#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 -0.08 0.00 0.24 -1.26 -5.01 118.33 112.22 1j0q n VAL 4 Ca 0.00 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.34 62.03 1j0q n VAL 4 Cb 0.00 -1.12 -0.12 0.00 -1.47 0.00 0.00 33.84 31.13 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 -1.71 0.64 -1.35 7.34 5.02 -1.26 -5.11 118.16 121.73 1j0q n LYS 5 Ca 0.01 0.40 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1j0q n LYS 5 Cb 0.05 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.32 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 -4.02 -3.28 -3.76 2.13 4.01 -1.26 -5.03 117.16 105.95 1j0q n TYR 6 Ca -0.37 1.80 -0.13 0.00 -0.16 0.00 0.00 57.90 59.04 1j0q n TYR 6 Cb 0.85 -2.91 -0.14 0.00 -0.31 0.00 0.00 39.34 36.84 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 -4.69 -0.21 0.18 -0.72 1.51 0.41 -4.78 117.35 109.05 1j0q s TYR 7 Ca 0.00 0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 56.54 1j0q s TYR 7 Cb 0.00 -0.02 -0.06 0.00 -0.11 0.00 0.00 41.96 41.77 1j0q s TYR 7 CO 0.00 -0.16 0.44 0.95 -1.11 0.00 0.00 175.55 175.67 1j0q s THR 8 N 0.93 5.09 0.33 -0.71 -4.23 -1.26 -0.13 115.64 115.65 1j0q s THR 8 Ca -0.07 0.16 0.11 0.00 -1.18 0.00 0.00 61.69 60.71 1j0q s THR 8 Cb -0.09 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.45 1j0q s THR 8 CO -0.05 -0.02 1.74 0.25 -0.54 0.00 0.00 174.62 176.00 1j0q h LEU 9 N 2.65 0.65 -0.65 4.79 6.46 -1.94 0.13 115.31 127.40 1j0q h LEU 9 Ca -0.46 0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.48 1j0q h LEU 9 Cb 1.17 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 41.03 1j0q h LEU 9 CO 0.71 0.12 -0.52 -0.08 -0.62 0.00 0.00 178.44 178.05 1j0q h GLU 10 N 0.57 -0.16 -0.07 1.25 4.57 -2.00 0.13 114.58 118.86 1j0q h GLU 10 Ca 0.63 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.82 1j0q h GLU 10 Cb 1.24 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1j0q h GLU 10 CO -0.44 -0.11 0.04 0.93 -1.18 0.00 0.00 179.01 178.25 1j0q h GLU 11 N -0.17 0.10 -0.74 1.92 4.39 -1.48 -3.17 114.58 115.43 1j0q h GLU 11 Ca 0.11 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1j0q h GLU 11 Cb 0.44 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1j0q h GLU 11 CO -0.70 0.18 0.39 0.82 -1.16 0.00 0.00 179.01 178.54 1j0q h ILE 12 N -0.00 1.23 0.16 3.13 2.04 0.25 0.42 117.51 124.74 1j0q h ILE 12 Ca 0.02 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1j0q h ILE 12 Cb 0.11 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1j0q h ILE 12 CO -0.00 0.26 -0.27 1.56 0.00 0.00 0.00 178.15 179.69 1j0q h GLN 13 N 1.03 -0.49 -0.75 2.37 4.20 -0.86 -2.65 115.11 117.96 1j0q h GLN 13 Ca 0.26 0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.17 1j0q h GLN 13 Cb 0.06 0.11 -0.11 0.00 0.30 0.00 0.00 27.48 27.84 1j0q h GLN 13 CO -0.04 -0.33 0.20 -0.22 -0.67 0.00 0.00 178.83 177.77 1j0q h LYS 14 N -0.51 0.28 -3.83 1.46 1.63 -1.28 -2.93 116.57 111.39 1j0q h LYS 14 Ca 0.02 -0.02 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1j0q h LYS 14 Cb 0.52 -0.06 0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1j0q h LYS 14 CO -0.13 0.18 2.84 0.72 -3.45 0.00 0.00 179.45 179.62 1j0q n HIS 15 N -5.14 2.20 -1.90 1.91 8.25 0.05 -3.47 115.22 117.12 1j0q n HIS 15 Ca 0.15 -2.33 0.00 0.00 -0.26 0.00 0.00 57.72 55.27 1j0q n HIS 15 Cb 0.48 -2.02 0.00 0.00 1.12 0.00 0.00 29.99 29.57 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 5.59 0.00 -0.56 0.41 0.23 -1.11 -0.58 115.26 119.25 1j0q n ASN 16 Ca 0.54 -1.62 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 1j0q n ASN 16 Cb 0.29 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 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 0.00 0.46 -3.54 0.53 2.85 -1.23 -4.96 115.26 109.37 1j0q n ASN 17 Ca 0.00 -0.28 -0.40 0.00 -0.11 0.00 0.00 54.58 53.78 1j0q n ASN 17 Cb 0.62 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.64 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 -0.72 7.26 0.00 1.20 2.88 -1.26 -4.09 113.62 118.89 1j0q n SER 18 Ca 0.00 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 1j0q n SER 18 Cb 0.00 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.01 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 2.95 0.00 -3.64 -1.46 4.76 -1.26 -5.12 118.16 114.39 1j0q n LYS 19 Ca 0.61 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.95 1j0q n LYS 19 Cb 0.28 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.40 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1j0q s SER 20 N 1.00 -0.79 -0.42 4.39 0.15 -1.26 -5.12 113.70 111.65 1j0q s SER 20 Ca 0.00 1.37 -0.18 0.00 0.70 0.00 0.00 55.95 57.84 1j0q s SER 20 Cb 0.00 1.36 0.02 0.00 -1.71 0.00 0.00 66.02 65.69 1j0q s SER 20 CO 0.00 -0.23 0.51 -0.89 1.20 0.00 0.00 173.24 173.83 1j0q s THR 21 N 1.01 5.00 0.12 6.45 2.01 -1.26 -4.13 115.64 124.84 1j0q s THR 21 Ca -0.05 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1j0q s THR 21 Cb -0.05 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1j0q s THR 21 CO -0.10 -0.45 0.10 0.26 -0.69 0.00 0.00 174.62 173.74 1j0q s TRP 22 N 2.37 3.16 0.13 4.92 0.52 0.26 -1.46 118.94 128.84 1j0q s TRP 22 Ca 0.16 0.03 -0.08 0.00 0.02 0.00 0.00 56.10 56.23 1j0q s TRP 22 Cb -0.16 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1j0q s TRP 22 CO 0.15 0.52 0.23 -0.48 0.02 0.00 0.00 176.95 177.39 1j0q s LEU 23 N -2.70 1.20 -0.25 2.99 0.05 0.10 -0.00 118.68 120.07 1j0q s LEU 23 Ca 0.30 -0.82 -0.09 0.00 0.05 0.00 0.00 54.13 53.57 1j0q s LEU 23 Cb -0.11 1.06 -0.04 0.00 -2.05 0.00 0.00 46.19 45.05 1j0q s LEU 23 CO 0.22 -0.82 0.12 -0.63 -0.55 0.00 0.00 176.35 174.70 1j0q s ILE 24 N -3.93 4.89 -0.40 1.48 1.01 -0.46 -0.54 121.20 123.25 1j0q s ILE 24 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1j0q s ILE 24 Cb 0.04 -3.29 0.12 0.00 0.01 0.00 0.00 42.46 39.35 1j0q s ILE 24 CO -0.04 0.33 0.19 -0.76 0.00 0.00 0.00 174.94 174.65 1j0q s LEU 25 N 1.41 2.66 -0.44 2.97 1.02 -0.76 -0.57 118.68 124.98 1j0q s LEU 25 Ca 0.06 -2.32 -0.00 0.00 0.02 0.00 0.00 54.13 51.89 1j0q s LEU 25 Cb -0.15 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 45.05 1j0q s LEU 25 CO 0.06 -0.31 0.37 1.41 0.02 0.00 0.00 176.35 177.89 1j0q n HIS 26 N 3.95 -0.80 0.00 0.29 8.25 -1.26 -3.97 115.22 121.67 1j0q n HIS 26 Ca 0.05 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1j0q n HIS 26 Cb 0.37 -3.10 0.00 0.00 1.12 0.00 0.00 29.99 28.38 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 -1.12 4.41 4.01 -1.26 -4.93 117.16 116.09 1j0q n TYR 27 Ca -0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.30 1j0q n TYR 27 Cb 0.56 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.20 -4.90 -0.72 4.01 -1.25 -0.68 118.16 114.82 1j0q n LYS 28 Ca 0.00 0.14 -0.33 0.00 -0.51 0.00 0.00 58.31 57.61 1j0q n LYS 28 Cb 0.00 -2.39 -0.13 0.00 -0.51 0.00 0.00 35.03 31.99 1j0q n LYS 28 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1j0q s VAL 29 N -2.10 3.01 -0.15 -0.18 1.01 -0.13 -1.82 120.40 120.03 1j0q s VAL 29 Ca 0.73 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1j0q s VAL 29 Cb -0.29 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1j0q s VAL 29 CO 0.51 0.58 0.02 -0.31 0.00 0.00 0.00 175.10 175.90 1j0q s TYR 30 N -0.55 0.95 -0.17 5.22 1.51 0.30 -1.00 117.35 123.61 1j0q s TYR 30 Ca 0.08 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.36 1j0q s TYR 30 Cb -0.11 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1j0q s TYR 30 CO 0.01 -0.51 0.34 0.34 -1.11 0.00 0.00 175.55 174.62 1j0q s ASP 31 N 1.88 6.46 0.01 2.29 -1.08 -0.36 -0.72 116.67 125.16 1j0q s ASP 31 Ca 0.01 0.54 -0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1j0q s ASP 31 Cb -0.15 -2.21 -0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1j0q s ASP 31 CO -0.07 0.04 -0.01 0.18 0.52 0.00 0.00 175.17 175.83 1j0q n LEU 32 N 3.82 0.19 0.00 -1.34 4.77 -0.54 -4.65 117.00 119.25 1j0q n LEU 32 Ca -0.10 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1j0q n LEU 32 Cb 0.52 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1j0q n LEU 32 CO 0.40 -0.53 0.00 0.41 -1.33 0.00 0.00 177.39 176.34 1j0q n THR 33 N -2.67 0.00 -0.26 -5.08 -1.04 -1.25 -1.09 114.28 102.89 1j0q n THR 33 Ca -0.00 0.00 0.32 0.00 -2.04 0.00 0.00 64.05 62.33 1j0q n THR 33 Cb 0.01 0.00 0.74 0.00 -1.82 0.00 0.00 70.33 69.26 1j0q n THR 33 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1j0q h LYS 34 N 0.00 0.01 0.00 -2.82 6.56 -1.95 -0.36 116.57 118.01 1j0q h LYS 34 Ca 0.00 -0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.51 1j0q h LYS 34 Cb 0.00 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1j0q h LYS 34 CO 0.00 0.00 -0.60 0.35 -2.06 0.00 0.00 179.45 177.15 1j0q h PHE 35 N 0.01 0.00 -0.98 -1.35 3.57 -1.49 -3.38 116.94 113.31 1j0q h PHE 35 Ca 0.50 0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.15 1j0q h PHE 35 Cb 2.01 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.66 1j0q h PHE 35 CO -0.00 0.35 0.60 -0.07 -2.23 0.00 0.00 178.31 176.97 1j0q h LEU 36 N 0.00 0.84 -0.12 0.59 3.38 -1.28 0.24 115.31 118.97 1j0q h LEU 36 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1j0q h LEU 36 Cb 1.29 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1j0q h LEU 36 CO 0.04 0.40 0.02 -0.08 0.09 0.00 0.00 178.44 178.91 1j0q h GLU 37 N 0.89 0.19 -0.61 1.13 4.81 -1.75 -3.02 114.58 116.22 1j0q h GLU 37 Ca 0.52 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1j0q h GLU 37 Cb 0.63 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1j0q h GLU 37 CO -0.31 0.38 0.39 1.49 -0.73 0.00 0.00 179.01 180.22 1j0q h GLU 38 N -0.03 0.81 -6.17 1.92 4.81 -1.06 -3.45 114.58 111.41 1j0q h GLU 38 Ca 0.04 -0.06 -0.72 0.00 -0.13 0.00 0.00 59.36 58.49 1j0q h GLU 38 Cb 0.28 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.50 1j0q h GLU 38 CO 0.00 0.55 0.89 1.58 -0.73 0.00 0.00 179.01 181.31 1j0q n HIS 39 N -4.64 2.05 -0.30 0.92 -0.00 0.60 -4.87 115.22 108.97 1j0q n HIS 39 Ca 0.04 0.49 0.13 0.00 0.46 0.00 0.00 57.72 58.84 1j0q n HIS 39 Cb 0.03 -2.47 0.37 0.00 -0.12 0.00 0.00 29.99 27.80 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 7.24 0.68 0.00 1.57 0.11 -1.91 0.22 132.00 139.91 1j0q h PRO 40 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 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 0.95 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 179.60 1j0q n GLY 41 N -1.41 -1.08 0.09 -0.55 0.00 -1.26 -5.01 105.19 95.96 1j0q n GLY 41 Ca 0.19 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.15 -1.81 0.39 -0.02 0.00 0.76 -4.50 105.19 99.86 1j0q n GLY 42 Ca 0.02 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.09 -0.91 -0.55 1.61 4.81 -1.80 -3.36 114.58 114.30 1j0q h GLU 43 Ca -0.00 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1j0q h GLU 43 Cb 0.09 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 1j0q h GLU 43 CO 0.00 -0.59 -0.32 0.39 -0.73 0.00 0.00 179.01 177.76 1j0q n GLU 44 N -5.42 -0.24 -0.29 1.92 -0.58 -1.26 0.24 120.64 115.01 1j0q n GLU 44 Ca -0.12 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1j0q n GLU 44 Cb 0.38 -1.36 0.13 0.00 -0.57 0.00 0.00 31.44 30.03 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1j0q h VAL 45 N 0.00 1.02 -0.24 2.62 -1.51 -1.79 0.14 116.25 116.50 1j0q h VAL 45 Ca 0.09 -0.31 -0.17 0.00 -1.23 0.00 0.00 66.70 65.07 1j0q h VAL 45 Cb 0.23 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 1j0q h VAL 45 CO -0.52 0.16 -0.53 0.25 -1.23 0.00 0.00 177.57 175.71 1j0q h LEU 46 N 0.90 0.88 -0.36 4.19 5.85 -0.35 -1.72 115.31 124.70 1j0q h LEU 46 Ca 0.36 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 1j0q h LEU 46 Cb 0.18 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1j0q h LEU 46 CO -0.18 1.27 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.98 1j0q h ARG 47 N 0.52 0.73 -0.22 1.25 2.43 -0.02 0.17 114.38 119.24 1j0q h ARG 47 Ca 0.00 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1j0q h ARG 47 Cb 1.14 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1j0q h ARG 47 CO 0.12 0.90 0.10 1.49 -1.51 0.00 0.00 179.97 181.06 1j0q h GLU 48 N 0.52 0.21 -0.19 0.20 4.57 -0.65 -2.13 114.58 117.10 1j0q h GLU 48 Ca 0.09 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 1j0q h GLU 48 Cb 0.65 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1j0q h GLU 48 CO 0.04 0.14 -0.44 1.96 -1.18 0.00 0.00 179.01 179.53 1j0q h GLN 49 N 0.22 0.47 -6.83 1.92 1.08 -1.23 -3.47 115.11 107.26 1j0q h GLN 49 Ca 0.09 -0.25 -0.57 0.00 -1.45 0.00 0.00 58.65 56.47 1j0q h GLN 49 Cb 0.03 0.01 0.16 0.00 -0.05 0.00 0.00 27.48 27.63 1j0q h GLN 49 CO -0.07 0.82 0.14 0.00 -0.95 0.00 0.00 178.83 178.77 1j0q n ALA 50 N -2.50 0.21 -3.61 3.87 0.00 0.57 -2.21 120.51 116.85 1j0q n ALA 50 Ca -0.02 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1j0q n ALA 50 Cb 0.53 -2.12 0.05 0.00 0.00 0.00 0.00 19.45 17.91 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 1.27 -0.31 0.00 0.00 0.00 0.99 -4.75 105.19 102.39 1j0q n GLY 51 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.42 0.95 3.76 -0.02 0.00 -0.94 -4.24 105.19 103.27 1j0q n GLY 52 Ca -0.30 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.44 5.55 -0.00 1.61 2.15 -1.26 -1.35 116.67 122.93 1j0q s ASP 53 Ca 0.00 2.70 0.03 0.00 0.43 0.00 0.00 52.55 55.71 1j0q s ASP 53 Cb 0.00 -2.63 0.05 0.00 -0.30 0.00 0.00 42.92 40.04 1j0q s ASP 53 CO 0.00 -1.38 1.02 0.00 -0.17 0.00 0.00 175.17 174.64 1j0q n ALA 54 N -0.78 2.05 0.04 3.66 0.00 0.27 -4.75 120.51 121.00 1j0q n ALA 54 Ca 0.09 -1.17 -0.11 0.00 0.00 0.00 0.00 53.44 52.25 1j0q n ALA 54 Cb 0.45 -0.53 -0.05 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 6.93 0.80 0.78 0.00 2.02 -1.74 0.17 112.91 121.86 1j0q h THR 55 Ca -0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1j0q h THR 55 Cb 1.45 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1j0q h THR 55 CO 0.01 0.00 -0.37 -0.33 0.37 0.00 0.00 175.52 175.20 1j0q h GLU 56 N -0.13 -1.00 -0.85 6.66 5.08 -1.93 -1.18 114.58 121.23 1j0q h GLU 56 Ca 0.04 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1j0q h GLU 56 Cb 0.17 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 1j0q h GLU 56 CO -0.09 -0.66 0.46 -0.97 -1.00 0.00 0.00 179.01 176.75 1j0q h ASN 57 N -1.10 0.59 0.35 1.42 -0.73 -1.91 0.17 115.58 114.37 1j0q h ASN 57 Ca -0.11 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1j0q h ASN 57 Cb 0.81 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.37 1j0q h ASN 57 CO 0.17 0.27 -0.22 0.15 -0.37 0.00 0.00 177.43 177.44 1j0q h PHE 58 N 0.68 -0.56 -0.03 0.67 3.57 -0.52 -1.38 116.94 119.37 1j0q h PHE 58 Ca 0.45 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 1j0q h PHE 58 Cb 0.58 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1j0q h PHE 58 CO -0.08 -0.34 -0.01 1.49 -2.23 0.00 0.00 178.31 177.15 1j0q h GLU 59 N -0.54 0.06 -0.91 1.11 4.57 -0.23 -2.93 114.58 115.71 1j0q h GLU 59 Ca -0.04 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.24 1j0q h GLU 59 Cb 0.45 -0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.90 1j0q h GLU 59 CO 0.04 0.40 -0.41 -3.47 -1.18 0.00 0.00 179.01 174.39 1j0q n ASP 60 N -4.87 -0.70 0.00 1.04 2.03 0.51 0.14 116.55 114.70 1j0q n ASP 60 Ca -0.07 1.60 0.01 0.00 0.52 0.00 0.00 54.79 56.85 1j0q n ASP 60 Cb 0.20 -0.32 0.07 0.00 -0.72 0.00 0.00 41.12 40.35 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 -5.28 0.00 -3.53 -0.67 8.25 -0.52 -4.87 115.22 108.60 1j0q n HIS 61 Ca 0.07 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.31 1j0q n HIS 61 Cb 0.33 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.51 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 0.21 -0.46 3.69 -1.41 0.00 0.12 -4.89 105.19 102.45 1j0q n GLY 62 Ca 0.02 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1j0q n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j0q s HIS 63 N -3.30 2.17 0.59 1.61 3.76 -1.12 -4.94 115.29 114.06 1j0q s HIS 63 Ca 0.53 0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.42 1j0q s HIS 63 Cb -0.23 -4.10 0.13 0.00 1.11 0.00 0.00 32.58 29.49 1j0q s HIS 63 CO 0.69 -4.53 0.80 0.45 -0.85 0.00 0.00 174.74 171.30 1j0q n SER 64 N 5.84 0.09 0.26 1.40 2.88 -1.26 -4.69 113.62 118.14 1j0q n SER 64 Ca 0.17 -1.31 -0.18 0.00 -1.33 0.00 0.00 58.87 56.23 1j0q n SER 64 Cb 0.39 -0.61 -0.10 0.00 -0.75 0.00 0.00 64.21 63.15 1j0q n SER 64 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1j0q h THR 65 N -1.43 0.03 -0.05 2.46 1.35 -1.98 0.88 112.91 114.17 1j0q h THR 65 Ca -0.26 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.54 1j0q h THR 65 Cb 0.72 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 1j0q h THR 65 CO 0.19 0.00 -0.27 0.44 -0.25 0.00 0.00 175.52 175.63 1j0q h ASP 66 N -0.95 0.09 -0.54 5.36 5.19 -1.98 0.37 116.42 123.96 1j0q h ASP 66 Ca -0.05 -0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.26 1j0q h ASP 66 Cb 0.84 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 1j0q h ASP 66 CO -0.10 0.36 0.02 0.00 -3.12 0.00 0.00 179.24 176.40 1j0q h ALA 67 N 1.65 0.72 0.36 3.45 0.00 -1.86 0.85 119.26 124.43 1j0q h ALA 67 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j0q h ALA 67 Cb 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1j0q h ALA 67 CO 0.04 0.52 -0.38 0.00 0.00 0.00 0.00 179.25 179.43 1j0q h ARG 68 N 0.81 -0.74 -0.60 0.00 -0.00 0.18 0.16 114.38 114.20 1j0q h ARG 68 Ca 0.16 0.05 0.12 0.00 -0.50 0.00 0.00 59.98 59.81 1j0q h ARG 68 Cb 0.50 0.17 -0.11 0.00 0.00 0.00 0.00 29.97 30.52 1j0q h ARG 68 CO 0.02 -0.50 -0.15 0.93 0.00 0.00 0.00 179.97 180.27 1j0q h GLU 69 N -0.77 -0.00 -0.65 0.04 4.39 -0.30 0.22 114.58 117.51 1j0q h GLU 69 Ca -0.03 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.76 1j0q h GLU 69 Cb 0.70 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.28 1j0q h GLU 69 CO -0.08 -0.00 0.30 -0.07 -1.16 0.00 0.00 179.01 177.99 1j0q h LEU 70 N -0.00 0.37 -0.92 1.33 -0.00 -0.58 -1.53 115.31 113.96 1j0q h LEU 70 Ca 0.29 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 58.23 1j0q h LEU 70 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.06 1j0q h LEU 70 CO -0.62 0.22 0.60 0.77 -0.00 0.00 0.00 178.44 179.42 1j0q h SER 71 N 0.52 1.07 -0.01 -0.43 4.64 0.24 0.23 113.55 119.81 1j0q h SER 71 Ca 0.32 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.63 1j0q h SER 71 Cb 0.33 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1j0q h SER 71 CO -0.26 0.78 -0.19 0.11 -0.87 0.00 0.00 176.83 176.40 1j0q h LYS 72 N 1.26 -0.29 -0.84 4.77 1.57 -0.44 -1.22 116.57 121.36 1j0q h LYS 72 Ca 0.34 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.28 1j0q h LYS 72 Cb -0.13 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1j0q h LYS 72 CO -0.07 -0.20 0.55 1.15 -0.57 0.00 0.00 179.45 180.31 1j0q h THR 73 N -0.30 0.82 0.00 -0.16 2.02 -0.25 -0.90 112.91 114.13 1j0q h THR 73 Ca 0.06 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1j0q h THR 73 Cb 0.38 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1j0q h THR 73 CO -0.18 0.11 -0.11 0.49 0.37 0.00 0.00 175.52 176.20 1j0q n PHE 74 N -4.53 0.14 -1.68 3.16 3.72 0.70 -4.90 117.46 114.07 1j0q n PHE 74 Ca 0.16 0.04 -0.44 0.00 -0.05 0.00 0.00 57.45 57.16 1j0q n PHE 74 Cb 0.50 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 38.49 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 -1.62 0.64 0.00 4.37 5.41 -0.35 -1.22 119.36 126.59 1j0q n ILE 75 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1j0q n ILE 75 Cb 0.35 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 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 2.49 0.00 -2.04 1.39 -5.35 -0.17 -4.89 119.36 110.78 1j0q n ILE 76 Ca 0.13 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1j0q n ILE 76 Cb 0.32 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 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 0.35 -1.30 3.08 3.28 0.00 -1.20 -4.92 105.19 104.48 1j0q n GLY 77 Ca 0.00 -0.93 -0.09 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 -0.90 0.55 0.17 1.61 2.02 -1.26 -0.96 118.70 119.93 1j0q s GLU 78 Ca 0.00 -0.87 -0.32 0.00 0.02 0.00 0.00 54.97 53.79 1j0q s GLU 78 Cb 0.00 0.20 -0.12 0.00 0.10 0.00 0.00 34.13 34.31 1j0q s GLU 78 CO 0.00 -0.12 1.73 -0.11 0.02 0.00 0.00 175.26 176.78 1j0q n LEU 79 N 0.70 3.81 -4.48 1.80 7.94 0.15 -0.44 117.00 126.47 1j0q n LEU 79 Ca -0.18 1.04 -0.35 0.00 -1.11 0.00 0.00 56.01 55.41 1j0q n LEU 79 Cb 0.59 -1.53 0.09 0.00 0.53 0.00 0.00 43.42 43.09 1j0q n LEU 79 CO 0.24 0.08 0.12 1.57 -1.11 0.00 0.00 177.39 178.29 1j0q n HIS 80 N 4.34 -0.65 0.04 1.96 -0.00 0.81 -4.81 115.22 116.91 1j0q n HIS 80 Ca 0.17 0.33 -0.16 0.00 -0.00 0.00 0.00 57.72 58.06 1j0q n HIS 80 Cb 0.34 -1.92 -0.06 0.00 -0.00 0.00 0.00 29.99 28.36 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 -0.64 0.57 0.00 1.57 0.11 -1.92 -3.18 132.00 128.49 1j0q h PRO 81 Ca -0.45 -0.56 0.00 0.00 0.11 0.00 0.00 66.00 65.10 1j0q h PRO 81 Cb 1.33 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.59 1j0q h PRO 81 CO 0.41 1.18 0.00 -3.47 -0.21 0.00 0.00 178.00 175.92 1j0q n ASP 82 N -3.82 0.00 0.08 -2.05 2.03 -1.26 -3.46 116.55 108.07 1j0q n ASP 82 Ca -0.08 0.11 -0.23 0.00 0.52 0.00 0.00 54.79 55.11 1j0q n ASP 82 Cb 0.82 -0.27 -0.15 0.00 -0.72 0.00 0.00 41.12 40.80 1j0q n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1j0q h ASP 83 N 0.00 0.62 0.00 1.67 1.82 -1.93 -3.53 116.42 115.07 1j0q h ASP 83 Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 1j0q h ASP 83 Cb 0.10 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1j0q h ASP 83 CO 0.00 1.70 0.00 0.54 -1.61 0.00 0.00 179.24 179.87