175.52 175.29 1j0q h GLU 56 N -0.78 -0.58 -0.70 6.66 5.08 -1.90 -1.10 114.58 121.26 1j0q h GLU 56 Ca -0.07 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1j0q h GLU 56 Cb 0.56 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 1j0q h GLU 56 CO 0.11 -0.38 0.23 -0.97 -1.00 0.00 0.00 179.01 176.99 1j0q h ASN 57 N -0.60 0.16 0.23 1.42 -0.73 -1.85 0.23 115.58 114.44 1j0q h ASN 57 Ca 0.02 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 1j0q h ASN 57 Cb 0.61 0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.32 1j0q h ASN 57 CO -0.17 0.06 -0.11 0.15 -0.37 0.00 0.00 177.43 176.99 1j0q h PHE 58 N 0.36 -0.29 0.71 0.67 3.57 -0.36 -2.55 116.94 119.05 1j0q h PHE 58 Ca 0.38 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1j0q h PHE 58 Cb 0.58 0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.43 1j0q h PHE 58 CO -0.20 -0.17 -0.34 0.93 -2.23 0.00 0.00 178.31 176.29 1j0q h GLU 59 N -0.32 -0.92 -0.54 1.11 4.39 -0.09 -3.08 114.58 115.13 1j0q h GLU 59 Ca -0.03 0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.79 1j0q h GLU 59 Cb 0.25 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.03 1j0q h GLU 59 CO 0.05 -0.61 -0.30 -3.47 -1.16 0.00 0.00 179.01 173.52 1j0q n ASP 60 N -4.69 -0.53 0.22 1.42 2.03 0.72 0.03 116.55 115.74 1j0q n ASP 60 Ca -0.12 0.97 0.08 0.00 0.52 0.00 0.00 54.79 56.24 1j0q n ASP 60 Cb 0.38 -0.14 0.50 0.00 -0.72 0.00 0.00 41.12 41.14 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 -0.40 -0.67 3.86 -1.50 -3.49 115.15 112.95 1j0q h HIS 61 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1j0q h HIS 61 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1j0q h HIS 61 CO -0.54 0.25 0.00 0.41 0.86 0.00 0.00 177.93 178.91 1j0q n GLY 62 N -0.28 -1.71 3.08 2.45 0.00 0.10 -5.12 105.19 103.71 1j0q n GLY 62 Ca -0.01 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1j0q n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j0q s HIS 63 N -0.23 -0.29 0.92 1.61 3.76 -1.26 -4.98 115.29 114.82 1j0q s HIS 63 Ca 0.00 0.70 -0.12 0.00 -0.15 0.00 0.00 55.06 55.49 1j0q s HIS 63 Cb 0.00 0.06 0.14 0.00 1.11 0.00 0.00 32.58 33.89 1j0q s HIS 63 CO 0.00 -0.18 1.12 0.45 -0.85 0.00 0.00 174.74 175.28 1j0q s SER 64 N 0.72 3.41 0.31 1.40 0.15 -1.26 -4.79 113.70 113.64 1j0q s SER 64 Ca -0.05 1.06 0.07 0.00 0.70 0.00 0.00 55.95 57.73 1j0q s SER 64 Cb -0.06 -1.68 0.84 0.00 -1.71 0.00 0.00 66.02 63.41 1j0q s SER 64 CO -0.04 -2.62 1.67 0.71 1.20 0.00 0.00 173.24 174.16 1j0q h THR 65 N -1.54 0.37 0.03 6.45 1.35 -2.02 0.33 112.91 117.87 1j0q h THR 65 Ca -0.51 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1j0q h THR 65 Cb 1.32 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1j0q h THR 65 CO 0.61 0.06 -0.01 0.44 -0.25 0.00 0.00 175.52 176.36 1j0q h ASP 66 N 0.32 -0.03 -0.80 5.36 5.19 -1.99 0.16 116.42 124.63 1j0q h ASP 66 Ca 0.62 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.79 1j0q h ASP 66 Cb 1.27 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 1j0q h ASP 66 CO -0.60 0.20 0.42 0.00 -3.12 0.00 0.00 179.24 176.15 1j0q h ALA 67 N 0.71 1.22 0.32 3.45 0.00 -1.74 0.70 119.26 123.91 1j0q h ALA 67 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j0q h ALA 67 Cb 0.24 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1j0q h ALA 67 CO 0.01 0.62 -0.49 -0.09 0.00 0.00 0.00 179.25 179.29 1j0q h ARG 68 N 1.14 -0.82 -0.41 0.00 9.65 -0.47 0.69 114.38 124.16 1j0q h ARG 68 Ca 0.28 0.06 0.08 0.00 -1.10 0.00 0.00 59.98 59.30 1j0q h ARG 68 Cb 0.06 0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 28.76 1j0q h ARG 68 CO -0.04 -0.55 -0.01 1.49 2.80 0.00 0.00 179.97 183.66 1j0q h GLU 69 N -0.85 0.09 -0.56 0.20 4.57 -0.11 0.20 114.58 118.12 1j0q h GLU 69 Ca -0.04 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1j0q h GLU 69 Cb 0.78 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.25 1j0q h GLU 69 CO -0.16 0.06 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.59 1j0q h LEU 70 N 0.10 -0.40 -1.51 1.64 -0.00 -0.77 -0.52 115.31 113.85 1j0q h LEU 70 Ca 0.20 0.15 0.01 0.00 -0.00 0.00 0.00 57.88 58.24 1j0q h LEU 70 Cb 0.29 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1j0q h LEU 70 CO -0.34 -0.15 0.33 0.77 -0.00 0.00 0.00 178.44 179.05 1j0q h SER 71 N 0.05 0.57 0.25 -0.43 4.64 0.12 0.16 113.55 118.92 1j0q h SER 71 Ca 0.28 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1j0q h SER 71 Cb 0.44 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1j0q h SER 71 CO -0.53 0.41 -0.19 0.11 -0.87 0.00 0.00 176.83 175.76 1j0q h LYS 72 N 0.68 -0.44 0.00 4.77 1.57 -0.28 -1.42 116.57 121.45 1j0q h LYS 72 Ca 0.18 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1j0q h LYS 72 Cb -0.08 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1j0q h LYS 72 CO -0.04 -0.29 0.00 0.00 -0.57 0.00 0.00 179.45 178.55 1j0q h THR 73 N -0.45 0.00 0.00 -0.16 1.03 -0.88 -0.60 112.91 111.84 1j0q h THR 73 Ca -0.02 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1j0q h THR 73 Cb 0.40 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1j0q h THR 73 CO -0.01 0.00 -0.10 0.49 -0.01 0.00 0.00 175.52 175.89 1j0q n PHE 74 N -2.93 0.10 -1.71 0.00 3.72 -0.05 -4.90 117.46 111.68 1j0q n PHE 74 Ca -0.00 0.03 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1j0q n PHE 74 Cb 0.21 -0.50 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 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 -1.58 1.02 -0.10 4.37 5.41 -0.24 -1.89 119.36 126.36 1j0q n ILE 75 Ca 0.07 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1j0q n ILE 75 Cb 0.35 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 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 1.99 0.00 -0.35 1.39 -5.35 -0.39 -4.91 119.36 111.74 1j0q n ILE 76 Ca 0.10 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1j0q n ILE 76 Cb 0.34 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 0.41 -2.18 3.11 3.28 0.00 -1.23 -4.93 105.19 103.66 1j0q n GLY 77 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.93 0.51 0.16 1.61 2.02 -1.26 -0.82 118.70 118.99 1j0q s GLU 78 Ca 0.00 -0.51 -0.32 0.00 0.02 0.00 0.00 54.97 54.16 1j0q s GLU 78 Cb 0.00 0.21 -0.10 0.00 0.10 0.00 0.00 34.13 34.34 1j0q s GLU 78 CO 0.00 -0.12 1.62 -1.17 0.02 0.00 0.00 175.26 175.61 1j0q s LEU 79 N -1.62 4.37 1.03 1.80 2.96 0.32 -0.35 118.68 127.20 1j0q s LEU 79 Ca -0.12 2.66 -0.11 0.00 -0.22 0.00 0.00 54.13 56.34 1j0q s LEU 79 Cb -0.06 -3.59 0.21 0.00 0.50 0.00 0.00 46.19 43.25 1j0q s LEU 79 CO -0.00 -0.87 1.10 -2.28 -1.32 0.00 0.00 176.35 172.97 1j0q s HIS 80 N 1.42 1.45 0.10 5.38 5.04 0.14 -4.82 115.29 124.00 1j0q s HIS 80 Ca 0.72 1.56 -0.04 0.00 -1.54 0.00 0.00 55.06 55.76 1j0q s HIS 80 Cb -0.45 -3.25 -0.21 0.00 0.04 0.00 0.00 32.58 28.72 1j0q s HIS 80 CO 0.32 -3.31 1.21 -1.35 -2.34 0.00 0.00 174.74 169.26 1j0q h PRO 81 N -2.23 0.32 0.00 2.88 0.11 -1.93 -3.14 132.00 128.01 1j0q h PRO 81 Ca -0.51 -0.46 0.00 0.00 0.11 0.00 0.00 66.00 65.14 1j0q h PRO 81 Cb 1.30 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1j0q h PRO 81 CO 0.45 1.17 0.00 -3.47 -0.21 0.00 0.00 178.00 175.94 1j0q n ASP 82 N -3.62 0.00 -0.01 -2.05 2.03 -1.26 -2.29 116.55 109.35 1j0q n ASP 82 Ca -0.08 0.48 0.10 0.00 0.52 0.00 0.00 54.79 55.82 1j0q n ASP 82 Cb 0.95 -0.48 -0.15 0.00 -0.72 0.00 0.00 41.12 40.72 1j0q n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1j0q n ASP 83 N -1.48 0.41 0.00 1.67 -0.08 -1.19 -5.16 116.55 110.73 1j0q n ASP 83 Ca 0.00 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 1j0q n ASP 83 Cb 0.01 1.78 0.00 0.00 2.34 0.00 0.00 41.12 45.24 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21