#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 1.73 -0.25 0.00 -7.23 -1.26 -5.01 120.40 108.38 1j0q s VAL 4 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.10 1j0q s VAL 4 Cb 0.00 -2.31 -0.12 0.00 0.56 0.00 0.00 36.38 34.51 1j0q s VAL 4 CO 0.00 0.00 -0.28 0.29 -0.31 0.00 0.00 175.10 174.80 1j0q n LYS 5 N -4.83 0.55 -3.22 4.82 4.76 -1.26 -5.03 118.16 113.95 1j0q n LYS 5 Ca 0.08 0.20 -0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1j0q n LYS 5 Cb 0.58 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1j0q n TYR 6 N -3.79 -1.15 -1.24 2.13 4.01 -1.26 -4.90 117.16 110.95 1j0q n TYR 6 Ca -0.47 0.47 -0.49 0.00 -0.16 0.00 0.00 57.90 57.26 1j0q n TYR 6 Cb 0.88 -1.53 -0.07 0.00 -0.31 0.00 0.00 39.34 38.32 1j0q n TYR 6 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1j0q n TYR 7 N -1.67 0.53 -3.01 -0.72 4.01 -0.92 -4.48 117.16 110.90 1j0q n TYR 7 Ca -0.18 0.88 -0.33 0.00 -0.16 0.00 0.00 57.90 58.11 1j0q n TYR 7 Cb 0.39 -1.73 -0.06 0.00 -0.31 0.00 0.00 39.34 37.63 1j0q n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1j0q s THR 8 N -0.00 4.56 0.38 -0.72 -4.23 -1.26 -0.51 115.64 113.85 1j0q s THR 8 Ca 0.75 1.18 0.14 0.00 -1.18 0.00 0.00 61.69 62.58 1j0q s THR 8 Cb -1.05 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 69.53 1j0q s THR 8 CO 0.47 -0.23 1.84 0.25 -0.54 0.00 0.00 174.62 176.41 1j0q h LEU 9 N 2.14 0.53 -0.28 4.79 6.46 -1.93 0.18 115.31 127.20 1j0q h LEU 9 Ca -0.48 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1j0q h LEU 9 Cb 1.18 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.02 1j0q h LEU 9 CO 0.64 0.21 -0.29 -0.08 -0.62 0.00 0.00 178.44 178.30 1j0q h GLU 10 N 0.53 -0.15 -0.84 1.25 4.81 -1.99 0.90 114.58 119.09 1j0q h GLU 10 Ca 0.50 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1j0q h GLU 10 Cb 1.06 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1j0q h GLU 10 CO -0.23 -0.10 0.48 0.93 -0.73 0.00 0.00 179.01 179.36 1j0q h GLU 11 N -0.15 1.16 -0.14 1.92 4.39 -1.30 0.24 114.58 120.69 1j0q h GLU 11 Ca 0.05 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1j0q h GLU 11 Cb 0.28 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1j0q h GLU 11 CO -0.34 0.84 0.07 0.82 -1.16 0.00 0.00 179.01 179.24 1j0q h ILE 12 N 1.16 1.12 -0.22 3.13 2.04 -0.29 0.18 117.51 124.63 1j0q h ILE 12 Ca 0.30 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1j0q h ILE 12 Cb 0.01 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1j0q h ILE 12 CO -0.05 0.11 -0.08 1.56 0.00 0.00 0.00 178.15 179.68 1j0q h GLN 13 N 0.11 -0.04 -0.82 2.37 1.08 -0.54 -2.23 115.11 115.04 1j0q h GLN 13 Ca 0.05 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.42 1j0q h GLN 13 Cb 0.11 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.44 1j0q h GLN 13 CO -0.01 -0.03 0.33 -0.22 -0.95 0.00 0.00 178.83 177.96 1j0q h LYS 14 N -0.04 0.42 -4.08 1.46 1.63 -0.27 -3.28 116.57 112.39 1j0q h LYS 14 Ca 0.11 -0.03 -0.69 0.00 -0.85 0.00 0.00 60.65 59.19 1j0q h LYS 14 Cb 0.22 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1j0q h LYS 14 CO -0.25 0.28 2.96 0.72 -3.45 0.00 0.00 179.45 179.70 1j0q n HIS 15 N -5.02 3.13 -3.00 1.91 8.25 0.58 -4.54 115.22 116.53 1j0q n HIS 15 Ca 0.17 -2.71 -0.09 0.00 -0.26 0.00 0.00 57.72 54.83 1j0q n HIS 15 Cb 0.50 -2.36 -0.02 0.00 1.12 0.00 0.00 29.99 29.23 1j0q n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1j0q s ASN 16 N 3.59 -0.70 -0.00 0.41 3.84 -1.24 -0.86 114.94 119.97 1j0q s ASN 16 Ca 0.50 -1.81 0.16 0.00 0.21 0.00 0.00 52.86 51.91 1j0q s ASN 16 Cb 0.14 1.37 0.26 0.00 -0.55 0.00 0.00 41.25 42.47 1j0q s ASN 16 CO -0.04 -0.11 1.11 -3.20 -2.79 0.00 0.00 177.10 172.06 1j0q n ASN 17 N 3.28 0.22 -3.51 -4.21 4.05 -1.26 -5.01 115.26 108.82 1j0q n ASN 17 Ca 0.18 -2.00 -0.22 0.00 0.45 0.00 0.00 54.58 52.99 1j0q n ASN 17 Cb 0.54 -0.07 0.05 0.00 1.23 0.00 0.00 39.78 41.54 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1j0q n SER 18 N 0.29 -4.74 0.16 1.20 7.64 -1.26 -4.84 113.62 112.07 1j0q n SER 18 Ca -0.07 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1j0q n SER 18 Cb 0.97 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 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 -3.84 0.00 -2.79 1.43 4.76 -1.26 -5.00 118.16 111.46 1j0q n LYS 19 Ca -0.14 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 1j0q n LYS 19 Cb 0.63 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.86 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 -3.22 -2.45 -4.60 4.39 7.64 -1.26 -4.86 113.62 109.25 1j0q n SER 20 Ca 0.00 -3.33 -0.43 0.00 1.01 0.00 0.00 58.87 56.12 1j0q n SER 20 Cb 0.00 1.60 -0.02 0.00 -1.01 0.00 0.00 64.21 64.77 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 0.38 3.98 0.18 0.44 2.01 -1.26 -4.51 115.64 116.87 1j0q s THR 21 Ca 0.30 1.00 0.01 0.00 0.31 0.00 0.00 61.69 63.31 1j0q s THR 21 Cb 0.24 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1j0q s THR 21 CO -0.19 -0.83 0.35 0.26 -0.69 0.00 0.00 174.62 173.52 1j0q s TRP 22 N 5.19 3.48 0.11 4.92 0.52 -0.04 -1.48 118.94 131.64 1j0q s TRP 22 Ca 0.58 0.24 -0.13 0.00 0.02 0.00 0.00 56.10 56.82 1j0q s TRP 22 Cb -0.12 -1.77 0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1j0q s TRP 22 CO 0.32 0.43 0.30 -0.48 0.02 0.00 0.00 176.95 177.55 1j0q s LEU 23 N -3.31 0.87 -0.15 2.99 0.05 0.39 -0.02 118.68 119.50 1j0q s LEU 23 Ca 0.37 -0.47 -0.20 0.00 0.05 0.00 0.00 54.13 53.88 1j0q s LEU 23 Cb -0.11 1.47 -0.03 0.00 -2.05 0.00 0.00 46.19 45.47 1j0q s LEU 23 CO 0.29 -0.79 0.58 -0.63 -0.55 0.00 0.00 176.35 175.24 1j0q s ILE 24 N -3.82 5.09 -0.23 1.48 -1.09 -0.65 -0.88 121.20 121.10 1j0q s ILE 24 Ca 0.04 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 1j0q s ILE 24 Cb 0.03 -3.90 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 1j0q s ILE 24 CO -0.12 0.22 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.03 1j0q s LEU 25 N 1.23 2.36 -1.17 2.97 1.02 -0.50 -0.61 118.68 123.98 1j0q s LEU 25 Ca 0.29 -1.15 -0.06 0.00 0.02 0.00 0.00 54.13 53.23 1j0q s LEU 25 Cb -0.16 -1.07 0.01 0.00 0.02 0.00 0.00 46.19 44.99 1j0q s LEU 25 CO 0.12 -0.26 1.01 1.41 0.02 0.00 0.00 176.35 178.65 1j0q n HIS 26 N 4.74 -2.40 -1.05 0.29 8.25 -1.26 -1.75 115.22 122.03 1j0q n HIS 26 Ca -0.11 0.88 -0.05 0.00 -0.26 0.00 0.00 57.72 58.19 1j0q n HIS 26 Cb 0.44 -4.63 -0.02 0.00 1.12 0.00 0.00 29.99 26.91 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 -4.47 -0.02 -3.84 4.41 4.01 -1.26 -4.97 117.16 111.01 1j0q n TYR 27 Ca -0.06 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.47 1j0q n TYR 27 Cb 0.58 -2.18 -0.02 0.00 -0.31 0.00 0.00 39.34 37.41 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 -2.23 3.21 -0.11 -0.72 3.01 -0.72 -2.14 119.74 120.03 1j0q s LYS 28 Ca 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 55.97 54.04 1j0q s LYS 28 Cb 0.00 -2.78 -0.02 0.00 -1.01 0.00 0.00 37.83 34.02 1j0q s LYS 28 CO 0.00 0.30 -0.13 0.08 0.51 0.00 0.00 175.35 176.11 1j0q s VAL 29 N -2.09 3.09 -0.14 3.17 1.01 -0.06 -1.41 120.40 123.96 1j0q s VAL 29 Ca 0.37 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1j0q s VAL 29 Cb -0.09 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1j0q s VAL 29 CO 0.29 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.57 1j0q s TYR 30 N 0.13 1.49 -0.03 5.22 1.51 -0.06 -1.08 117.35 124.53 1j0q s TYR 30 Ca -0.06 -0.88 -0.03 0.00 -1.01 0.00 0.00 57.07 55.09 1j0q s TYR 30 Cb -0.15 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1j0q s TYR 30 CO 0.05 -0.56 0.13 0.34 -1.11 0.00 0.00 175.55 174.40 1j0q s ASP 31 N 1.71 6.08 0.00 2.29 -1.08 -1.05 -0.46 116.67 124.16 1j0q s ASP 31 Ca 0.02 0.29 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 1j0q s ASP 31 Cb -0.14 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 1j0q s ASP 31 CO -0.08 0.30 0.00 0.18 0.52 0.00 0.00 175.17 176.09 1j0q n LEU 32 N 1.26 0.00 0.00 -1.34 4.77 -0.55 -4.80 117.00 116.34 1j0q n LEU 32 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1j0q n LEU 32 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1j0q n LEU 32 CO 0.39 -0.50 0.00 0.41 -1.33 0.00 0.00 177.39 176.36 1j0q n THR 33 N -2.50 0.00 -0.29 -5.08 -1.04 -1.26 -3.14 114.28 100.97 1j0q n THR 33 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1j0q n THR 33 Cb 0.00 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.51 0.00 -2.82 3.64 -1.96 -0.22 116.57 115.72 1j0q h LYS 34 Ca 0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1j0q h LYS 34 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1j0q h LYS 34 CO 0.00 0.33 -0.29 0.35 -2.27 0.00 0.00 179.45 177.58 1j0q h PHE 35 N 0.52 0.00 -0.99 1.91 3.57 -1.95 -2.56 116.94 117.43 1j0q h PHE 35 Ca 0.52 0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.20 1j0q h PHE 35 Cb 1.13 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.77 1j0q h PHE 35 CO -0.00 0.29 0.62 -0.07 -2.23 0.00 0.00 178.31 176.91 1j0q h LEU 36 N 0.00 0.78 0.51 0.59 3.38 -1.31 0.43 115.31 119.69 1j0q h LEU 36 Ca -0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1j0q h LEU 36 Cb 0.62 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1j0q h LEU 36 CO 0.04 0.31 -0.25 -0.08 0.09 0.00 0.00 178.44 178.55 1j0q h GLU 37 N 0.78 -0.67 -0.95 1.13 4.22 -1.58 -3.18 114.58 114.32 1j0q h GLU 37 Ca 0.55 0.05 0.03 0.00 0.08 0.00 0.00 59.36 60.07 1j0q h GLU 37 Cb 0.85 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1j0q h GLU 37 CO -0.34 -0.41 0.63 0.93 -2.18 0.00 0.00 179.01 177.64 1j0q h GLU 38 N -0.76 1.19 -6.14 1.92 5.08 -1.27 -3.45 114.58 111.16 1j0q h GLU 38 Ca -0.07 -0.07 -0.58 0.00 -1.00 0.00 0.00 59.36 57.64 1j0q h GLU 38 Cb 0.56 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1j0q h GLU 38 CO 0.12 0.79 1.36 1.58 -1.00 0.00 0.00 179.01 181.85 1j0q n HIS 39 N -4.43 2.15 -0.23 4.33 -0.00 0.14 -4.88 115.22 112.29 1j0q n HIS 39 Ca 0.12 -0.16 0.14 0.00 0.46 0.00 0.00 57.72 58.29 1j0q n HIS 39 Cb 0.07 -2.73 0.44 0.00 -0.12 0.00 0.00 29.99 27.66 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 12.74 0.53 -0.15 1.57 0.11 -1.89 0.23 132.00 145.14 1j0q h PRO 40 Ca -0.43 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1j0q h PRO 40 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1j0q h PRO 40 CO 0.96 0.35 0.12 0.78 -0.21 0.00 0.00 178.00 180.00 1j0q h GLY 41 N 0.55 0.00 0.00 -0.55 0.00 -1.94 -3.49 103.07 97.64 1j0q h GLY 41 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1j0q h GLY 41 CO -0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1j0q n GLY 42 N -1.52 -0.49 0.08 4.60 0.00 0.82 -4.71 105.19 103.97 1j0q n GLY 42 Ca 0.01 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.08 -0.18 1.61 4.81 -1.84 -3.35 114.58 115.56 1j0q h GLU 43 Ca 0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1j0q h GLU 43 Cb 0.00 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1j0q h GLU 43 CO 0.00 0.20 -0.03 0.93 -0.73 0.00 0.00 179.01 179.38 1j0q h GLU 44 N -1.00 0.01 -0.10 1.92 5.08 -1.94 0.24 114.58 118.79 1j0q h GLU 44 Ca -0.01 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1j0q h GLU 44 Cb 0.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1j0q h GLU 44 CO 0.01 0.01 0.11 -0.24 -1.00 0.00 0.00 179.01 177.90 1j0q h VAL 45 N 0.01 0.55 0.01 3.13 3.04 -1.84 0.20 116.25 121.36 1j0q h VAL 45 Ca 0.08 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1j0q h VAL 45 Cb 0.12 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1j0q h VAL 45 CO -0.17 0.00 -0.01 0.25 -1.01 0.00 0.00 177.57 176.63 1j0q h LEU 46 N 0.00 -0.01 -1.45 3.16 7.12 -0.77 -3.35 115.31 120.01 1j0q h LEU 46 Ca 0.05 -0.74 -0.06 0.00 0.13 0.00 0.00 57.88 57.26 1j0q h LEU 46 Cb 0.27 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1j0q h LEU 46 CO -0.00 0.75 -0.26 0.03 -0.13 0.00 0.00 178.44 178.83 1j0q h ARG 47 N -0.80 0.02 -1.20 1.25 3.08 0.38 0.12 114.38 117.22 1j0q h ARG 47 Ca -0.00 -0.01 0.35 0.00 0.07 0.00 0.00 59.98 60.39 1j0q h ARG 47 Cb 0.76 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1j0q h ARG 47 CO 0.00 0.28 0.95 1.49 -1.07 0.00 0.00 179.97 181.62 1j0q h GLU 48 N 0.02 0.00 0.00 0.04 4.81 -0.78 -2.76 114.58 115.90 1j0q h GLU 48 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1j0q h GLU 48 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1j0q h GLU 48 CO 0.03 0.00 -1.47 1.04 -0.73 0.00 0.00 179.01 177.88 1j0q n GLN 49 N -3.96 2.60 -1.55 1.92 1.13 0.10 -5.03 117.38 112.60 1j0q n GLN 49 Ca 0.26 -0.01 -0.37 0.00 -1.94 0.00 0.00 57.00 54.94 1j0q n GLN 49 Cb 1.34 -1.18 0.06 0.00 0.11 0.00 0.00 30.24 30.56 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j0q n ALA 50 N -2.22 -0.17 -3.87 -1.58 0.00 0.18 -1.77 120.51 111.08 1j0q n ALA 50 Ca -0.11 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 1j0q n ALA 50 Cb 0.68 -2.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.37 -0.38 1.30 0.00 0.00 0.97 -4.86 105.19 103.59 1j0q n GLY 51 Ca 0.13 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.87 0.39 3.77 -0.02 0.00 -0.73 -4.23 105.19 102.50 1j0q n GLY 52 Ca -0.27 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.95 6.70 -0.02 1.61 2.15 -1.26 -1.64 116.67 122.27 1j0q s ASP 53 Ca 0.10 2.70 0.03 0.00 0.43 0.00 0.00 52.55 55.81 1j0q s ASP 53 Cb -0.00 -2.65 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1j0q s ASP 53 CO -0.01 -0.59 0.85 0.00 -0.17 0.00 0.00 175.17 175.25 1j0q n ALA 54 N 0.69 1.69 0.38 3.66 0.00 0.22 -4.76 120.51 122.40 1j0q n ALA 54 Ca 0.01 -1.07 -0.18 0.00 0.00 0.00 0.00 53.44 52.20 1j0q n ALA 54 Cb 0.42 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 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 3.50 0.28 0.65 0.00 2.02 -1.55 0.63 112.91 118.45 1j0q h THR 55 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1j0q h THR 55 Cb 1.07 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1j0q h THR 55 CO 0.00 0.01 -0.31 -0.08 0.37 0.00 0.00 175.52 175.51 1j0q h GLU 56 N -1.00 -0.84 -0.44 6.66 4.81 -1.92 -0.69 114.58 121.15 1j0q h GLU 56 Ca -0.10 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1j0q h GLU 56 Cb 0.74 0.19 -0.09 0.00 0.63 0.00 0.00 28.75 30.21 1j0q h GLU 56 CO 0.16 -0.56 -0.22 -0.97 -0.73 0.00 0.00 179.01 176.68 1j0q h ASN 57 N -0.87 -0.76 0.60 1.04 -0.73 -1.91 0.94 115.58 113.88 1j0q h ASN 57 Ca -0.09 0.17 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 1j0q h ASN 57 Cb 0.67 0.41 0.00 0.00 0.27 0.00 0.00 38.32 39.67 1j0q h ASN 57 CO 0.15 -0.25 -0.29 0.15 -0.37 0.00 0.00 177.43 176.81 1j0q h PHE 58 N -0.13 -0.76 -0.09 0.67 3.57 -0.71 -0.94 116.94 118.54 1j0q h PHE 58 Ca 0.21 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1j0q h PHE 58 Cb 0.46 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1j0q h PHE 58 CO -0.48 -0.47 0.04 1.49 -2.23 0.00 0.00 178.31 176.66 1j0q h GLU 59 N -0.81 0.13 -0.23 1.11 4.57 -0.66 -2.25 114.58 116.44 1j0q h GLU 59 Ca -0.08 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1j0q h GLU 59 Cb 0.62 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.12 1j0q h GLU 59 CO 0.13 0.24 -0.44 0.22 -1.18 0.00 0.00 179.01 177.98 1j0q h ASP 60 N -0.01 -1.42 -0.03 1.04 3.58 -0.88 -0.05 116.42 118.65 1j0q h ASP 60 Ca 0.03 0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 1j0q h ASP 60 Cb 0.16 0.59 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 1j0q h ASP 60 CO -0.00 -0.41 -0.03 1.57 -2.88 0.00 0.00 179.24 177.48 1j0q n HIS 61 N -5.43 0.08 -1.29 0.28 -0.00 -0.36 -4.90 115.22 103.60 1j0q n HIS 61 Ca -0.03 -1.12 -0.15 0.00 0.46 0.00 0.00 57.72 56.88 1j0q n HIS 61 Cb 0.36 -0.68 -0.09 0.00 -0.12 0.00 0.00 29.99 29.46 1j0q n HIS 61 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j0q n GLY 62 N 1.59 -0.22 2.70 1.57 0.00 -0.03 -4.82 105.19 105.97 1j0q n GLY 62 Ca 0.08 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j0q n GLY 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1j0q n HIS 63 N 14.75 3.38 -0.64 1.61 1.44 -1.26 -4.88 115.22 129.62 1j0q n HIS 63 Ca 0.32 -2.96 0.08 0.00 -2.01 0.00 0.00 57.72 53.15 1j0q n HIS 63 Cb 0.46 -2.53 -0.03 0.00 0.12 0.00 0.00 29.99 28.01 1j0q n HIS 63 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1j0q n SER 64 N 5.89 -3.81 -0.33 4.39 2.88 -1.26 -4.09 113.62 117.29 1j0q n SER 64 Ca 0.55 0.42 0.01 0.00 -1.33 0.00 0.00 58.87 58.52 1j0q n SER 64 Cb 0.37 -2.03 0.15 0.00 -0.75 0.00 0.00 64.21 61.95 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 -0.61 1.06 -0.10 2.46 1.35 -1.99 -3.27 112.91 111.80 1j0q h THR 65 Ca -0.03 -0.36 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 1j0q h THR 65 Cb 0.59 -0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1j0q h THR 65 CO 0.02 0.19 0.00 0.44 -0.25 0.00 0.00 175.52 175.92 1j0q h ASP 66 N 1.05 0.18 -0.60 5.36 5.19 -1.99 0.42 116.42 126.02 1j0q h ASP 66 Ca 0.40 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 1j0q h ASP 66 Cb 0.17 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1j0q h ASP 66 CO -0.17 0.44 0.07 0.00 -3.12 0.00 0.00 179.24 176.46 1j0q h ALA 67 N 0.75 0.95 -0.62 3.45 0.00 -1.71 -0.30 119.26 121.78 1j0q h ALA 67 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1j0q h ALA 67 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1j0q h ALA 67 CO 0.00 0.65 0.34 -0.09 0.00 0.00 0.00 179.25 180.15 1j0q h ARG 68 N 0.97 0.86 0.03 0.00 2.43 -1.37 0.25 114.38 117.55 1j0q h ARG 68 Ca 0.19 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1j0q h ARG 68 Cb 0.46 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1j0q h ARG 68 CO 0.02 0.66 -0.01 1.49 -1.51 0.00 0.00 179.97 180.61 1j0q h GLU 69 N 0.84 -0.03 -0.98 0.20 4.81 0.20 -1.64 114.58 117.97 1j0q h GLU 69 Ca 0.22 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.64 1j0q h GLU 69 Cb 0.05 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 1j0q h GLU 69 CO -0.03 0.06 0.61 -0.07 -0.73 0.00 0.00 179.01 178.85 1j0q h LEU 70 N -0.12 0.70 -0.33 1.64 -0.00 -0.64 -2.27 115.31 114.30 1j0q h LEU 70 Ca -0.00 0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 1j0q h LEU 70 Cb 0.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1j0q h LEU 70 CO 0.01 0.27 -0.02 0.77 -0.00 0.00 0.00 178.44 179.46 1j0q h SER 71 N 0.69 0.58 0.03 -0.43 4.64 0.41 0.00 113.55 119.47 1j0q h SER 71 Ca 0.55 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1j0q h SER 71 Cb 0.95 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1j0q h SER 71 CO -0.32 0.77 -0.09 0.07 -0.87 0.00 0.00 176.83 176.39 1j0q h LYS 72 N 0.39 0.16 0.00 4.77 5.09 -0.85 0.19 116.57 126.31 1j0q h LYS 72 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 60.65 60.76 1j0q h LYS 72 Cb 0.48 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.78 1j0q h LYS 72 CO 0.02 0.26 -0.19 1.15 -2.09 0.00 0.00 179.45 178.60 1j0q h THR 73 N 0.16 0.52 0.00 0.07 2.02 -0.80 -2.94 112.91 111.95 1j0q h THR 73 Ca 0.03 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1j0q h THR 73 Cb 0.26 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1j0q h THR 73 CO 0.01 0.19 -0.35 0.49 0.37 0.00 0.00 175.52 176.23 1j0q n PHE 74 N -3.43 0.11 -1.63 3.16 3.72 0.58 -4.91 117.46 115.06 1j0q n PHE 74 Ca -0.00 0.03 -0.54 0.00 -0.05 0.00 0.00 57.45 56.89 1j0q n PHE 74 Cb 0.38 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.61 0.12 -0.01 4.37 5.41 -0.78 -2.53 119.36 124.33 1j0q n ILE 75 Ca 0.06 -0.02 0.02 0.00 1.00 0.00 0.00 62.75 63.81 1j0q n ILE 75 Cb 0.35 -1.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.22 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 3.29 0.09 -3.50 1.39 -5.35 -0.24 -4.93 119.36 110.12 1j0q n ILE 76 Ca 0.21 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1j0q n ILE 76 Cb 0.18 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 2.18 -0.62 3.12 3.28 0.00 -1.19 -4.82 105.19 107.14 1j0q n GLY 77 Ca -0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.00 0.74 -0.61 1.61 8.01 -1.26 -0.89 118.70 125.31 1j0q s GLU 78 Ca 0.00 -1.29 -0.27 0.00 0.01 0.00 0.00 54.97 53.41 1j0q s GLU 78 Cb 0.00 0.23 0.01 0.00 -4.31 0.00 0.00 34.13 30.06 1j0q s GLU 78 CO 0.00 -0.18 1.48 -1.17 0.01 0.00 0.00 175.26 175.41 1j0q s LEU 79 N -2.97 3.33 -0.07 1.80 2.96 -0.91 -2.16 118.68 120.65 1j0q s LEU 79 Ca 0.13 0.15 -0.34 0.00 -0.22 0.00 0.00 54.13 53.86 1j0q s LEU 79 Cb 0.08 -2.84 -0.11 0.00 0.50 0.00 0.00 46.19 43.81 1j0q s LEU 79 CO -0.06 -1.88 1.89 1.57 -1.32 0.00 0.00 176.35 176.55 1j0q n HIS 80 N 10.20 2.35 0.22 5.38 -0.00 0.33 -4.82 115.22 128.88 1j0q n HIS 80 Ca 0.12 -0.04 0.08 0.00 -0.00 0.00 0.00 57.72 57.88 1j0q n HIS 80 Cb 0.50 -2.68 0.44 0.00 -0.00 0.00 0.00 29.99 28.25 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 9.30 0.00 -0.82 1.57 0.11 -1.93 -0.55 132.00 139.68 1j0q h PRO 81 Ca -0.49 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.84 1j0q h PRO 81 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1j0q h PRO 81 CO 0.95 0.00 0.57 0.22 -0.21 0.00 0.00 178.00 179.53 1j0q h ASP 82 N 0.00 0.16 -0.85 -2.05 3.58 -1.99 0.13 116.42 115.40 1j0q h ASP 82 Ca 0.00 0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.59 1j0q h ASP 82 Cb 0.72 -0.01 -0.14 0.00 1.72 0.00 0.00 39.33 41.62 1j0q h ASP 82 CO 0.00 0.07 -0.34 -0.67 -2.88 0.00 0.00 179.24 175.41 1j0q n ASP 83 N -4.38 -0.57 -0.46 2.28 2.03 -0.22 -5.14 116.55 110.08 1j0q n ASP 83 Ca 0.17 1.49 0.14 0.00 0.52 0.00 0.00 54.79 57.11 1j0q n ASP 83 Cb 0.78 -0.33 0.54 0.00 -0.72 0.00 0.00 41.12 41.39 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82