#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 -0.10 0.00 0.24 -1.26 -5.03 118.33 112.18 1j0q n VAL 4 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1j0q n VAL 4 Cb 0.00 -1.12 -0.09 0.00 -1.47 0.00 0.00 33.84 31.16 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 -1.43 0.47 -3.39 7.34 5.02 -1.26 -5.06 118.16 119.86 1j0q n LYS 5 Ca 0.00 0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 1j0q n LYS 5 Cb 0.00 -1.36 0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -3.24 -2.79 -1.20 2.13 4.01 -1.26 -4.94 117.16 109.86 1j0q n TYR 6 Ca -0.36 1.15 -0.47 0.00 -0.16 0.00 0.00 57.90 58.06 1j0q n TYR 6 Cb 0.85 -2.50 -0.07 0.00 -0.31 0.00 0.00 39.34 37.31 1j0q n TYR 6 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1j0q n TYR 7 N -0.62 1.01 -2.64 -0.72 4.01 -0.77 -4.53 117.16 112.91 1j0q n TYR 7 Ca -0.07 0.81 -0.34 0.00 -0.16 0.00 0.00 57.90 58.13 1j0q n TYR 7 Cb 0.63 -1.57 -0.05 0.00 -0.31 0.00 0.00 39.34 38.04 1j0q n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1j0q s THR 8 N 1.48 3.98 0.32 -0.72 -4.23 -1.26 -0.37 115.64 114.84 1j0q s THR 8 Ca 0.72 1.31 0.08 0.00 -1.18 0.00 0.00 61.69 62.62 1j0q s THR 8 Cb -1.03 -3.57 0.32 0.00 1.34 0.00 0.00 72.50 69.56 1j0q s THR 8 CO 0.53 -0.20 1.78 0.25 -0.54 0.00 0.00 174.62 176.45 1j0q h LEU 9 N 1.93 0.72 -0.87 4.79 6.46 -1.93 0.14 115.31 126.55 1j0q h LEU 9 Ca -0.49 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.46 1j0q h LEU 9 Cb 1.21 -0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 40.97 1j0q h LEU 9 CO 0.61 0.25 -0.52 -0.08 -0.62 0.00 0.00 178.44 178.08 1j0q h GLU 10 N 0.70 -0.08 0.17 1.25 4.57 -2.00 0.77 114.58 119.97 1j0q h GLU 10 Ca 0.57 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.75 1j0q h GLU 10 Cb 0.97 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1j0q h GLU 10 CO -0.35 -0.05 -0.08 0.93 -1.18 0.00 0.00 179.01 178.27 1j0q h GLU 11 N -0.08 -0.22 -0.46 1.92 4.39 -1.42 -3.12 114.58 115.59 1j0q h GLU 11 Ca 0.19 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.99 1j0q h GLU 11 Cb 0.50 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 1j0q h GLU 11 CO -0.87 0.07 0.09 0.82 -1.16 0.00 0.00 179.01 177.95 1j0q h ILE 12 N -0.51 0.74 -0.19 3.13 2.04 0.17 0.21 117.51 123.10 1j0q h ILE 12 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1j0q h ILE 12 Cb 0.39 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1j0q h ILE 12 CO 0.04 0.04 0.12 1.56 0.00 0.00 0.00 178.15 179.91 1j0q h GLN 13 N 0.22 0.25 -0.80 2.37 1.08 -1.00 -1.99 115.11 115.24 1j0q h GLN 13 Ca 0.23 -0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.53 1j0q h GLN 13 Cb 0.30 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.59 1j0q h GLN 13 CO -0.30 0.19 0.41 -0.22 -0.95 0.00 0.00 178.83 177.96 1j0q h LYS 14 N 0.24 0.61 -4.04 1.46 1.63 -1.12 -3.07 116.57 112.28 1j0q h LYS 14 Ca 0.07 -0.04 -0.62 0.00 -0.85 0.00 0.00 60.65 59.22 1j0q h LYS 14 Cb 0.00 -0.14 0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1j0q h LYS 14 CO -0.01 0.40 2.70 0.72 -3.45 0.00 0.00 179.45 179.80 1j0q n HIS 15 N -4.86 2.24 -0.71 1.91 8.25 0.62 -4.02 115.22 118.65 1j0q n HIS 15 Ca 0.15 -2.24 0.01 0.00 -0.26 0.00 0.00 57.72 55.39 1j0q n HIS 15 Cb 0.37 -1.98 0.02 0.00 1.12 0.00 0.00 29.99 29.52 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 6.20 1.16 0.00 0.41 0.23 -1.16 -0.48 115.26 121.62 1j0q n ASN 16 Ca 0.52 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1j0q n ASN 16 Cb 0.34 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.41 1.87 0.24 0.53 2.85 -1.26 -4.87 115.26 114.22 1j0q n ASN 17 Ca 0.02 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.62 1j0q n ASN 17 Cb 0.44 0.00 0.55 0.00 1.24 0.00 0.00 39.78 42.01 1j0q n ASN 17 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1j0q h SER 18 N 0.00 0.00 -0.50 1.20 4.64 -1.98 0.73 113.55 117.63 1j0q h SER 18 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1j0q h SER 18 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 1j0q h SER 18 CO 0.00 0.14 0.11 0.29 -0.87 0.00 0.00 176.83 176.50 1j0q n LYS 19 N -3.30 -0.04 0.00 4.77 4.76 -1.26 -4.88 118.16 118.21 1j0q n LYS 19 Ca 0.00 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1j0q n LYS 19 Cb 0.38 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 -4.41 0.00 -4.61 4.39 7.64 0.24 -5.00 113.62 111.87 1j0q n SER 20 Ca 0.15 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.61 1j0q n SER 20 Cb 0.49 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 4.82 0.19 0.44 2.01 -1.15 -4.14 115.64 117.81 1j0q s THR 21 Ca 0.00 1.14 0.06 0.00 0.31 0.00 0.00 61.69 63.21 1j0q s THR 21 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1j0q s THR 21 CO 0.00 -0.23 0.12 0.26 -0.69 0.00 0.00 174.62 174.08 1j0q s TRP 22 N 2.90 3.06 0.14 4.92 0.52 0.37 -1.15 118.94 129.71 1j0q s TRP 22 Ca 0.31 -0.07 -0.09 0.00 0.02 0.00 0.00 56.10 56.27 1j0q s TRP 22 Cb -0.14 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 1j0q s TRP 22 CO 0.12 0.53 0.26 -0.48 0.02 0.00 0.00 176.95 177.40 1j0q s LEU 23 N -3.27 1.08 -0.27 2.99 0.05 0.08 -0.20 118.68 119.13 1j0q s LEU 23 Ca 0.31 -0.82 -0.06 0.00 0.05 0.00 0.00 54.13 53.61 1j0q s LEU 23 Cb -0.09 1.14 -0.00 0.00 -2.05 0.00 0.00 46.19 45.19 1j0q s LEU 23 CO 0.23 -0.85 0.05 -0.63 -0.55 0.00 0.00 176.35 174.60 1j0q s ILE 24 N -3.94 3.90 -0.20 1.48 -1.09 -0.43 -0.65 121.20 120.27 1j0q s ILE 24 Ca 0.14 -0.56 0.15 0.00 -2.23 0.00 0.00 60.65 58.15 1j0q s ILE 24 Cb 0.04 -2.93 0.46 0.00 -1.58 0.00 0.00 42.46 38.44 1j0q s ILE 24 CO -0.03 0.20 1.35 0.18 -1.23 0.00 0.00 174.94 175.41 1j0q n LEU 25 N 4.86 3.48 0.00 2.97 4.32 -0.99 -0.26 117.00 131.38 1j0q n LEU 25 Ca -0.16 -3.29 0.00 0.00 -0.02 0.00 0.00 56.01 52.54 1j0q n LEU 25 Cb 0.49 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1j0q n LEU 25 CO 0.31 0.88 0.00 0.00 -1.22 0.00 0.00 177.39 177.36 1j0q n HIS 26 N -0.94 0.00 0.00 -1.77 1.44 -1.26 -4.76 115.22 107.92 1j0q n HIS 26 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1j0q n HIS 26 Cb 0.85 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.96 1j0q n HIS 26 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1j0q n TYR 27 N 0.00 0.00 -1.82 -1.40 9.36 -1.26 -4.93 117.16 117.11 1j0q n TYR 27 Ca 0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 1j0q n TYR 27 Cb 0.00 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.76 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1j0q s LYS 28 N 0.00 2.72 -0.11 2.98 -0.14 -1.26 -0.30 119.74 123.64 1j0q s LYS 28 Ca 0.00 1.76 -0.01 0.00 -1.36 0.00 0.00 55.97 56.35 1j0q s LYS 28 Cb 0.00 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.22 1j0q s LYS 28 CO 0.00 -1.38 -0.05 0.08 -0.76 0.00 0.00 175.35 173.24 1j0q s VAL 29 N -1.79 3.86 -0.15 3.17 1.01 0.06 -2.34 120.40 124.23 1j0q s VAL 29 Ca 0.75 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 1j0q s VAL 29 Cb -0.29 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1j0q s VAL 29 CO 0.37 0.55 -0.06 -0.31 0.00 0.00 0.00 175.10 175.66 1j0q s TYR 30 N -0.31 1.68 -0.12 5.22 1.51 0.18 -1.20 117.35 124.31 1j0q s TYR 30 Ca 0.05 -1.01 -0.17 0.00 -1.01 0.00 0.00 57.07 54.93 1j0q s TYR 30 Cb -0.12 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1j0q s TYR 30 CO 0.02 -0.59 0.43 0.34 -1.11 0.00 0.00 175.55 174.64 1j0q s ASP 31 N 1.64 6.64 0.00 2.29 -1.08 -0.83 -0.74 116.67 124.59 1j0q s ASP 31 Ca 0.02 0.75 0.03 0.00 -0.52 0.00 0.00 52.55 52.84 1j0q s ASP 31 Cb -0.14 -2.26 0.07 0.00 -1.46 0.00 0.00 42.92 39.13 1j0q s ASP 31 CO -0.08 0.05 0.92 0.18 0.52 0.00 0.00 175.17 176.76 1j0q n LEU 32 N 3.50 1.94 -0.34 -1.34 4.77 -0.30 -4.80 117.00 120.43 1j0q n LEU 32 Ca -0.09 -1.66 0.26 0.00 -0.03 0.00 0.00 56.01 54.50 1j0q n LEU 32 Cb 0.52 -0.05 0.55 0.00 -2.33 0.00 0.00 43.42 42.11 1j0q n LEU 32 CO 0.42 0.47 1.23 0.74 -1.33 0.00 0.00 177.39 178.92 1j0q h THR 33 N 0.63 0.46 0.18 -5.08 2.02 -1.94 0.85 112.91 110.03 1j0q h THR 33 Ca 0.00 -0.11 -0.32 0.00 0.77 0.00 0.00 66.41 66.75 1j0q h THR 33 Cb 0.42 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1j0q h THR 33 CO 0.00 0.06 -1.53 0.11 0.37 0.00 0.00 175.52 174.52 1j0q h LYS 34 N 0.31 0.39 0.00 6.66 1.57 -1.96 -3.35 116.57 120.19 1j0q h LYS 34 Ca 0.62 -0.66 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1j0q h LYS 34 Cb 1.73 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 1j0q h LYS 34 CO -0.28 1.29 -0.15 0.35 -0.57 0.00 0.00 179.45 180.09 1j0q h PHE 35 N 0.11 0.00 -0.83 -1.35 3.57 0.19 -0.27 116.94 118.35 1j0q h PHE 35 Ca -0.26 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.54 1j0q h PHE 35 Cb 2.08 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 40.67 1j0q h PHE 35 CO 0.09 0.15 0.25 1.28 -2.23 0.00 0.00 178.31 177.86 1j0q n LEU 36 N -3.90 0.11 0.00 0.59 4.77 0.62 -1.33 117.00 117.86 1j0q n LEU 36 Ca -0.02 1.40 0.00 0.00 -0.03 0.00 0.00 56.01 57.36 1j0q n LEU 36 Cb 0.25 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1j0q n LEU 36 CO 0.33 -1.50 0.33 -0.62 -1.33 0.00 0.00 177.39 174.60 1j0q n GLU 37 N -5.03 0.00 -0.95 3.23 1.02 -0.11 -3.31 120.64 115.50 1j0q n GLU 37 Ca 0.26 0.41 -0.12 0.00 -0.02 0.00 0.00 57.16 57.70 1j0q n GLU 37 Cb 0.88 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.92 1j0q n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1j0q n GLU 38 N -1.73 1.81 -4.07 3.49 -0.58 -0.44 -4.79 120.64 114.32 1j0q n GLU 38 Ca 0.00 -0.99 -0.32 0.00 -0.42 0.00 0.00 57.16 55.42 1j0q n GLU 38 Cb 0.00 -1.76 -0.16 0.00 -0.57 0.00 0.00 31.44 28.95 1j0q n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1j0q s HIS 39 N 0.20 2.90 -0.03 -0.32 2.46 -0.74 -4.96 115.29 114.79 1j0q s HIS 39 Ca 0.48 -1.91 -0.30 0.00 0.47 0.00 0.00 55.06 53.80 1j0q s HIS 39 Cb 0.25 -1.86 -0.08 0.00 -0.13 0.00 0.00 32.58 30.75 1j0q s HIS 39 CO -0.03 -0.82 2.03 -2.30 -2.47 0.00 0.00 174.74 171.15 1j0q n PRO 40 N 4.56 2.60 0.00 2.88 -0.02 -1.26 -0.20 135.00 143.56 1j0q n PRO 40 Ca -0.17 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1j0q n PRO 40 Cb 0.46 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 1j0q n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j0q n GLY 41 N 4.86 3.42 3.95 -1.23 0.00 -1.26 -5.09 105.19 109.85 1j0q n GLY 41 Ca 0.23 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -2.14 0.17 -0.02 0.00 0.72 -4.01 105.19 99.92 1j0q n GLY 42 Ca 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.34 -0.61 1.61 4.81 -1.84 -3.33 114.58 114.87 1j0q h GLU 43 Ca 0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1j0q h GLU 43 Cb 0.03 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 1j0q h GLU 43 CO 0.00 -0.23 -0.33 0.39 -0.73 0.00 0.00 179.01 178.11 1j0q n GLU 44 N -4.77 -0.24 -0.30 1.92 4.71 -1.26 0.12 120.64 120.81 1j0q n GLU 44 Ca -0.04 0.93 0.07 0.00 -0.01 0.00 0.00 57.16 58.11 1j0q n GLU 44 Cb 0.14 -1.37 0.22 0.00 -1.01 0.00 0.00 31.44 29.42 1j0q n GLU 44 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1j0q h VAL 45 N 0.00 0.77 -0.12 2.62 2.07 -1.72 0.11 116.25 119.98 1j0q h VAL 45 Ca 0.13 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1j0q h VAL 45 Cb 0.28 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1j0q h VAL 45 CO -0.59 0.13 -0.07 -0.07 0.02 0.00 0.00 177.57 176.98 1j0q h LEU 46 N 0.69 0.28 -0.40 2.57 3.38 -0.43 -3.33 115.31 118.07 1j0q h LEU 46 Ca 0.47 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1j0q h LEU 46 Cb 0.62 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1j0q h LEU 46 CO -0.34 0.65 0.13 -0.09 0.09 0.00 0.00 178.44 178.88 1j0q h ARG 47 N -0.10 0.28 -0.94 1.13 2.43 0.10 0.34 114.38 117.63 1j0q h ARG 47 Ca 0.02 -0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.39 1j0q h ARG 47 Cb 0.55 -0.06 -0.18 0.00 -0.42 0.00 0.00 29.97 29.87 1j0q h ARG 47 CO 0.02 0.18 -0.15 1.49 -1.51 0.00 0.00 179.97 180.00 1j0q h GLU 48 N 0.29 0.01 0.00 0.20 4.57 -0.97 -2.12 114.58 116.56 1j0q h GLU 48 Ca 0.19 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1j0q h GLU 48 Cb 0.18 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1j0q h GLU 48 CO -0.20 0.01 -1.52 0.94 -1.18 0.00 0.00 179.01 177.06 1j0q n GLN 49 N -5.55 0.63 -0.93 1.92 -0.06 -0.31 -4.99 117.38 108.08 1j0q n GLN 49 Ca 0.17 -0.05 -0.33 0.00 -2.00 0.00 0.00 57.00 54.79 1j0q n GLN 49 Cb 0.54 -1.66 0.13 0.00 -4.06 0.00 0.00 30.24 25.19 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j0q n ALA 50 N -2.22 -1.19 -3.67 1.69 0.00 0.10 -3.22 120.51 112.00 1j0q n ALA 50 Ca -0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.72 1j0q n ALA 50 Cb 0.56 -2.05 0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 0.91 -0.49 3.84 0.00 0.00 0.71 -4.85 105.19 105.32 1j0q n GLY 51 Ca 0.11 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.36 1j0q n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0q s GLY 52 N -3.53 -0.23 -0.99 -0.02 0.00 -1.20 -4.06 107.32 97.29 1j0q s GLY 52 Ca 0.49 0.28 -0.13 0.00 0.00 0.00 0.00 44.72 45.36 1j0q s GLY 52 CO 0.76 3.33 2.23 1.22 0.00 0.00 0.00 173.10 180.65 1j0q n ASP 53 N -0.85 -1.11 -1.01 1.64 9.92 -1.26 -1.32 116.55 122.56 1j0q n ASP 53 Ca -0.01 -0.48 0.08 0.00 -0.53 0.00 0.00 54.79 53.84 1j0q n ASP 53 Cb 0.60 -0.63 0.24 0.00 -0.64 0.00 0.00 41.12 40.70 1j0q n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j0q n ALA 54 N 6.68 2.56 0.41 2.24 0.00 0.64 -4.79 120.51 128.24 1j0q n ALA 54 Ca 0.67 -1.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.46 1j0q n ALA 54 Cb 0.14 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 2.79 0.09 0.31 0.00 2.02 -1.46 -0.21 112.91 116.45 1j0q h THR 55 Ca 0.00 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1j0q h THR 55 Cb 1.06 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1j0q h THR 55 CO 0.09 0.01 -0.49 -0.08 0.37 0.00 0.00 175.52 175.42 1j0q h GLU 56 N -1.21 -0.82 -0.42 6.66 4.81 -1.88 -0.58 114.58 121.13 1j0q h GLU 56 Ca -0.11 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1j0q h GLU 56 Cb 0.81 0.19 -0.09 0.00 0.63 0.00 0.00 28.75 30.29 1j0q h GLU 56 CO 0.18 -0.55 -0.26 -0.97 -0.73 0.00 0.00 179.01 176.68 1j0q h ASN 57 N -0.85 -0.89 0.59 1.04 -0.73 -1.88 0.35 115.58 113.20 1j0q h ASN 57 Ca -0.04 0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1j0q h ASN 57 Cb 0.78 0.45 -0.01 0.00 0.27 0.00 0.00 38.32 39.81 1j0q h ASN 57 CO -0.16 -0.28 -0.39 0.15 -0.37 0.00 0.00 177.43 176.39 1j0q h PHE 58 N -0.18 -1.04 -0.47 0.67 3.57 -0.91 -2.20 116.94 116.37 1j0q h PHE 58 Ca 0.20 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1j0q h PHE 58 Cb 0.50 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1j0q h PHE 58 CO -0.50 -0.57 0.10 1.49 -2.23 0.00 0.00 178.31 176.61 1j0q h GLU 59 N -0.92 0.24 -0.43 1.11 4.57 -0.48 -1.57 114.58 117.09 1j0q h GLU 59 Ca -0.08 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1j0q h GLU 59 Cb 0.75 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.20 1j0q h GLU 59 CO 0.06 0.16 -0.10 0.22 -1.18 0.00 0.00 179.01 178.17 1j0q h ASP 60 N 0.24 -0.39 0.00 1.04 3.58 -0.99 -3.29 116.42 116.62 1j0q h ASP 60 Ca 0.23 0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.72 1j0q h ASP 60 Cb 0.30 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1j0q h ASP 60 CO -0.30 -0.14 -0.17 1.41 -2.88 0.00 0.00 179.24 177.17 1j0q n HIS 61 N -5.32 0.00 0.00 0.28 8.25 -0.59 -4.85 115.22 113.00 1j0q n HIS 61 Ca 0.03 -1.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.33 1j0q n HIS 61 Cb 0.23 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.33 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 2.07 1.68 3.25 -1.41 0.00 -1.24 -4.87 105.19 104.66 1j0q n GLY 62 Ca 0.21 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.52 -1.26 1.61 8.25 -1.26 -4.86 115.22 117.17 1j0q n HIS 63 Ca 0.00 0.22 -0.39 0.00 -0.26 0.00 0.00 57.72 57.29 1j0q n HIS 63 Cb 0.00 -1.16 0.02 0.00 1.12 0.00 0.00 29.99 29.96 1j0q n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1j0q n SER 64 N 1.02 -3.42 -0.26 0.41 7.64 -1.26 -4.33 113.62 113.41 1j0q n SER 64 Ca -0.02 0.64 0.26 0.00 1.01 0.00 0.00 58.87 60.76 1j0q n SER 64 Cb 0.53 -0.89 0.47 0.00 -1.01 0.00 0.00 64.21 63.31 1j0q n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1j0q n THR 65 N -1.59 -0.34 -0.08 0.44 -2.24 -1.26 -0.08 114.28 109.13 1j0q n THR 65 Ca 0.08 1.64 -0.15 0.00 -2.27 0.00 0.00 64.05 63.35 1j0q n THR 65 Cb 0.48 -2.66 -0.04 0.00 -2.10 0.00 0.00 70.33 66.01 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 0.94 -0.41 3.42 5.19 -1.98 0.39 116.42 123.97 1j0q h ASP 66 Ca 0.68 -0.53 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1j0q h ASP 66 Cb 1.80 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 41.02 1j0q h ASP 66 CO -0.62 1.30 0.10 0.00 -3.12 0.00 0.00 179.24 176.89 1j0q h ALA 67 N 0.67 0.54 -0.10 3.45 0.00 -0.77 0.16 119.26 123.21 1j0q h ALA 67 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1j0q h ALA 67 Cb 1.12 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1j0q h ALA 67 CO 0.12 0.22 -0.20 0.00 0.00 0.00 0.00 179.25 179.38 1j0q h ARG 68 N 0.52 -0.27 -0.39 0.00 3.08 -0.73 0.53 114.38 117.12 1j0q h ARG 68 Ca 0.13 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.26 1j0q h ARG 68 Cb 0.31 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1j0q h ARG 68 CO 0.00 -0.18 0.08 0.93 -1.07 0.00 0.00 179.97 179.73 1j0q h GLU 69 N -0.28 0.20 -0.81 0.04 4.39 -0.08 -0.44 114.58 117.60 1j0q h GLU 69 Ca 0.09 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.96 1j0q h GLU 69 Cb 0.40 -0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.89 1j0q h GLU 69 CO -0.26 0.13 0.28 -0.07 -1.16 0.00 0.00 179.01 177.94 1j0q h LEU 70 N 0.20 0.17 -0.72 1.33 -0.00 -0.18 0.21 115.31 116.33 1j0q h LEU 70 Ca 0.19 0.15 0.03 0.00 -0.00 0.00 0.00 57.88 58.24 1j0q h LEU 70 Cb 0.22 0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 1j0q h LEU 70 CO -0.25 -0.00 0.45 0.77 -0.00 0.00 0.00 178.44 179.41 1j0q h SER 71 N 0.35 0.74 -0.20 -0.43 4.64 0.75 -0.56 113.55 118.85 1j0q h SER 71 Ca 0.47 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.84 1j0q h SER 71 Cb 0.84 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 1j0q h SER 71 CO -0.51 0.51 -0.07 0.11 -0.87 0.00 0.00 176.83 176.01 1j0q h LYS 72 N 0.88 -0.03 0.00 4.77 1.57 0.10 0.17 116.57 124.03 1j0q h LYS 72 Ca 0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1j0q h LYS 72 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1j0q h LYS 72 CO -0.11 -0.02 -0.20 0.00 -0.57 0.00 0.00 179.45 178.56 1j0q h THR 73 N -0.03 0.89 0.00 -0.16 1.03 -1.00 -2.02 112.91 111.63 1j0q h THR 73 Ca 0.10 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 1j0q h THR 73 Cb 0.18 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 1j0q h THR 73 CO -0.22 0.19 0.00 0.49 -0.01 0.00 0.00 175.52 175.97 1j0q n PHE 74 N -3.95 0.00 -1.66 0.00 3.72 0.44 -4.86 117.46 111.16 1j0q n PHE 74 Ca -0.02 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.91 1j0q n PHE 74 Cb 0.28 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 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 -1.43 0.12 -0.09 4.37 5.41 -0.36 -1.96 119.36 125.42 1j0q n ILE 75 Ca 0.08 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1j0q n ILE 75 Cb 0.27 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 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 3.09 0.00 -3.85 1.39 -5.35 -0.34 -4.92 119.36 109.37 1j0q n ILE 76 Ca 0.16 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1j0q n ILE 76 Cb 0.28 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 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 0.45 -0.65 3.16 3.28 0.00 -1.24 -4.93 105.19 105.27 1j0q n GLY 77 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 0.68 -0.61 1.61 2.02 -1.26 -0.76 118.70 118.38 1j0q s GLU 78 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 1j0q s GLU 78 Cb 0.00 0.28 -0.12 0.00 0.10 0.00 0.00 34.13 34.38 1j0q s GLU 78 CO 0.00 -0.19 2.46 -0.11 0.02 0.00 0.00 175.26 177.44 1j0q n LEU 79 N 0.59 1.69 -4.62 1.80 -0.00 0.59 -1.84 117.00 115.22 1j0q n LEU 79 Ca -0.18 -0.12 -0.43 0.00 -0.00 0.00 0.00 56.01 55.28 1j0q n LEU 79 Cb 0.59 -1.33 -0.03 0.00 -0.00 0.00 0.00 43.42 42.66 1j0q n LEU 79 CO 0.22 -1.14 1.78 -2.28 -0.00 0.00 0.00 177.39 175.97 1j0q s HIS 80 N 10.28 1.20 0.55 1.96 5.65 0.50 -4.83 115.29 130.59 1j0q s HIS 80 Ca 1.12 0.25 0.39 0.00 0.25 0.00 0.00 55.06 57.07 1j0q s HIS 80 Cb -0.63 -4.02 1.59 0.00 -1.18 0.00 0.00 32.58 28.34 1j0q s HIS 80 CO 0.37 -4.52 1.76 -1.35 -0.65 0.00 0.00 174.74 170.36 1j0q h PRO 81 N 13.76 0.00 -1.02 2.88 0.11 -1.91 0.32 132.00 146.14 1j0q h PRO 81 Ca -0.43 -0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.94 1j0q h PRO 81 Cb 1.24 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1j0q h PRO 81 CO 0.96 0.00 0.68 0.22 -0.21 0.00 0.00 178.00 179.65 1j0q h ASP 82 N 0.00 0.33 -0.32 -2.05 3.58 -1.99 0.12 116.42 116.09 1j0q h ASP 82 Ca 0.64 0.06 0.03 0.00 0.42 0.00 0.00 57.03 58.17 1j0q h ASP 82 Cb 2.56 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.58 1j0q h ASP 82 CO -0.01 0.08 -0.19 -0.67 -2.88 0.00 0.00 179.24 175.58 1j0q n ASP 83 N -4.51 -0.34 0.00 2.28 2.03 0.10 -5.15 116.55 110.97 1j0q n ASP 83 Ca 0.24 0.67 0.14 0.00 0.52 0.00 0.00 54.79 56.36 1j0q n ASP 83 Cb 0.91 -0.13 0.81 0.00 -0.72 0.00 0.00 41.12 41.98 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82