#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 0.03 0.00 0.31 -1.26 -3.67 118.33 113.74 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 1.17 -1.32 0.00 0.00 176.83 176.68 1j0q n LYS 5 N 7.94 0.00 -1.59 5.55 4.81 -1.26 -5.14 118.16 128.47 1j0q n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1j0q n LYS 5 Cb 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 35.03 34.62 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 -3.17 -4.16 -3.72 5.64 4.01 -1.24 -4.96 117.16 109.57 1j0q n TYR 6 Ca 0.00 2.25 -0.12 0.00 -0.16 0.00 0.00 57.90 59.87 1j0q n TYR 6 Cb 0.25 -3.47 -0.11 0.00 -0.31 0.00 0.00 39.34 35.70 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 -5.24 -0.48 0.17 -0.72 1.51 0.50 -4.71 117.35 108.37 1j0q s TYR 7 Ca 0.00 1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 57.02 1j0q s TYR 7 Cb 0.00 0.18 -0.07 0.00 -0.11 0.00 0.00 41.96 41.96 1j0q s TYR 7 CO 0.00 -0.28 0.53 0.95 -1.11 0.00 0.00 175.55 175.65 1j0q s THR 8 N 1.06 4.91 0.33 -0.71 -4.23 -1.26 -1.20 115.64 114.54 1j0q s THR 8 Ca -0.07 0.66 0.10 0.00 -1.18 0.00 0.00 61.69 61.20 1j0q s THR 8 Cb -0.07 -3.68 0.37 0.00 1.34 0.00 0.00 72.50 70.46 1j0q s THR 8 CO -0.08 0.13 1.59 0.25 -0.54 0.00 0.00 174.62 175.97 1j0q h LEU 9 N 3.21 -0.06 -0.78 4.79 6.46 -1.94 0.36 115.31 127.34 1j0q h LEU 9 Ca -0.48 0.26 0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1j0q h LEU 9 Cb 1.18 0.36 -0.12 0.00 -0.73 0.00 0.00 40.66 41.35 1j0q h LEU 9 CO 0.67 -0.35 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.60 1j0q h GLU 10 N 0.04 -0.11 0.22 1.25 4.57 -2.00 0.13 114.58 118.68 1j0q h GLU 10 Ca 0.70 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.88 1j0q h GLU 10 Cb 1.64 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 1j0q h GLU 10 CO -0.82 -0.07 -0.10 0.93 -1.18 0.00 0.00 179.01 177.76 1j0q h GLU 11 N -0.12 -0.28 -0.50 1.92 4.39 -0.83 -2.99 114.58 116.16 1j0q h GLU 11 Ca 0.22 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.01 1j0q h GLU 11 Cb 0.54 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.20 1j0q h GLU 11 CO -0.83 0.01 0.17 0.82 -1.16 0.00 0.00 179.01 178.03 1j0q h ILE 12 N -0.58 0.82 -0.17 3.13 1.08 0.40 0.24 117.51 122.43 1j0q h ILE 12 Ca -0.03 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 1j0q h ILE 12 Cb 0.43 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 1j0q h ILE 12 CO 0.05 0.06 -0.16 1.56 -0.69 0.00 0.00 178.15 178.97 1j0q h GLN 13 N 0.35 -0.17 -0.51 2.37 1.08 -0.89 -1.46 115.11 115.88 1j0q h GLN 13 Ca 0.24 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.55 1j0q h GLN 13 Cb 0.26 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.66 1j0q h GLN 13 CO -0.25 -0.11 0.06 -0.22 -0.95 0.00 0.00 178.83 177.36 1j0q h LYS 14 N -0.18 0.18 -3.72 1.46 1.63 -0.90 -3.04 116.57 112.00 1j0q h LYS 14 Ca 0.11 -0.01 -0.65 0.00 -0.85 0.00 0.00 60.65 59.25 1j0q h LYS 14 Cb 0.34 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1j0q h LYS 14 CO -0.28 0.12 3.14 0.72 -3.45 0.00 0.00 179.45 179.70 1j0q n HIS 15 N -5.16 2.67 -2.13 1.91 8.25 0.67 -3.31 115.22 118.12 1j0q n HIS 15 Ca 0.06 -2.69 0.01 0.00 -0.26 0.00 0.00 57.72 54.84 1j0q n HIS 15 Cb 0.27 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 29.09 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 5.38 0.22 -3.01 0.41 0.23 -1.09 -0.34 115.26 117.06 1j0q n ASN 16 Ca 0.58 -1.93 -0.00 0.00 -0.53 0.00 0.00 54.58 52.71 1j0q n ASN 16 Cb 0.31 -0.20 -0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1j0q n ASN 16 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1j0q s ASN 17 N -1.18 -1.26 0.00 0.53 2.47 -1.21 -4.95 114.94 109.34 1j0q s ASN 17 Ca 0.09 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.50 1j0q s ASN 17 Cb 0.10 1.62 0.00 0.00 -1.45 0.00 0.00 41.25 41.51 1j0q s ASN 17 CO -0.04 -0.11 0.00 -0.24 -3.72 0.00 0.00 177.10 172.98 1j0q n SER 18 N 3.88 0.00 0.00 -4.21 2.88 -1.26 -4.65 113.62 110.26 1j0q n SER 18 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1j0q n SER 18 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.00 0.00 -3.14 -1.46 4.76 -1.26 -4.96 118.16 112.10 1j0q n LYS 19 Ca 0.00 0.60 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1j0q n LYS 19 Cb 0.00 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.24 0.00 -4.05 4.39 7.64 -1.26 -5.05 113.62 113.04 1j0q n SER 20 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1j0q n SER 20 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.11 3.08 0.05 0.44 2.01 -1.26 -2.66 115.64 115.19 1j0q s THR 21 Ca 0.00 -2.72 -0.11 0.00 0.31 0.00 0.00 61.69 59.17 1j0q s THR 21 Cb 0.00 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.35 1j0q s THR 21 CO 0.00 -0.76 0.39 0.26 -0.69 0.00 0.00 174.62 173.82 1j0q s TRP 22 N 0.35 3.62 0.07 4.92 0.52 0.54 -1.41 118.94 127.55 1j0q s TRP 22 Ca 0.14 0.83 -0.08 0.00 0.02 0.00 0.00 56.10 57.02 1j0q s TRP 22 Cb -0.22 -2.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.91 1j0q s TRP 22 CO -0.04 0.56 0.16 -0.51 0.02 0.00 0.00 176.95 177.14 1j0q s LEU 23 N -1.65 1.57 -0.21 2.99 1.02 0.20 0.13 118.68 122.72 1j0q s LEU 23 Ca 0.30 -0.62 -0.08 0.00 0.02 0.00 0.00 54.13 53.75 1j0q s LEU 23 Cb -0.15 0.88 -0.04 0.00 0.02 0.00 0.00 46.19 46.90 1j0q s LEU 23 CO 0.16 -0.66 0.09 -0.63 0.02 0.00 0.00 176.35 175.33 1j0q s ILE 24 N -3.47 4.79 -0.15 -0.59 1.01 -0.56 -0.70 121.20 121.52 1j0q s ILE 24 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1j0q s ILE 24 Cb 0.03 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1j0q s ILE 24 CO -0.09 0.40 -0.12 -0.76 0.00 0.00 0.00 174.94 174.38 1j0q s LEU 25 N 0.87 1.70 -1.46 2.97 1.02 -0.37 -0.36 118.68 123.04 1j0q s LEU 25 Ca 0.05 -0.54 -0.05 0.00 0.02 0.00 0.00 54.13 53.60 1j0q s LEU 25 Cb -0.13 -1.11 0.02 0.00 0.02 0.00 0.00 46.19 44.99 1j0q s LEU 25 CO 0.03 -0.09 0.49 1.41 0.02 0.00 0.00 176.35 178.20 1j0q n HIS 26 N 4.80 -1.81 -0.93 0.29 8.25 -1.26 -0.86 115.22 123.69 1j0q n HIS 26 Ca -0.15 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1j0q n HIS 26 Cb 0.49 -3.90 0.00 0.00 1.12 0.00 0.00 29.99 27.70 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 -4.24 0.00 -3.96 4.41 4.19 -1.26 -5.02 117.16 111.28 1j0q n TYR 27 Ca -0.10 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.83 1j0q n TYR 27 Cb 0.60 -0.12 -0.04 0.00 0.49 0.00 0.00 39.34 40.28 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1j0q s LYS 28 N -0.08 3.34 -0.07 2.98 3.01 -0.04 -0.48 119.74 128.40 1j0q s LYS 28 Ca 0.00 -0.58 0.01 0.00 -1.01 0.00 0.00 55.97 54.39 1j0q s LYS 28 Cb 0.00 -2.94 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 1j0q s LYS 28 CO 0.00 0.55 -0.08 0.08 0.51 0.00 0.00 175.35 176.41 1j0q s VAL 29 N -1.63 3.61 -0.16 3.17 1.01 -0.21 -1.24 120.40 124.94 1j0q s VAL 29 Ca 0.34 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1j0q s VAL 29 Cb -0.12 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.85 1j0q s VAL 29 CO 0.27 0.60 0.02 -0.31 0.00 0.00 0.00 175.10 175.68 1j0q s TYR 30 N -0.79 1.02 0.01 5.22 2.02 0.12 -3.00 117.35 121.96 1j0q s TYR 30 Ca 0.12 -0.73 -0.16 0.00 -0.37 0.00 0.00 57.07 55.93 1j0q s TYR 30 Cb -0.11 -1.01 -0.06 0.00 -0.40 0.00 0.00 41.96 40.39 1j0q s TYR 30 CO 0.01 -0.55 0.46 0.34 -1.57 0.00 0.00 175.55 174.24 1j0q s ASP 31 N 1.86 6.87 0.00 2.29 -1.08 -1.23 -0.63 116.67 124.76 1j0q s ASP 31 Ca 0.00 1.04 0.00 0.00 -0.52 0.00 0.00 52.55 53.07 1j0q s ASP 31 Cb -0.16 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1j0q s ASP 31 CO -0.07 0.29 0.00 0.18 0.52 0.00 0.00 175.17 176.08 1j0q n LEU 32 N 1.94 0.00 0.00 -1.34 4.77 -0.50 -4.81 117.00 117.05 1j0q n LEU 32 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 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 0.39 -0.25 0.00 0.41 -1.33 0.00 0.00 177.39 176.61 1j0q n THR 33 N -1.75 0.00 -0.19 -5.08 -1.04 -1.26 -3.76 114.28 101.20 1j0q n THR 33 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1j0q n THR 33 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 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 0.83 0.00 -2.82 3.64 -1.97 -3.26 116.57 112.99 1j0q h LYS 34 Ca 0.00 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1j0q h LYS 34 Cb 0.00 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1j0q h LYS 34 CO 0.00 0.75 -0.16 0.35 -2.27 0.00 0.00 179.45 178.12 1j0q h PHE 35 N 0.74 0.00 -0.86 1.91 3.57 -1.95 -1.83 116.94 118.52 1j0q h PHE 35 Ca 0.18 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.93 1j0q h PHE 35 Cb 0.26 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.84 1j0q h PHE 35 CO 0.01 0.16 0.10 1.28 -2.23 0.00 0.00 178.31 177.63 1j0q n LEU 36 N -3.41 -0.03 0.33 0.59 4.77 -1.23 -0.43 117.00 117.59 1j0q n LEU 36 Ca -0.01 1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 57.29 1j0q n LEU 36 Cb 0.34 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1j0q n LEU 36 CO 0.31 -1.50 0.40 -0.33 -1.33 0.00 0.00 177.39 174.94 1j0q h GLU 37 N 0.00 -0.83 -1.18 3.23 4.39 -1.55 -3.15 114.58 115.49 1j0q h GLU 37 Ca 0.56 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.32 1j0q h GLU 37 Cb 1.23 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1j0q h GLU 37 CO -0.78 -0.55 0.00 0.39 -1.16 0.00 0.00 179.01 176.91 1j0q n GLU 38 N -4.93 0.81 -4.22 2.33 1.02 0.43 -4.76 120.64 111.31 1j0q n GLU 38 Ca -0.11 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.70 1j0q n GLU 38 Cb 0.34 -1.11 -0.16 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.15 2.77 0.34 -0.32 2.46 -0.66 -5.00 115.29 115.02 1j0q s HIS 39 Ca 0.00 -1.56 0.10 0.00 0.47 0.00 0.00 55.06 54.07 1j0q s HIS 39 Cb 0.00 -1.91 0.87 0.00 -0.13 0.00 0.00 32.58 31.41 1j0q s HIS 39 CO 0.00 -0.76 1.77 -1.35 -2.47 0.00 0.00 174.74 171.93 1j0q h PRO 40 N 7.82 0.61 0.00 2.88 0.11 -1.91 0.15 132.00 141.66 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 1.15 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1j0q h PRO 40 CO 0.62 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.23 1j0q n GLY 41 N -1.37 -0.92 1.83 -0.55 0.00 -1.26 -5.01 105.19 97.91 1j0q n GLY 41 Ca 0.24 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 0.08 -1.99 0.16 -0.02 0.00 0.53 -4.19 105.19 99.76 1j0q n GLY 42 Ca 0.06 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.28 -0.08 1.61 4.81 -1.83 -3.36 114.58 115.44 1j0q h GLU 43 Ca 0.01 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1j0q h GLU 43 Cb 0.54 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1j0q h GLU 43 CO 0.00 0.02 -0.05 0.39 -0.73 0.00 0.00 179.01 178.64 1j0q n GLU 44 N -4.97 -0.03 -0.15 1.92 4.71 -1.26 0.14 120.64 121.00 1j0q n GLU 44 Ca -0.06 0.26 -0.01 0.00 -0.01 0.00 0.00 57.16 57.34 1j0q n GLU 44 Cb 0.22 -0.39 0.23 0.00 -1.01 0.00 0.00 31.44 30.49 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 1j0q h VAL 45 N 0.00 1.20 -0.04 2.62 3.04 -1.75 0.10 116.25 121.42 1j0q h VAL 45 Ca 0.01 -0.60 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 1j0q h VAL 45 Cb 0.03 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1j0q h VAL 45 CO -0.07 0.25 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.66 1j0q h LEU 46 N 0.86 0.08 -0.55 3.16 3.38 -0.45 -3.08 115.31 118.70 1j0q h LEU 46 Ca 0.21 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1j0q h LEU 46 Cb 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1j0q h LEU 46 CO -0.03 0.39 0.33 -0.09 0.09 0.00 0.00 178.44 179.13 1j0q h ARG 47 N -0.24 0.64 -0.46 1.13 2.43 0.26 0.36 114.38 118.51 1j0q h ARG 47 Ca 0.01 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1j0q h ARG 47 Cb 0.35 -0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 29.66 1j0q h ARG 47 CO 0.00 0.42 -0.28 1.49 -1.51 0.00 0.00 179.97 180.10 1j0q h GLU 48 N 0.66 -0.18 0.03 0.20 4.81 -0.89 -2.55 114.58 116.66 1j0q h GLU 48 Ca 0.22 0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.24 1j0q h GLU 48 Cb 0.02 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1j0q h GLU 48 CO -0.10 -0.12 -1.04 1.96 -0.73 0.00 0.00 179.01 178.99 1j0q h GLN 49 N -0.18 0.09 -6.94 1.92 1.08 -1.29 -3.48 115.11 106.31 1j0q h GLN 49 Ca 0.20 -0.14 -0.56 0.00 -1.45 0.00 0.00 58.65 56.70 1j0q h GLN 49 Cb 0.51 0.05 0.15 0.00 -0.05 0.00 0.00 27.48 28.14 1j0q h GLN 49 CO -0.56 1.04 0.42 0.00 -0.95 0.00 0.00 178.83 178.77 1j0q n ALA 50 N -2.41 1.01 -3.64 3.87 0.00 0.12 -1.34 120.51 118.12 1j0q n ALA 50 Ca -0.02 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1j0q n ALA 50 Cb 0.94 -2.25 0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 0.96 -0.31 3.90 0.00 0.00 0.12 -4.75 105.19 105.11 1j0q n GLY 51 Ca 0.11 0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.36 -0.19 0.18 -0.02 0.00 -0.45 -4.28 107.32 98.19 1j0q s GLY 52 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.62 1j0q s GLY 52 CO 0.79 4.33 0.93 -0.35 0.00 0.00 0.00 173.10 178.80 1j0q s ASP 53 N -3.61 7.56 -0.05 1.64 -1.08 -1.26 -1.50 116.67 118.37 1j0q s ASP 53 Ca 0.26 1.85 0.07 0.00 -0.52 0.00 0.00 52.55 54.21 1j0q s ASP 53 Cb 0.01 -2.59 0.11 0.00 -1.46 0.00 0.00 42.92 38.99 1j0q s ASP 53 CO -0.01 0.07 1.05 0.00 0.52 0.00 0.00 175.17 176.80 1j0q n ALA 54 N 2.04 2.08 0.31 3.66 0.00 0.51 -4.84 120.51 124.28 1j0q n ALA 54 Ca -0.01 -1.61 -0.17 0.00 0.00 0.00 0.00 53.44 51.66 1j0q n ALA 54 Cb 0.48 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 4.24 0.36 0.22 0.00 2.02 -1.85 0.11 112.91 118.02 1j0q h THR 55 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1j0q h THR 55 Cb 1.24 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1j0q h THR 55 CO 0.00 0.00 -0.30 1.05 0.37 0.00 0.00 175.52 176.64 1j0q h GLU 56 N -0.80 -0.56 -0.61 6.66 4.11 -1.92 -1.44 114.58 120.02 1j0q h GLU 56 Ca -0.07 0.04 0.09 0.00 0.07 0.00 0.00 59.36 59.49 1j0q h GLU 56 Cb 0.64 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 1j0q h GLU 56 CO 0.08 -0.37 0.26 -0.97 0.07 0.00 0.00 179.01 178.08 1j0q h ASN 57 N -0.58 0.29 0.26 3.06 -0.73 -1.90 0.30 115.58 116.29 1j0q h ASN 57 Ca 0.01 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 1j0q h ASN 57 Cb 0.56 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1j0q h ASN 57 CO -0.11 0.18 -0.24 0.15 -0.37 0.00 0.00 177.43 177.04 1j0q h PHE 58 N 0.46 -0.62 -0.30 0.67 3.57 -0.47 -1.80 116.94 118.45 1j0q h PHE 58 Ca 0.30 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1j0q h PHE 58 Cb 0.34 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1j0q h PHE 58 CO -0.15 -0.35 -0.19 0.93 -2.23 0.00 0.00 178.31 176.32 1j0q h GLU 59 N -0.52 0.54 -0.57 1.11 4.39 -0.57 -2.62 114.58 116.34 1j0q h GLU 59 Ca -0.01 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1j0q h GLU 59 Cb 0.47 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1j0q h GLU 59 CO -0.04 0.71 0.31 0.22 -1.16 0.00 0.00 179.01 179.05 1j0q h ASP 60 N 0.49 0.47 0.00 1.42 3.58 -0.31 0.16 116.42 122.22 1j0q h ASP 60 Ca 0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1j0q h ASP 60 Cb 0.61 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1j0q h ASP 60 CO 0.04 0.32 0.00 1.41 -2.88 0.00 0.00 179.24 178.13 1j0q n HIS 61 N -4.83 0.00 -3.69 0.28 8.25 -0.69 -4.91 115.22 109.64 1j0q n HIS 61 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 1j0q n HIS 61 Cb 0.13 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.30 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 0.44 -0.44 3.70 -1.41 0.00 0.54 -4.86 105.19 103.16 1j0q n GLY 62 Ca 0.15 0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.59 2.58 -1.07 1.61 8.25 -1.19 -4.93 115.22 115.87 1j0q n HIS 63 Ca -0.10 0.13 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1j0q n HIS 63 Cb 0.60 -2.63 0.19 0.00 1.12 0.00 0.00 29.99 29.27 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 1.06 2.19 0.34 0.41 0.15 -1.26 -4.68 113.70 111.91 1j0q s SER 64 Ca 0.76 1.17 0.13 0.00 0.70 0.00 0.00 55.95 58.72 1j0q s SER 64 Cb -0.57 -1.84 1.04 0.00 -1.71 0.00 0.00 66.02 62.94 1j0q s SER 64 CO 0.35 -3.40 1.67 0.71 1.20 0.00 0.00 173.24 173.77 1j0q h THR 65 N -2.08 0.34 0.17 6.45 1.35 -1.98 0.33 112.91 117.50 1j0q h THR 65 Ca -0.56 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 1j0q h THR 65 Cb 1.33 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1j0q h THR 65 CO 0.56 0.07 -0.08 0.44 -0.25 0.00 0.00 175.52 176.26 1j0q h ASP 66 N 0.37 -0.19 -0.16 5.36 5.19 -1.99 0.29 116.42 125.30 1j0q h ASP 66 Ca 0.71 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.89 1j0q h ASP 66 Cb 1.57 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.13 1j0q h ASP 66 CO -0.59 0.14 0.09 0.00 -3.12 0.00 0.00 179.24 175.76 1j0q h ALA 67 N 0.22 0.20 -0.49 3.45 0.00 -1.78 -0.29 119.26 120.57 1j0q h ALA 67 Ca -0.02 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1j0q h ALA 67 Cb 0.41 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1j0q h ALA 67 CO 0.04 -0.27 -0.26 0.00 0.00 0.00 0.00 179.25 178.75 1j0q h ARG 68 N 0.16 -0.15 -0.28 0.00 3.08 -0.82 0.14 114.38 116.52 1j0q h ARG 68 Ca 0.06 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1j0q h ARG 68 Cb 0.06 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1j0q h ARG 68 CO -0.01 -0.10 0.01 1.49 -1.07 0.00 0.00 179.97 180.30 1j0q h GLU 69 N -0.15 0.10 -0.80 0.04 4.57 -0.04 -0.97 114.58 117.33 1j0q h GLU 69 Ca 0.22 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.54 1j0q h GLU 69 Cb 0.50 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.98 1j0q h GLU 69 CO -0.58 0.07 0.37 -0.07 -1.18 0.00 0.00 179.01 177.61 1j0q h LEU 70 N 0.10 0.40 -0.69 1.64 -0.00 -0.07 -0.20 115.31 116.50 1j0q h LEU 70 Ca 0.13 0.10 0.05 0.00 -0.00 0.00 0.00 57.88 58.17 1j0q h LEU 70 Cb 0.17 0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.82 1j0q h LEU 70 CO -0.21 0.16 0.40 0.28 -0.00 0.00 0.00 178.44 179.06 1j0q h SER 71 N 0.53 0.61 -0.06 -0.43 0.02 0.58 0.57 113.55 115.37 1j0q h SER 71 Ca 0.44 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.45 1j0q h SER 71 Cb 0.65 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 1j0q h SER 71 CO -0.39 0.40 -0.30 0.11 -1.14 0.00 0.00 176.83 175.52 1j0q h LYS 72 N 0.74 -0.40 -0.17 3.45 1.57 -0.42 -0.12 116.57 121.24 1j0q h LYS 72 Ca 0.30 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1j0q h LYS 72 Cb 0.15 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1j0q h LYS 72 CO -0.17 -0.26 -0.10 0.00 -0.57 0.00 0.00 179.45 178.35 1j0q h THR 73 N -0.41 1.17 0.00 -0.16 1.03 -1.02 -1.40 112.91 112.12 1j0q h THR 73 Ca 0.08 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 1j0q h THR 73 Cb 0.53 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 1j0q h THR 73 CO -0.29 0.23 0.00 0.49 -0.01 0.00 0.00 175.52 175.94 1j0q n PHE 74 N -4.29 0.00 -1.64 0.00 3.72 0.13 -4.86 117.46 110.52 1j0q n PHE 74 Ca -0.00 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.91 1j0q n PHE 74 Cb 0.25 -0.33 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 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 -1.33 0.06 0.00 4.37 2.08 -0.18 -3.48 119.36 120.88 1j0q n ILE 75 Ca 0.09 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1j0q n ILE 75 Cb 0.19 -1.28 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 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 3.25 0.00 0.00 1.39 -5.35 -1.16 -4.98 119.36 112.52 1j0q n ILE 76 Ca 0.18 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1j0q n ILE 76 Cb 0.24 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 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 1.02 -0.13 3.11 3.28 0.00 -1.25 -4.97 105.19 106.25 1j0q n GLY 77 Ca 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 0.67 -0.26 1.61 8.01 -1.26 -1.05 118.70 124.42 1j0q s GLU 78 Ca 0.00 -1.21 -0.29 0.00 0.01 0.00 0.00 54.97 53.48 1j0q s GLU 78 Cb 0.00 0.04 -0.01 0.00 -4.31 0.00 0.00 34.13 29.85 1j0q s GLU 78 CO 0.00 -0.07 1.42 -1.17 0.01 0.00 0.00 175.26 175.45 1j0q s LEU 79 N -2.84 3.91 -0.08 1.80 0.20 0.37 -0.37 118.68 121.67 1j0q s LEU 79 Ca 0.07 1.41 -0.30 0.00 0.69 0.00 0.00 54.13 56.00 1j0q s LEU 79 Cb 0.05 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.23 1j0q s LEU 79 CO -0.07 -1.12 1.55 -2.28 -0.29 0.00 0.00 176.35 174.14 1j0q s HIS 80 N 4.61 2.21 -0.73 5.38 5.65 -0.34 -4.88 115.29 127.19 1j0q s HIS 80 Ca 0.62 0.41 0.09 0.00 0.25 0.00 0.00 55.06 56.43 1j0q s HIS 80 Cb -0.20 -3.81 0.46 0.00 -1.18 0.00 0.00 32.58 27.85 1j0q s HIS 80 CO 0.25 -3.29 1.28 -2.30 -0.65 0.00 0.00 174.74 170.03 1j0q n PRO 81 N 6.97 0.05 -0.01 2.88 -0.02 -1.26 -0.79 135.00 142.82 1j0q n PRO 81 Ca 0.16 0.51 0.23 0.00 -2.02 0.00 0.00 63.50 62.38 1j0q n PRO 81 Cb 0.43 -1.66 0.72 0.00 -0.02 0.00 0.00 33.50 32.98 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 0.00 0.00 2.55 3.58 -2.00 -2.84 116.42 117.71 1j0q h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1j0q h ASP 82 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1j0q h ASP 82 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 1j0q n ASP 83 N -3.99 0.00 0.00 2.28 -0.08 0.02 -5.17 116.55 109.61 1j0q n ASP 83 Ca 0.11 0.79 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 1j0q n ASP 83 Cb 0.74 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.71 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21