#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 -0.00 0.00 0.31 -1.26 -3.42 118.33 113.96 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 0.29 -1.32 0.00 0.00 176.83 175.80 1j0q n LYS 5 N 9.45 0.01 -1.02 5.55 5.02 -1.26 -5.16 118.16 130.74 1j0q n LYS 5 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1j0q n LYS 5 Cb 0.00 -0.58 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -2.95 -2.78 -3.73 2.13 4.02 -1.22 -5.02 117.16 107.61 1j0q n TYR 6 Ca -0.01 1.52 -0.16 0.00 -0.01 0.00 0.00 57.90 59.24 1j0q n TYR 6 Cb 0.50 -2.51 -0.16 0.00 -0.02 0.00 0.00 39.34 37.15 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 -4.60 -0.03 0.45 -0.72 1.51 0.41 -4.80 117.35 109.58 1j0q s TYR 7 Ca 0.00 0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 56.16 1j0q s TYR 7 Cb 0.00 -0.26 -0.09 0.00 -0.11 0.00 0.00 41.96 41.50 1j0q s TYR 7 CO 0.00 -0.15 0.94 0.95 -1.11 0.00 0.00 175.55 176.18 1j0q s THR 8 N 1.45 4.49 0.28 -0.71 -4.23 -1.26 -0.62 115.64 115.04 1j0q s THR 8 Ca -0.05 1.30 0.01 0.00 -1.18 0.00 0.00 61.69 61.77 1j0q s THR 8 Cb -0.12 -3.66 0.26 0.00 1.34 0.00 0.00 72.50 70.32 1j0q s THR 8 CO -0.04 -0.47 1.76 0.25 -0.54 0.00 0.00 174.62 175.59 1j0q h LEU 9 N 1.51 0.59 -0.96 4.79 6.46 -1.94 0.14 115.31 125.90 1j0q h LEU 9 Ca -0.48 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.48 1j0q h LEU 9 Cb 1.18 -0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.99 1j0q h LEU 9 CO 0.62 0.23 -0.51 1.21 -0.62 0.00 0.00 178.44 179.36 1j0q n GLU 10 N -4.85 -0.37 0.18 1.25 4.07 -1.26 -0.71 120.64 118.95 1j0q n GLU 10 Ca 0.19 1.46 -0.14 0.00 -0.06 0.00 0.00 57.16 58.61 1j0q n GLU 10 Cb 0.48 -2.15 -0.08 0.00 -0.06 0.00 0.00 31.44 29.63 1j0q n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1j0q h GLU 11 N 0.00 -0.43 -0.59 5.31 4.39 -1.54 -3.30 114.58 118.42 1j0q h GLU 11 Ca 0.20 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.04 1j0q h GLU 11 Cb 0.44 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.11 1j0q h GLU 11 CO -0.92 -0.14 0.13 0.82 -1.16 0.00 0.00 179.01 177.75 1j0q h ILE 12 N -0.72 0.66 -0.53 3.13 2.04 0.62 0.28 117.51 122.99 1j0q h ILE 12 Ca -0.05 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.83 1j0q h ILE 12 Cb 0.49 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1j0q h ILE 12 CO 0.08 0.05 0.03 1.56 0.00 0.00 0.00 178.15 179.87 1j0q h GLN 13 N 0.27 0.15 -0.09 2.37 4.20 -1.04 -2.69 115.11 118.28 1j0q h GLN 13 Ca 0.31 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.83 1j0q h GLN 13 Cb 0.44 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1j0q h GLN 13 CO -0.39 0.10 -0.71 -0.22 -0.67 0.00 0.00 178.83 176.94 1j0q h LYS 14 N 0.15 0.42 -4.28 1.46 1.63 -0.69 -3.27 116.57 111.99 1j0q h LYS 14 Ca 0.27 -0.34 -0.58 0.00 -0.85 0.00 0.00 60.65 59.16 1j0q h LYS 14 Cb 0.41 0.07 0.05 0.00 -0.60 0.00 0.00 32.23 32.16 1j0q h LYS 14 CO -0.42 0.97 2.29 0.72 -3.45 0.00 0.00 179.45 179.56 1j0q n HIS 15 N -3.85 1.65 -0.64 1.91 8.25 0.54 -3.89 115.22 119.19 1j0q n HIS 15 Ca -0.04 -1.75 0.00 0.00 -0.26 0.00 0.00 57.72 55.66 1j0q n HIS 15 Cb 0.70 -1.63 0.00 0.00 1.12 0.00 0.00 29.99 30.18 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 6.84 0.42 0.00 0.41 0.23 -1.23 -0.68 115.26 121.25 1j0q n ASN 16 Ca 0.47 -1.06 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 1j0q n ASN 16 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1j0q n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1j0q n ASN 17 N -0.03 0.00 -3.18 0.53 5.15 -1.25 -4.85 115.26 111.63 1j0q n ASN 17 Ca 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 1j0q n ASN 17 Cb 0.20 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.42 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1j0q n SER 18 N 0.00 7.63 0.14 1.20 7.64 -1.26 -3.00 113.62 125.96 1j0q n SER 18 Ca 0.00 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1j0q n SER 18 Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j0q n LYS 19 N 1.68 0.00 0.00 1.43 4.76 -1.26 -5.09 118.16 119.68 1j0q n LYS 19 Ca 0.60 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1j0q n LYS 19 Cb 0.34 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 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 -3.07 0.00 -4.43 4.39 2.88 -1.16 -5.05 113.62 107.18 1j0q n SER 20 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1j0q n SER 20 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.56 5.04 0.14 2.46 2.01 -1.26 -3.65 115.64 119.82 1j0q s THR 21 Ca 0.00 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1j0q s THR 21 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1j0q s THR 21 CO 0.00 -0.66 0.16 0.26 -0.69 0.00 0.00 174.62 173.69 1j0q s TRP 22 N 2.19 3.24 0.12 4.92 0.52 0.15 -1.67 118.94 128.41 1j0q s TRP 22 Ca 0.11 0.04 -0.07 0.00 0.02 0.00 0.00 56.10 56.20 1j0q s TRP 22 Cb -0.21 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 1j0q s TRP 22 CO 0.10 0.52 0.18 -0.51 0.02 0.00 0.00 176.95 177.26 1j0q s LEU 23 N -2.98 1.44 -0.23 2.99 1.02 0.29 0.04 118.68 121.26 1j0q s LEU 23 Ca 0.32 -0.86 -0.09 0.00 0.02 0.00 0.00 54.13 53.52 1j0q s LEU 23 Cb -0.11 0.87 -0.04 0.00 0.02 0.00 0.00 46.19 46.93 1j0q s LEU 23 CO 0.24 -0.77 0.12 -0.63 0.02 0.00 0.00 176.35 175.33 1j0q s ILE 24 N -3.94 5.01 -0.36 -0.59 1.01 -0.33 -0.53 121.20 121.48 1j0q s ILE 24 Ca 0.12 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1j0q s ILE 24 Cb 0.05 -3.32 0.11 0.00 0.01 0.00 0.00 42.46 39.31 1j0q s ILE 24 CO -0.05 0.37 0.13 -0.76 0.00 0.00 0.00 174.94 174.63 1j0q s LEU 25 N 0.99 2.82 -0.73 2.97 1.02 -0.92 -0.59 118.68 124.24 1j0q s LEU 25 Ca 0.06 -2.03 -0.01 0.00 0.02 0.00 0.00 54.13 52.17 1j0q s LEU 25 Cb -0.14 -1.05 -0.01 0.00 0.02 0.00 0.00 46.19 45.01 1j0q s LEU 25 CO 0.04 -0.36 0.62 1.41 0.02 0.00 0.00 176.35 178.07 1j0q n HIS 26 N 4.35 -1.46 0.00 0.29 8.25 -1.26 -3.71 115.22 121.68 1j0q n HIS 26 Ca 0.02 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1j0q n HIS 26 Cb 0.40 -3.83 0.00 0.00 1.12 0.00 0.00 29.99 27.67 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 -2.87 0.00 -1.26 4.41 4.01 -1.26 -4.93 117.16 115.25 1j0q n TYR 27 Ca -0.14 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.30 1j0q n TYR 27 Cb 0.60 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.75 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 1.66 -0.04 -0.72 -0.14 -1.24 -0.55 119.74 118.71 1j0q s LYS 28 Ca 0.00 0.90 0.07 0.00 -1.36 0.00 0.00 55.97 55.58 1j0q s LYS 28 Cb 0.00 -1.85 -0.02 0.00 -1.68 0.00 0.00 37.83 34.29 1j0q s LYS 28 CO 0.00 -1.99 -0.25 0.08 -0.76 0.00 0.00 175.35 172.43 1j0q s VAL 29 N -2.95 2.08 -0.18 3.17 1.01 0.14 -2.17 120.40 121.51 1j0q s VAL 29 Ca 0.62 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1j0q s VAL 29 Cb -0.17 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1j0q s VAL 29 CO 0.56 0.58 -0.01 -0.31 0.00 0.00 0.00 175.10 175.92 1j0q s TYR 30 N -0.41 1.45 0.09 5.22 1.51 0.30 -1.27 117.35 124.24 1j0q s TYR 30 Ca 0.04 -1.02 -0.15 0.00 -1.01 0.00 0.00 57.07 54.93 1j0q s TYR 30 Cb -0.12 -1.19 -0.06 0.00 -0.11 0.00 0.00 41.96 40.48 1j0q s TYR 30 CO 0.01 -0.61 0.50 0.34 -1.11 0.00 0.00 175.55 174.68 1j0q s ASP 31 N 1.72 6.84 0.00 2.29 2.15 -0.88 -0.54 116.67 128.24 1j0q s ASP 31 Ca -0.01 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.02 1j0q s ASP 31 Cb -0.16 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1j0q s ASP 31 CO -0.07 0.19 0.00 0.18 -0.17 0.00 0.00 175.17 175.30 1j0q n LEU 32 N 1.20 0.41 0.00 -1.34 4.77 -0.67 -4.74 117.00 116.64 1j0q n LEU 32 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1j0q n LEU 32 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1j0q n LEU 32 CO 0.41 -0.05 0.00 0.41 -1.33 0.00 0.00 177.39 176.83 1j0q n THR 33 N -2.73 0.00 -0.16 -5.08 -1.04 -1.25 -0.82 114.28 103.20 1j0q n THR 33 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1j0q n THR 33 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1j0q n THR 33 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1j0q h LYS 34 N 0.00 0.71 0.00 -2.82 3.64 -1.97 -3.28 116.57 112.86 1j0q h LYS 34 Ca 0.00 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1j0q h LYS 34 Cb 0.00 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1j0q h LYS 34 CO 0.00 0.68 -0.11 0.35 -2.27 0.00 0.00 179.45 178.10 1j0q h PHE 35 N 0.60 0.00 -0.92 1.91 3.57 -1.34 0.16 116.94 120.93 1j0q h PHE 35 Ca 0.15 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.97 1j0q h PHE 35 Cb 0.26 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 38.83 1j0q h PHE 35 CO 0.01 0.11 0.27 1.28 -2.23 0.00 0.00 178.31 177.75 1j0q n LEU 36 N -3.53 0.12 0.04 0.59 4.77 -1.24 -0.96 117.00 116.80 1j0q n LEU 36 Ca -0.02 1.55 -0.01 0.00 -0.03 0.00 0.00 56.01 57.50 1j0q n LEU 36 Cb 0.25 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1j0q n LEU 36 CO 0.29 -1.66 0.39 -0.33 -1.33 0.00 0.00 177.39 174.75 1j0q h GLU 37 N 0.00 -0.09 -2.29 3.23 4.39 -1.18 -3.17 114.58 115.47 1j0q h GLU 37 Ca 0.68 0.01 -0.24 0.00 0.34 0.00 0.00 59.36 60.15 1j0q h GLU 37 Cb 1.64 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 30.27 1j0q h GLU 37 CO -0.79 -0.06 0.35 0.39 -1.16 0.00 0.00 179.01 177.75 1j0q n GLU 38 N -2.31 2.00 -3.92 2.33 1.02 -0.13 -4.75 120.64 114.87 1j0q n GLU 38 Ca -0.01 -1.06 -0.28 0.00 -0.02 0.00 0.00 57.16 55.79 1j0q n GLU 38 Cb 0.04 -2.06 -0.17 0.00 -0.02 0.00 0.00 31.44 29.23 1j0q n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1j0q s HIS 39 N 1.46 1.71 0.32 -0.32 2.46 -0.62 -4.93 115.29 115.37 1j0q s HIS 39 Ca 0.59 -0.96 0.08 0.00 0.47 0.00 0.00 55.06 55.23 1j0q s HIS 39 Cb 0.26 -1.34 0.79 0.00 -0.13 0.00 0.00 32.58 32.16 1j0q s HIS 39 CO -0.01 -0.58 1.78 -1.35 -2.47 0.00 0.00 174.74 172.11 1j0q h PRO 40 N 8.13 0.69 0.00 2.88 0.11 -1.91 0.22 132.00 142.11 1j0q h PRO 40 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1j0q h PRO 40 Cb 1.12 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1j0q h PRO 40 CO 0.43 0.46 0.00 0.78 -0.21 0.00 0.00 178.00 179.46 1j0q h GLY 41 N 0.71 0.00 -0.44 -0.55 0.00 -1.96 -3.49 103.07 97.34 1j0q h GLY 41 Ca 0.57 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.95 1j0q h GLY 41 CO -0.36 0.00 -0.10 0.61 0.00 0.00 0.00 176.54 176.68 1j0q n GLY 42 N -0.48 -1.81 0.08 4.60 0.00 0.76 -4.21 105.19 104.14 1j0q n GLY 42 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.18 0.13 -0.49 1.61 4.81 -1.82 -3.31 114.58 115.32 1j0q h GLU 43 Ca -0.01 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1j0q h GLU 43 Cb 0.18 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.46 1j0q h GLU 43 CO 0.00 0.50 -0.43 0.93 -0.73 0.00 0.00 179.01 179.28 1j0q h GLU 44 N -0.24 -0.27 -0.42 1.92 5.08 -1.92 0.15 114.58 118.89 1j0q h GLU 44 Ca 0.01 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1j0q h GLU 44 Cb 0.46 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1j0q h GLU 44 CO 0.01 -0.18 0.25 -0.24 -1.00 0.00 0.00 179.01 177.85 1j0q h VAL 45 N -0.28 1.12 0.07 3.13 3.04 -1.73 0.51 116.25 122.11 1j0q h VAL 45 Ca 0.16 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1j0q h VAL 45 Cb 0.57 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 1j0q h VAL 45 CO -0.63 0.12 -0.03 -0.07 -1.01 0.00 0.00 177.57 175.95 1j0q h LEU 46 N 0.57 -0.08 -0.82 3.16 3.38 -1.08 -3.34 115.31 117.10 1j0q h LEU 46 Ca 0.15 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1j0q h LEU 46 Cb -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1j0q h LEU 46 CO -0.03 0.27 -0.53 0.03 0.09 0.00 0.00 178.44 178.27 1j0q h ARG 47 N -0.44 0.16 -1.71 1.13 3.08 0.25 0.34 114.38 117.19 1j0q h ARG 47 Ca -0.01 -0.10 0.51 0.00 0.07 0.00 0.00 59.98 60.45 1j0q h ARG 47 Cb 0.38 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 1j0q h ARG 47 CO 0.02 0.65 1.20 1.49 -1.07 0.00 0.00 179.97 182.26 1j0q h GLU 48 N 0.13 0.02 0.00 0.04 4.57 -1.06 -2.62 114.58 115.66 1j0q h GLU 48 Ca 0.00 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1j0q h GLU 48 Cb 0.98 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 1j0q h GLU 48 CO 0.08 0.01 -1.52 1.04 -1.18 0.00 0.00 179.01 177.44 1j0q n GLN 49 N -4.18 2.37 -1.59 1.92 1.13 0.32 -5.03 117.38 112.31 1j0q n GLN 49 Ca 0.41 -0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 55.06 1j0q n GLN 49 Cb 1.78 -1.20 0.04 0.00 0.11 0.00 0.00 30.24 30.96 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j0q n ALA 50 N -2.22 -0.03 -3.74 -1.58 0.00 0.92 -1.48 120.51 112.37 1j0q n ALA 50 Ca -0.11 0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 1j0q n ALA 50 Cb 0.68 -2.05 0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 1.33 -0.32 0.00 0.00 0.00 0.11 -4.84 105.19 101.47 1j0q n GLY 51 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.61 0.64 3.76 -0.02 0.00 -0.55 -4.21 105.19 103.20 1j0q n GLY 52 Ca -0.25 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.55 6.96 -0.02 1.61 2.15 -1.26 -1.18 116.67 124.39 1j0q s ASP 53 Ca 0.00 2.47 0.03 0.00 0.43 0.00 0.00 52.55 55.48 1j0q s ASP 53 Cb 0.00 -2.63 0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1j0q s ASP 53 CO 0.00 -0.42 1.02 0.00 -0.17 0.00 0.00 175.17 175.61 1j0q n ALA 54 N 1.48 2.04 0.43 3.66 0.00 0.24 -4.78 120.51 123.57 1j0q n ALA 54 Ca 0.02 -1.24 -0.18 0.00 0.00 0.00 0.00 53.44 52.03 1j0q n ALA 54 Cb 0.43 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 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 5.96 0.00 0.31 0.00 2.02 -1.76 0.51 112.91 119.94 1j0q h THR 55 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1j0q h THR 55 Cb 1.34 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1j0q h THR 55 CO 0.00 0.00 -0.22 -0.08 0.37 0.00 0.00 175.52 175.59 1j0q h GLU 56 N -1.12 -0.51 -0.60 6.66 4.81 -1.93 -1.51 114.58 120.37 1j0q h GLU 56 Ca -0.11 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1j0q h GLU 56 Cb 0.88 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.28 1j0q h GLU 56 CO 0.15 -0.34 0.05 -0.97 -0.73 0.00 0.00 179.01 177.17 1j0q h ASN 57 N -0.53 -0.17 0.57 1.04 -0.73 -1.92 0.18 115.58 114.01 1j0q h ASN 57 Ca -0.03 0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.26 1j0q h ASN 57 Cb 0.46 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 1j0q h ASN 57 CO 0.01 -0.07 -0.39 0.15 -0.37 0.00 0.00 177.43 176.76 1j0q h PHE 58 N 0.16 -1.03 0.19 0.67 3.57 -0.60 -2.52 116.94 117.38 1j0q h PHE 58 Ca 0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1j0q h PHE 58 Cb 0.50 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1j0q h PHE 58 CO -0.32 -0.57 -0.09 0.93 -2.23 0.00 0.00 178.31 176.03 1j0q h GLU 59 N -0.92 -0.24 -0.81 1.11 4.39 -0.44 -2.92 114.58 114.76 1j0q h GLU 59 Ca -0.07 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.77 1j0q h GLU 59 Cb 0.76 0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 29.34 1j0q h GLU 59 CO 0.04 -0.05 -0.34 -3.47 -1.16 0.00 0.00 179.01 174.03 1j0q n ASP 60 N -5.14 -0.57 0.00 1.42 2.03 0.54 -0.29 116.55 114.54 1j0q n ASP 60 Ca -0.09 1.42 0.05 0.00 0.52 0.00 0.00 54.79 56.68 1j0q n ASP 60 Cb 0.17 -0.31 0.24 0.00 -0.72 0.00 0.00 41.12 40.51 1j0q n ASP 60 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1j0q n HIS 61 N -5.17 0.00 -3.15 -0.67 8.25 -0.95 -4.85 115.22 108.68 1j0q n HIS 61 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1j0q n HIS 61 Cb 0.31 -0.26 0.05 0.00 1.12 0.00 0.00 29.99 31.21 1j0q n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j0q n GLY 62 N -0.48 -0.00 3.72 -1.41 0.00 0.60 -4.94 105.19 102.67 1j0q n GLY 62 Ca 0.05 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.92 2.65 -1.04 1.61 8.25 -1.25 -4.94 115.22 116.58 1j0q n HIS 63 Ca -0.02 0.29 -0.32 0.00 -0.26 0.00 0.00 57.72 57.41 1j0q n HIS 63 Cb 0.55 -2.56 0.13 0.00 1.12 0.00 0.00 29.99 29.23 1j0q n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1j0q s SER 64 N 0.47 3.61 0.23 0.41 0.01 -1.26 -4.69 113.70 112.47 1j0q s SER 64 Ca 0.66 2.20 -0.11 0.00 1.31 0.00 0.00 55.95 60.01 1j0q s SER 64 Cb -0.54 -2.57 0.32 0.00 0.21 0.00 0.00 66.02 63.44 1j0q s SER 64 CO 0.48 -2.65 1.38 0.35 0.41 0.00 0.00 173.24 173.22 1j0q n THR 65 N -3.59 -0.42 -0.20 1.44 -2.24 -1.26 -0.99 114.28 107.03 1j0q n THR 65 Ca 0.12 2.06 -0.08 0.00 -2.27 0.00 0.00 64.05 63.88 1j0q n THR 65 Cb 0.52 -2.79 0.02 0.00 -2.10 0.00 0.00 70.33 65.98 1j0q n THR 65 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1j0q h ASP 66 N 0.00 0.76 -0.38 3.42 5.19 -1.98 0.27 116.42 123.70 1j0q h ASP 66 Ca 0.38 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1j0q h ASP 66 Cb 0.60 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 1j0q h ASP 66 CO -0.90 0.72 0.14 0.00 -3.12 0.00 0.00 179.24 176.07 1j0q h ALA 67 N 1.07 0.49 -0.36 3.45 0.00 -1.50 0.39 119.26 122.81 1j0q h ALA 67 Ca 0.19 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1j0q h ALA 67 Cb 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1j0q h ALA 67 CO -0.02 0.11 0.11 -0.09 0.00 0.00 0.00 179.25 179.36 1j0q h ARG 68 N 0.46 0.24 -0.35 0.00 2.43 -0.31 0.64 114.38 117.49 1j0q h ARG 68 Ca 0.12 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1j0q h ARG 68 Cb 0.22 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1j0q h ARG 68 CO -0.01 0.16 0.02 1.49 -1.51 0.00 0.00 179.97 180.12 1j0q h GLU 69 N 0.25 0.12 -0.67 0.20 4.57 -0.21 -0.59 114.58 118.24 1j0q h GLU 69 Ca 0.17 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.47 1j0q h GLU 69 Cb 0.16 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.63 1j0q h GLU 69 CO -0.19 0.08 0.21 -0.07 -1.18 0.00 0.00 179.01 177.86 1j0q h LEU 70 N 0.13 0.13 -0.83 1.64 -0.00 -0.06 -0.50 115.31 115.81 1j0q h LEU 70 Ca 0.17 0.11 0.10 0.00 -0.00 0.00 0.00 57.88 58.26 1j0q h LEU 70 Cb 0.22 0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 40.93 1j0q h LEU 70 CO -0.26 0.05 0.48 0.28 -0.00 0.00 0.00 178.44 178.99 1j0q h SER 71 N 0.34 0.67 0.20 -0.43 0.02 0.65 0.97 113.55 115.98 1j0q h SER 71 Ca 0.36 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1j0q h SER 71 Cb 0.54 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1j0q h SER 71 CO -0.41 0.37 -0.31 0.11 -1.14 0.00 0.00 176.83 175.46 1j0q h LYS 72 N 0.78 -0.56 0.00 3.45 1.57 -0.37 -1.50 116.57 119.94 1j0q h LYS 72 Ca 0.41 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 1j0q h LYS 72 Cb 0.40 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1j0q h LYS 72 CO -0.26 -0.37 -0.15 0.00 -0.57 0.00 0.00 179.45 178.09 1j0q h THR 73 N -0.58 0.75 0.00 -0.16 1.03 -0.95 -0.78 112.91 112.21 1j0q h THR 73 Ca 0.01 -0.62 0.00 0.00 -0.01 0.00 0.00 66.41 65.79 1j0q h THR 73 Cb 0.57 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.03 1j0q h THR 73 CO -0.13 0.15 0.00 0.49 -0.01 0.00 0.00 175.52 176.02 1j0q n PHE 74 N -3.82 0.72 -1.68 0.00 3.72 0.26 -4.80 117.46 111.84 1j0q n PHE 74 Ca -0.02 0.26 -0.45 0.00 -0.05 0.00 0.00 57.45 57.19 1j0q n PHE 74 Cb 0.25 -0.92 -0.04 0.00 -0.94 0.00 0.00 39.48 37.84 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 -2.13 0.15 0.00 4.37 5.41 -0.30 -2.07 119.36 124.78 1j0q n ILE 75 Ca 0.03 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1j0q n ILE 75 Cb 0.28 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 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 4.00 0.00 -0.80 1.39 -5.35 -0.40 -4.94 119.36 113.27 1j0q n ILE 76 Ca 0.18 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1j0q n ILE 76 Cb 0.32 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 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 0.80 -1.73 3.23 3.28 0.00 -1.22 -4.94 105.19 104.60 1j0q n GLY 77 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.73 0.77 -0.27 1.61 2.02 -1.26 -0.68 118.70 119.16 1j0q s GLU 78 Ca 0.00 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 1j0q s GLU 78 Cb 0.00 0.33 -0.00 0.00 0.10 0.00 0.00 34.13 34.56 1j0q s GLU 78 CO 0.00 -0.24 1.34 -1.17 0.02 0.00 0.00 175.26 175.21 1j0q s LEU 79 N -2.00 3.92 -0.21 1.80 0.20 0.29 -0.44 118.68 122.25 1j0q s LEU 79 Ca -0.06 1.33 -0.29 0.00 0.69 0.00 0.00 54.13 55.81 1j0q s LEU 79 Cb -0.01 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.17 1j0q s LEU 79 CO -0.03 -1.06 1.92 -2.28 -0.29 0.00 0.00 176.35 174.61 1j0q s HIS 80 N 4.37 1.59 -0.45 5.38 5.65 0.21 -4.86 115.29 127.18 1j0q s HIS 80 Ca 0.58 0.42 0.06 0.00 0.25 0.00 0.00 55.06 56.37 1j0q s HIS 80 Cb -0.18 -4.04 0.32 0.00 -1.18 0.00 0.00 32.58 27.50 1j0q s HIS 80 CO 0.23 -3.71 1.06 -2.30 -0.65 0.00 0.00 174.74 169.38 1j0q n PRO 81 N 8.21 0.04 -0.34 2.88 -0.02 -1.26 -0.46 135.00 144.04 1j0q n PRO 81 Ca 0.24 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1j0q n PRO 81 Cb 0.45 -1.80 0.33 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.77 0.00 2.55 3.58 -2.00 -3.32 116.42 117.99 1j0q h ASP 82 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1j0q h ASP 82 Cb 0.34 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1j0q h ASP 82 CO 0.00 0.30 0.00 -0.67 -2.88 0.00 0.00 179.24 175.99 1j0q n ASP 83 N -4.71 0.00 0.00 2.28 2.03 0.39 -5.20 116.55 111.33 1j0q n ASP 83 Ca 0.22 0.36 0.13 0.00 0.52 0.00 0.00 54.79 56.02 1j0q n ASP 83 Cb 0.55 0.00 0.79 0.00 -0.72 0.00 0.00 41.12 41.74 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17