#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 -0.09 0.00 0.31 -1.26 -5.05 118.33 112.24 1j0q n VAL 4 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1j0q n VAL 4 Cb 0.00 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.29 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 -0.91 0.39 -0.60 5.55 0.00 -1.26 -5.14 118.16 116.19 1j0q n LYS 5 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 58.31 58.51 1j0q n LYS 5 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 35.03 33.85 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1j0q n TYR 6 N -3.81 -1.63 -3.59 5.64 4.01 -1.26 -5.03 117.16 111.49 1j0q n TYR 6 Ca -0.36 0.89 -0.24 0.00 -0.16 0.00 0.00 57.90 58.02 1j0q n TYR 6 Cb 0.76 -1.58 -0.16 0.00 -0.31 0.00 0.00 39.34 38.05 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 -4.07 0.10 0.56 -0.72 2.02 -0.90 -4.93 117.35 109.43 1j0q s TYR 7 Ca 0.00 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.36 1j0q s TYR 7 Cb 0.00 -0.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.88 1j0q s TYR 7 CO 0.00 -0.52 1.01 0.95 -1.57 0.00 0.00 175.55 175.42 1j0q s THR 8 N 2.17 4.53 0.34 -0.71 -4.23 -1.26 -0.67 115.64 115.81 1j0q s THR 8 Ca 0.03 1.06 0.07 0.00 -1.18 0.00 0.00 61.69 61.66 1j0q s THR 8 Cb -0.16 -3.74 0.31 0.00 1.34 0.00 0.00 72.50 70.25 1j0q s THR 8 CO -0.09 -0.85 1.87 0.25 -0.54 0.00 0.00 174.62 175.26 1j0q h LEU 9 N 0.39 0.72 -0.71 4.79 6.46 -1.94 0.14 115.31 125.17 1j0q h LEU 9 Ca -0.46 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.41 1j0q h LEU 9 Cb 1.19 -0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.91 1j0q h LEU 9 CO 0.61 0.38 -0.57 -0.08 -0.62 0.00 0.00 178.44 178.16 1j0q h GLU 10 N 0.77 -0.19 -0.00 1.25 4.57 -2.01 0.73 114.58 119.70 1j0q h GLU 10 Ca 0.44 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.64 1j0q h GLU 10 Cb 0.61 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1j0q h GLU 10 CO -0.21 -0.13 0.00 0.93 -1.18 0.00 0.00 179.01 178.43 1j0q h GLU 11 N -0.20 0.01 -0.69 1.92 5.08 -1.51 -3.17 114.58 116.02 1j0q h GLU 11 Ca 0.12 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1j0q h GLU 11 Cb 0.50 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1j0q h GLU 11 CO -0.77 0.06 0.32 0.82 -1.00 0.00 0.00 179.01 178.44 1j0q h ILE 12 N -0.04 1.23 0.04 3.13 2.04 0.38 0.36 117.51 124.64 1j0q h ILE 12 Ca 0.00 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1j0q h ILE 12 Cb 0.05 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1j0q h ILE 12 CO -0.00 0.27 -0.14 1.56 0.00 0.00 0.00 178.15 179.84 1j0q h GLN 13 N 0.96 -0.25 -0.53 2.37 4.20 -0.97 -2.72 115.11 118.18 1j0q h GLN 13 Ca 0.24 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.07 1j0q h GLN 13 Cb 0.13 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.87 1j0q h GLN 13 CO -0.03 -0.16 -0.08 -0.22 -0.67 0.00 0.00 178.83 177.67 1j0q h LYS 14 N -0.26 0.04 -4.38 1.46 1.63 -1.30 -3.12 116.57 110.64 1j0q h LYS 14 Ca 0.04 -0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.17 1j0q h LYS 14 Cb 0.30 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1j0q h LYS 14 CO -0.11 0.03 2.54 0.72 -3.45 0.00 0.00 179.45 179.18 1j0q n HIS 15 N -5.33 2.53 -2.05 1.91 8.25 0.03 -3.54 115.22 117.03 1j0q n HIS 15 Ca 0.06 -2.22 -0.01 0.00 -0.26 0.00 0.00 57.72 55.29 1j0q n HIS 15 Cb 0.29 -2.05 -0.01 0.00 1.12 0.00 0.00 29.99 29.34 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 7.28 -0.04 -2.15 0.41 0.23 -1.03 -0.70 115.26 119.25 1j0q n ASN 16 Ca 0.50 -1.54 -0.01 0.00 -0.53 0.00 0.00 54.58 53.00 1j0q n ASN 16 Cb 0.40 -0.05 0.05 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.05 1.83 -1.65 0.53 6.94 -1.23 -4.95 115.26 116.78 1j0q n ASN 17 Ca -0.03 -2.38 -0.04 0.00 -0.02 0.00 0.00 54.58 52.11 1j0q n ASN 17 Cb 0.65 -0.41 0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1j0q n SER 18 N -0.32 -2.34 0.16 0.53 2.88 -1.26 -4.93 113.62 108.34 1j0q n SER 18 Ca 0.12 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1j0q n SER 18 Cb 0.92 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 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 -1.75 0.00 -3.57 -1.46 4.76 -1.26 -5.11 118.16 109.78 1j0q n LYS 19 Ca -0.05 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.31 1j0q n LYS 19 Cb 0.53 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.70 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1j0q s SER 20 N -4.16 -0.38 -0.31 4.39 0.01 -1.26 -5.09 113.70 106.90 1j0q s SER 20 Ca 0.00 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1j0q s SER 20 Cb 0.00 0.51 0.08 0.00 0.21 0.00 0.00 66.02 66.82 1j0q s SER 20 CO 0.00 -0.86 -0.01 -0.89 0.41 0.00 0.00 173.24 171.89 1j0q s THR 21 N -3.43 2.32 0.07 1.44 2.01 -1.26 -2.47 115.64 114.33 1j0q s THR 21 Ca 0.06 -1.98 0.03 0.00 0.31 0.00 0.00 61.69 60.10 1j0q s THR 21 Cb -0.02 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1j0q s THR 21 CO -0.06 -0.34 0.07 0.26 -0.69 0.00 0.00 174.62 173.86 1j0q s TRP 22 N 1.02 3.17 0.12 4.92 0.52 0.12 -1.49 118.94 127.31 1j0q s TRP 22 Ca 0.02 0.08 -0.12 0.00 0.02 0.00 0.00 56.10 56.10 1j0q s TRP 22 Cb -0.20 -1.62 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1j0q s TRP 22 CO -0.06 0.52 0.29 -0.48 0.02 0.00 0.00 176.95 177.23 1j0q s LEU 23 N -2.29 0.95 -0.24 2.99 0.05 -0.06 0.10 118.68 120.19 1j0q s LEU 23 Ca 0.28 -0.57 -0.11 0.00 0.05 0.00 0.00 54.13 53.78 1j0q s LEU 23 Cb -0.12 1.38 -0.05 0.00 -2.05 0.00 0.00 46.19 45.35 1j0q s LEU 23 CO 0.20 -0.81 0.17 -0.63 -0.55 0.00 0.00 176.35 174.74 1j0q s ILE 24 N -3.86 5.35 -0.36 1.48 1.01 -0.81 -0.61 121.20 123.40 1j0q s ILE 24 Ca 0.06 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1j0q s ILE 24 Cb 0.03 -3.51 0.11 0.00 0.01 0.00 0.00 42.46 39.10 1j0q s ILE 24 CO -0.09 0.34 0.14 -0.76 0.00 0.00 0.00 174.94 174.57 1j0q s LEU 25 N 1.06 2.63 -0.79 2.97 1.02 -0.93 -0.59 118.68 124.04 1j0q s LEU 25 Ca 0.08 -2.04 -0.00 0.00 0.02 0.00 0.00 54.13 52.19 1j0q s LEU 25 Cb -0.14 -0.99 -0.01 0.00 0.02 0.00 0.00 46.19 45.08 1j0q s LEU 25 CO 0.05 -0.36 0.66 1.41 0.02 0.00 0.00 176.35 178.12 1j0q n HIS 26 N 4.33 -1.48 0.00 0.29 8.25 -1.26 -4.01 115.22 121.34 1j0q n HIS 26 Ca 0.02 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1j0q n HIS 26 Cb 0.39 -4.00 0.00 0.00 1.12 0.00 0.00 29.99 27.50 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 -3.03 0.00 -0.80 4.41 9.36 -1.26 -4.92 117.16 120.92 1j0q n TYR 27 Ca -0.18 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.72 1j0q n TYR 27 Cb 0.61 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 39.47 1j0q n TYR 27 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1j0q n LYS 28 N 0.00 -0.27 -5.27 2.98 4.76 -1.26 -1.24 118.16 117.85 1j0q n LYS 28 Ca 0.00 -0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.12 1j0q n LYS 28 Cb 0.00 -2.31 -0.16 0.00 -1.84 0.00 0.00 35.03 30.72 1j0q n LYS 28 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1j0q s VAL 29 N -2.47 2.09 -0.16 -0.18 1.01 0.15 -2.20 120.40 118.65 1j0q s VAL 29 Ca 0.67 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1j0q s VAL 29 Cb -0.24 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1j0q s VAL 29 CO 0.58 0.58 -0.03 -0.31 0.00 0.00 0.00 175.10 175.91 1j0q s TYR 30 N -0.41 1.42 -0.16 5.22 1.51 0.22 -0.84 117.35 124.31 1j0q s TYR 30 Ca 0.04 -0.91 -0.13 0.00 -1.01 0.00 0.00 57.07 55.07 1j0q s TYR 30 Cb -0.12 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 1j0q s TYR 30 CO 0.01 -0.57 0.26 0.34 -1.11 0.00 0.00 175.55 174.48 1j0q s ASP 31 N 1.73 6.40 -0.02 2.29 -1.08 -0.57 -0.88 116.67 124.53 1j0q s ASP 31 Ca 0.01 0.46 -0.03 0.00 -0.52 0.00 0.00 52.55 52.47 1j0q s ASP 31 Cb -0.15 -2.16 -0.02 0.00 -1.46 0.00 0.00 42.92 39.13 1j0q s ASP 31 CO -0.07 0.13 -0.07 0.18 0.52 0.00 0.00 175.17 175.86 1j0q n LEU 32 N 3.46 0.72 0.00 -1.34 4.77 -0.56 -4.70 117.00 119.35 1j0q n LEU 32 Ca -0.13 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1j0q n LEU 32 Cb 0.52 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1j0q n LEU 32 CO 0.39 -0.18 0.00 0.41 -1.33 0.00 0.00 177.39 176.68 1j0q n THR 33 N -3.41 0.00 -0.08 -5.08 -1.04 -1.25 -0.73 114.28 102.70 1j0q n THR 33 Ca -0.08 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.11 1j0q n THR 33 Cb 0.40 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.50 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 0.21 0.00 -2.82 3.11 -1.96 -0.71 116.57 114.39 1j0q h LYS 34 Ca 0.00 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 1j0q h LYS 34 Cb 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 1j0q h LYS 34 CO 0.00 0.14 -0.17 0.35 -2.81 0.00 0.00 179.45 176.95 1j0q h PHE 35 N 0.22 0.00 -1.00 1.91 3.57 -1.33 -2.60 116.94 117.70 1j0q h PHE 35 Ca 0.30 0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.00 1j0q h PHE 35 Cb 0.90 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.53 1j0q h PHE 35 CO -0.00 0.17 0.61 -0.07 -2.23 0.00 0.00 178.31 176.80 1j0q h LEU 36 N 0.00 0.74 -0.31 0.59 3.38 -1.33 0.34 115.31 118.71 1j0q h LEU 36 Ca -0.00 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1j0q h LEU 36 Cb 0.43 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1j0q h LEU 36 CO 0.02 0.24 0.13 -0.08 0.09 0.00 0.00 178.44 178.85 1j0q h GLU 37 N 0.71 0.27 0.23 1.13 4.81 -1.63 -3.26 114.58 116.84 1j0q h GLU 37 Ca 0.58 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 59.47 1j0q h GLU 37 Cb 0.98 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 30.33 1j0q h GLU 37 CO -0.37 0.18 -1.45 1.49 -0.73 0.00 0.00 179.01 178.13 1j0q h GLU 38 N 0.28 0.49 -6.27 1.92 4.81 -0.64 -3.47 114.58 111.70 1j0q h GLU 38 Ca 0.13 -0.83 -0.60 0.00 -0.13 0.00 0.00 59.36 57.93 1j0q h GLU 38 Cb 0.08 0.31 0.02 0.00 0.63 0.00 0.00 28.75 29.78 1j0q h GLU 38 CO -0.12 1.40 1.16 1.58 -0.73 0.00 0.00 179.01 182.30 1j0q n HIS 39 N -3.68 2.34 -0.27 0.92 -0.00 0.82 -4.89 115.22 110.46 1j0q n HIS 39 Ca -0.15 -0.10 0.17 0.00 0.46 0.00 0.00 57.72 58.10 1j0q n HIS 39 Cb 1.09 -2.70 0.45 0.00 -0.12 0.00 0.00 29.99 28.72 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 9.89 0.50 0.00 1.57 0.11 -1.90 0.12 132.00 142.29 1j0q h PRO 40 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1j0q h PRO 40 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1j0q h PRO 40 CO 0.95 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.48 1j0q n GLY 41 N -1.47 -0.91 0.00 -0.55 0.00 -1.26 -5.00 105.19 96.00 1j0q n GLY 41 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.53 -1.30 0.00 -0.02 0.00 0.43 -4.65 105.19 99.12 1j0q n GLY 42 Ca 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0q n GLU 43 N -1.53 0.00 -0.02 1.61 0.00 -1.23 -4.05 120.64 115.42 1j0q n GLU 43 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 57.16 57.63 1j0q n GLU 43 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 31.44 30.40 1j0q n GLU 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1j0q n GLU 44 N -1.94 -0.02 -0.21 5.31 1.02 -1.26 0.59 120.64 124.13 1j0q n GLU 44 Ca 0.00 0.16 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 1j0q n GLU 44 Cb 0.00 -0.24 0.10 0.00 -0.02 0.00 0.00 31.44 31.28 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1j0q h VAL 45 N 0.00 1.25 -0.57 2.62 3.04 -1.82 0.27 116.25 121.04 1j0q h VAL 45 Ca 0.01 -0.92 -0.04 0.00 -1.01 0.00 0.00 66.70 64.74 1j0q h VAL 45 Cb 0.02 0.58 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 1j0q h VAL 45 CO -0.05 0.35 0.21 0.25 -1.01 0.00 0.00 177.57 177.32 1j0q h LEU 46 N 0.98 0.80 -0.59 3.16 5.85 0.01 -2.38 115.31 123.14 1j0q h LEU 46 Ca 0.21 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1j0q h LEU 46 Cb 0.35 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1j0q h LEU 46 CO 0.00 0.77 0.12 -0.09 -0.34 0.00 0.00 178.44 178.91 1j0q h ARG 47 N 0.79 0.95 -0.09 1.25 1.12 0.09 0.61 114.38 119.10 1j0q h ARG 47 Ca 0.19 -0.24 0.04 0.00 -1.11 0.00 0.00 59.98 58.85 1j0q h ARG 47 Cb 0.23 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.03 1j0q h ARG 47 CO -0.01 0.89 -0.16 1.49 -3.11 0.00 0.00 179.97 179.07 1j0q h GLU 48 N 0.86 -0.21 -0.40 0.20 4.81 -0.32 -2.56 114.58 116.95 1j0q h GLU 48 Ca 0.18 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1j0q h GLU 48 Cb 0.38 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1j0q h GLU 48 CO 0.01 -0.14 -0.24 1.96 -0.73 0.00 0.00 179.01 179.86 1j0q h GLN 49 N -0.22 0.83 -6.86 1.92 1.08 -1.26 -3.46 115.11 107.14 1j0q h GLN 49 Ca 0.08 -0.35 -0.57 0.00 -1.45 0.00 0.00 58.65 56.36 1j0q h GLN 49 Cb 0.34 -0.03 0.16 0.00 -0.05 0.00 0.00 27.48 27.90 1j0q h GLN 49 CO -0.22 0.98 0.19 0.00 -0.95 0.00 0.00 178.83 178.83 1j0q n ALA 50 N -2.51 0.36 -3.50 3.87 0.00 0.19 -2.51 120.51 116.41 1j0q n ALA 50 Ca -0.00 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1j0q n ALA 50 Cb 0.45 -2.14 0.07 0.00 0.00 0.00 0.00 19.45 17.83 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 1.21 -0.44 0.00 0.00 0.00 0.11 -4.82 105.19 101.26 1j0q n GLY 51 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.29 0.75 3.77 -0.02 0.00 -1.04 -4.32 105.19 103.04 1j0q n GLY 52 Ca -0.27 -0.81 -0.37 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 -0.58 6.04 -0.00 1.61 2.15 -1.26 -1.93 116.67 122.70 1j0q s ASP 53 Ca 0.00 2.40 0.03 0.00 0.43 0.00 0.00 52.55 55.40 1j0q s ASP 53 Cb 0.00 -2.61 0.04 0.00 -0.30 0.00 0.00 42.92 40.05 1j0q s ASP 53 CO 0.00 -1.01 1.02 0.00 -0.17 0.00 0.00 175.17 175.01 1j0q n ALA 54 N -0.52 2.04 0.23 3.66 0.00 0.24 -4.74 120.51 121.41 1j0q n ALA 54 Ca 0.07 -1.13 -0.15 0.00 0.00 0.00 0.00 53.44 52.23 1j0q n ALA 54 Cb 0.47 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 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 6.97 0.61 0.17 0.00 2.02 -1.70 0.10 112.91 121.07 1j0q h THR 55 Ca -0.02 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1j0q h THR 55 Cb 1.44 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1j0q h THR 55 CO 0.01 0.02 -0.08 -0.33 0.37 0.00 0.00 175.52 175.51 1j0q h GLU 56 N -0.59 -0.21 -0.67 6.66 5.08 -1.93 -1.03 114.58 121.89 1j0q h GLU 56 Ca -0.05 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1j0q h GLU 56 Cb 0.44 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1j0q h GLU 56 CO 0.09 -0.14 0.39 -0.97 -1.00 0.00 0.00 179.01 177.37 1j0q h ASN 57 N -0.22 0.59 0.26 1.42 -0.73 -1.91 0.17 115.58 115.16 1j0q h ASN 57 Ca -0.02 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1j0q h ASN 57 Cb 0.17 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1j0q h ASN 57 CO 0.04 0.39 -0.17 0.15 -0.37 0.00 0.00 177.43 177.46 1j0q h PHE 58 N 0.72 -0.45 -0.07 0.67 3.57 -0.52 -1.56 116.94 119.30 1j0q h PHE 58 Ca 0.29 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1j0q h PHE 58 Cb 0.15 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1j0q h PHE 58 CO -0.07 -0.27 0.04 1.49 -2.23 0.00 0.00 178.31 177.27 1j0q h GLU 59 N -0.43 0.10 -0.55 1.11 4.57 -0.74 -2.83 114.58 115.82 1j0q h GLU 59 Ca -0.02 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.25 1j0q h GLU 59 Cb 0.36 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.82 1j0q h GLU 59 CO 0.01 0.13 -0.27 0.22 -1.18 0.00 0.00 179.01 177.93 1j0q h ASP 60 N 0.04 -0.94 0.00 1.04 1.82 -0.68 0.29 116.42 117.99 1j0q h ASP 60 Ca 0.03 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1j0q h ASP 60 Cb 0.06 0.49 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1j0q h ASP 60 CO -0.00 -0.28 0.00 1.41 -1.61 0.00 0.00 179.24 178.76 1j0q n HIS 61 N -5.43 0.00 0.00 0.28 8.25 -0.59 -4.92 115.22 112.81 1j0q n HIS 61 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1j0q n HIS 61 Cb 0.34 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 0.23 1.46 1.53 -1.41 0.00 0.10 -4.90 105.19 102.19 1j0q n GLY 62 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -4.22 -1.48 1.61 8.25 -1.26 -4.62 115.22 113.51 1j0q n HIS 63 Ca 0.00 2.25 -0.31 0.00 -0.26 0.00 0.00 57.72 59.40 1j0q n HIS 63 Cb 0.00 -3.43 0.06 0.00 1.12 0.00 0.00 29.99 27.75 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 -3.46 5.07 0.44 0.41 0.15 -1.26 -4.85 113.70 110.19 1j0q s SER 64 Ca 0.00 1.66 0.26 0.00 0.70 0.00 0.00 55.95 58.56 1j0q s SER 64 Cb 0.00 -2.48 1.29 0.00 -1.71 0.00 0.00 66.02 63.13 1j0q s SER 64 CO 0.00 -1.65 1.73 0.71 1.20 0.00 0.00 173.24 175.23 1j0q h THR 65 N -0.86 0.38 0.07 6.45 1.35 -1.98 0.16 112.91 118.48 1j0q h THR 65 Ca -0.44 -0.08 -0.24 0.00 -0.55 0.00 0.00 66.41 65.10 1j0q h THR 65 Cb 1.22 0.13 0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1j0q h THR 65 CO 0.55 0.04 -0.97 0.44 -0.25 0.00 0.00 175.52 175.33 1j0q h ASP 66 N 0.23 0.73 -0.59 5.36 5.19 -1.98 0.26 116.42 125.62 1j0q h ASP 66 Ca 0.66 -0.81 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1j0q h ASP 66 Cb 2.00 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 41.25 1j0q h ASP 66 CO -0.27 1.46 0.33 0.00 -3.12 0.00 0.00 179.24 177.65 1j0q h ALA 67 N 0.28 0.76 0.25 3.45 0.00 -1.73 0.10 119.26 122.37 1j0q h ALA 67 Ca -0.14 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1j0q h ALA 67 Cb 1.68 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1j0q h ALA 67 CO 0.19 0.27 -0.37 0.00 0.00 0.00 0.00 179.25 179.34 1j0q h ARG 68 N 0.80 -0.66 -0.60 0.00 3.08 -0.80 0.16 114.38 116.36 1j0q h ARG 68 Ca 0.21 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.41 1j0q h ARG 68 Cb 0.03 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.11 1j0q h ARG 68 CO -0.04 -0.44 -0.34 0.93 -1.07 0.00 0.00 179.97 179.02 1j0q h GLU 69 N -0.68 -0.15 -0.82 0.04 4.39 -0.29 0.14 114.58 117.20 1j0q h GLU 69 Ca -0.00 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.90 1j0q h GLU 69 Cb 0.66 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.22 1j0q h GLU 69 CO -0.14 -0.10 0.25 -0.07 -1.16 0.00 0.00 179.01 177.79 1j0q h LEU 70 N -0.16 0.09 -0.94 1.33 -0.00 -0.38 0.15 115.31 115.40 1j0q h LEU 70 Ca 0.23 0.16 0.07 0.00 -0.00 0.00 0.00 57.88 58.34 1j0q h LEU 70 Cb 0.55 0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 41.34 1j0q h LEU 70 CO -0.69 -0.05 0.59 0.28 -0.00 0.00 0.00 178.44 178.57 1j0q h SER 71 N 0.29 0.94 0.17 -0.43 0.02 0.21 -0.28 113.55 114.47 1j0q h SER 71 Ca 0.49 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.47 1j0q h SER 71 Cb 0.89 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1j0q h SER 71 CO -0.55 0.59 -0.38 0.11 -1.14 0.00 0.00 176.83 175.46 1j0q h LYS 72 N 1.07 -0.63 0.00 3.45 1.57 0.11 -1.08 116.57 121.07 1j0q h LYS 72 Ca 0.41 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1j0q h LYS 72 Cb 0.19 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1j0q h LYS 72 CO -0.18 -0.42 -0.10 0.00 -0.57 0.00 0.00 179.45 178.18 1j0q h THR 73 N -0.65 0.92 0.00 -0.16 1.03 -1.03 -0.26 112.91 112.76 1j0q h THR 73 Ca 0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1j0q h THR 73 Cb 0.66 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1j0q h THR 73 CO -0.19 0.10 0.00 0.49 -0.01 0.00 0.00 175.52 175.91 1j0q n PHE 74 N -4.20 0.64 -1.67 0.00 3.72 -0.18 -4.84 117.46 110.93 1j0q n PHE 74 Ca -0.03 0.22 -0.47 0.00 -0.05 0.00 0.00 57.45 57.13 1j0q n PHE 74 Cb 0.18 -0.85 -0.04 0.00 -0.94 0.00 0.00 39.48 37.83 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 -2.05 0.04 0.01 4.37 5.41 -0.11 -1.52 119.36 125.51 1j0q n ILE 75 Ca 0.04 -0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.79 1j0q n ILE 75 Cb 0.31 -1.51 -0.01 0.00 -0.71 0.00 0.00 39.64 37.71 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 3.48 0.00 -3.66 1.39 -5.35 -0.02 -4.90 119.36 110.30 1j0q n ILE 76 Ca 0.17 -0.08 -0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1j0q n ILE 76 Cb 0.28 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 2.28 0.93 3.19 3.28 0.00 -1.12 -4.85 105.19 108.89 1j0q n GLY 77 Ca -0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.01 0.83 0.08 1.61 2.02 -1.26 -0.67 118.70 119.30 1j0q s GLU 78 Ca 0.05 -1.11 -0.32 0.00 0.02 0.00 0.00 54.97 53.62 1j0q s GLU 78 Cb -0.00 0.30 -0.11 0.00 0.10 0.00 0.00 34.13 34.42 1j0q s GLU 78 CO 0.01 -0.24 1.85 -0.11 0.02 0.00 0.00 175.26 176.78 1j0q n LEU 79 N -0.04 3.91 -4.52 1.80 7.94 -0.38 -2.11 117.00 123.61 1j0q n LEU 79 Ca -0.13 0.98 -0.38 0.00 -1.11 0.00 0.00 56.01 55.37 1j0q n LEU 79 Cb 0.62 -1.51 0.04 0.00 0.53 0.00 0.00 43.42 43.11 1j0q n LEU 79 CO 0.25 0.11 0.22 1.57 -1.11 0.00 0.00 177.39 178.43 1j0q n HIS 80 N 5.98 -0.20 0.10 1.96 -0.00 0.16 -4.86 115.22 118.35 1j0q n HIS 80 Ca 0.19 0.44 -0.05 0.00 -0.00 0.00 0.00 57.72 58.30 1j0q n HIS 80 Cb 0.36 -2.01 0.04 0.00 -0.00 0.00 0.00 29.99 28.38 1j0q n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1j0q h PRO 81 N 0.32 0.08 0.00 1.57 0.11 -1.92 -3.16 132.00 129.00 1j0q h PRO 81 Ca -0.46 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1j0q h PRO 81 Cb 1.39 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1j0q h PRO 81 CO 0.48 0.82 0.00 -3.47 -0.21 0.00 0.00 178.00 175.63 1j0q n ASP 82 N -3.65 0.00 0.00 -2.05 2.03 -1.26 -4.40 116.55 107.21 1j0q n ASP 82 Ca -0.02 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.00 1j0q n ASP 82 Cb 0.75 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 -1.12 0.00 0.00 1.67 -0.08 -1.19 -5.17 116.55 110.66 1j0q n ASP 83 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1j0q n ASP 83 Cb 0.09 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86