#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 -0.02 0.00 0.24 -1.26 -5.11 118.33 112.18 1j0q n VAL 4 Ca 0.00 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 61.77 1j0q n VAL 4 Cb 0.00 0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 32.66 1j0q n VAL 4 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1j0q n LYS 5 N -0.16 0.08 -1.55 7.34 4.81 -1.26 -5.14 118.16 122.28 1j0q n LYS 5 Ca 0.00 0.03 0.07 0.00 -0.87 0.00 0.00 58.31 57.55 1j0q n LYS 5 Cb 0.16 -0.63 -0.04 0.00 0.02 0.00 0.00 35.03 34.54 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 -3.18 -4.15 -3.69 5.64 4.02 -1.26 -4.96 117.16 109.58 1j0q n TYR 6 Ca -0.07 2.27 -0.11 0.00 -0.01 0.00 0.00 57.90 59.98 1j0q n TYR 6 Cb 0.54 -3.59 -0.10 0.00 -0.02 0.00 0.00 39.34 36.17 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 -5.02 -0.65 -0.06 -0.72 1.51 0.11 -4.70 117.35 107.82 1j0q s TYR 7 Ca 0.00 1.43 -0.10 0.00 -1.01 0.00 0.00 57.07 57.39 1j0q s TYR 7 Cb 0.00 0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 42.10 1j0q s TYR 7 CO 0.00 -0.34 0.27 0.95 -1.11 0.00 0.00 175.55 175.32 1j0q s THR 8 N 1.02 5.28 0.33 -0.71 -4.23 -1.26 -0.65 115.64 115.41 1j0q s THR 8 Ca -0.06 0.49 0.10 0.00 -1.18 0.00 0.00 61.69 61.04 1j0q s THR 8 Cb -0.06 -3.55 0.34 0.00 1.34 0.00 0.00 72.50 70.57 1j0q s THR 8 CO -0.09 0.59 1.63 0.25 -0.54 0.00 0.00 174.62 176.46 1j0q h LEU 9 N 4.80 0.21 -0.41 4.79 6.46 -1.95 0.21 115.31 129.42 1j0q h LEU 9 Ca -0.53 0.21 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1j0q h LEU 9 Cb 1.22 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 1j0q h LEU 9 CO 0.60 -0.22 -0.24 1.21 -0.62 0.00 0.00 178.44 179.17 1j0q n GLU 10 N -5.19 -0.18 0.06 1.25 4.07 -1.26 -0.29 120.64 119.09 1j0q n GLU 10 Ca 0.29 0.97 -0.13 0.00 -0.06 0.00 0.00 57.16 58.23 1j0q n GLU 10 Cb 0.92 -1.43 -0.08 0.00 -0.06 0.00 0.00 31.44 30.79 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 -0.06 -0.57 5.31 4.39 -1.08 -3.28 114.58 119.29 1j0q h GLU 11 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1j0q h GLU 11 Cb 0.17 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1j0q h GLU 11 CO -0.38 0.03 0.34 0.82 -1.16 0.00 0.00 179.01 178.65 1j0q h ILE 12 N -0.14 1.17 -0.54 3.13 2.04 0.71 -1.47 117.51 122.42 1j0q h ILE 12 Ca -0.01 -0.39 0.11 0.00 1.00 0.00 0.00 64.86 65.57 1j0q h ILE 12 Cb 0.12 0.40 -0.11 0.00 -0.74 0.00 0.00 36.82 36.49 1j0q h ILE 12 CO 0.01 0.18 -0.21 1.56 0.00 0.00 0.00 178.15 179.69 1j0q h GLN 13 N 0.77 -0.08 -0.80 2.37 4.20 -0.73 -1.15 115.11 119.70 1j0q h GLN 13 Ca 0.20 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.98 1j0q h GLN 13 Cb -0.01 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1j0q h GLN 13 CO -0.04 -0.05 0.49 -0.22 -0.67 0.00 0.00 178.83 178.34 1j0q h LYS 14 N -0.08 0.87 -4.15 1.46 1.63 -1.35 -3.18 116.57 111.77 1j0q h LYS 14 Ca 0.25 -0.05 -0.70 0.00 -0.85 0.00 0.00 60.65 59.29 1j0q h LYS 14 Cb 0.47 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1j0q h LYS 14 CO -0.59 0.58 3.02 0.72 -3.45 0.00 0.00 179.45 179.73 1j0q n HIS 15 N -4.66 3.50 -0.28 1.91 8.25 -0.43 -4.18 115.22 119.32 1j0q n HIS 15 Ca 0.11 -2.89 0.00 0.00 -0.26 0.00 0.00 57.72 54.68 1j0q n HIS 15 Cb 0.16 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 28.76 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 6.36 0.94 -0.09 0.41 0.23 -1.20 -0.60 115.26 121.31 1j0q n ASN 16 Ca 0.52 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.34 1j0q n ASN 16 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.11 0.00 -4.60 0.53 5.15 -1.25 -4.80 115.26 110.17 1j0q n ASN 17 Ca 0.00 -0.09 -0.43 0.00 -0.60 0.00 0.00 54.58 53.46 1j0q n ASN 17 Cb 0.15 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.37 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1j0q s SER 18 N 1.21 5.66 0.00 1.20 0.15 -1.26 -2.26 113.70 118.40 1j0q s SER 18 Ca 0.00 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1j0q s SER 18 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1j0q s SER 18 CO 0.00 -1.83 0.00 2.29 1.20 0.00 0.00 173.24 174.90 1j0q n LYS 19 N 8.58 0.00 0.00 5.44 2.85 -1.26 -5.09 118.16 128.68 1j0q n LYS 19 Ca 0.27 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 1j0q n LYS 19 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 1j0q n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1j0q n SER 20 N 0.00 0.00 -4.45 -5.58 7.64 -0.96 -5.11 113.62 105.17 1j0q n SER 20 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1j0q n SER 20 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.80 4.42 -0.09 0.44 2.01 -1.26 -3.48 115.64 115.88 1j0q s THR 21 Ca 0.00 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1j0q s THR 21 Cb 0.00 -4.70 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 1j0q s THR 21 CO 0.00 -1.46 0.23 0.26 -0.69 0.00 0.00 174.62 172.96 1j0q s TRP 22 N 3.75 3.62 0.08 4.92 0.52 0.23 -1.42 118.94 130.64 1j0q s TRP 22 Ca 0.24 0.66 -0.07 0.00 0.02 0.00 0.00 56.10 56.95 1j0q s TRP 22 Cb -0.15 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 1j0q s TRP 22 CO 0.06 0.66 0.15 -0.51 0.02 0.00 0.00 176.95 177.33 1j0q s LEU 23 N -0.90 1.62 -0.21 2.99 1.02 0.06 0.22 118.68 123.48 1j0q s LEU 23 Ca 0.17 -0.68 -0.09 0.00 0.02 0.00 0.00 54.13 53.55 1j0q s LEU 23 Cb -0.13 0.86 -0.04 0.00 0.02 0.00 0.00 46.19 46.90 1j0q s LEU 23 CO 0.07 -0.68 0.11 -0.63 0.02 0.00 0.00 176.35 175.23 1j0q s ILE 24 N -3.70 5.02 -0.37 -0.59 -1.09 -0.89 -0.63 121.20 118.95 1j0q s ILE 24 Ca 0.04 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1j0q s ILE 24 Cb 0.05 -3.30 0.13 0.00 -1.58 0.00 0.00 42.46 37.75 1j0q s ILE 24 CO -0.10 0.41 0.19 -0.76 -1.23 0.00 0.00 174.94 173.44 1j0q s LEU 25 N 0.73 1.92 -0.38 2.97 1.02 -0.95 -0.63 118.68 123.36 1j0q s LEU 25 Ca 0.06 -2.16 -0.00 0.00 0.02 0.00 0.00 54.13 52.05 1j0q s LEU 25 Cb -0.13 -0.76 0.00 0.00 0.02 0.00 0.00 46.19 45.32 1j0q s LEU 25 CO 0.02 -0.33 0.32 1.41 0.02 0.00 0.00 176.35 177.79 1j0q n HIS 26 N 4.14 -0.72 0.00 0.29 8.25 -1.26 -3.92 115.22 122.00 1j0q n HIS 26 Ca 0.06 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1j0q n HIS 26 Cb 0.38 -2.85 0.00 0.00 1.12 0.00 0.00 29.99 28.63 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 -2.18 0.00 -1.07 4.41 4.01 -1.26 -4.93 117.16 116.14 1j0q n TYR 27 Ca -0.08 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.33 1j0q n TYR 27 Cb 0.55 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.70 1j0q n TYR 27 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1j0q n LYS 28 N 0.00 0.11 -5.15 -0.72 4.76 -1.25 -0.33 118.16 115.58 1j0q n LYS 28 Ca 0.00 0.11 -0.32 0.00 -2.87 0.00 0.00 58.31 55.23 1j0q n LYS 28 Cb 0.00 -2.30 -0.15 0.00 -1.84 0.00 0.00 35.03 30.74 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 -2.15 2.37 -0.07 -0.18 1.01 0.07 -2.23 120.40 119.22 1j0q s VAL 29 Ca 0.70 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1j0q s VAL 29 Cb -0.29 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1j0q s VAL 29 CO 0.54 0.57 -0.14 -0.31 0.00 0.00 0.00 175.10 175.76 1j0q s TYR 30 N -0.34 1.62 -0.12 5.22 1.51 0.20 -0.98 117.35 124.46 1j0q s TYR 30 Ca 0.02 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.46 1j0q s TYR 30 Cb -0.12 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1j0q s TYR 30 CO 0.02 -0.30 -0.10 0.34 -1.11 0.00 0.00 175.55 174.40 1j0q s ASP 31 N 0.63 4.33 -0.39 2.29 -1.08 -0.28 -0.76 116.67 121.41 1j0q s ASP 31 Ca -0.15 -0.22 0.07 0.00 -0.52 0.00 0.00 52.55 51.73 1j0q s ASP 31 Cb -0.16 -1.53 0.18 0.00 -1.46 0.00 0.00 42.92 39.94 1j0q s ASP 31 CO 0.04 0.21 0.59 -1.48 0.52 0.00 0.00 175.17 175.05 1j0q s LEU 32 N 0.10 -1.36 -0.05 -1.34 2.34 -0.50 -4.74 118.68 113.14 1j0q s LEU 32 Ca -0.04 -0.75 0.00 0.00 0.06 0.00 0.00 54.13 53.40 1j0q s LEU 32 Cb -0.14 1.79 -0.26 0.00 -0.56 0.00 0.00 46.19 47.02 1j0q s LEU 32 CO 0.04 -0.20 0.65 0.71 -1.06 0.00 0.00 176.35 176.49 1j0q h THR 33 N 5.15 0.91 -0.13 5.48 1.35 -1.96 -3.36 112.91 120.34 1j0q h THR 33 Ca 0.04 -2.63 -0.15 0.00 -0.55 0.00 0.00 66.41 63.12 1j0q h THR 33 Cb 1.16 2.59 0.01 0.00 -1.73 0.00 0.00 68.15 70.18 1j0q h THR 33 CO 0.12 0.76 -0.51 0.11 -0.25 0.00 0.00 175.52 175.75 1j0q h LYS 34 N 0.05 0.58 0.00 4.72 1.57 -1.99 -3.33 116.57 118.17 1j0q h LYS 34 Ca -0.31 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 57.96 1j0q h LYS 34 Cb 2.02 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.40 1j0q h LYS 34 CO 0.12 1.07 -0.31 0.35 -0.57 0.00 0.00 179.45 180.11 1j0q h PHE 35 N 0.22 0.00 -0.32 -1.35 3.57 -1.96 0.85 116.94 117.95 1j0q h PHE 35 Ca -0.03 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1j0q h PHE 35 Cb 1.14 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1j0q h PHE 35 CO 0.10 0.31 -0.11 1.28 -2.23 0.00 0.00 178.31 177.66 1j0q n LEU 36 N -4.03 -0.18 0.18 0.59 4.77 -1.25 0.14 117.00 117.21 1j0q n LEU 36 Ca -0.02 0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 1j0q n LEU 36 Cb 0.37 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1j0q n LEU 36 CO 0.37 -0.50 0.65 -0.33 -1.33 0.00 0.00 177.39 176.25 1j0q h GLU 37 N 0.00 -0.41 0.00 3.23 5.08 -1.04 -3.27 114.58 118.17 1j0q h GLU 37 Ca 0.12 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1j0q h GLU 37 Cb 0.20 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1j0q h GLU 37 CO -0.32 -0.16 -0.20 0.93 -1.00 0.00 0.00 179.01 178.26 1j0q h GLU 38 N -0.61 0.00 -6.25 2.33 5.08 -0.87 -3.46 114.58 110.80 1j0q h GLU 38 Ca -0.04 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.77 1j0q h GLU 38 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1j0q h GLU 38 CO 0.07 0.20 1.08 -1.58 -1.00 0.00 0.00 179.01 177.79 1j0q s HIS 39 N -3.53 2.05 0.28 4.33 2.46 0.12 -4.92 115.29 116.08 1j0q s HIS 39 Ca 0.02 0.29 0.02 0.00 0.47 0.00 0.00 55.06 55.86 1j0q s HIS 39 Cb 0.09 -3.89 0.61 0.00 -0.13 0.00 0.00 32.58 29.26 1j0q s HIS 39 CO 0.64 -3.60 1.77 -1.35 -2.47 0.00 0.00 174.74 169.73 1j0q h PRO 40 N 9.60 0.68 0.00 2.88 0.11 -1.90 0.89 132.00 144.26 1j0q h PRO 40 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1j0q h PRO 40 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1j0q h PRO 40 CO 0.96 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 179.61 1j0q n GLY 41 N -1.33 -0.95 0.00 -0.55 0.00 -1.26 -5.01 105.19 96.09 1j0q n GLY 41 Ca 0.19 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 -0.45 -1.18 0.07 -0.02 0.00 0.31 -4.55 105.19 99.36 1j0q n GLY 42 Ca 0.02 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 -0.70 1.61 4.22 -1.83 -3.35 114.58 114.53 1j0q h GLU 43 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.50 1j0q h GLU 43 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1j0q h GLU 43 CO 0.00 0.65 -0.41 0.39 -2.18 0.00 0.00 179.01 177.46 1j0q n GLU 44 N -4.65 -0.31 -0.20 1.92 1.02 -1.26 -0.23 120.64 116.93 1j0q n GLU 44 Ca -0.09 1.06 -0.03 0.00 -0.02 0.00 0.00 57.16 58.09 1j0q n GLU 44 Cb 0.34 -1.57 0.08 0.00 -0.02 0.00 0.00 31.44 30.27 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1j0q h VAL 45 N 0.00 0.97 -0.30 2.62 -1.51 -1.80 0.14 116.25 116.37 1j0q h VAL 45 Ca 0.11 -0.21 0.01 0.00 -1.23 0.00 0.00 66.70 65.38 1j0q h VAL 45 Cb 0.29 0.30 -0.02 0.00 -2.13 0.00 0.00 31.29 29.72 1j0q h VAL 45 CO -0.65 0.11 0.17 -0.07 -1.23 0.00 0.00 177.57 175.89 1j0q h LEU 46 N 0.61 0.27 0.04 4.19 -0.00 -0.73 -1.48 115.31 118.21 1j0q h LEU 46 Ca 0.27 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.87 1j0q h LEU 46 Cb 0.16 -0.05 0.02 0.00 -0.00 0.00 0.00 40.66 40.79 1j0q h LEU 46 CO -0.17 0.20 -1.15 0.03 -0.00 0.00 0.00 178.44 177.35 1j0q h ARG 47 N 0.35 0.60 -0.74 1.13 3.08 -0.25 0.42 114.38 118.97 1j0q h ARG 47 Ca 0.12 -0.74 0.17 0.00 0.07 0.00 0.00 59.98 59.60 1j0q h ARG 47 Cb 0.01 0.23 -0.12 0.00 0.08 0.00 0.00 29.97 30.16 1j0q h ARG 47 CO -0.06 1.32 0.05 1.49 -1.07 0.00 0.00 179.97 181.70 1j0q h GLU 48 N 0.29 0.14 -0.03 0.04 4.57 -0.74 -1.39 114.58 117.47 1j0q h GLU 48 Ca -0.15 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.82 1j0q h GLU 48 Cb 1.82 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.37 1j0q h GLU 48 CO 0.22 0.09 -0.83 1.96 -1.18 0.00 0.00 179.01 179.27 1j0q h GLN 49 N 0.14 0.34 -7.22 1.92 7.50 -0.95 -3.47 115.11 113.37 1j0q h GLN 49 Ca 0.41 -0.32 -0.47 0.00 0.50 0.00 0.00 58.65 58.76 1j0q h GLN 49 Cb 0.71 0.08 0.20 0.00 0.05 0.00 0.00 27.48 28.52 1j0q h GLN 49 CO -0.61 0.99 0.12 0.00 -1.50 0.00 0.00 178.83 177.84 1j0q s ALA 50 N -3.41 0.53 -1.48 3.87 0.00 0.15 -2.47 121.76 118.94 1j0q s ALA 50 Ca -0.05 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1j0q s ALA 50 Cb 0.10 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1j0q s ALA 50 CO 0.84 -3.23 0.15 0.41 0.00 0.00 0.00 175.76 173.93 1j0q n GLY 51 N 0.28 -0.25 0.00 0.00 0.00 0.13 -4.73 105.19 100.63 1j0q n GLY 51 Ca 0.07 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.45 0.15 3.77 -0.02 0.00 -1.03 -4.20 105.19 101.40 1j0q n GLY 52 Ca -0.29 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 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 6.60 0.00 1.61 2.15 -1.26 -2.09 116.67 123.68 1j0q s ASP 53 Ca 0.00 2.59 0.16 0.00 0.43 0.00 0.00 52.55 55.73 1j0q s ASP 53 Cb 0.00 -2.64 0.27 0.00 -0.30 0.00 0.00 42.92 40.25 1j0q s ASP 53 CO 0.00 -0.64 1.10 0.00 -0.17 0.00 0.00 175.17 175.46 1j0q n ALA 54 N 0.47 2.27 0.25 3.66 0.00 0.20 -4.82 120.51 122.53 1j0q n ALA 54 Ca 0.02 -1.82 -0.10 0.00 0.00 0.00 0.00 53.44 51.54 1j0q n ALA 54 Cb 0.43 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 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 6.91 0.00 -0.42 0.00 2.02 -1.84 0.09 112.91 119.67 1j0q h THR 55 Ca -0.16 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.04 1j0q h THR 55 Cb 1.71 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 1j0q h THR 55 CO 0.05 0.00 0.10 -0.33 0.37 0.00 0.00 175.52 175.71 1j0q h GLU 56 N -0.67 0.22 -0.79 6.66 5.08 -1.95 0.68 114.58 123.82 1j0q h GLU 56 Ca -0.06 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.47 1j0q h GLU 56 Cb 0.49 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.55 1j0q h GLU 56 CO 0.11 0.15 0.03 -0.97 -1.00 0.00 0.00 179.01 177.32 1j0q h ASN 57 N 0.23 -0.33 -0.14 1.42 -1.24 -1.95 0.14 115.58 113.72 1j0q h ASN 57 Ca 0.20 0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.41 1j0q h ASN 57 Cb 0.24 0.35 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 1j0q h ASN 57 CO -0.25 -0.19 0.07 0.15 -1.29 0.00 0.00 177.43 175.91 1j0q h PHE 58 N 0.11 0.21 -0.23 0.67 3.57 0.12 -1.42 116.94 119.97 1j0q h PHE 58 Ca 0.44 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.94 1j0q h PHE 58 Cb 0.80 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1j0q h PHE 58 CO -0.42 0.25 0.14 0.93 -2.23 0.00 0.00 178.31 176.99 1j0q h GLU 59 N 0.10 0.29 -0.53 1.11 4.39 -0.99 -3.16 114.58 115.80 1j0q h GLU 59 Ca 0.05 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.83 1j0q h GLU 59 Cb 0.13 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.63 1j0q h GLU 59 CO -0.01 0.19 0.04 0.22 -1.16 0.00 0.00 179.01 178.29 1j0q h ASP 60 N 0.30 -0.15 0.00 1.42 3.58 -0.46 0.16 116.42 121.27 1j0q h ASP 60 Ca 0.09 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1j0q h ASP 60 Cb -0.02 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1j0q h ASP 60 CO -0.03 -0.05 0.00 1.41 -2.88 0.00 0.00 179.24 177.69 1j0q n HIS 61 N -5.20 0.00 -3.56 0.28 8.25 -0.56 -4.89 115.22 109.54 1j0q n HIS 61 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 1j0q n HIS 61 Cb 0.28 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.47 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 0.36 -0.51 3.72 -1.41 0.00 0.55 -4.90 105.19 103.01 1j0q n GLY 62 Ca 0.15 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.84 2.56 -0.86 1.61 8.25 -1.23 -4.94 115.22 115.76 1j0q n HIS 63 Ca -0.05 0.43 -0.28 0.00 -0.26 0.00 0.00 57.72 57.57 1j0q n HIS 63 Cb 0.58 -2.49 0.22 0.00 1.12 0.00 0.00 29.99 29.41 1j0q n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1j0q s SER 64 N 0.04 1.72 0.23 0.41 1.04 -1.26 -4.69 113.70 111.19 1j0q s SER 64 Ca 0.59 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 1j0q s SER 64 Cb -0.55 -2.05 0.32 0.00 0.10 0.00 0.00 66.02 63.85 1j0q s SER 64 CO 0.57 -3.71 1.61 0.71 0.98 0.00 0.00 173.24 173.39 1j0q h THR 65 N -2.29 0.25 0.15 2.02 1.35 -1.98 0.15 112.91 112.57 1j0q h THR 65 Ca -0.59 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1j0q h THR 65 Cb 1.34 0.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1j0q h THR 65 CO 0.54 0.00 -0.09 0.44 -0.25 0.00 0.00 175.52 176.17 1j0q h ASP 66 N 0.01 -0.22 -0.97 5.36 5.19 -1.99 0.12 116.42 123.92 1j0q h ASP 66 Ca 0.36 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.79 1j0q h ASP 66 Cb 0.56 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.09 1j0q h ASP 66 CO -0.77 -0.15 0.63 0.00 -3.12 0.00 0.00 179.24 175.84 1j0q h ALA 67 N 0.61 1.23 0.12 3.45 0.00 -1.79 0.63 119.26 123.52 1j0q h ALA 67 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j0q h ALA 67 Cb 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1j0q h ALA 67 CO 0.02 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.74 1j0q h ARG 68 N 1.32 -0.29 -0.71 0.00 -0.00 -0.14 0.54 114.38 115.10 1j0q h ARG 68 Ca 0.35 0.02 0.16 0.00 -0.50 0.00 0.00 59.98 60.01 1j0q h ARG 68 Cb -0.14 0.06 -0.11 0.00 0.00 0.00 0.00 29.97 29.79 1j0q h ARG 68 CO -0.07 -0.19 0.11 1.49 0.00 0.00 0.00 179.97 181.30 1j0q h GLU 69 N -0.30 0.19 -0.42 0.04 4.57 -0.54 0.34 114.58 118.47 1j0q h GLU 69 Ca -0.01 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1j0q h GLU 69 Cb 0.27 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 1j0q h GLU 69 CO -0.04 0.13 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.80 1j0q h LEU 70 N 0.20 -0.28 -1.28 1.64 -0.00 -0.73 -1.22 115.31 113.64 1j0q h LEU 70 Ca 0.40 0.11 0.07 0.00 -0.00 0.00 0.00 57.88 58.45 1j0q h LEU 70 Cb 0.68 0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 41.50 1j0q h LEU 70 CO -0.54 -0.09 0.52 0.77 -0.00 0.00 0.00 178.44 179.09 1j0q h SER 71 N 0.05 0.76 0.37 -0.43 4.64 0.13 0.42 113.55 119.50 1j0q h SER 71 Ca 0.21 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1j0q h SER 71 Cb 0.31 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1j0q h SER 71 CO -0.39 0.49 -0.27 0.11 -0.87 0.00 0.00 176.83 175.91 1j0q h LYS 72 N 0.86 -0.61 0.00 4.77 1.57 -0.60 -2.22 116.57 120.34 1j0q h LYS 72 Ca 0.35 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1j0q h LYS 72 Cb 0.24 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1j0q h LYS 72 CO -0.12 -0.41 -0.18 0.00 -0.57 0.00 0.00 179.45 178.18 1j0q h THR 73 N -0.63 0.88 0.00 -0.16 1.03 -0.89 -1.28 112.91 111.86 1j0q h THR 73 Ca -0.03 -0.66 0.00 0.00 -0.01 0.00 0.00 66.41 65.70 1j0q h THR 73 Cb 0.54 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 1j0q h THR 73 CO 0.01 0.17 0.00 0.49 -0.01 0.00 0.00 175.52 176.18 1j0q n PHE 74 N -3.97 0.35 -1.70 0.00 3.72 0.05 -4.83 117.46 111.08 1j0q n PHE 74 Ca -0.02 0.12 -0.44 0.00 -0.05 0.00 0.00 57.45 57.06 1j0q n PHE 74 Cb 0.26 -0.70 -0.03 0.00 -0.94 0.00 0.00 39.48 38.07 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 -1.80 0.22 -0.01 4.37 5.41 -0.48 -1.13 119.36 125.93 1j0q n ILE 75 Ca 0.04 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1j0q n ILE 75 Cb 0.26 -1.76 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 3.33 0.00 -0.44 1.39 -5.35 -0.15 -4.90 119.36 113.24 1j0q n ILE 76 Ca 0.15 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1j0q n ILE 76 Cb 0.32 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 0.60 -1.44 3.06 3.28 0.00 -1.20 -4.91 105.19 104.58 1j0q n GLY 77 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.78 0.47 -0.17 1.61 8.01 -1.26 -0.75 118.70 124.83 1j0q s GLU 78 Ca 0.00 -0.69 -0.29 0.00 0.01 0.00 0.00 54.97 54.00 1j0q s GLU 78 Cb 0.00 0.18 -0.01 0.00 -4.31 0.00 0.00 34.13 29.98 1j0q s GLU 78 CO 0.00 -0.10 1.25 -1.17 0.01 0.00 0.00 175.26 175.25 1j0q s LEU 79 N -1.83 4.18 0.98 1.80 1.98 0.56 0.06 118.68 126.40 1j0q s LEU 79 Ca -0.10 1.67 -0.14 0.00 -2.89 0.00 0.00 54.13 52.68 1j0q s LEU 79 Cb -0.05 -3.54 0.05 0.00 0.66 0.00 0.00 46.19 43.31 1j0q s LEU 79 CO -0.03 -0.75 0.35 1.57 -1.89 0.00 0.00 176.35 175.60 1j0q n HIS 80 N 6.57 -1.47 0.10 5.38 -0.00 0.18 -4.87 115.22 121.10 1j0q n HIS 80 Ca 0.14 0.22 -0.19 0.00 -0.00 0.00 0.00 57.72 57.88 1j0q n HIS 80 Cb 0.45 -1.75 -0.15 0.00 -0.00 0.00 0.00 29.99 28.54 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 -1.64 0.35 -0.86 1.57 0.11 -1.94 -3.31 132.00 126.29 1j0q h PRO 81 Ca -0.45 -0.60 -0.00 0.00 0.11 0.00 0.00 66.00 65.06 1j0q h PRO 81 Cb 1.29 0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.58 1j0q h PRO 81 CO 0.35 1.26 0.53 0.22 -0.21 0.00 0.00 178.00 180.14 1j0q h ASP 82 N 0.10 1.03 -0.00 -2.05 3.58 -2.00 -3.07 116.42 114.00 1j0q h ASP 82 Ca -0.22 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1j0q h ASP 82 Cb 2.05 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.84 1j0q h ASP 82 CO 0.21 0.78 -0.00 -0.67 -2.88 0.00 0.00 179.24 176.68 1j0q n ASP 83 N -4.37 -0.00 -0.46 2.28 -0.08 -1.24 -5.20 116.55 107.47 1j0q n ASP 83 Ca 0.09 0.83 0.14 0.00 -1.51 0.00 0.00 54.79 54.35 1j0q n ASP 83 Cb 0.06 -0.41 0.54 0.00 2.34 0.00 0.00 41.12 43.65 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21