#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 -5.01 118.33 112.20 1j0q n VAL 4 Ca 0.00 -0.38 -0.20 0.00 -2.04 0.00 0.00 64.34 61.72 1j0q n VAL 4 Cb 0.00 -0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 31.33 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 -4.74 0.49 -0.80 7.34 4.01 -1.26 -5.13 118.16 118.08 1j0q n LYS 5 Ca 0.04 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 1j0q n LYS 5 Cb 0.54 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.72 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1j0q n TYR 6 N -4.16 -2.18 -3.73 2.13 4.01 -1.26 -5.02 117.16 106.95 1j0q n TYR 6 Ca -0.36 1.16 -0.15 0.00 -0.16 0.00 0.00 57.90 58.39 1j0q n TYR 6 Cb 0.71 -2.28 -0.15 0.00 -0.31 0.00 0.00 39.34 37.30 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 -2.53 -0.14 0.01 -0.72 1.51 0.58 -4.82 117.35 111.24 1j0q s TYR 7 Ca 0.00 0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 56.38 1j0q s TYR 7 Cb 0.00 -0.16 -0.06 0.00 -0.11 0.00 0.00 41.96 41.64 1j0q s TYR 7 CO 0.00 -0.18 0.40 0.95 -1.11 0.00 0.00 175.55 175.61 1j0q s THR 8 N 1.45 5.04 0.38 -0.71 -4.23 -1.26 -0.22 115.64 116.09 1j0q s THR 8 Ca -0.06 0.79 0.17 0.00 -1.18 0.00 0.00 61.69 61.41 1j0q s THR 8 Cb -0.12 -3.70 0.38 0.00 1.34 0.00 0.00 72.50 70.40 1j0q s THR 8 CO -0.05 0.54 1.76 0.25 -0.54 0.00 0.00 174.62 176.58 1j0q h LEU 9 N 4.59 0.48 -0.75 4.79 6.46 -1.94 0.36 115.31 129.30 1j0q h LEU 9 Ca -0.51 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.41 1j0q h LEU 9 Cb 1.22 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 41.08 1j0q h LEU 9 CO 0.62 0.08 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.99 1j0q h GLU 10 N 0.42 -0.01 0.02 1.25 4.57 -2.00 0.18 114.58 119.01 1j0q h GLU 10 Ca 0.62 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 1j0q h GLU 10 Cb 1.50 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1j0q h GLU 10 CO -0.34 -0.00 -0.02 0.93 -1.18 0.00 0.00 179.01 178.39 1j0q h GLU 11 N -0.01 -0.05 -0.56 1.92 4.39 -0.80 -3.11 114.58 116.36 1j0q h GLU 11 Ca 0.12 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1j0q h GLU 11 Cb 0.32 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1j0q h GLU 11 CO -0.71 -0.03 0.03 0.82 -1.16 0.00 0.00 179.01 177.96 1j0q h ILE 12 N -0.05 1.25 0.18 3.13 2.04 0.31 0.17 117.51 124.54 1j0q h ILE 12 Ca 0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1j0q h ILE 12 Cb 0.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1j0q h ILE 12 CO -0.01 0.38 -0.15 1.56 0.00 0.00 0.00 178.15 179.93 1j0q h GLN 13 N 0.88 -0.33 -0.68 2.37 4.20 -0.75 -2.79 115.11 118.00 1j0q h GLN 13 Ca 0.17 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.05 1j0q h GLN 13 Cb 0.47 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.21 1j0q h GLN 13 CO 0.02 -0.22 0.06 -0.22 -0.67 0.00 0.00 178.83 177.80 1j0q h LYS 14 N -0.35 0.16 -3.71 1.46 1.63 -1.24 -2.31 116.57 112.21 1j0q h LYS 14 Ca -0.00 -0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 59.20 1j0q h LYS 14 Cb 0.32 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1j0q h LYS 14 CO -0.02 0.10 2.97 0.72 -3.45 0.00 0.00 179.45 179.77 1j0q n HIS 15 N -5.25 2.25 0.31 1.91 8.25 -0.04 -3.77 115.22 118.88 1j0q n HIS 15 Ca 0.11 -2.44 0.04 0.00 -0.26 0.00 0.00 57.72 55.17 1j0q n HIS 15 Cb 0.41 -2.09 -0.05 0.00 1.12 0.00 0.00 29.99 29.39 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 5.27 0.86 0.00 0.41 0.23 -0.87 -0.40 115.26 120.75 1j0q n ASN 16 Ca 0.56 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1j0q n ASN 16 Cb 0.28 1.07 0.00 0.00 -2.08 0.00 0.00 39.78 39.05 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 -1.30 0.84 -2.78 0.53 2.85 -0.69 -4.69 115.26 110.03 1j0q n ASN 17 Ca 0.01 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.20 1j0q n ASN 17 Cb 0.14 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.08 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1j0q n SER 18 N 0.00 7.25 0.08 1.20 2.88 -1.26 -3.05 113.62 120.72 1j0q n SER 18 Ca 0.00 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 1j0q n SER 18 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 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 2.86 0.00 -3.60 -1.46 4.76 -1.26 -5.15 118.16 114.31 1j0q n LYS 19 Ca 0.62 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 56.03 1j0q n LYS 19 Cb 0.51 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1j0q s SER 20 N -2.12 -0.16 -0.46 4.39 1.04 -1.17 -5.09 113.70 110.12 1j0q s SER 20 Ca 0.00 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.34 1j0q s SER 20 Cb 0.00 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.47 1j0q s SER 20 CO 0.00 -0.38 0.25 -0.89 0.98 0.00 0.00 173.24 173.20 1j0q s THR 21 N -2.63 3.25 0.18 2.02 2.01 -1.26 -1.70 115.64 117.51 1j0q s THR 21 Ca 0.10 -2.38 0.02 0.00 0.31 0.00 0.00 61.69 59.74 1j0q s THR 21 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1j0q s THR 21 CO -0.05 -0.73 0.33 0.26 -0.69 0.00 0.00 174.62 173.74 1j0q s TRP 22 N 0.74 3.48 0.17 4.92 0.52 0.46 -1.29 118.94 127.95 1j0q s TRP 22 Ca 0.11 0.17 -0.16 0.00 0.02 0.00 0.00 56.10 56.24 1j0q s TRP 22 Cb -0.22 -1.71 0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1j0q s TRP 22 CO -0.04 0.46 0.46 -0.48 0.02 0.00 0.00 176.95 177.36 1j0q s LEU 23 N -3.37 0.28 -0.26 2.99 0.05 0.18 -0.15 118.68 118.40 1j0q s LEU 23 Ca 0.36 -0.48 -0.08 0.00 0.05 0.00 0.00 54.13 53.98 1j0q s LEU 23 Cb -0.11 1.93 -0.03 0.00 -2.05 0.00 0.00 46.19 45.94 1j0q s LEU 23 CO 0.29 -0.97 0.09 -0.63 -0.55 0.00 0.00 176.35 174.58 1j0q s ILE 24 N -3.86 4.47 -0.44 1.48 -1.09 -0.95 -0.75 121.20 120.05 1j0q s ILE 24 Ca 0.08 -0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 1j0q s ILE 24 Cb 0.00 -3.12 0.12 0.00 -1.58 0.00 0.00 42.46 37.89 1j0q s ILE 24 CO -0.05 0.30 0.21 -0.76 -1.23 0.00 0.00 174.94 173.40 1j0q s LEU 25 N 1.63 3.58 -0.54 2.97 1.02 -0.90 -0.70 118.68 125.74 1j0q s LEU 25 Ca 0.06 -2.62 -0.01 0.00 0.02 0.00 0.00 54.13 51.58 1j0q s LEU 25 Cb -0.15 -1.34 -0.01 0.00 0.02 0.00 0.00 46.19 44.70 1j0q s LEU 25 CO 0.05 -0.28 0.46 1.41 0.02 0.00 0.00 176.35 178.01 1j0q n HIS 26 N 3.59 -1.10 0.00 0.29 8.25 -1.26 -3.96 115.22 121.02 1j0q n HIS 26 Ca 0.05 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1j0q n HIS 26 Cb 0.35 -3.39 0.00 0.00 1.12 0.00 0.00 29.99 28.07 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 -2.43 0.00 -1.20 4.41 4.02 -1.26 -4.93 117.16 115.78 1j0q n TYR 27 Ca -0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.49 1j0q n TYR 27 Cb 0.57 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.99 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1j0q s LYS 28 N 0.00 2.10 -0.08 -0.72 3.01 -1.25 -0.46 119.74 122.33 1j0q s LYS 28 Ca 0.00 1.20 0.03 0.00 -1.01 0.00 0.00 55.97 56.19 1j0q s LYS 28 Cb 0.00 -1.88 -0.02 0.00 -1.01 0.00 0.00 37.83 34.92 1j0q s LYS 28 CO 0.00 -1.77 -0.16 0.08 0.51 0.00 0.00 175.35 174.01 1j0q s VAL 29 N -2.88 2.86 -0.08 3.17 1.01 -0.04 -2.11 120.40 122.33 1j0q s VAL 29 Ca 0.62 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1j0q s VAL 29 Cb -0.18 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1j0q s VAL 29 CO 0.56 0.56 -0.05 -0.31 0.00 0.00 0.00 175.10 175.87 1j0q s TYR 30 N -0.25 1.11 -0.16 5.22 1.51 0.07 -1.33 117.35 123.51 1j0q s TYR 30 Ca 0.01 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 1j0q s TYR 30 Cb -0.13 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1j0q s TYR 30 CO 0.03 -0.38 0.05 0.34 -1.11 0.00 0.00 175.55 174.48 1j0q s ASP 31 N 1.56 5.56 -0.09 2.29 -1.08 -0.29 -0.64 116.67 123.97 1j0q s ASP 31 Ca 0.01 0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.28 1j0q s ASP 31 Cb -0.13 -1.89 0.29 0.00 -1.46 0.00 0.00 42.92 39.73 1j0q s ASP 31 CO -0.05 0.22 1.14 0.18 0.52 0.00 0.00 175.17 177.18 1j0q n LEU 32 N 3.21 1.62 -0.19 -1.34 4.77 -0.41 -4.69 117.00 119.97 1j0q n LEU 32 Ca -0.17 -2.61 -0.01 0.00 -0.03 0.00 0.00 56.01 53.19 1j0q n LEU 32 Cb 0.53 -0.26 0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1j0q n LEU 32 CO 0.34 0.75 0.98 0.74 -1.33 0.00 0.00 177.39 178.87 1j0q h THR 33 N 3.42 0.78 0.00 -5.08 2.02 -1.96 0.35 112.91 112.44 1j0q h THR 33 Ca -0.05 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 1j0q h THR 33 Cb 1.29 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1j0q h THR 33 CO 0.02 0.07 -0.42 0.50 0.37 0.00 0.00 175.52 176.06 1j0q h LYS 34 N 0.39 0.00 0.00 6.66 3.11 -1.96 -3.11 116.57 121.65 1j0q h LYS 34 Ca 0.29 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 58.05 1j0q h LYS 34 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1j0q h LYS 34 CO -0.30 0.42 -0.39 0.35 -2.81 0.00 0.00 179.45 176.73 1j0q h PHE 35 N 0.00 0.00 -0.98 1.91 3.57 -0.78 -2.99 116.94 117.67 1j0q h PHE 35 Ca -0.00 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.84 1j0q h PHE 35 Cb 0.81 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.38 1j0q h PHE 35 CO 0.00 0.39 0.37 -0.07 -2.23 0.00 0.00 178.31 176.76 1j0q h LEU 36 N 0.00 0.09 -0.74 0.59 3.38 -0.88 0.45 115.31 118.20 1j0q h LEU 36 Ca -0.00 0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.32 1j0q h LEU 36 Cb 1.06 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 1j0q h LEU 36 CO 0.05 -0.33 0.36 -0.33 0.09 0.00 0.00 178.44 178.27 1j0q h GLU 37 N 0.08 0.56 0.10 1.13 4.39 -1.72 -3.31 114.58 115.81 1j0q h GLU 37 Ca 0.73 -0.03 -0.36 0.00 0.34 0.00 0.00 59.36 60.03 1j0q h GLU 37 Cb 1.74 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.23 1j0q h GLU 37 CO -0.77 0.37 -2.01 0.39 -1.16 0.00 0.00 179.01 175.83 1j0q n GLU 38 N -4.89 0.73 -1.66 2.33 1.02 0.13 -4.99 120.64 113.31 1j0q n GLU 38 Ca 0.12 0.27 -0.55 0.00 -0.02 0.00 0.00 57.16 56.98 1j0q n GLU 38 Cb 0.32 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 29.98 1j0q n GLU 38 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1j0q n HIS 39 N -3.55 2.01 -0.31 -0.32 -0.00 0.36 -4.87 115.22 108.55 1j0q n HIS 39 Ca -0.34 0.43 0.13 0.00 0.46 0.00 0.00 57.72 58.40 1j0q n HIS 39 Cb 1.01 -2.50 0.37 0.00 -0.12 0.00 0.00 29.99 28.75 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 8.32 0.68 0.00 1.57 0.11 -1.93 0.18 132.00 140.94 1j0q h PRO 40 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1j0q h PRO 40 Cb 1.31 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j0q h PRO 40 CO 0.97 0.45 0.00 0.78 -0.21 0.00 0.00 178.00 179.99 1j0q h GLY 41 N 0.70 0.00 -0.00 -0.55 0.00 -1.99 -3.49 103.07 97.75 1j0q h GLY 41 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1j0q h GLY 41 CO -0.27 0.00 -0.00 0.61 0.00 0.00 0.00 176.54 176.88 1j0q n GLY 42 N -0.68 -1.68 0.09 4.60 0.00 0.65 -4.59 105.19 103.57 1j0q n GLY 42 Ca -0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 0.12 -0.88 1.61 4.81 -1.83 -3.35 114.58 115.06 1j0q h GLU 43 Ca -0.00 -0.20 0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1j0q h GLU 43 Cb 0.00 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 29.31 1j0q h GLU 43 CO 0.00 1.10 -0.41 0.93 -0.73 0.00 0.00 179.01 179.89 1j0q h GLU 44 N -0.75 -0.06 -0.49 1.92 5.08 -1.97 0.34 114.58 118.66 1j0q h GLU 44 Ca -0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1j0q h GLU 44 Cb 1.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1j0q h GLU 44 CO 0.06 -0.04 -0.03 -0.24 -1.00 0.00 0.00 179.01 177.76 1j0q h VAL 45 N -0.06 1.25 -0.47 3.13 3.04 -1.81 0.45 116.25 121.78 1j0q h VAL 45 Ca 0.28 -1.07 -0.03 0.00 -1.01 0.00 0.00 66.70 64.87 1j0q h VAL 45 Cb 0.56 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1j0q h VAL 45 CO -0.89 0.38 0.16 -0.07 -1.01 0.00 0.00 177.57 176.13 1j0q h LEU 46 N 0.77 0.68 -0.06 3.16 3.38 -0.79 -0.77 115.31 121.67 1j0q h LEU 46 Ca 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1j0q h LEU 46 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1j0q h LEU 46 CO 0.03 0.69 -0.03 0.03 0.09 0.00 0.00 178.44 179.24 1j0q h ARG 47 N 0.62 -0.03 -0.29 1.13 2.47 -0.03 0.32 114.38 118.58 1j0q h ARG 47 Ca 0.15 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.94 1j0q h ARG 47 Cb 0.25 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.51 1j0q h ARG 47 CO -0.01 -0.02 -0.14 1.49 0.56 0.00 0.00 179.97 181.85 1j0q h GLU 48 N -0.03 -0.10 -0.06 0.04 4.81 -0.80 -2.96 114.58 115.49 1j0q h GLU 48 Ca 0.03 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 1j0q h GLU 48 Cb 0.08 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1j0q h GLU 48 CO -0.08 -0.07 -0.75 1.96 -0.73 0.00 0.00 179.01 179.35 1j0q h GLN 49 N -0.10 0.34 -7.25 1.92 7.50 -0.73 -3.48 115.11 113.31 1j0q h GLN 49 Ca 0.15 -0.29 -0.52 0.00 0.50 0.00 0.00 58.65 58.50 1j0q h GLN 49 Cb 0.33 0.06 0.20 0.00 0.05 0.00 0.00 27.48 28.13 1j0q h GLN 49 CO -0.36 0.94 0.18 0.00 -1.50 0.00 0.00 178.83 178.10 1j0q n ALA 50 N -2.50 -0.98 -3.63 3.87 0.00 0.11 -3.46 120.51 113.93 1j0q n ALA 50 Ca -0.04 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.59 1j0q n ALA 50 Cb 0.72 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 0.34 -0.39 3.63 0.00 0.00 0.78 -4.77 105.19 104.79 1j0q n GLY 51 Ca 0.11 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.03 -0.41 0.06 -0.02 0.00 -1.22 -4.29 107.32 97.40 1j0q s GLY 52 Ca 0.20 0.71 -0.32 0.00 0.00 0.00 0.00 44.72 45.31 1j0q s GLY 52 CO 0.77 0.62 1.87 1.22 0.00 0.00 0.00 173.10 177.58 1j0q n ASP 53 N -0.54 3.90 -0.59 1.64 9.92 -1.26 -2.24 116.55 127.38 1j0q n ASP 53 Ca -0.08 0.97 0.06 0.00 -0.53 0.00 0.00 54.79 55.20 1j0q n ASP 53 Cb 0.63 -1.50 0.11 0.00 -0.64 0.00 0.00 41.12 39.72 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 6.21 2.66 0.41 2.24 0.00 0.12 -4.84 120.51 127.30 1j0q n ALA 54 Ca 0.19 -2.47 -0.16 0.00 0.00 0.00 0.00 53.44 51.01 1j0q n ALA 54 Cb 0.36 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 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 3.01 0.00 0.32 0.00 2.02 -1.63 -0.30 112.91 116.33 1j0q h THR 55 Ca -0.04 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1j0q h THR 55 Cb 1.25 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1j0q h THR 55 CO 0.02 0.00 -0.43 -0.33 0.37 0.00 0.00 175.52 175.15 1j0q h GLU 56 N -1.17 -0.77 -0.96 6.66 5.08 -1.91 -1.42 114.58 120.09 1j0q h GLU 56 Ca -0.11 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1j0q h GLU 56 Cb 0.80 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 30.10 1j0q h GLU 56 CO 0.18 -0.51 -0.52 -0.97 -1.00 0.00 0.00 179.01 176.18 1j0q h ASN 57 N -0.80 -1.92 0.02 1.42 -0.73 -1.92 0.24 115.58 111.89 1j0q h ASN 57 Ca -0.02 0.32 0.03 0.00 1.87 0.00 0.00 56.30 58.49 1j0q h ASN 57 Cb 0.74 0.88 -0.04 0.00 0.27 0.00 0.00 38.32 40.18 1j0q h ASN 57 CO -0.13 -0.26 -0.23 0.15 -0.37 0.00 0.00 177.43 176.59 1j0q h PHE 58 N -0.03 -0.62 0.47 0.67 3.57 -0.56 -1.34 116.94 119.11 1j0q h PHE 58 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1j0q h PHE 58 Cb 0.48 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1j0q h PHE 58 CO -0.96 -0.32 -0.23 0.93 -2.23 0.00 0.00 178.31 175.50 1j0q h GLU 59 N -0.38 -0.61 -0.74 1.11 4.39 -0.39 -3.12 114.58 114.84 1j0q h GLU 59 Ca 0.05 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.90 1j0q h GLU 59 Cb 0.45 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.12 1j0q h GLU 59 CO -0.19 -0.31 -0.31 -3.47 -1.16 0.00 0.00 179.01 173.57 1j0q n ASP 60 N -5.26 -0.52 0.00 1.42 2.03 0.76 -0.34 116.55 114.63 1j0q n ASP 60 Ca -0.11 1.30 0.03 0.00 0.52 0.00 0.00 54.79 56.53 1j0q n ASP 60 Cb 0.31 -0.28 0.16 0.00 -0.72 0.00 0.00 41.12 40.59 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 -5.07 0.00 -2.52 -0.67 8.25 -0.51 -4.84 115.22 109.86 1j0q n HIS 61 Ca 0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 1j0q n HIS 61 Cb 0.28 -0.37 0.01 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.75 0.45 3.72 -1.41 0.00 0.54 -4.99 105.19 102.76 1j0q n GLY 62 Ca 0.03 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.42 2.24 -0.90 1.61 8.25 -1.24 -4.94 115.22 116.82 1j0q n HIS 63 Ca -0.02 0.46 -0.32 0.00 -0.26 0.00 0.00 57.72 57.58 1j0q n HIS 63 Cb 0.52 -2.38 0.15 0.00 1.12 0.00 0.00 29.99 29.40 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 -0.65 3.22 0.33 0.41 1.04 -1.26 -4.75 113.70 112.05 1j0q s SER 64 Ca 0.64 2.30 0.13 0.00 0.48 0.00 0.00 55.95 59.50 1j0q s SER 64 Cb -0.47 -2.58 1.02 0.00 0.10 0.00 0.00 66.02 64.10 1j0q s SER 64 CO 0.55 -2.91 1.68 0.71 0.98 0.00 0.00 173.24 174.24 1j0q h THR 65 N -1.38 0.35 -0.22 2.02 1.35 -1.98 0.85 112.91 113.90 1j0q h THR 65 Ca -0.45 -0.13 -0.07 0.00 -0.55 0.00 0.00 66.41 65.22 1j0q h THR 65 Cb 1.28 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1j0q h THR 65 CO 0.44 0.07 -0.12 0.44 -0.25 0.00 0.00 175.52 176.09 1j0q h ASP 66 N 0.37 0.49 -0.53 5.36 5.19 -1.98 0.27 116.42 125.58 1j0q h ASP 66 Ca 0.71 -0.42 -0.03 0.00 -0.62 0.00 0.00 57.03 56.67 1j0q h ASP 66 Cb 1.55 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 1j0q h ASP 66 CO -0.58 0.80 0.23 0.00 -3.12 0.00 0.00 179.24 176.57 1j0q h ALA 67 N 0.70 0.69 -0.20 3.45 0.00 -1.71 0.43 119.26 122.63 1j0q h ALA 67 Ca 0.05 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1j0q h ALA 67 Cb 0.63 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1j0q h ALA 67 CO 0.04 0.29 -0.27 0.00 0.00 0.00 0.00 179.25 179.31 1j0q h ARG 68 N 0.72 -0.29 -0.23 0.00 -0.00 -0.62 0.16 114.38 114.13 1j0q h ARG 68 Ca 0.18 0.02 0.06 0.00 -0.50 0.00 0.00 59.98 59.74 1j0q h ARG 68 Cb 0.17 0.07 -0.06 0.00 0.00 0.00 0.00 29.97 30.14 1j0q h ARG 68 CO -0.02 -0.19 -0.20 1.49 0.00 0.00 0.00 179.97 181.05 1j0q h GLU 69 N -0.30 -0.19 -0.97 0.04 4.57 -0.05 0.34 114.58 118.01 1j0q h GLU 69 Ca 0.12 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.49 1j0q h GLU 69 Cb 0.49 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.02 1j0q h GLU 69 CO -0.37 -0.13 0.58 -0.07 -1.18 0.00 0.00 179.01 177.84 1j0q h LEU 70 N -0.20 0.74 -1.03 1.64 -0.00 -0.46 -0.24 115.31 115.76 1j0q h LEU 70 Ca 0.13 0.10 0.04 0.00 -0.00 0.00 0.00 57.88 58.15 1j0q h LEU 70 Cb 0.40 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 40.97 1j0q h LEU 70 CO -0.35 0.27 0.65 0.77 -0.00 0.00 0.00 178.44 179.78 1j0q h SER 71 N 0.74 1.08 -0.07 -0.43 4.64 0.15 0.18 113.55 119.83 1j0q h SER 71 Ca 0.55 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.89 1j0q h SER 71 Cb 0.84 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1j0q h SER 71 CO -0.38 0.73 -0.05 0.11 -0.87 0.00 0.00 176.83 176.37 1j0q h LYS 72 N 1.24 -0.05 -0.98 4.77 1.57 -0.59 -1.47 116.57 121.06 1j0q h LYS 72 Ca 0.40 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.34 1j0q h LYS 72 Cb 0.02 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 1j0q h LYS 72 CO -0.13 -0.04 0.62 1.15 -0.57 0.00 0.00 179.45 180.48 1j0q h THR 73 N -0.06 0.81 0.00 -0.16 2.02 -0.73 -1.16 112.91 113.63 1j0q h THR 73 Ca 0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1j0q h THR 73 Cb 0.12 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1j0q h THR 73 CO -0.11 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.43 1j0q n PHE 74 N -4.66 0.00 -1.61 3.16 3.72 0.48 -4.87 117.46 113.67 1j0q n PHE 74 Ca 0.20 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 57.13 1j0q n PHE 74 Cb 0.48 -0.39 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.39 0.78 0.00 4.37 2.08 -0.44 -1.14 119.36 123.61 1j0q n ILE 75 Ca 0.10 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.22 1j0q n ILE 75 Cb 0.28 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1j0q n ILE 76 N 1.83 0.00 -0.65 1.39 -6.64 -0.44 -4.87 119.36 109.98 1j0q n ILE 76 Ca 0.14 -0.20 0.00 0.00 -1.77 0.00 0.00 62.75 60.93 1j0q n ILE 76 Cb 0.27 0.87 0.00 0.00 -1.44 0.00 0.00 39.64 39.33 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1j0q n GLY 77 N 0.61 -1.59 3.12 3.28 0.00 -1.22 -5.00 105.19 104.39 1j0q n GLY 77 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 0.46 -0.06 1.61 8.01 -1.26 -0.86 118.70 124.87 1j0q s GLU 78 Ca 0.00 -0.25 -0.30 0.00 0.01 0.00 0.00 54.97 54.43 1j0q s GLU 78 Cb 0.00 0.20 -0.08 0.00 -4.31 0.00 0.00 34.13 29.94 1j0q s GLU 78 CO 0.00 -0.11 2.05 -0.11 0.01 0.00 0.00 175.26 177.11 1j0q n LEU 79 N 1.71 3.79 -4.63 1.80 7.94 0.39 -0.31 117.00 127.69 1j0q n LEU 79 Ca -0.21 0.68 -0.43 0.00 -1.11 0.00 0.00 56.01 54.94 1j0q n LEU 79 Cb 0.56 -1.52 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 1j0q n LEU 79 CO 0.21 -0.12 1.64 -2.28 -1.11 0.00 0.00 177.39 175.73 1j0q s HIS 80 N 5.72 1.45 0.34 1.96 5.65 0.69 -4.81 115.29 126.29 1j0q s HIS 80 Ca 0.94 0.20 0.21 0.00 0.25 0.00 0.00 55.06 56.66 1j0q s HIS 80 Cb -0.43 -4.05 1.16 0.00 -1.18 0.00 0.00 32.58 28.08 1j0q s HIS 80 CO 0.41 -4.29 1.61 -1.35 -0.65 0.00 0.00 174.74 170.47 1j0q h PRO 81 N 12.44 0.00 -1.11 2.88 0.11 -1.90 0.87 132.00 145.29 1j0q h PRO 81 Ca -0.42 0.00 0.32 0.00 0.11 0.00 0.00 66.00 66.01 1j0q h PRO 81 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1j0q h PRO 81 CO 0.97 0.00 0.79 0.22 -0.21 0.00 0.00 178.00 179.77 1j0q h ASP 82 N 0.00 0.06 -0.76 -2.05 3.58 -2.00 0.96 116.42 116.21 1j0q h ASP 82 Ca 0.00 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.55 1j0q h ASP 82 Cb 0.64 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1j0q h ASP 82 CO 0.00 0.01 0.50 -0.78 -2.88 0.00 0.00 179.24 176.09 1j0q h ASP 83 N 0.05 0.64 0.00 2.28 1.82 -1.17 -3.54 116.42 116.51 1j0q h ASP 83 Ca 0.54 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1j0q h ASP 83 Cb 2.06 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.95 1j0q h ASP 83 CO -0.05 0.40 0.00 0.54 -1.61 0.00 0.00 179.24 178.52