#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 0.00 0.00 0.00 -7.23 -1.26 -5.10 120.40 106.81 1j0q s VAL 4 Ca 0.00 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1j0q s VAL 4 Cb 0.00 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1j0q s VAL 4 CO 0.00 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 175.96 1j0q n LYS 5 N -0.44 0.00 -1.35 4.82 0.00 -1.26 -5.09 118.16 114.84 1j0q n LYS 5 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.39 1j0q n LYS 5 Cb 0.64 -0.79 -0.02 0.00 0.00 0.00 0.00 35.03 34.86 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 -2.62 -2.92 -3.63 5.64 4.01 -1.26 -4.88 117.16 111.50 1j0q n TYR 6 Ca 0.00 1.59 -0.12 0.00 -0.16 0.00 0.00 57.90 59.21 1j0q n TYR 6 Cb 0.47 -2.50 -0.07 0.00 -0.31 0.00 0.00 39.34 36.93 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 -4.88 -0.69 0.27 -0.72 2.02 0.50 -4.67 117.35 109.19 1j0q s TYR 7 Ca 0.00 1.67 -0.01 0.00 -0.37 0.00 0.00 57.07 58.36 1j0q s TYR 7 Cb 0.00 0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.82 1j0q s TYR 7 CO 0.00 -0.33 0.47 0.95 -1.57 0.00 0.00 175.55 175.08 1j0q s THR 8 N 0.34 5.14 0.30 -0.71 -4.23 -1.26 -0.51 115.64 114.70 1j0q s THR 8 Ca 0.01 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.21 1j0q s THR 8 Cb -0.05 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.30 1j0q s THR 8 CO -0.02 -0.33 1.85 0.25 -0.54 0.00 0.00 174.62 175.83 1j0q h LEU 9 N 1.50 0.89 -0.98 4.79 6.46 -1.95 0.18 115.31 126.19 1j0q h LEU 9 Ca -0.49 0.04 0.14 0.00 -0.12 0.00 0.00 57.88 57.45 1j0q h LEU 9 Cb 1.20 -0.14 -0.15 0.00 -0.73 0.00 0.00 40.66 40.85 1j0q h LEU 9 CO 0.65 0.48 -0.43 1.21 -0.62 0.00 0.00 178.44 179.73 1j0q n GLU 10 N -4.59 -0.28 -0.04 1.25 4.07 -1.26 -0.73 120.64 119.05 1j0q n GLU 10 Ca 0.18 1.51 -0.14 0.00 -0.06 0.00 0.00 57.16 58.65 1j0q n GLU 10 Cb 0.35 -2.23 -0.08 0.00 -0.06 0.00 0.00 31.44 29.42 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 0.35 -0.62 5.31 4.39 -1.48 -3.15 114.58 119.37 1j0q h GLU 11 Ca 0.30 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1j0q h GLU 11 Cb 0.54 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1j0q h GLU 11 CO -0.96 0.84 0.23 0.82 -1.16 0.00 0.00 179.01 178.77 1j0q h ILE 12 N -0.09 1.24 -0.37 3.13 2.04 0.49 0.19 117.51 124.13 1j0q h ILE 12 Ca -0.00 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1j0q h ILE 12 Cb 0.84 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1j0q h ILE 12 CO 0.05 0.30 0.24 1.56 0.00 0.00 0.00 178.15 180.30 1j0q h GLN 13 N 0.88 0.47 -0.49 2.37 4.20 -1.08 -3.02 115.11 118.45 1j0q h GLN 13 Ca 0.21 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.91 1j0q h GLN 13 Cb 0.24 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1j0q h GLN 13 CO -0.01 0.31 0.28 -0.22 -0.67 0.00 0.00 178.83 178.52 1j0q h LYS 14 N 0.49 0.55 -5.06 1.46 3.64 -1.20 -3.34 116.57 113.11 1j0q h LYS 14 Ca 0.14 -0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.90 1j0q h LYS 14 Cb -0.05 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1j0q h LYS 14 CO -0.04 0.36 2.09 0.72 -2.27 0.00 0.00 179.45 180.32 1j0q n HIS 15 N -4.83 3.24 -1.92 1.91 8.25 0.55 -4.37 115.22 118.05 1j0q n HIS 15 Ca 0.03 -2.23 0.00 0.00 -0.26 0.00 0.00 57.72 55.26 1j0q n HIS 15 Cb 0.08 -2.40 0.00 0.00 1.12 0.00 0.00 29.99 28.79 1j0q n HIS 15 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1j0q n ASN 16 N 9.45 0.00 -2.83 0.41 2.85 -0.83 -0.77 115.26 123.54 1j0q n ASN 16 Ca 0.49 -1.37 -0.11 0.00 -0.11 0.00 0.00 54.58 53.48 1j0q n ASN 16 Cb 0.43 -0.07 0.03 0.00 1.24 0.00 0.00 39.78 41.41 1j0q n ASN 16 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1j0q n ASN 17 N 0.00 -2.35 -2.50 1.20 5.15 -1.03 -4.95 115.26 110.78 1j0q n ASN 17 Ca 0.00 -3.22 -0.11 0.00 -0.60 0.00 0.00 54.58 50.65 1j0q n ASN 17 Cb 0.57 1.41 0.06 0.00 -0.53 0.00 0.00 39.78 41.29 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1j0q n SER 18 N 1.56 -2.34 0.11 1.20 2.88 -1.26 -4.67 113.62 111.10 1j0q n SER 18 Ca 0.11 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1j0q n SER 18 Cb 0.62 -3.37 0.00 0.00 -0.75 0.00 0.00 64.21 60.70 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 -2.99 0.00 -3.64 -1.46 4.76 -1.26 -5.10 118.16 108.46 1j0q n LYS 19 Ca -0.16 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.14 1j0q n LYS 19 Cb 0.60 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.72 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1j0q s SER 20 N -2.00 -0.38 -0.22 4.39 0.01 -1.26 -5.06 113.70 109.18 1j0q s SER 20 Ca 0.00 0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 1j0q s SER 20 Cb 0.00 0.43 0.07 0.00 0.21 0.00 0.00 66.02 66.73 1j0q s SER 20 CO 0.00 -0.58 0.08 -0.89 0.41 0.00 0.00 173.24 172.26 1j0q s THR 21 N -1.71 0.23 0.04 1.44 2.01 -1.25 -1.96 115.64 114.45 1j0q s THR 21 Ca -0.10 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1j0q s THR 21 Cb -0.02 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1j0q s THR 21 CO 0.04 -0.39 0.05 0.26 -0.69 0.00 0.00 174.62 173.88 1j0q s TRP 22 N 1.98 3.15 0.08 4.92 0.52 0.05 -1.85 118.94 127.78 1j0q s TRP 22 Ca 0.03 0.09 -0.09 0.00 0.02 0.00 0.00 56.10 56.15 1j0q s TRP 22 Cb -0.17 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 1j0q s TRP 22 CO -0.16 0.51 0.19 -0.51 0.02 0.00 0.00 176.95 177.00 1j0q s LEU 23 N -2.04 1.40 -0.27 2.99 1.02 0.23 0.08 118.68 122.07 1j0q s LEU 23 Ca 0.25 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.75 1j0q s LEU 23 Cb -0.12 1.03 -0.01 0.00 0.02 0.00 0.00 46.19 47.10 1j0q s LEU 23 CO 0.17 -0.69 0.09 -0.63 0.02 0.00 0.00 176.35 175.31 1j0q s ILE 24 N -3.54 4.29 -0.41 -0.59 1.01 -0.41 -0.70 121.20 120.85 1j0q s ILE 24 Ca 0.02 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1j0q s ILE 24 Cb 0.03 -3.09 0.12 0.00 0.01 0.00 0.00 42.46 39.53 1j0q s ILE 24 CO -0.09 0.22 0.16 -0.76 0.00 0.00 0.00 174.94 174.47 1j0q s LEU 25 N 1.59 3.86 -0.58 2.97 1.02 -0.94 -1.06 118.68 125.54 1j0q s LEU 25 Ca 0.05 -2.46 -0.01 0.00 0.02 0.00 0.00 54.13 51.73 1j0q s LEU 25 Cb -0.16 -1.41 0.00 0.00 0.02 0.00 0.00 46.19 44.64 1j0q s LEU 25 CO 0.04 -0.31 0.49 1.41 0.02 0.00 0.00 176.35 177.99 1j0q n HIS 26 N 3.82 -1.10 0.00 0.29 8.25 -1.26 -3.73 115.22 121.49 1j0q n HIS 26 Ca 0.04 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1j0q n HIS 26 Cb 0.37 -3.36 0.00 0.00 1.12 0.00 0.00 29.99 28.12 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 -2.71 0.00 -1.21 4.41 4.01 -1.26 -4.94 117.16 115.47 1j0q n TYR 27 Ca -0.11 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.30 1j0q n TYR 27 Cb 0.57 -0.40 0.11 0.00 -0.31 0.00 0.00 39.34 39.32 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 1.84 -0.07 -0.72 3.01 -1.24 -0.35 119.74 122.21 1j0q s LYS 28 Ca 0.00 1.61 0.03 0.00 -1.01 0.00 0.00 55.97 56.61 1j0q s LYS 28 Cb 0.00 -1.81 -0.02 0.00 -1.01 0.00 0.00 37.83 34.99 1j0q s LYS 28 CO 0.00 -2.03 -0.17 0.08 0.51 0.00 0.00 175.35 173.74 1j0q s VAL 29 N -2.30 2.80 -0.17 3.17 1.01 -0.21 -2.20 120.40 122.49 1j0q s VAL 29 Ca 0.70 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1j0q s VAL 29 Cb -0.25 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.07 1j0q s VAL 29 CO 0.50 0.57 -0.07 -0.31 0.00 0.00 0.00 175.10 175.79 1j0q s TYR 30 N -0.35 1.88 -0.05 5.22 1.51 0.13 -1.40 117.35 124.30 1j0q s TYR 30 Ca 0.03 -1.20 -0.09 0.00 -1.01 0.00 0.00 57.07 54.80 1j0q s TYR 30 Cb -0.12 -1.40 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1j0q s TYR 30 CO 0.02 -0.65 0.25 0.34 -1.11 0.00 0.00 175.55 174.40 1j0q s ASP 31 N 1.57 6.53 0.00 2.29 -1.08 -0.98 -0.60 116.67 124.39 1j0q s ASP 31 Ca 0.01 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.66 1j0q s ASP 31 Cb -0.15 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1j0q s ASP 31 CO -0.08 0.34 0.00 0.18 0.52 0.00 0.00 175.17 176.13 1j0q n LEU 32 N 1.69 0.00 0.00 -1.34 4.77 -0.77 -4.74 117.00 116.60 1j0q n LEU 32 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1j0q n LEU 32 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1j0q n LEU 32 CO 0.36 -0.14 0.00 0.41 -1.33 0.00 0.00 177.39 176.69 1j0q n THR 33 N -1.42 0.00 0.00 -5.08 -1.04 -1.26 -3.92 114.28 101.56 1j0q n THR 33 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1j0q n THR 33 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 0.49 0.00 -2.82 1.57 -1.96 -3.32 116.57 110.53 1j0q h LYS 34 Ca 0.00 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1j0q h LYS 34 Cb 0.00 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1j0q h LYS 34 CO 0.00 1.13 -0.07 0.35 -0.57 0.00 0.00 179.45 180.29 1j0q h PHE 35 N 0.04 0.00 -1.07 -1.35 3.57 -1.97 -0.31 116.94 115.85 1j0q h PHE 35 Ca -0.07 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.80 1j0q h PHE 35 Cb 1.34 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.93 1j0q h PHE 35 CO 0.13 0.07 0.62 -0.07 -2.23 0.00 0.00 178.31 176.83 1j0q h LEU 36 N 0.00 0.40 -0.24 0.59 3.38 -1.88 0.30 115.31 117.86 1j0q h LEU 36 Ca -0.00 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1j0q h LEU 36 Cb 0.16 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1j0q h LEU 36 CO 0.01 -0.23 0.10 -0.08 0.09 0.00 0.00 178.44 178.33 1j0q h GLU 37 N 0.18 0.36 0.10 1.13 4.81 -1.28 -3.32 114.58 116.57 1j0q h GLU 37 Ca 0.78 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.94 1j0q h GLU 37 Cb 2.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.34 1j0q h GLU 37 CO -0.61 0.40 -0.05 1.49 -0.73 0.00 0.00 179.01 179.51 1j0q h GLU 38 N 0.24 -0.13 -5.81 1.92 4.22 -0.71 -3.48 114.58 110.83 1j0q h GLU 38 Ca 0.08 0.01 -0.83 0.00 0.08 0.00 0.00 59.36 58.70 1j0q h GLU 38 Cb 0.18 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1j0q h GLU 38 CO -0.01 0.37 0.81 1.58 -2.18 0.00 0.00 179.01 179.58 1j0q n HIS 39 N -4.85 1.57 -0.31 0.92 -0.00 0.63 -4.86 115.22 108.32 1j0q n HIS 39 Ca -0.08 1.03 0.17 0.00 0.46 0.00 0.00 57.72 59.30 1j0q n HIS 39 Cb 0.28 -2.17 0.42 0.00 -0.12 0.00 0.00 29.99 28.40 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 5.73 0.56 0.00 1.57 0.11 -1.92 0.22 132.00 138.26 1j0q h PRO 40 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1j0q h PRO 40 Cb 1.34 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j0q h PRO 40 CO 0.97 0.37 0.00 0.41 -0.21 0.00 0.00 178.00 179.54 1j0q n GLY 41 N -1.42 -1.07 0.14 -0.55 0.00 -1.26 -5.01 105.19 96.02 1j0q n GLY 41 Ca 0.22 0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.48 -1.64 0.02 -0.02 0.00 0.76 -4.72 105.19 99.10 1j0q n GLY 42 Ca 0.01 -1.48 -0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.13 -0.01 -0.12 1.61 4.81 -1.84 -3.37 114.58 115.53 1j0q h GLU 43 Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1j0q h GLU 43 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1j0q h GLU 43 CO 0.00 -0.01 -0.07 0.39 -0.73 0.00 0.00 179.01 178.59 1j0q n GLU 44 N -2.76 -0.05 -0.20 1.92 1.02 -1.26 0.46 120.64 119.77 1j0q n GLU 44 Ca -0.00 0.60 0.01 0.00 -0.02 0.00 0.00 57.16 57.75 1j0q n GLU 44 Cb 0.00 -0.90 0.10 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.57 -0.47 2.62 3.04 -1.84 0.99 116.25 121.15 1j0q h VAL 45 Ca 0.02 -0.06 -0.10 0.00 -1.01 0.00 0.00 66.70 65.55 1j0q h VAL 45 Cb 0.05 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 29.68 1j0q h VAL 45 CO -0.11 0.03 -0.10 0.25 -1.01 0.00 0.00 177.57 176.63 1j0q h LEU 46 N 0.18 0.84 -0.89 3.16 5.85 -0.16 -1.52 115.31 122.79 1j0q h LEU 46 Ca 0.32 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1j0q h LEU 46 Cb 0.49 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1j0q h LEU 46 CO -0.46 0.97 -0.51 -0.09 -0.34 0.00 0.00 178.44 178.01 1j0q h ARG 47 N 0.77 0.12 0.05 1.25 1.12 0.11 0.24 114.38 118.03 1j0q h ARG 47 Ca 0.13 -0.07 -0.23 0.00 -1.11 0.00 0.00 59.98 58.70 1j0q h ARG 47 Cb 0.60 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 1j0q h ARG 47 CO 0.04 0.60 -1.03 1.49 -3.11 0.00 0.00 179.97 177.96 1j0q h GLU 48 N 0.09 0.23 0.00 0.20 4.57 -0.60 -3.02 114.58 116.06 1j0q h GLU 48 Ca 0.00 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 1j0q h GLU 48 Cb 0.93 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1j0q h GLU 48 CO 0.07 1.08 -0.45 1.96 -1.18 0.00 0.00 179.01 180.48 1j0q h GLN 49 N 0.10 0.00 -7.26 1.92 1.08 -0.98 -3.46 115.11 106.52 1j0q h GLN 49 Ca -0.08 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.60 1j0q h GLN 49 Cb 1.71 0.00 0.20 0.00 -0.05 0.00 0.00 27.48 29.34 1j0q h GLN 49 CO 0.16 0.45 0.24 0.00 -0.95 0.00 0.00 178.83 178.74 1j0q n ALA 50 N -2.31 -0.67 -3.65 3.87 0.00 0.80 -3.25 120.51 115.30 1j0q n ALA 50 Ca -0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.70 1j0q n ALA 50 Cb 0.57 -2.21 0.05 0.00 0.00 0.00 0.00 19.45 17.87 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 0.32 -0.38 3.65 0.00 0.00 0.11 -4.96 105.19 103.93 1j0q n GLY 51 Ca 0.12 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.53 0.19 3.59 -0.02 0.00 -1.20 -4.31 105.19 101.91 1j0q n GLY 52 Ca -0.20 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1j0q n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j0q s ASP 53 N -3.64 5.66 -0.12 1.61 1.01 -1.26 -1.28 116.67 118.64 1j0q s ASP 53 Ca 0.28 1.42 0.15 0.00 0.71 0.00 0.00 52.55 55.12 1j0q s ASP 53 Cb -0.00 -2.52 0.56 0.00 1.01 0.00 0.00 42.92 41.96 1j0q s ASP 53 CO -0.01 -1.88 1.47 0.00 0.21 0.00 0.00 175.17 174.96 1j0q n ALA 54 N 11.10 2.91 0.41 5.23 0.00 -0.22 -4.75 120.51 135.19 1j0q n ALA 54 Ca 0.25 -1.81 -0.18 0.00 0.00 0.00 0.00 53.44 51.70 1j0q n ALA 54 Cb 0.47 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 2.67 0.21 -0.05 0.00 2.02 -1.77 0.48 112.91 116.48 1j0q h THR 55 Ca 0.00 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1j0q h THR 55 Cb 1.33 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1j0q h THR 55 CO 0.20 0.01 -0.07 -0.33 0.37 0.00 0.00 175.52 175.69 1j0q h GLU 56 N -1.09 -0.10 -0.47 6.66 5.08 -1.90 -1.74 114.58 121.02 1j0q h GLU 56 Ca -0.10 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1j0q h GLU 56 Cb 0.80 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 1j0q h GLU 56 CO 0.17 -0.07 0.14 -0.97 -1.00 0.00 0.00 179.01 177.28 1j0q h ASN 57 N -0.11 0.11 -0.07 1.42 -0.73 -1.87 0.26 115.58 114.59 1j0q h ASN 57 Ca 0.05 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.31 1j0q h ASN 57 Cb 0.17 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 1j0q h ASN 57 CO -0.11 0.09 -0.15 0.15 -0.37 0.00 0.00 177.43 177.04 1j0q h PHE 58 N 0.30 -0.37 -0.79 0.67 3.57 -0.47 -1.50 116.94 118.34 1j0q h PHE 58 Ca 0.23 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1j0q h PHE 58 Cb 0.26 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1j0q h PHE 58 CO -0.18 -0.22 0.31 0.93 -2.23 0.00 0.00 178.31 176.93 1j0q h GLU 59 N -0.21 1.17 -0.61 1.11 4.39 -0.73 -3.06 114.58 116.64 1j0q h GLU 59 Ca 0.07 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.61 1j0q h GLU 59 Cb 0.31 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 1j0q h GLU 59 CO -0.19 0.95 0.34 0.22 -1.16 0.00 0.00 179.01 179.17 1j0q h ASP 60 N 1.14 0.53 0.40 1.42 3.58 -0.09 0.20 116.42 123.61 1j0q h ASP 60 Ca 0.26 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1j0q h ASP 60 Cb 0.21 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1j0q h ASP 60 CO -0.02 0.35 0.00 1.41 -2.88 0.00 0.00 179.24 178.10 1j0q n HIS 61 N -4.79 0.28 -3.26 0.28 8.25 -0.60 -4.90 115.22 110.47 1j0q n HIS 61 Ca 0.06 0.12 -0.17 0.00 -0.26 0.00 0.00 57.72 57.48 1j0q n HIS 61 Cb 0.13 -0.69 0.07 0.00 1.12 0.00 0.00 29.99 30.61 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 -0.20 3.70 -1.41 0.00 0.69 -4.94 105.19 102.60 1j0q n GLY 62 Ca 0.02 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.07 2.03 -1.56 1.61 8.25 -1.24 -4.99 115.22 115.26 1j0q n HIS 63 Ca -0.08 0.47 -0.30 0.00 -0.26 0.00 0.00 57.72 57.55 1j0q n HIS 63 Cb 0.58 -2.35 0.09 0.00 1.12 0.00 0.00 29.99 29.44 1j0q n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1j0q s SER 64 N -0.73 4.48 0.17 0.41 0.01 -1.26 -4.81 113.70 111.98 1j0q s SER 64 Ca 0.66 1.29 -0.17 0.00 1.31 0.00 0.00 55.95 59.04 1j0q s SER 64 Cb -0.47 -2.03 0.11 0.00 0.21 0.00 0.00 66.02 63.85 1j0q s SER 64 CO 0.54 -1.97 1.65 0.00 0.41 0.00 0.00 173.24 173.87 1j0q h THR 65 N -1.09 0.49 -0.83 1.44 1.03 -1.98 -0.39 112.91 111.57 1j0q h THR 65 Ca -0.47 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.07 1j0q h THR 65 Cb 1.27 0.49 -0.09 0.00 -1.07 0.00 0.00 68.15 68.75 1j0q h THR 65 CO 0.59 0.00 0.43 0.44 -0.01 0.00 0.00 175.52 176.97 1j0q h ASP 66 N -0.05 0.53 -0.29 0.00 5.19 -1.98 0.50 116.42 120.31 1j0q h ASP 66 Ca 0.21 0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1j0q h ASP 66 Cb 0.37 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1j0q h ASP 66 CO -0.47 0.24 -0.05 0.00 -3.12 0.00 0.00 179.24 175.84 1j0q h ALA 67 N 1.54 0.40 0.42 3.45 0.00 -1.76 0.74 119.26 124.05 1j0q h ALA 67 Ca 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1j0q h ALA 67 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j0q h ALA 67 CO -0.34 0.20 -0.38 0.00 0.00 0.00 0.00 179.25 178.73 1j0q h ARG 68 N 0.32 -0.76 -0.79 0.00 3.08 0.72 0.12 114.38 117.07 1j0q h ARG 68 Ca 0.08 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.27 1j0q h ARG 68 Cb 0.52 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 30.64 1j0q h ARG 68 CO 0.03 -0.50 -0.42 0.39 -1.07 0.00 0.00 179.97 178.39 1j0q n GLU 69 N -4.71 -0.30 -0.23 0.04 -0.58 0.16 -0.50 120.64 114.52 1j0q n GLU 69 Ca -0.09 1.20 0.04 0.00 -0.42 0.00 0.00 57.16 57.89 1j0q n GLU 69 Cb 0.35 -1.77 0.16 0.00 -0.57 0.00 0.00 31.44 29.61 1j0q n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1j0q h LEU 70 N 0.00 0.04 -0.89 -4.62 -0.00 -0.49 0.39 115.31 109.74 1j0q h LEU 70 Ca 0.17 0.13 0.11 0.00 -0.00 0.00 0.00 57.88 58.29 1j0q h LEU 70 Cb 0.37 0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 41.12 1j0q h LEU 70 CO -0.76 -0.00 0.52 -1.28 -0.00 0.00 0.00 178.44 176.92 1j0q h SER 71 N 0.29 0.75 0.26 -0.43 0.87 0.19 0.58 113.55 116.05 1j0q h SER 71 Ca 0.38 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1j0q h SER 71 Cb 0.62 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1j0q h SER 71 CO -0.46 0.40 -0.29 0.11 -0.53 0.00 0.00 176.83 176.06 1j0q h LYS 72 N 0.84 -0.57 0.00 2.24 1.57 0.06 -1.48 116.57 119.23 1j0q h LYS 72 Ca 0.44 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.23 1j0q h LYS 72 Cb 0.44 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1j0q h LYS 72 CO -0.27 -0.38 -0.14 0.00 -0.57 0.00 0.00 179.45 178.10 1j0q h THR 73 N -0.59 0.83 0.00 -0.16 1.03 -0.94 -0.59 112.91 112.49 1j0q h THR 73 Ca -0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 1j0q h THR 73 Cb 0.55 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1j0q h THR 73 CO -0.08 0.13 0.00 -0.26 -0.01 0.00 0.00 175.52 175.30 1j0q h PHE 74 N 0.00 0.00 -1.85 0.00 0.04 -0.04 -3.44 116.94 111.64 1j0q h PHE 74 Ca -0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 1j0q h PHE 74 Cb 0.29 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.45 1j0q h PHE 74 CO 0.00 0.00 1.22 -0.89 -0.60 0.00 0.00 178.31 178.04 1j0q n ILE 75 N -2.40 0.48 0.47 -0.55 5.41 -0.23 -2.33 119.36 120.20 1j0q n ILE 75 Ca 0.03 -0.19 0.06 0.00 1.00 0.00 0.00 62.75 63.65 1j0q n ILE 75 Cb 0.30 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.21 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 5.95 0.00 -3.88 1.39 -5.35 -0.49 -4.95 119.36 112.03 1j0q n ILE 76 Ca 0.27 -0.23 -0.01 0.00 -0.27 0.00 0.00 62.75 62.52 1j0q n ILE 76 Cb 0.31 0.85 0.01 0.00 -1.74 0.00 0.00 39.64 39.07 1j0q n ILE 76 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1j0q s GLY 77 N -2.39 -0.04 0.05 3.28 0.00 -1.10 -4.77 107.32 102.35 1j0q s GLY 77 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.67 1j0q s GLY 77 CO 0.50 3.09 -0.03 -0.54 0.00 0.00 0.00 173.10 176.12 1j0q s GLU 78 N -2.22 0.59 -0.33 2.90 8.01 -1.26 -1.05 118.70 125.34 1j0q s GLU 78 Ca 0.23 -1.16 -0.23 0.00 0.01 0.00 0.00 54.97 53.82 1j0q s GLU 78 Cb -0.01 0.18 0.00 0.00 -4.31 0.00 0.00 34.13 29.99 1j0q s GLU 78 CO 0.02 -0.10 0.77 -1.17 0.01 0.00 0.00 175.26 174.79 1j0q s LEU 79 N -2.76 4.11 0.90 1.80 1.98 0.52 -0.37 118.68 124.86 1j0q s LEU 79 Ca 0.05 0.52 -0.17 0.00 -2.89 0.00 0.00 54.13 51.64 1j0q s LEU 79 Cb 0.06 -3.03 -0.14 0.00 0.66 0.00 0.00 46.19 43.74 1j0q s LEU 79 CO -0.09 -0.65 -0.58 1.57 -1.89 0.00 0.00 176.35 174.72 1j0q n HIS 80 N 6.26 -4.48 0.11 5.38 -0.00 0.34 -4.57 115.22 118.25 1j0q n HIS 80 Ca 0.03 0.08 -0.18 0.00 -0.00 0.00 0.00 57.72 57.65 1j0q n HIS 80 Cb 0.48 -1.51 -0.13 0.00 -0.00 0.00 0.00 29.99 28.83 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 -0.82 0.38 -0.85 1.57 0.11 -1.94 -1.75 132.00 128.69 1j0q h PRO 81 Ca -0.43 -0.60 -0.02 0.00 0.11 0.00 0.00 66.00 65.06 1j0q h PRO 81 Cb 1.33 0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.61 1j0q h PRO 81 CO 0.28 1.27 0.44 0.22 -0.21 0.00 0.00 178.00 180.00 1j0q h ASP 82 N 0.13 1.08 0.00 -2.05 3.58 -2.00 -3.36 116.42 113.80 1j0q h ASP 82 Ca -0.16 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1j0q h ASP 82 Cb 1.96 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.74 1j0q h ASP 82 CO 0.22 0.89 0.00 0.47 -2.88 0.00 0.00 179.24 177.94 1j0q n ASP 83 N -4.35 0.00 0.00 2.28 9.92 -1.25 -5.19 116.55 117.97 1j0q n ASP 83 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1j0q n ASP 83 Cb 0.11 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87