#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 -0.05 0.00 0.24 -1.26 -5.04 118.33 112.22 1j0q n VAL 4 Ca 0.00 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1j0q n VAL 4 Cb 0.00 -1.26 -0.04 0.00 -1.47 0.00 0.00 33.84 31.07 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 -2.21 0.27 -1.39 7.34 5.02 -1.26 -5.15 118.16 120.79 1j0q n LYS 5 Ca 0.04 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.52 1j0q n LYS 5 Cb 0.15 -0.96 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 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 -3.69 -3.76 -3.86 2.13 4.02 -1.26 -5.01 117.16 105.72 1j0q n TYR 6 Ca -0.21 2.06 -0.17 0.00 -0.01 0.00 0.00 57.90 59.57 1j0q n TYR 6 Cb 0.57 -3.30 -0.16 0.00 -0.02 0.00 0.00 39.34 36.43 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1j0q s TYR 7 N -4.80 0.24 0.14 -0.72 1.51 0.90 -4.75 117.35 109.88 1j0q s TYR 7 Ca 0.00 0.04 -0.22 0.00 -1.01 0.00 0.00 57.07 55.88 1j0q s TYR 7 Cb 0.00 -0.39 -0.08 0.00 -0.11 0.00 0.00 41.96 41.38 1j0q s TYR 7 CO 0.00 -0.13 0.69 0.95 -1.11 0.00 0.00 175.55 175.95 1j0q s THR 8 N 1.18 4.53 0.23 -0.71 -4.23 -1.26 -0.43 115.64 114.94 1j0q s THR 8 Ca -0.08 1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 61.88 1j0q s THR 8 Cb -0.13 -4.01 0.34 0.00 1.34 0.00 0.00 72.50 70.03 1j0q s THR 8 CO -0.02 0.49 1.20 -0.11 -0.54 0.00 0.00 174.62 175.63 1j0q n LEU 9 N 1.51 -0.18 -0.37 4.79 0.00 -1.26 -0.17 117.00 121.32 1j0q n LEU 9 Ca -0.07 1.31 -0.10 0.00 0.00 0.00 0.00 56.01 57.15 1j0q n LEU 9 Cb 0.50 -0.44 -0.09 0.00 0.00 0.00 0.00 43.42 43.39 1j0q n LEU 9 CO 0.44 -1.29 0.43 1.21 0.00 0.00 0.00 177.39 178.18 1j0q n GLU 10 N -5.16 -0.39 0.04 1.96 4.07 -1.26 -0.45 120.64 119.46 1j0q n GLU 10 Ca 0.15 1.35 -0.13 0.00 -0.06 0.00 0.00 57.16 58.47 1j0q n GLU 10 Cb 0.49 -1.98 -0.08 0.00 -0.06 0.00 0.00 31.44 29.81 1j0q n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1j0q h GLU 11 N 0.00 -0.04 -0.99 5.31 4.39 -0.94 -3.31 114.58 119.00 1j0q h GLU 11 Ca 0.14 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.85 1j0q h GLU 11 Cb 0.36 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 1j0q h GLU 11 CO -0.83 0.12 0.64 0.82 -1.16 0.00 0.00 179.01 178.61 1j0q h ILE 12 N -0.20 1.26 -0.57 3.13 2.04 0.17 0.10 117.51 123.44 1j0q h ILE 12 Ca -0.00 -0.49 0.10 0.00 1.00 0.00 0.00 64.86 65.46 1j0q h ILE 12 Cb 0.18 -0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.00 1j0q h ILE 12 CO 0.01 0.25 0.16 1.56 0.00 0.00 0.00 178.15 180.13 1j0q h GLN 13 N 1.35 0.30 -0.19 2.37 4.20 -0.85 -3.19 115.11 119.09 1j0q h GLN 13 Ca 0.36 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.84 1j0q h GLN 13 Cb -0.13 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.59 1j0q h GLN 13 CO -0.08 0.20 -0.70 -0.22 -0.67 0.00 0.00 178.83 177.36 1j0q h LYS 14 N 0.31 0.79 -4.58 1.46 1.63 -0.91 -3.16 116.57 112.10 1j0q h LYS 14 Ca 0.29 -0.60 -0.63 0.00 -0.85 0.00 0.00 60.65 58.86 1j0q h LYS 14 Cb 0.39 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1j0q h LYS 14 CO -0.34 1.21 2.40 0.72 -3.45 0.00 0.00 179.45 179.99 1j0q n HIS 15 N -3.95 2.76 -2.46 1.91 8.25 -0.74 -4.16 115.22 116.83 1j0q n HIS 15 Ca -0.06 -2.23 0.03 0.00 -0.26 0.00 0.00 57.72 55.20 1j0q n HIS 15 Cb 0.71 -2.17 0.04 0.00 1.12 0.00 0.00 29.99 29.69 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 7.98 1.23 -3.68 0.41 6.94 -0.92 -0.22 115.26 127.01 1j0q n ASN 16 Ca 0.50 -2.22 -0.20 0.00 -0.02 0.00 0.00 54.58 52.64 1j0q n ASN 16 Cb 0.41 -0.35 -0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1j0q n ASN 16 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1j0q s ASN 17 N -2.43 1.72 -1.36 0.53 3.84 -0.49 -4.91 114.94 111.85 1j0q s ASN 17 Ca 0.34 -1.68 -0.12 0.00 0.21 0.00 0.00 52.86 51.61 1j0q s ASN 17 Cb 0.38 0.51 -0.05 0.00 -0.55 0.00 0.00 41.25 41.54 1j0q s ASN 17 CO -0.14 -0.99 2.47 -1.20 -2.79 0.00 0.00 177.10 174.45 1j0q n SER 18 N -1.29 5.84 0.16 -4.21 7.64 -1.26 -1.34 113.62 119.17 1j0q n SER 18 Ca 0.03 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1j0q n SER 18 Cb 0.64 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j0q n LYS 19 N 4.89 0.00 0.00 1.43 4.76 -1.26 -5.13 118.16 122.85 1j0q n LYS 19 Ca 0.61 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1j0q n LYS 19 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 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 -3.18 0.00 -4.08 4.39 7.64 -0.45 -5.10 113.62 112.84 1j0q n SER 20 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1j0q n SER 20 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.00 2.18 0.14 0.44 2.01 -1.25 -1.39 115.64 115.76 1j0q s THR 21 Ca 0.00 -1.50 0.07 0.00 0.31 0.00 0.00 61.69 60.56 1j0q s THR 21 Cb 0.00 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1j0q s THR 21 CO 0.00 0.07 -0.03 0.26 -0.69 0.00 0.00 174.62 174.23 1j0q s TRP 22 N 1.14 2.84 0.07 4.92 0.52 0.69 -1.70 118.94 127.43 1j0q s TRP 22 Ca -0.06 -0.12 -0.15 0.00 0.02 0.00 0.00 56.10 55.78 1j0q s TRP 22 Cb -0.19 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1j0q s TRP 22 CO -0.06 0.49 0.36 -0.48 0.02 0.00 0.00 176.95 177.27 1j0q s LEU 23 N -2.60 0.64 -0.23 2.99 0.05 0.06 -0.37 118.68 119.22 1j0q s LEU 23 Ca 0.25 -0.22 -0.22 0.00 0.05 0.00 0.00 54.13 54.00 1j0q s LEU 23 Cb -0.10 1.59 -0.02 0.00 -2.05 0.00 0.00 46.19 45.61 1j0q s LEU 23 CO 0.17 -0.71 0.69 -0.63 -0.55 0.00 0.00 176.35 175.32 1j0q s ILE 24 N -3.04 4.96 -0.21 1.48 1.01 -0.25 -1.00 121.20 124.15 1j0q s ILE 24 Ca -0.02 1.28 0.02 0.00 0.00 0.00 0.00 60.65 61.93 1j0q s ILE 24 Cb 0.01 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.52 1j0q s ILE 24 CO -0.06 0.03 -0.15 -0.76 0.00 0.00 0.00 174.94 174.00 1j0q s LEU 25 N 2.35 2.57 -1.38 2.97 1.02 -0.49 -0.58 118.68 125.16 1j0q s LEU 25 Ca 0.30 -0.94 -0.06 0.00 0.02 0.00 0.00 54.13 53.44 1j0q s LEU 25 Cb -0.16 -1.44 0.03 0.00 0.02 0.00 0.00 46.19 44.65 1j0q s LEU 25 CO 0.09 -0.10 0.94 1.41 0.02 0.00 0.00 176.35 178.71 1j0q n HIS 26 N 4.58 -2.28 -0.85 0.29 8.25 -1.26 -1.07 115.22 122.88 1j0q n HIS 26 Ca -0.17 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1j0q n HIS 26 Cb 0.47 -4.50 0.00 0.00 1.12 0.00 0.00 29.99 27.08 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 -4.54 0.00 -4.05 4.41 4.19 -1.26 -4.98 117.16 110.93 1j0q n TYR 27 Ca -0.13 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 60.77 1j0q n TYR 27 Cb 0.60 -1.03 -0.06 0.00 0.49 0.00 0.00 39.34 39.34 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 -0.88 3.06 -0.21 2.98 -0.14 -0.23 -1.45 119.74 122.87 1j0q s LYS 28 Ca 0.00 -0.55 -0.08 0.00 -1.36 0.00 0.00 55.97 53.98 1j0q s LYS 28 Cb 0.00 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 1j0q s LYS 28 CO 0.00 0.61 0.08 0.08 -0.76 0.00 0.00 175.35 175.36 1j0q s VAL 29 N -1.31 4.73 -0.18 3.17 1.01 -0.10 -1.39 120.40 126.33 1j0q s VAL 29 Ca 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1j0q s VAL 29 Cb -0.12 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1j0q s VAL 29 CO 0.19 0.41 -0.13 -0.31 0.00 0.00 0.00 175.10 175.26 1j0q s TYR 30 N 0.79 2.39 -0.14 5.22 1.51 -0.17 -1.91 117.35 125.04 1j0q s TYR 30 Ca 0.04 -1.47 -0.12 0.00 -1.01 0.00 0.00 57.07 54.51 1j0q s TYR 30 Cb -0.13 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1j0q s TYR 30 CO 0.02 -0.73 0.25 0.34 -1.11 0.00 0.00 175.55 174.33 1j0q s ASP 31 N 1.41 6.43 0.02 2.29 -1.08 -0.85 -0.76 116.67 124.13 1j0q s ASP 31 Ca 0.02 0.50 -0.03 0.00 -0.52 0.00 0.00 52.55 52.52 1j0q s ASP 31 Cb -0.15 -2.16 -0.01 0.00 -1.46 0.00 0.00 42.92 39.15 1j0q s ASP 31 CO -0.10 0.19 -0.07 0.18 0.52 0.00 0.00 175.17 175.90 1j0q n LEU 32 N 3.10 1.01 0.00 -1.34 4.77 -0.69 -4.68 117.00 119.18 1j0q n LEU 32 Ca -0.14 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1j0q n LEU 32 Cb 0.52 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1j0q n LEU 32 CO 0.38 -0.44 0.00 0.41 -1.33 0.00 0.00 177.39 176.40 1j0q n THR 33 N -3.55 0.00 -0.12 -5.08 -1.04 -1.25 -0.69 114.28 102.55 1j0q n THR 33 Ca -0.05 0.00 0.26 0.00 -2.04 0.00 0.00 64.05 62.22 1j0q n THR 33 Cb 0.23 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.46 1j0q n THR 33 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1j0q h LYS 34 N 0.00 0.00 0.00 -2.82 2.10 -1.97 -0.91 116.57 112.97 1j0q h LYS 34 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1j0q h LYS 34 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1j0q h LYS 34 CO 0.00 0.00 -0.20 0.35 -2.00 0.00 0.00 179.45 177.60 1j0q h PHE 35 N 0.00 0.00 -1.00 0.07 3.57 -1.30 -3.21 116.94 115.07 1j0q h PHE 35 Ca 0.37 0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.06 1j0q h PHE 35 Cb 1.52 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 40.16 1j0q h PHE 35 CO 0.00 0.20 0.61 -0.07 -2.23 0.00 0.00 178.31 176.82 1j0q h LEU 36 N 0.00 0.79 0.39 0.59 3.38 -1.37 0.31 115.31 119.40 1j0q h LEU 36 Ca -0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1j0q h LEU 36 Cb 0.95 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1j0q h LEU 36 CO 0.03 0.28 -0.23 -0.33 0.09 0.00 0.00 178.44 178.28 1j0q h GLU 37 N 0.77 -0.56 -0.62 1.13 4.39 -1.73 -3.33 114.58 114.64 1j0q h GLU 37 Ca 0.58 0.04 -0.07 0.00 0.34 0.00 0.00 59.36 60.25 1j0q h GLU 37 Cb 0.88 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1j0q h GLU 37 CO -0.38 -0.38 0.13 1.49 -1.16 0.00 0.00 179.01 178.71 1j0q h GLU 38 N -0.58 1.00 -6.31 2.33 4.81 -0.94 -3.45 114.58 111.44 1j0q h GLU 38 Ca -0.05 -0.25 -0.54 0.00 -0.13 0.00 0.00 59.36 58.39 1j0q h GLU 38 Cb 0.47 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.74 1j0q h GLU 38 CO 0.06 0.93 1.26 -1.58 -0.73 0.00 0.00 179.01 178.94 1j0q s HIS 39 N -5.26 1.29 0.35 0.92 2.46 0.83 -4.90 115.29 110.98 1j0q s HIS 39 Ca -0.12 -0.31 0.09 0.00 0.47 0.00 0.00 55.06 55.19 1j0q s HIS 39 Cb 0.13 -4.20 0.83 0.00 -0.13 0.00 0.00 32.58 29.22 1j0q s HIS 39 CO 0.83 -5.32 1.85 -1.35 -2.47 0.00 0.00 174.74 168.27 1j0q h PRO 40 N 11.13 0.66 0.00 2.88 0.11 -1.90 0.14 132.00 145.00 1j0q h PRO 40 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1j0q h PRO 40 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j0q h PRO 40 CO 0.94 0.44 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1j0q n GLY 41 N -1.42 -1.02 2.08 -0.55 0.00 -1.26 -5.01 105.19 98.02 1j0q n GLY 41 Ca 0.19 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.23 -2.02 0.04 -0.02 0.00 0.47 -4.67 105.19 98.76 1j0q n GLY 42 Ca 0.02 -1.36 -0.01 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 0.00 -0.45 1.61 4.81 -1.86 -3.38 114.58 115.31 1j0q h GLU 43 Ca 0.01 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1j0q h GLU 43 Cb 0.39 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1j0q h GLU 43 CO 0.00 0.00 -0.27 0.39 -0.73 0.00 0.00 179.01 178.41 1j0q n GLU 44 N -4.00 -0.20 -0.34 1.92 1.02 -1.26 0.42 120.64 118.20 1j0q n GLU 44 Ca -0.02 1.14 0.09 0.00 -0.02 0.00 0.00 57.16 58.35 1j0q n GLU 44 Cb 0.06 -1.69 0.29 0.00 -0.02 0.00 0.00 31.44 30.08 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1j0q h VAL 45 N 0.00 0.87 -0.13 2.62 3.04 -1.84 0.94 116.25 121.75 1j0q h VAL 45 Ca 0.07 -0.30 -0.15 0.00 -1.01 0.00 0.00 66.70 65.31 1j0q h VAL 45 Cb 0.18 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.36 1j0q h VAL 45 CO -0.42 0.16 -0.55 0.25 -1.01 0.00 0.00 177.57 176.00 1j0q h LEU 46 N 0.89 0.44 0.13 3.16 6.46 -0.22 -3.11 115.31 123.05 1j0q h LEU 46 Ca 0.50 -0.23 -0.27 0.00 -0.12 0.00 0.00 57.88 57.75 1j0q h LEU 46 Cb 0.61 -0.13 0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1j0q h LEU 46 CO -0.27 0.90 -1.14 -0.09 -0.62 0.00 0.00 178.44 177.23 1j0q h ARG 47 N 0.30 0.55 -0.88 1.25 2.43 0.17 0.22 114.38 118.41 1j0q h ARG 47 Ca 0.00 -0.76 0.24 0.00 -0.81 0.00 0.00 59.98 58.65 1j0q h ARG 47 Cb 1.06 0.26 -0.15 0.00 -0.42 0.00 0.00 29.97 30.72 1j0q h ARG 47 CO 0.09 1.34 0.16 1.49 -1.51 0.00 0.00 179.97 181.54 1j0q h GLU 48 N 0.12 0.13 0.00 0.20 4.57 -0.98 0.37 114.58 119.00 1j0q h GLU 48 Ca -0.18 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1j0q h GLU 48 Cb 1.84 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.40 1j0q h GLU 48 CO 0.22 0.09 -0.20 0.37 -1.18 0.00 0.00 179.01 178.31 1j0q h GLN 49 N 0.14 0.00 -7.35 1.92 5.75 -1.40 -3.47 115.11 110.68 1j0q h GLN 49 Ca 0.55 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 58.56 1j0q h GLN 49 Cb 1.10 0.00 0.14 0.00 1.07 0.00 0.00 27.48 29.79 1j0q h GLN 49 CO -0.72 0.10 0.28 0.00 -2.65 0.00 0.00 178.83 175.84 1j0q s ALA 50 N -3.17 1.76 -1.29 3.38 0.00 0.12 -3.69 121.76 118.88 1j0q s ALA 50 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1j0q s ALA 50 Cb 0.06 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1j0q s ALA 50 CO 0.70 -2.16 0.58 0.41 0.00 0.00 0.00 175.76 175.28 1j0q n GLY 51 N -1.38 -0.58 0.00 0.00 0.00 0.50 -4.92 105.19 98.81 1j0q n GLY 51 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.90 -0.61 3.74 -0.02 0.00 -1.24 -4.23 105.19 100.93 1j0q n GLY 52 Ca -0.21 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.00 7.23 -0.05 1.61 -1.08 -1.26 -1.09 116.67 118.03 1j0q s ASP 53 Ca 0.00 2.14 0.11 0.00 -0.52 0.00 0.00 52.55 54.28 1j0q s ASP 53 Cb 0.00 -2.61 0.20 0.00 -1.46 0.00 0.00 42.92 39.05 1j0q s ASP 53 CO 0.00 -0.24 1.09 0.00 0.52 0.00 0.00 175.17 176.54 1j0q n ALA 54 N 2.24 2.32 0.12 3.66 0.00 0.25 -4.82 120.51 124.27 1j0q n ALA 54 Ca 0.02 -1.92 -0.13 0.00 0.00 0.00 0.00 53.44 51.42 1j0q n ALA 54 Cb 0.46 -0.50 -0.08 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 4.66 0.85 0.78 0.00 2.02 -1.80 -0.85 112.91 118.57 1j0q h THR 55 Ca -0.05 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1j0q h THR 55 Cb 1.36 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1j0q h THR 55 CO 0.02 0.13 -0.44 -0.08 0.37 0.00 0.00 175.52 175.52 1j0q h GLU 56 N -0.62 -1.10 -0.61 6.66 4.81 -1.91 -1.27 114.58 120.54 1j0q h GLU 56 Ca -0.03 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1j0q h GLU 56 Cb 0.45 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 29.98 1j0q h GLU 56 CO 0.05 -0.73 0.09 -0.97 -0.73 0.00 0.00 179.01 176.72 1j0q h ASN 57 N -1.14 -0.10 0.15 1.04 -0.73 -1.92 0.13 115.58 113.01 1j0q h ASN 57 Ca -0.10 0.13 0.01 0.00 1.87 0.00 0.00 56.30 58.21 1j0q h ASN 57 Cb 0.90 0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.67 1j0q h ASN 57 CO 0.13 -0.04 -0.20 0.15 -0.37 0.00 0.00 177.43 177.10 1j0q h PHE 58 N 0.20 -0.53 0.33 0.67 3.57 -0.92 -1.20 116.94 119.07 1j0q h PHE 58 Ca 0.32 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1j0q h PHE 58 Cb 0.51 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1j0q h PHE 58 CO -0.29 -0.29 -0.16 1.49 -2.23 0.00 0.00 178.31 176.83 1j0q h GLU 59 N -0.40 -0.42 -0.93 1.11 4.57 -0.28 -2.93 114.58 115.30 1j0q h GLU 59 Ca 0.01 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.35 1j0q h GLU 59 Cb 0.40 0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 28.95 1j0q h GLU 59 CO -0.08 -0.20 -0.40 -3.47 -1.18 0.00 0.00 179.01 173.68 1j0q n ASP 60 N -5.22 -0.67 -0.34 1.04 -0.08 0.36 -0.01 116.55 111.63 1j0q n ASP 60 Ca -0.10 1.62 0.00 0.00 -1.51 0.00 0.00 54.79 54.80 1j0q n ASP 60 Cb 0.23 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1j0q n ASP 60 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1j0q n HIS 61 N -5.33 0.00 -2.75 -0.67 8.25 -0.45 -4.85 115.22 109.41 1j0q n HIS 61 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 1j0q n HIS 61 Cb 0.35 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.42 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 0.17 -0.41 3.58 -1.41 0.00 0.98 -4.88 105.19 103.22 1j0q n GLY 62 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.07 1.57 0.00 1.61 3.76 -1.12 -4.93 115.29 113.11 1j0q s HIS 63 Ca 0.18 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 1j0q s HIS 63 Cb -0.08 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 29.60 1j0q s HIS 63 CO 0.23 -2.96 0.00 0.43 -0.85 0.00 0.00 174.74 171.59 1j0q n SER 64 N 11.76 0.00 -0.36 1.40 7.64 -1.26 -4.59 113.62 128.22 1j0q n SER 64 Ca 0.25 -0.98 -0.09 0.00 1.01 0.00 0.00 58.87 59.06 1j0q n SER 64 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 1j0q n SER 64 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1j0q h THR 65 N -0.59 0.01 -0.48 0.44 1.35 -1.98 0.27 112.91 111.93 1j0q h THR 65 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1j0q h THR 65 Cb 0.00 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.41 1j0q h THR 65 CO 0.00 0.00 0.23 0.44 -0.25 0.00 0.00 175.52 175.94 1j0q h ASP 66 N -0.07 0.62 -0.49 5.36 5.19 -1.99 0.22 116.42 125.27 1j0q h ASP 66 Ca 0.20 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1j0q h ASP 66 Cb 0.49 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1j0q h ASP 66 CO -0.89 0.57 0.15 0.00 -3.12 0.00 0.00 179.24 175.96 1j0q h ALA 67 N 1.08 0.64 -0.24 3.45 0.00 -1.76 -0.73 119.26 121.71 1j0q h ALA 67 Ca 0.16 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1j0q h ALA 67 Cb 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1j0q h ALA 67 CO -0.02 0.30 -0.35 -0.09 0.00 0.00 0.00 179.25 179.09 1j0q h ARG 68 N 0.66 -0.35 0.08 0.00 9.65 0.07 0.13 114.38 124.62 1j0q h ARG 68 Ca 0.16 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.08 1j0q h ARG 68 Cb 0.28 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 1j0q h ARG 68 CO -0.00 -0.23 -0.21 1.49 2.80 0.00 0.00 179.97 183.82 1j0q h GLU 69 N -0.36 -0.36 -0.95 0.20 4.57 -0.28 0.52 114.58 117.91 1j0q h GLU 69 Ca 0.12 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 58.58 1j0q h GLU 69 Cb 0.56 0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 29.10 1j0q h GLU 69 CO -0.44 -0.24 0.48 -0.07 -1.18 0.00 0.00 179.01 177.56 1j0q h LEU 70 N -0.37 0.43 -1.19 1.64 -0.00 -0.84 0.44 115.31 115.42 1j0q h LEU 70 Ca 0.04 0.17 -0.06 0.00 -0.00 0.00 0.00 57.88 58.02 1j0q h LEU 70 Cb 0.41 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 1j0q h LEU 70 CO -0.14 -0.03 -0.11 0.77 -0.00 0.00 0.00 178.44 178.93 1j0q h SER 71 N 0.40 0.41 0.18 -0.43 4.64 0.15 0.16 113.55 119.06 1j0q h SER 71 Ca 0.63 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 1j0q h SER 71 Cb 1.29 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1j0q h SER 71 CO -0.55 0.56 -0.09 0.11 -0.87 0.00 0.00 176.83 175.99 1j0q h LYS 72 N 0.41 -0.23 -0.87 4.77 1.57 -0.22 -2.52 116.57 119.47 1j0q h LYS 72 Ca 0.08 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.09 1j0q h LYS 72 Cb 0.44 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1j0q h LYS 72 CO 0.02 -0.10 0.59 1.15 -0.57 0.00 0.00 179.45 180.55 1j0q h THR 73 N -0.31 0.66 0.00 -0.16 2.02 -0.49 0.11 112.91 114.74 1j0q h THR 73 Ca -0.02 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1j0q h THR 73 Cb 0.24 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1j0q h THR 73 CO 0.04 0.05 -0.05 0.49 0.37 0.00 0.00 175.52 176.43 1j0q n PHE 74 N -4.45 0.10 -1.65 3.16 3.72 0.45 -4.87 117.46 113.92 1j0q n PHE 74 Ca 0.18 0.03 -0.54 0.00 -0.05 0.00 0.00 57.45 57.07 1j0q n PHE 74 Cb 0.74 -0.53 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.58 0.17 -0.08 4.37 5.41 0.40 -2.00 119.36 126.04 1j0q n ILE 75 Ca 0.07 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1j0q n ILE 75 Cb 0.35 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 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 3.62 0.00 0.00 1.39 -5.35 -0.80 -4.93 119.36 113.29 1j0q n ILE 76 Ca 0.22 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1j0q n ILE 76 Cb 0.18 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 0.50 0.39 3.05 3.28 0.00 -1.24 -5.02 105.19 106.14 1j0q n GLY 77 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.91 0.50 -0.35 1.61 2.02 -1.26 -0.93 118.70 118.38 1j0q s GLU 78 Ca 0.00 -0.90 -0.28 0.00 0.02 0.00 0.00 54.97 53.81 1j0q s GLU 78 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.23 1j0q s GLU 78 CO 0.00 -0.04 1.84 -1.17 0.02 0.00 0.00 175.26 175.91 1j0q s LEU 79 N -2.08 3.48 0.25 1.80 1.98 -0.53 -0.07 118.68 123.52 1j0q s LEU 79 Ca -0.05 1.24 -0.30 0.00 -2.89 0.00 0.00 54.13 52.13 1j0q s LEU 79 Cb -0.03 -3.39 -0.09 0.00 0.66 0.00 0.00 46.19 43.34 1j0q s LEU 79 CO -0.04 -1.82 1.19 -2.28 -1.89 0.00 0.00 176.35 171.52 1j0q s HIS 80 N 7.31 3.40 -1.27 5.38 5.65 0.42 -4.86 115.29 131.32 1j0q s HIS 80 Ca 0.80 1.52 0.30 0.00 0.25 0.00 0.00 55.06 57.93 1j0q s HIS 80 Cb -0.22 -3.44 1.42 0.00 -1.18 0.00 0.00 32.58 29.16 1j0q s HIS 80 CO 0.32 -1.13 2.01 -2.30 -0.65 0.00 0.00 174.74 173.00 1j0q n PRO 81 N 1.63 0.27 0.01 2.88 -0.02 -1.26 -1.34 135.00 137.17 1j0q n PRO 81 Ca 0.01 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.69 1j0q n PRO 81 Cb 0.44 -1.50 0.68 0.00 -0.02 0.00 0.00 33.50 33.10 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 0.01 0.00 2.55 3.58 -1.99 -2.53 116.42 118.04 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 0.36 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1j0q h ASP 82 CO 0.00 0.01 0.00 -0.67 -2.88 0.00 0.00 179.24 175.70 1j0q n ASP 83 N -4.39 0.00 0.00 2.28 -0.08 -0.45 -5.12 116.55 108.80 1j0q n ASP 83 Ca 0.09 0.84 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 1j0q n ASP 83 Cb 0.59 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.70 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21