#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0q s VAL 4 N 0.00 2.19 -0.20 0.00 -7.23 -1.26 -5.01 120.40 108.88 1j0q s VAL 4 Ca 0.00 0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.07 1j0q s VAL 4 Cb 0.00 -2.25 -0.08 0.00 0.56 0.00 0.00 36.38 34.61 1j0q s VAL 4 CO 0.00 -0.08 -0.29 1.17 -0.31 0.00 0.00 175.10 175.59 1j0q n LYS 5 N -4.48 0.54 -0.32 4.82 3.00 -1.26 -5.12 118.16 115.34 1j0q n LYS 5 Ca 0.06 0.29 0.02 0.00 -0.00 0.00 0.00 58.31 58.68 1j0q n LYS 5 Cb 0.54 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.06 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1j0q n TYR 6 N -4.43 -0.87 -3.66 5.64 4.01 -1.26 -5.06 117.16 111.52 1j0q n TYR 6 Ca -0.24 0.48 -0.10 0.00 -0.16 0.00 0.00 57.90 57.87 1j0q n TYR 6 Cb 0.59 -0.98 -0.11 0.00 -0.31 0.00 0.00 39.34 38.53 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 -3.85 -0.67 0.53 -0.72 2.02 -1.06 -4.95 117.35 108.65 1j0q s TYR 7 Ca 0.00 1.34 -0.12 0.00 -0.37 0.00 0.00 57.07 57.92 1j0q s TYR 7 Cb 0.00 0.21 -0.06 0.00 -0.40 0.00 0.00 41.96 41.71 1j0q s TYR 7 CO 0.00 -0.43 0.94 0.95 -1.57 0.00 0.00 175.55 175.44 1j0q s THR 8 N 2.41 4.70 0.34 -0.71 -4.23 -1.26 -0.57 115.64 116.31 1j0q s THR 8 Ca -0.02 0.85 0.09 0.00 -1.18 0.00 0.00 61.69 61.43 1j0q s THR 8 Cb -0.12 -3.80 0.33 0.00 1.34 0.00 0.00 72.50 70.25 1j0q s THR 8 CO -0.12 -0.86 1.80 0.25 -0.54 0.00 0.00 174.62 175.15 1j0q h LEU 9 N 0.39 0.68 -0.11 4.79 6.46 -1.94 0.18 115.31 125.75 1j0q h LEU 9 Ca -0.46 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.40 1j0q h LEU 9 Cb 1.19 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.03 1j0q h LEU 9 CO 0.62 0.26 -0.31 -0.08 -0.62 0.00 0.00 178.44 178.31 1j0q h GLU 10 N 0.67 -0.29 -0.41 1.25 4.81 -1.99 0.11 114.58 118.73 1j0q h GLU 10 Ca 0.54 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.83 1j0q h GLU 10 Cb 0.97 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 1j0q h GLU 10 CO -0.31 -0.19 0.19 0.93 -0.73 0.00 0.00 179.01 178.90 1j0q h GLU 11 N -0.30 0.38 -0.41 1.92 4.39 -1.58 -0.13 114.58 118.86 1j0q h GLU 11 Ca 0.02 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1j0q h GLU 11 Cb 0.37 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1j0q h GLU 11 CO -0.27 0.25 0.20 0.82 -1.16 0.00 0.00 179.01 178.86 1j0q h ILE 12 N 0.40 0.97 -0.10 3.13 2.04 -0.24 0.30 117.51 124.02 1j0q h ILE 12 Ca 0.18 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1j0q h ILE 12 Cb 0.10 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1j0q h ILE 12 CO -0.13 0.07 0.03 1.56 0.00 0.00 0.00 178.15 179.69 1j0q h GLN 13 N 0.41 0.08 -0.66 2.37 4.20 -0.39 -2.65 115.11 118.48 1j0q h GLN 13 Ca 0.17 -0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.02 1j0q h GLN 13 Cb 0.08 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 27.73 1j0q h GLN 13 CO -0.12 0.05 -0.05 -0.22 -0.67 0.00 0.00 178.83 177.82 1j0q h LYS 14 N 0.08 0.07 -4.04 1.46 1.63 0.29 -3.00 116.57 113.07 1j0q h LYS 14 Ca 0.04 -0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.18 1j0q h LYS 14 Cb 0.02 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1j0q h LYS 14 CO -0.04 0.05 2.86 0.72 -3.45 0.00 0.00 179.45 179.58 1j0q n HIS 15 N -5.35 2.65 -0.96 1.91 8.25 0.94 -3.52 115.22 119.14 1j0q n HIS 15 Ca 0.10 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 55.08 1j0q n HIS 15 Cb 0.37 -2.17 0.00 0.00 1.12 0.00 0.00 29.99 29.32 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 6.22 0.08 -3.56 0.41 0.23 -1.02 -0.30 115.26 117.32 1j0q n ASN 16 Ca 0.53 -1.04 -0.10 0.00 -0.53 0.00 0.00 54.58 53.44 1j0q n ASN 16 Cb 0.36 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.01 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 -0.04 -0.38 -1.66 0.53 2.47 -1.21 -4.87 114.94 109.78 1j0q s ASN 17 Ca 0.00 0.33 -0.09 0.00 0.42 0.00 0.00 52.86 53.52 1j0q s ASN 17 Cb 0.00 0.33 0.09 0.00 -1.45 0.00 0.00 41.25 40.23 1j0q s ASN 17 CO 0.00 -0.41 0.24 -1.20 -3.72 0.00 0.00 177.10 172.00 1j0q n SER 18 N 0.53 -0.14 0.00 -4.21 7.64 -1.26 -4.37 113.62 111.80 1j0q n SER 18 Ca -0.10 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1j0q n SER 18 Cb 0.59 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1j0q n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1j0q n LYS 19 N -4.34 0.00 -2.96 1.43 3.00 -1.26 -5.09 118.16 108.94 1j0q n LYS 19 Ca -0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.14 1j0q n LYS 19 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.64 1j0q n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1j0q n SER 20 N -1.75 -1.05 -4.06 3.14 7.64 -1.26 -5.07 113.62 111.21 1j0q n SER 20 Ca 0.00 -1.53 -0.32 0.00 1.01 0.00 0.00 58.87 58.03 1j0q n SER 20 Cb 0.00 1.69 -0.15 0.00 -1.01 0.00 0.00 64.21 64.74 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 -2.24 2.12 0.18 0.44 2.01 -1.26 -2.43 115.64 114.47 1j0q s THR 21 Ca 0.15 -1.60 0.07 0.00 0.31 0.00 0.00 61.69 60.62 1j0q s THR 21 Cb -0.02 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1j0q s THR 21 CO 0.03 -0.03 0.01 0.26 -0.69 0.00 0.00 174.62 174.21 1j0q s TRP 22 N 1.12 2.86 0.15 4.92 0.52 0.59 -1.15 118.94 127.96 1j0q s TRP 22 Ca -0.09 -0.14 -0.10 0.00 0.02 0.00 0.00 56.10 55.79 1j0q s TRP 22 Cb -0.20 -1.37 0.00 0.00 -1.15 0.00 0.00 33.47 30.75 1j0q s TRP 22 CO -0.05 0.53 0.30 -0.48 0.02 0.00 0.00 176.95 177.27 1j0q s LEU 23 N -3.04 0.91 -0.27 2.99 0.05 0.09 -0.00 118.68 119.39 1j0q s LEU 23 Ca 0.28 -0.73 -0.05 0.00 0.05 0.00 0.00 54.13 53.67 1j0q s LEU 23 Cb -0.09 1.32 0.01 0.00 -2.05 0.00 0.00 46.19 45.38 1j0q s LEU 23 CO 0.19 -0.87 0.04 -0.63 -0.55 0.00 0.00 176.35 174.52 1j0q s ILE 24 N -3.92 3.71 -0.44 1.48 1.01 -0.87 -0.57 121.20 121.61 1j0q s ILE 24 Ca 0.12 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1j0q s ILE 24 Cb 0.03 -2.87 0.12 0.00 0.01 0.00 0.00 42.46 39.75 1j0q s ILE 24 CO -0.04 0.16 0.18 -0.76 0.00 0.00 0.00 174.94 174.49 1j0q s LEU 25 N 1.47 3.95 -0.50 2.97 1.02 -0.84 -0.70 118.68 126.05 1j0q s LEU 25 Ca 0.03 -2.58 -0.00 0.00 0.02 0.00 0.00 54.13 51.60 1j0q s LEU 25 Cb -0.17 -1.45 0.00 0.00 0.02 0.00 0.00 46.19 44.59 1j0q s LEU 25 CO 0.01 -0.30 0.42 1.41 0.02 0.00 0.00 176.35 177.91 1j0q n HIS 26 N 3.67 -0.92 0.00 0.29 8.25 -1.26 -3.91 115.22 121.33 1j0q n HIS 26 Ca 0.05 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 1j0q n HIS 26 Cb 0.36 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 28.22 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 -2.36 0.00 -1.36 4.41 4.01 -1.26 -4.93 117.16 115.67 1j0q n TYR 27 Ca -0.11 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.28 1j0q n TYR 27 Cb 0.57 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.70 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1j0q s LYS 28 N 0.00 1.99 -0.06 -0.72 3.01 -1.25 -1.16 119.74 121.54 1j0q s LYS 28 Ca 0.00 1.86 0.03 0.00 -1.01 0.00 0.00 55.97 56.85 1j0q s LYS 28 Cb 0.00 -1.80 -0.02 0.00 -1.01 0.00 0.00 37.83 34.99 1j0q s LYS 28 CO 0.00 -1.97 -0.13 0.08 0.51 0.00 0.00 175.35 173.83 1j0q s VAL 29 N -1.88 3.13 -0.11 3.17 1.01 -0.16 -1.99 120.40 123.57 1j0q s VAL 29 Ca 0.76 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1j0q s VAL 29 Cb -0.32 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1j0q s VAL 29 CO 0.46 0.58 -0.09 -0.31 0.00 0.00 0.00 175.10 175.75 1j0q s TYR 30 N -0.55 1.52 -0.13 5.22 1.51 0.26 -0.85 117.35 124.33 1j0q s TYR 30 Ca 0.08 -0.74 -0.11 0.00 -1.01 0.00 0.00 57.07 55.29 1j0q s TYR 30 Cb -0.12 -1.23 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 1j0q s TYR 30 CO 0.01 -0.49 0.24 0.34 -1.11 0.00 0.00 175.55 174.55 1j0q s ASP 31 N 1.53 6.45 0.00 2.29 -1.08 -0.60 -0.74 116.67 124.52 1j0q s ASP 31 Ca 0.02 0.52 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1j0q s ASP 31 Cb -0.13 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1j0q s ASP 31 CO -0.07 0.24 0.74 0.18 0.52 0.00 0.00 175.17 176.78 1j0q n LEU 32 N 2.84 1.27 -0.34 -1.34 4.77 -0.30 -4.76 117.00 119.14 1j0q n LEU 32 Ca -0.15 -1.27 0.15 0.00 -0.03 0.00 0.00 56.01 54.71 1j0q n LEU 32 Cb 0.53 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.96 1j0q n LEU 32 CO 0.37 0.32 1.14 0.74 -1.33 0.00 0.00 177.39 178.62 1j0q h THR 33 N 0.70 0.57 -0.14 -5.08 2.02 -1.95 0.68 112.91 109.72 1j0q h THR 33 Ca 0.00 -0.20 -0.20 0.00 0.77 0.00 0.00 66.41 66.77 1j0q h THR 33 Cb 0.52 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1j0q h THR 33 CO 0.00 0.11 -0.73 0.50 0.37 0.00 0.00 175.52 175.76 1j0q h LYS 34 N 0.59 0.65 0.00 6.66 3.11 -1.95 -3.28 116.57 122.36 1j0q h LYS 34 Ca 0.60 -0.51 -0.07 0.00 -2.81 0.00 0.00 60.65 57.85 1j0q h LYS 34 Cb 1.09 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1j0q h LYS 34 CO -0.46 1.13 -0.36 0.35 -2.81 0.00 0.00 179.45 177.31 1j0q h PHE 35 N 0.45 0.00 -0.99 1.91 3.57 -0.12 -2.91 116.94 118.85 1j0q h PHE 35 Ca -0.04 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.81 1j0q h PHE 35 Cb 1.34 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.90 1j0q h PHE 35 CO 0.07 0.36 0.30 -0.07 -2.23 0.00 0.00 178.31 176.73 1j0q h LEU 36 N 0.00 -0.05 -0.47 0.59 3.38 -0.90 0.47 115.31 118.34 1j0q h LEU 36 Ca -0.00 0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.30 1j0q h LEU 36 Cb 0.76 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1j0q h LEU 36 CO 0.05 -0.38 0.13 -0.33 0.09 0.00 0.00 178.44 177.99 1j0q h GLU 37 N 0.02 0.28 0.11 1.13 5.08 -1.73 -3.32 114.58 116.15 1j0q h GLU 37 Ca 0.72 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.73 1j0q h GLU 37 Cb 1.74 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1j0q h GLU 37 CO -0.83 0.18 -1.80 0.93 -1.00 0.00 0.00 179.01 176.49 1j0q h GLU 38 N 0.28 0.23 -6.03 2.33 5.08 -0.39 -3.48 114.58 112.61 1j0q h GLU 38 Ca 0.23 -0.40 -0.70 0.00 -1.00 0.00 0.00 59.36 57.49 1j0q h GLU 38 Cb 0.26 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1j0q h GLU 38 CO -0.26 1.08 1.29 1.58 -1.00 0.00 0.00 179.01 181.69 1j0q n HIS 39 N -3.41 1.66 -0.26 4.33 -0.00 0.44 -4.85 115.22 113.13 1j0q n HIS 39 Ca -0.24 0.39 0.21 0.00 0.46 0.00 0.00 57.72 58.54 1j0q n HIS 39 Cb 1.05 -2.49 0.54 0.00 -0.12 0.00 0.00 29.99 28.98 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 10.72 0.34 -0.36 1.57 0.11 -1.92 0.14 132.00 142.60 1j0q h PRO 40 Ca -0.29 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.82 1j0q h PRO 40 Cb 1.33 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1j0q h PRO 40 CO 1.02 0.22 0.24 0.78 -0.21 0.00 0.00 178.00 180.05 1j0q h GLY 41 N 0.35 0.44 0.00 -0.55 0.00 -1.98 -3.49 103.07 97.84 1j0q h GLY 41 Ca 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1j0q h GLY 41 CO -0.18 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1j0q n GLY 42 N -1.50 1.13 0.12 4.60 0.00 0.50 -4.68 105.19 105.36 1j0q n GLY 42 Ca 0.03 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0q n GLU 43 N -0.10 0.67 -0.23 1.61 0.00 -1.26 -4.07 120.64 117.26 1j0q n GLU 43 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 57.16 57.48 1j0q n GLU 43 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 31.44 29.72 1j0q n GLU 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1j0q h GLU 44 N -0.43 -0.17 -0.88 5.31 3.07 -1.94 0.33 114.58 119.87 1j0q h GLU 44 Ca -0.41 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.56 1j0q h GLU 44 Cb 1.71 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.58 1j0q h GLU 44 CO -0.07 -0.11 0.52 -0.39 -1.40 0.00 0.00 179.01 177.56 1j0q h VAL 45 N -0.17 0.91 -0.10 3.13 -1.51 -1.83 -0.45 116.25 116.23 1j0q h VAL 45 Ca 0.22 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 65.37 1j0q h VAL 45 Cb 0.56 -0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.70 1j0q h VAL 45 CO -0.73 0.16 -0.03 0.25 -1.23 0.00 0.00 177.57 175.98 1j0q h LEU 46 N 0.85 0.20 -0.44 4.19 7.12 -0.77 -3.11 115.31 123.35 1j0q h LEU 46 Ca 0.43 -0.39 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 1j0q h LEU 46 Cb 0.40 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 1j0q h LEU 46 CO -0.25 0.54 0.22 -0.09 -0.13 0.00 0.00 178.44 178.72 1j0q h ARG 47 N -0.15 0.63 -0.74 1.25 2.43 0.19 0.30 114.38 118.30 1j0q h ARG 47 Ca 0.02 -0.09 0.16 0.00 -0.81 0.00 0.00 59.98 59.26 1j0q h ARG 47 Cb 0.46 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 29.76 1j0q h ARG 47 CO 0.01 0.54 -0.12 1.49 -1.51 0.00 0.00 179.97 180.38 1j0q h GLU 48 N 0.57 0.03 0.03 0.20 4.57 -1.13 -1.38 114.58 117.48 1j0q h GLU 48 Ca 0.15 -0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.11 1j0q h GLU 48 Cb 0.11 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1j0q h GLU 48 CO -0.02 0.02 -1.03 1.96 -1.18 0.00 0.00 179.01 178.76 1j0q h GLN 49 N 0.03 0.08 -7.09 1.92 1.08 -1.27 -3.48 115.11 106.38 1j0q h GLN 49 Ca 0.38 -0.13 -0.53 0.00 -1.45 0.00 0.00 58.65 56.91 1j0q h GLN 49 Cb 0.61 0.05 0.12 0.00 -0.05 0.00 0.00 27.48 28.21 1j0q h GLN 49 CO -0.73 1.03 0.49 0.00 -0.95 0.00 0.00 178.83 178.67 1j0q s ALA 50 N -2.79 2.55 -0.93 3.87 0.00 0.99 -2.97 121.76 122.48 1j0q s ALA 50 Ca -0.01 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1j0q s ALA 50 Cb 0.09 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1j0q s ALA 50 CO 0.83 -1.23 0.79 0.41 0.00 0.00 0.00 175.76 176.56 1j0q n GLY 51 N 0.59 -0.16 3.58 0.00 0.00 0.99 -4.77 105.19 105.43 1j0q n GLY 51 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.79 -0.44 0.07 -0.02 0.00 -1.16 -4.14 107.32 97.83 1j0q s GLY 52 Ca 0.13 1.04 -0.31 0.00 0.00 0.00 0.00 44.72 45.58 1j0q s GLY 52 CO 0.54 0.23 1.71 0.99 0.00 0.00 0.00 173.10 176.58 1j0q s ASP 53 N -2.85 6.56 -0.18 1.64 1.11 -1.26 -2.05 116.67 119.64 1j0q s ASP 53 Ca 0.14 2.54 0.13 0.00 0.18 0.00 0.00 52.55 55.54 1j0q s ASP 53 Cb 0.06 -2.56 0.38 0.00 1.07 0.00 0.00 42.92 41.87 1j0q s ASP 53 CO -0.06 -0.92 1.20 0.00 1.18 0.00 0.00 175.17 176.57 1j0q n ALA 54 N 5.85 3.23 0.32 5.23 0.00 0.12 -4.86 120.51 130.41 1j0q n ALA 54 Ca 0.17 -3.07 -0.13 0.00 0.00 0.00 0.00 53.44 50.41 1j0q n ALA 54 Cb 0.40 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 1.00 0.00 0.07 0.00 2.02 -1.85 0.15 112.91 114.31 1j0q h THR 55 Ca -0.01 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1j0q h THR 55 Cb 1.03 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1j0q h THR 55 CO 0.00 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 175.29 1j0q h GLU 56 N -1.07 -0.45 -0.88 6.66 5.08 -1.90 -1.17 114.58 120.85 1j0q h GLU 56 Ca -0.09 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.51 1j0q h GLU 56 Cb 0.65 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.84 1j0q h GLU 56 CO 0.14 -0.30 -0.08 -0.97 -1.00 0.00 0.00 179.01 176.81 1j0q h ASN 57 N -0.46 -0.58 -0.01 1.42 -1.24 -1.92 0.20 115.58 112.98 1j0q h ASN 57 Ca 0.04 0.25 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 1j0q h ASN 57 Cb 0.51 0.47 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 1j0q h ASN 57 CO -0.19 -0.28 0.00 0.15 -1.29 0.00 0.00 177.43 175.82 1j0q h PHE 58 N 0.03 0.01 0.86 0.67 3.57 0.51 -2.57 116.94 120.03 1j0q h PHE 58 Ca 0.48 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.93 1j0q h PHE 58 Cb 0.85 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.60 1j0q h PHE 58 CO -0.56 0.17 -0.42 0.93 -2.23 0.00 0.00 178.31 176.21 1j0q h GLU 59 N -0.16 -1.12 -0.38 1.11 4.39 -0.62 -3.25 114.58 114.55 1j0q h GLU 59 Ca 0.00 0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.81 1j0q h GLU 59 Cb 0.17 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 1j0q h GLU 59 CO -0.00 -0.75 -0.22 -3.47 -1.16 0.00 0.00 179.01 173.42 1j0q n ASP 60 N -5.25 -0.39 0.30 1.42 2.03 0.61 0.02 116.55 115.29 1j0q n ASP 60 Ca -0.14 0.67 0.15 0.00 0.52 0.00 0.00 54.79 55.99 1j0q n ASP 60 Cb 0.46 -0.09 0.91 0.00 -0.72 0.00 0.00 41.12 41.68 1j0q n ASP 60 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1j0q h HIS 61 N 0.00 0.00 -0.85 -0.67 3.86 -1.49 -3.46 115.15 112.55 1j0q h HIS 61 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1j0q h HIS 61 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1j0q h HIS 61 CO -0.38 0.02 0.00 0.41 0.86 0.00 0.00 177.93 178.83 1j0q n GLY 62 N -1.20 0.93 3.74 2.45 0.00 0.10 -5.02 105.19 106.18 1j0q n GLY 62 Ca -0.03 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.87 2.58 -0.63 1.61 8.25 -1.24 -4.95 115.22 118.98 1j0q n HIS 63 Ca 0.00 0.49 -0.30 0.00 -0.26 0.00 0.00 57.72 57.64 1j0q n HIS 63 Cb 0.39 -2.46 0.19 0.00 1.12 0.00 0.00 29.99 29.23 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 -0.31 2.37 0.32 0.41 1.04 -1.26 -4.72 113.70 111.55 1j0q s SER 64 Ca 0.56 2.06 0.10 0.00 0.48 0.00 0.00 55.95 59.15 1j0q s SER 64 Cb -0.50 -2.52 0.93 0.00 0.10 0.00 0.00 66.02 64.02 1j0q s SER 64 CO 0.61 -3.43 1.70 0.71 0.98 0.00 0.00 173.24 173.82 1j0q h THR 65 N -2.09 0.45 -0.06 2.02 1.35 -1.98 0.95 112.91 113.55 1j0q h THR 65 Ca -0.47 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1j0q h THR 65 Cb 1.28 -0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1j0q h THR 65 CO 0.43 0.09 -0.09 0.44 -0.25 0.00 0.00 175.52 176.13 1j0q h ASP 66 N 0.47 0.19 -0.43 5.36 5.19 -1.98 0.27 116.42 125.49 1j0q h ASP 66 Ca 0.66 -0.53 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1j0q h ASP 66 Cb 1.34 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 1j0q h ASP 66 CO -0.53 0.68 0.28 0.00 -3.12 0.00 0.00 179.24 176.56 1j0q h ALA 67 N 0.51 0.54 -0.23 3.45 0.00 -1.84 0.53 119.26 122.23 1j0q h ALA 67 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1j0q h ALA 67 Cb 0.64 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1j0q h ALA 67 CO 0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 179.25 178.97 1j0q h ARG 68 N 0.57 -0.30 -0.27 0.00 3.08 -0.65 0.16 114.38 116.98 1j0q h ARG 68 Ca 0.16 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.28 1j0q h ARG 68 Cb -0.06 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1j0q h ARG 68 CO -0.04 -0.20 -0.06 1.49 -1.07 0.00 0.00 179.97 180.10 1j0q h GLU 69 N -0.31 0.01 -0.69 0.04 4.57 0.04 -0.38 114.58 117.87 1j0q h GLU 69 Ca 0.13 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.44 1j0q h GLU 69 Cb 0.51 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 1j0q h GLU 69 CO -0.40 0.01 0.19 -0.07 -1.18 0.00 0.00 179.01 177.56 1j0q h LEU 70 N 0.01 0.08 -0.85 1.64 -0.00 -0.50 0.05 115.31 115.75 1j0q h LEU 70 Ca 0.13 0.12 0.11 0.00 -0.00 0.00 0.00 57.88 58.24 1j0q h LEU 70 Cb 0.19 0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 40.92 1j0q h LEU 70 CO -0.27 0.02 0.49 -1.28 -0.00 0.00 0.00 178.44 177.40 1j0q h SER 71 N 0.31 0.68 0.32 -0.43 0.87 0.97 0.10 113.55 116.38 1j0q h SER 71 Ca 0.38 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1j0q h SER 71 Cb 0.60 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1j0q h SER 71 CO -0.44 0.37 -0.28 0.11 -0.53 0.00 0.00 176.83 176.06 1j0q h LYS 72 N 0.79 -0.60 0.00 2.24 1.57 -0.10 -1.52 116.57 118.95 1j0q h LYS 72 Ca 0.42 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1j0q h LYS 72 Cb 0.42 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1j0q h LYS 72 CO -0.27 -0.40 0.00 0.00 -0.57 0.00 0.00 179.45 178.21 1j0q h THR 73 N -0.62 0.00 0.00 -0.16 1.03 -0.89 -0.69 112.91 111.58 1j0q h THR 73 Ca -0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 1j0q h THR 73 Cb 0.55 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.94 1j0q h THR 73 CO -0.03 0.00 -0.01 0.49 -0.01 0.00 0.00 175.52 175.95 1j0q n PHE 74 N -3.07 0.87 -1.68 0.00 3.72 0.26 -4.87 117.46 112.70 1j0q n PHE 74 Ca -0.01 0.25 -0.45 0.00 -0.05 0.00 0.00 57.45 57.19 1j0q n PHE 74 Cb 0.21 -0.91 -0.04 0.00 -0.94 0.00 0.00 39.48 37.80 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 -2.21 0.07 0.00 4.37 5.41 -0.27 -1.56 119.36 125.17 1j0q n ILE 75 Ca 0.06 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1j0q n ILE 75 Cb 0.43 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 3.41 0.00 -3.75 1.39 -5.35 -0.03 -4.91 119.36 110.12 1j0q n ILE 76 Ca 0.16 -0.19 -0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1j0q n ILE 76 Cb 0.30 0.74 0.01 0.00 -1.74 0.00 0.00 39.64 38.95 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 0.95 0.78 3.19 3.28 0.00 -1.14 -4.79 105.19 107.46 1j0q n GLY 77 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.02 0.93 0.21 1.61 2.02 -1.26 -0.99 118.70 119.21 1j0q s GLU 78 Ca 0.12 -1.41 -0.32 0.00 0.02 0.00 0.00 54.97 53.38 1j0q s GLU 78 Cb -0.01 -0.20 -0.14 0.00 0.10 0.00 0.00 34.13 33.87 1j0q s GLU 78 CO 0.02 -0.07 1.30 -0.11 0.02 0.00 0.00 175.26 176.41 1j0q n LEU 79 N -0.11 2.42 -4.49 1.80 7.94 -0.31 -2.58 117.00 121.66 1j0q n LEU 79 Ca -0.10 1.14 -0.32 0.00 -1.11 0.00 0.00 56.01 55.63 1j0q n LEU 79 Cb 0.62 -1.34 0.16 0.00 0.53 0.00 0.00 43.42 43.39 1j0q n LEU 79 CO 0.31 -0.85 0.19 1.57 -1.11 0.00 0.00 177.39 177.51 1j0q n HIS 80 N 1.70 -0.64 -0.01 1.96 -0.00 0.26 -4.84 115.22 113.67 1j0q n HIS 80 Ca 0.13 0.24 -0.18 0.00 -0.00 0.00 0.00 57.72 57.90 1j0q n HIS 80 Cb 0.29 -1.82 -0.08 0.00 -0.00 0.00 0.00 29.99 28.37 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 -1.87 0.78 0.00 1.57 0.11 -1.92 -3.20 132.00 127.46 1j0q h PRO 81 Ca -0.47 -0.68 0.00 0.00 0.11 0.00 0.00 66.00 64.97 1j0q h PRO 81 Cb 1.29 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1j0q h PRO 81 CO 0.39 1.27 0.00 -3.47 -0.21 0.00 0.00 178.00 175.98 1j0q n ASP 82 N -3.93 0.00 -0.47 -2.05 2.03 -1.26 -0.84 116.55 110.04 1j0q n ASP 82 Ca -0.08 0.48 0.09 0.00 0.52 0.00 0.00 54.79 55.80 1j0q n ASP 82 Cb 0.78 -0.48 0.01 0.00 -0.72 0.00 0.00 41.12 40.70 1j0q n ASP 82 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1j0q n ASP 83 N -1.48 1.91 0.00 1.67 8.00 -1.21 -5.15 116.55 120.28 1j0q n ASP 83 Ca 0.00 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 54.05 1j0q n ASP 83 Cb 0.01 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35