#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 0.01 0.00 0.24 -1.26 -4.47 118.33 112.86 1j0q n VAL 4 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1j0q n VAL 4 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1j0q n VAL 4 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1j0q n LYS 5 N 14.00 0.00 -1.23 7.34 4.81 -1.26 -5.16 118.16 136.66 1j0q n LYS 5 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1j0q n LYS 5 Cb 0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 35.03 34.71 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1j0q n TYR 6 N -2.90 -3.35 -3.75 5.64 4.01 -1.26 -5.00 117.16 110.55 1j0q n TYR 6 Ca 0.00 1.82 -0.15 0.00 -0.16 0.00 0.00 57.90 59.42 1j0q n TYR 6 Cb 0.28 -2.95 -0.15 0.00 -0.31 0.00 0.00 39.34 36.21 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 -4.82 -0.08 0.46 -0.72 2.02 0.20 -4.81 117.35 109.60 1j0q s TYR 7 Ca 0.00 0.35 -0.20 0.00 -0.37 0.00 0.00 57.07 56.86 1j0q s TYR 7 Cb 0.00 -0.17 -0.10 0.00 -0.40 0.00 0.00 41.96 41.29 1j0q s TYR 7 CO 0.00 -0.15 0.97 0.95 -1.57 0.00 0.00 175.55 175.75 1j0q s THR 8 N 1.24 4.39 0.30 -0.71 -4.23 -1.26 -0.56 115.64 114.82 1j0q s THR 8 Ca -0.08 1.38 0.06 0.00 -1.18 0.00 0.00 61.69 61.87 1j0q s THR 8 Cb -0.12 -3.62 0.29 0.00 1.34 0.00 0.00 72.50 70.39 1j0q s THR 8 CO -0.05 -0.43 1.73 0.25 -0.54 0.00 0.00 174.62 175.58 1j0q h LEU 9 N 1.57 0.55 -0.57 4.79 7.12 -1.94 0.23 115.31 127.07 1j0q h LEU 9 Ca -0.48 0.13 0.05 0.00 0.13 0.00 0.00 57.88 57.71 1j0q h LEU 9 Cb 1.18 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 41.30 1j0q h LEU 9 CO 0.61 0.10 -0.37 -0.08 -0.13 0.00 0.00 178.44 178.57 1j0q h GLU 10 N 0.55 -0.04 -0.31 1.25 4.81 -1.99 0.15 114.58 119.00 1j0q h GLU 10 Ca 0.59 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1j0q h GLU 10 Cb 1.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1j0q h GLU 10 CO -0.47 -0.03 0.18 0.93 -0.73 0.00 0.00 179.01 178.89 1j0q h GLU 11 N -0.04 0.42 -0.09 1.92 4.39 -1.27 -0.82 114.58 119.08 1j0q h GLU 11 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1j0q h GLU 11 Cb 0.28 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1j0q h GLU 11 CO -0.56 0.34 0.06 0.82 -1.16 0.00 0.00 179.01 178.52 1j0q h ILE 12 N 0.38 1.03 -0.16 3.13 2.04 0.13 0.55 117.51 124.60 1j0q h ILE 12 Ca 0.11 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1j0q h ILE 12 Cb 0.04 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1j0q h ILE 12 CO -0.02 0.03 -0.31 1.56 0.00 0.00 0.00 178.15 179.41 1j0q h GLN 13 N 0.12 -0.35 -0.50 2.37 1.08 -0.68 -2.45 115.11 114.69 1j0q h GLN 13 Ca 0.03 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1j0q h GLN 13 Cb -0.01 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1j0q h GLN 13 CO -0.01 -0.23 0.34 -0.22 -0.95 0.00 0.00 178.83 177.76 1j0q h LYS 14 N -0.36 0.51 -3.68 1.46 3.64 0.37 -3.06 116.57 115.45 1j0q h LYS 14 Ca 0.11 -0.03 -0.68 0.00 -1.27 0.00 0.00 60.65 58.78 1j0q h LYS 14 Cb 0.53 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1j0q h LYS 14 CO -0.37 0.34 3.30 0.72 -2.27 0.00 0.00 179.45 181.17 1j0q n HIS 15 N -4.47 2.95 -2.13 1.91 8.25 0.18 -3.65 115.22 118.25 1j0q n HIS 15 Ca 0.06 -2.89 -0.02 0.00 -0.26 0.00 0.00 57.72 54.62 1j0q n HIS 15 Cb 0.18 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 28.84 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 5.27 -0.11 0.00 0.41 0.23 -0.96 -0.54 115.26 119.56 1j0q n ASN 16 Ca 0.60 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 1j0q n ASN 16 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.13 0.00 -0.71 0.53 2.85 -1.23 -4.91 115.26 111.91 1j0q n ASN 17 Ca -0.09 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.43 1j0q n ASN 17 Cb 0.77 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.87 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 0.00 1.21 -0.01 1.20 2.88 -1.26 -4.72 113.62 112.91 1j0q n SER 18 Ca 0.00 -2.69 -0.00 0.00 -1.33 0.00 0.00 58.87 54.84 1j0q n SER 18 Cb 0.00 -0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1j0q n SER 18 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1j0q h LYS 19 N 0.52 0.00 0.00 -1.46 1.79 -1.95 -3.51 116.57 111.95 1j0q h LYS 19 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1j0q h LYS 19 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1j0q h LYS 19 CO 0.03 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.83 1j0q n SER 20 N -2.61 0.00 -3.91 0.86 7.64 -1.26 -5.06 113.62 109.28 1j0q n SER 20 Ca -0.00 -0.96 -0.31 0.00 1.01 0.00 0.00 58.87 58.61 1j0q n SER 20 Cb 0.01 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.59 1.71 0.17 0.44 2.01 -1.25 -2.27 115.64 113.85 1j0q s THR 21 Ca 0.00 -1.94 0.05 0.00 0.31 0.00 0.00 61.69 60.11 1j0q s THR 21 Cb 0.00 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1j0q s THR 21 CO 0.00 -0.61 0.15 0.26 -0.69 0.00 0.00 174.62 173.72 1j0q s TRP 22 N 1.20 3.16 0.11 4.92 0.52 0.30 -1.44 118.94 127.71 1j0q s TRP 22 Ca 0.10 -0.01 -0.15 0.00 0.02 0.00 0.00 56.10 56.06 1j0q s TRP 22 Cb -0.18 -1.52 0.03 0.00 -1.15 0.00 0.00 33.47 30.65 1j0q s TRP 22 CO -0.15 0.52 0.37 -0.48 0.02 0.00 0.00 176.95 177.23 1j0q s LEU 23 N -3.13 0.58 -0.27 2.99 0.05 0.30 -0.06 118.68 119.13 1j0q s LEU 23 Ca 0.31 -0.34 -0.11 0.00 0.05 0.00 0.00 54.13 54.04 1j0q s LEU 23 Cb -0.10 1.69 -0.05 0.00 -2.05 0.00 0.00 46.19 45.68 1j0q s LEU 23 CO 0.24 -0.81 0.19 -0.63 -0.55 0.00 0.00 176.35 174.79 1j0q s ILE 24 N -3.66 5.32 -0.27 1.48 1.01 -0.51 -0.72 121.20 123.85 1j0q s ILE 24 Ca 0.02 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1j0q s ILE 24 Cb 0.02 -3.53 0.08 0.00 0.01 0.00 0.00 42.46 39.04 1j0q s ILE 24 CO -0.11 0.27 0.00 -0.76 0.00 0.00 0.00 174.94 174.34 1j0q s LEU 25 N 1.61 2.80 -1.10 2.97 1.02 -0.76 -0.70 118.68 124.52 1j0q s LEU 25 Ca 0.07 -1.43 -0.00 0.00 0.02 0.00 0.00 54.13 52.79 1j0q s LEU 25 Cb -0.15 -1.15 -0.00 0.00 0.02 0.00 0.00 46.19 44.90 1j0q s LEU 25 CO 0.09 -0.30 0.92 1.41 0.02 0.00 0.00 176.35 178.49 1j0q n HIS 26 N 4.66 -2.01 -2.34 0.29 8.25 -1.26 -2.66 115.22 120.15 1j0q n HIS 26 Ca -0.07 0.86 -0.16 0.00 -0.26 0.00 0.00 57.72 58.09 1j0q n HIS 26 Cb 0.43 -4.82 -0.01 0.00 1.12 0.00 0.00 29.99 26.71 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 -3.86 -1.15 -4.39 4.41 4.02 -1.26 -4.98 117.16 109.96 1j0q n TYR 27 Ca -0.26 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.43 1j0q n TYR 27 Cb 0.66 -3.26 -0.10 0.00 -0.02 0.00 0.00 39.34 36.61 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1j0q s LYS 28 N -4.89 1.48 -0.09 -0.72 -0.14 -1.09 -4.18 119.74 110.12 1j0q s LYS 28 Ca 0.00 -1.76 0.04 0.00 -1.36 0.00 0.00 55.97 52.88 1j0q s LYS 28 Cb 0.00 -0.86 -0.01 0.00 -1.68 0.00 0.00 37.83 35.28 1j0q s LYS 28 CO 0.00 -0.07 -0.20 0.08 -0.76 0.00 0.00 175.35 174.40 1j0q s VAL 29 N -3.25 2.43 -0.20 3.17 1.01 -0.16 -1.83 120.40 121.57 1j0q s VAL 29 Ca 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1j0q s VAL 29 Cb 0.06 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.54 1j0q s VAL 29 CO 0.11 0.56 -0.07 -0.31 0.00 0.00 0.00 175.10 175.39 1j0q s TYR 30 N 0.04 2.13 -0.17 5.22 1.51 0.10 -1.50 117.35 124.68 1j0q s TYR 30 Ca -0.08 -1.45 -0.13 0.00 -1.01 0.00 0.00 57.07 54.40 1j0q s TYR 30 Cb -0.15 -1.50 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 1j0q s TYR 30 CO 0.05 -0.71 0.28 0.34 -1.11 0.00 0.00 175.55 174.40 1j0q s ASP 31 N 1.49 6.40 -0.11 2.29 -1.08 -1.03 -0.54 116.67 124.08 1j0q s ASP 31 Ca -0.02 0.46 0.15 0.00 -0.52 0.00 0.00 52.55 52.62 1j0q s ASP 31 Cb -0.17 -2.17 0.27 0.00 -1.46 0.00 0.00 42.92 39.39 1j0q s ASP 31 CO -0.07 0.09 1.14 0.18 0.52 0.00 0.00 175.17 177.02 1j0q n LEU 32 N 3.67 1.94 -0.24 -1.34 4.77 -0.52 -4.77 117.00 120.51 1j0q n LEU 32 Ca -0.12 -2.81 0.04 0.00 -0.03 0.00 0.00 56.01 53.08 1j0q n LEU 32 Cb 0.52 -0.35 0.16 0.00 -2.33 0.00 0.00 43.42 41.42 1j0q n LEU 32 CO 0.39 0.73 1.02 0.74 -1.33 0.00 0.00 177.39 178.94 1j0q h THR 33 N 1.67 0.71 0.00 -5.08 2.02 -1.94 0.66 112.91 110.94 1j0q h THR 33 Ca -0.01 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 1j0q h THR 33 Cb 1.11 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1j0q h THR 33 CO 0.00 0.08 -0.51 0.50 0.37 0.00 0.00 175.52 175.96 1j0q h LYS 34 N 0.46 0.00 0.00 6.66 3.11 -1.96 -3.18 116.57 121.67 1j0q h LYS 34 Ca 0.38 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 58.12 1j0q h LYS 34 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1j0q h LYS 34 CO -0.37 0.51 -0.50 0.35 -2.81 0.00 0.00 179.45 176.64 1j0q h PHE 35 N 0.00 0.00 -1.00 1.91 3.57 -0.18 -3.11 116.94 118.14 1j0q h PHE 35 Ca -0.01 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.87 1j0q h PHE 35 Cb 0.96 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.52 1j0q h PHE 35 CO 0.00 0.50 0.39 -0.07 -2.23 0.00 0.00 178.31 176.90 1j0q h LEU 36 N 0.00 0.09 0.16 0.59 3.38 -0.85 0.19 115.31 118.87 1j0q h LEU 36 Ca -0.00 0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1j0q h LEU 36 Cb 1.15 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 1j0q h LEU 36 CO 0.06 -0.41 -0.26 -0.33 0.09 0.00 0.00 178.44 177.59 1j0q h GLU 37 N 0.01 -0.44 -0.23 1.13 5.08 -1.74 -3.31 114.58 115.09 1j0q h GLU 37 Ca 0.77 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 59.08 1j0q h GLU 37 Cb 1.94 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1j0q h GLU 37 CO -0.81 -0.29 -0.20 0.93 -1.00 0.00 0.00 179.01 177.64 1j0q h GLU 38 N -0.45 0.53 -6.00 2.33 3.07 -1.36 -3.47 114.58 109.22 1j0q h GLU 38 Ca -0.02 -0.27 -0.70 0.00 -0.50 0.00 0.00 59.36 57.87 1j0q h GLU 38 Cb 0.42 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1j0q h GLU 38 CO -0.09 0.85 1.36 1.58 -1.40 0.00 0.00 179.01 181.31 1j0q n HIS 39 N -4.42 1.54 -1.53 4.33 -0.00 0.52 -4.86 115.22 110.80 1j0q n HIS 39 Ca -0.05 0.40 -0.45 0.00 0.46 0.00 0.00 57.72 58.09 1j0q n HIS 39 Cb 0.40 -2.47 -0.05 0.00 -0.12 0.00 0.00 29.99 27.75 1j0q n HIS 39 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1j0q n PRO 40 N 7.84 1.38 0.00 1.57 -0.02 -1.26 -0.72 135.00 143.79 1j0q n PRO 40 Ca 0.43 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1j0q n PRO 40 Cb 0.16 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 1j0q n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j0q n GLY 41 N 6.15 3.28 0.20 -1.23 0.00 -1.26 -5.13 105.19 107.21 1j0q n GLY 41 Ca 0.37 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -1.96 0.31 -0.02 0.00 0.10 -4.45 105.19 99.17 1j0q n GLY 42 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.19 -0.70 -0.20 1.61 4.81 -1.87 -3.29 114.58 114.74 1j0q h GLU 43 Ca -0.01 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1j0q h GLU 43 Cb 0.19 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1j0q h GLU 43 CO 0.01 -0.43 -0.12 0.39 -0.73 0.00 0.00 179.01 178.12 1j0q n GLU 44 N -5.27 -0.09 -0.15 1.92 4.71 -1.26 0.18 120.64 120.68 1j0q n GLU 44 Ca -0.10 0.47 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 1j0q n GLU 44 Cb 0.31 -0.70 0.26 0.00 -1.01 0.00 0.00 31.44 30.30 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 1j0q h VAL 45 N 0.00 1.19 -0.46 2.62 3.04 -1.78 0.13 116.25 120.98 1j0q h VAL 45 Ca 0.03 -0.47 -0.09 0.00 -1.01 0.00 0.00 66.70 65.16 1j0q h VAL 45 Cb 0.08 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 29.70 1j0q h VAL 45 CO -0.19 0.21 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.44 1j0q h LEU 46 N 0.86 0.86 -0.29 3.16 -0.00 -0.33 -2.76 115.31 116.80 1j0q h LEU 46 Ca 0.22 -0.34 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 1j0q h LEU 46 Cb 0.02 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 1j0q h LEU 46 CO -0.04 1.00 0.09 -0.09 -0.00 0.00 0.00 178.44 179.40 1j0q h ARG 47 N 0.70 0.46 -0.37 1.13 2.43 0.11 0.48 114.38 119.33 1j0q h ARG 47 Ca 0.12 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1j0q h ARG 47 Cb 0.60 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.00 1j0q h ARG 47 CO 0.04 0.52 -0.24 1.49 -1.51 0.00 0.00 179.97 180.26 1j0q h GLU 48 N 0.31 -0.18 0.00 0.20 4.57 -0.87 -2.70 114.58 115.91 1j0q h GLU 48 Ca 0.09 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.13 1j0q h GLU 48 Cb 0.26 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1j0q h GLU 48 CO -0.00 -0.12 -0.74 0.37 -1.18 0.00 0.00 179.01 177.34 1j0q h GLN 49 N -0.19 0.00 -7.30 1.92 5.75 -1.16 -3.47 115.11 110.67 1j0q h GLN 49 Ca 0.18 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 58.16 1j0q h GLN 49 Cb 0.47 0.00 0.14 0.00 1.07 0.00 0.00 27.48 29.16 1j0q h GLN 49 CO -0.48 0.74 0.31 0.00 -2.65 0.00 0.00 178.83 176.74 1j0q s ALA 50 N -3.06 2.15 -1.26 3.38 0.00 0.17 -3.42 121.76 119.72 1j0q s ALA 50 Ca 0.01 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1j0q s ALA 50 Cb 0.10 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1j0q s ALA 50 CO 0.78 -1.88 0.77 0.41 0.00 0.00 0.00 175.76 175.83 1j0q n GLY 51 N -0.93 -0.40 0.00 0.00 0.00 0.92 -4.80 105.19 99.98 1j0q n GLY 51 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.48 1.19 3.69 -0.02 0.00 -1.22 -4.18 105.19 103.17 1j0q n GLY 52 Ca -0.27 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.60 6.93 -0.10 1.61 -1.08 -1.26 -1.42 116.67 120.74 1j0q s ASP 53 Ca 0.00 1.13 0.14 0.00 -0.52 0.00 0.00 52.55 53.30 1j0q s ASP 53 Cb 0.00 -2.42 0.26 0.00 -1.46 0.00 0.00 42.92 39.30 1j0q s ASP 53 CO 0.00 -0.26 1.13 0.00 0.52 0.00 0.00 175.17 176.56 1j0q n ALA 54 N 4.57 2.47 0.51 3.66 0.00 0.13 -4.88 120.51 126.96 1j0q n ALA 54 Ca 0.01 -2.34 -0.20 0.00 0.00 0.00 0.00 53.44 50.91 1j0q n ALA 54 Cb 0.50 -0.44 -0.10 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 2.50 0.01 0.39 0.00 2.02 -1.77 0.12 112.91 116.17 1j0q h THR 55 Ca -0.02 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1j0q h THR 55 Cb 1.18 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1j0q h THR 55 CO 0.01 0.00 -0.30 -0.08 0.37 0.00 0.00 175.52 175.52 1j0q h GLU 56 N -1.34 -0.66 -0.62 6.66 4.81 -1.90 -2.08 114.58 119.44 1j0q h GLU 56 Ca -0.13 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1j0q h GLU 56 Cb 1.00 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.41 1j0q h GLU 56 CO 0.22 -0.44 -0.17 -0.97 -0.73 0.00 0.00 179.01 176.92 1j0q h ASN 57 N -0.69 -0.62 0.48 1.04 -1.24 -1.89 0.17 115.58 112.82 1j0q h ASN 57 Ca -0.03 0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1j0q h ASN 57 Cb 0.60 0.40 -0.02 0.00 0.73 0.00 0.00 38.32 40.03 1j0q h ASN 57 CO -0.01 -0.22 -0.40 0.15 -1.29 0.00 0.00 177.43 175.67 1j0q h PHE 58 N -0.01 -1.08 0.25 0.67 3.57 -0.51 -2.55 116.94 117.27 1j0q h PHE 58 Ca 0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1j0q h PHE 58 Cb 0.47 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1j0q h PHE 58 CO -0.52 -0.57 -0.12 0.93 -2.23 0.00 0.00 178.31 175.80 1j0q h GLU 59 N -0.87 -0.32 -0.77 1.11 4.39 -0.65 -3.00 114.58 114.47 1j0q h GLU 59 Ca -0.05 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.78 1j0q h GLU 59 Cb 0.75 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 29.36 1j0q h GLU 59 CO -0.02 -0.14 -0.33 -3.47 -1.16 0.00 0.00 179.01 173.89 1j0q n ASP 60 N -5.19 -0.56 0.00 1.42 2.03 0.51 -0.31 116.55 114.44 1j0q n ASP 60 Ca -0.09 1.35 0.05 0.00 0.52 0.00 0.00 54.79 56.61 1j0q n ASP 60 Cb 0.19 -0.28 0.24 0.00 -0.72 0.00 0.00 41.12 40.55 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 -5.10 0.00 -2.05 -0.67 8.25 -0.96 -4.83 115.22 109.86 1j0q n HIS 61 Ca 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.50 1j0q n HIS 61 Cb 0.29 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.43 0.29 3.54 -1.41 0.00 0.57 -4.95 105.19 102.80 1j0q n GLY 62 Ca 0.04 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.99 1.62 -1.53 1.61 8.25 -1.22 -4.89 115.22 115.09 1j0q n HIS 63 Ca -0.03 0.08 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 1j0q n HIS 63 Cb 0.52 -2.63 0.20 0.00 1.12 0.00 0.00 29.99 29.20 1j0q n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1j0q n SER 64 N 12.33 -0.65 -0.33 0.41 7.64 -1.26 -4.46 113.62 127.30 1j0q n SER 64 Ca 0.37 -1.31 0.15 0.00 1.01 0.00 0.00 58.87 59.09 1j0q n SER 64 Cb 0.39 -0.91 0.30 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.02 0.07 -0.15 0.44 1.35 -1.98 0.12 112.91 110.75 1j0q h THR 65 Ca -0.38 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 1j0q h THR 65 Cb 1.09 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 1j0q h THR 65 CO 0.26 0.01 -0.00 0.44 -0.25 0.00 0.00 175.52 175.98 1j0q h ASP 66 N 0.04 0.25 -0.70 5.36 5.19 -1.99 0.23 116.42 124.80 1j0q h ASP 66 Ca 0.60 -0.31 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1j0q h ASP 66 Cb 1.26 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 1j0q h ASP 66 CO -0.86 0.50 0.21 0.00 -3.12 0.00 0.00 179.24 175.96 1j0q h ALA 67 N 0.76 0.92 -0.04 3.45 0.00 -1.55 0.09 119.26 122.88 1j0q h ALA 67 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1j0q h ALA 67 Cb 0.37 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1j0q h ALA 67 CO 0.01 0.61 -0.38 0.00 0.00 0.00 0.00 179.25 179.49 1j0q h ARG 68 N 1.03 -0.49 -0.25 0.00 -0.00 -0.41 0.14 114.38 114.40 1j0q h ARG 68 Ca 0.22 0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.79 1j0q h ARG 68 Cb 0.32 0.11 -0.05 0.00 0.00 0.00 0.00 29.97 30.35 1j0q h ARG 68 CO -0.00 -0.33 -0.08 1.49 0.00 0.00 0.00 179.97 181.05 1j0q h GLU 69 N -0.51 -0.02 -0.75 0.04 4.57 -0.12 -0.01 114.58 117.79 1j0q h GLU 69 Ca 0.06 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.38 1j0q h GLU 69 Cb 0.61 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.11 1j0q h GLU 69 CO -0.32 -0.01 0.30 -0.07 -1.18 0.00 0.00 179.01 177.72 1j0q h LEU 70 N -0.02 0.28 -1.06 1.64 -0.00 -0.75 -0.16 115.31 115.23 1j0q h LEU 70 Ca 0.12 0.11 0.04 0.00 -0.00 0.00 0.00 57.88 58.15 1j0q h LEU 70 Cb 0.21 0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 40.90 1j0q h LEU 70 CO -0.27 0.11 0.63 0.77 -0.00 0.00 0.00 178.44 179.68 1j0q h SER 71 N 0.44 1.03 0.22 -0.43 4.64 0.12 -0.07 113.55 119.50 1j0q h SER 71 Ca 0.41 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.73 1j0q h SER 71 Cb 0.61 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1j0q h SER 71 CO -0.40 0.70 -0.26 0.11 -0.87 0.00 0.00 176.83 176.11 1j0q h LYS 72 N 1.19 -0.51 0.00 4.77 1.57 -0.14 -1.27 116.57 122.18 1j0q h LYS 72 Ca 0.39 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 1j0q h LYS 72 Cb 0.05 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1j0q h LYS 72 CO -0.13 -0.34 -0.12 0.00 -0.57 0.00 0.00 179.45 178.29 1j0q h THR 73 N -0.53 0.84 0.00 -0.16 1.03 -1.01 -0.53 112.91 112.55 1j0q h THR 73 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1j0q h THR 73 Cb 0.51 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1j0q h THR 73 CO -0.08 0.12 0.00 0.49 -0.01 0.00 0.00 175.52 176.04 1j0q n PHE 74 N -4.03 0.21 -1.66 0.00 3.72 -0.11 -4.79 117.46 110.80 1j0q n PHE 74 Ca -0.02 0.07 -0.44 0.00 -0.05 0.00 0.00 57.45 57.01 1j0q n PHE 74 Cb 0.21 -0.61 -0.04 0.00 -0.94 0.00 0.00 39.48 38.10 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 -1.68 0.70 0.18 4.37 5.41 -0.21 -2.46 119.36 125.68 1j0q n ILE 75 Ca 0.05 -0.14 0.03 0.00 1.00 0.00 0.00 62.75 63.69 1j0q n ILE 75 Cb 0.29 -2.21 -0.04 0.00 -0.71 0.00 0.00 39.64 36.97 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 5.55 0.00 0.00 1.39 -5.35 -0.56 -4.98 119.36 115.41 1j0q n ILE 76 Ca 0.21 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1j0q n ILE 76 Cb 0.38 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 1.53 -0.86 3.16 3.28 0.00 -1.23 -4.96 105.19 106.12 1j0q n GLY 77 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 0.81 -0.40 1.61 2.02 -1.26 -0.99 118.70 118.49 1j0q s GLU 78 Ca 0.00 -1.30 -0.26 0.00 0.02 0.00 0.00 54.97 53.43 1j0q s GLU 78 Cb 0.00 -0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.05 1j0q s GLU 78 CO 0.00 -0.02 0.95 -1.17 0.02 0.00 0.00 175.26 175.04 1j0q s LEU 79 N -2.95 3.96 0.10 1.80 1.98 -1.26 -0.63 118.68 121.69 1j0q s LEU 79 Ca 0.10 0.48 -0.31 0.00 -2.89 0.00 0.00 54.13 51.51 1j0q s LEU 79 Cb 0.04 -3.28 -0.10 0.00 0.66 0.00 0.00 46.19 43.51 1j0q s LEU 79 CO -0.05 -0.94 1.88 -2.28 -1.89 0.00 0.00 176.35 173.08 1j0q s HIS 80 N 3.64 1.86 0.21 5.38 5.65 0.28 -4.82 115.29 127.49 1j0q s HIS 80 Ca 0.39 -0.18 0.35 0.00 0.25 0.00 0.00 55.06 55.88 1j0q s HIS 80 Cb -0.11 -4.21 1.70 0.00 -1.18 0.00 0.00 32.58 28.78 1j0q s HIS 80 CO 0.22 -5.13 2.07 -1.35 -0.65 0.00 0.00 174.74 169.89 1j0q h PRO 81 N 9.24 0.00 -0.56 2.88 0.11 -1.92 -0.53 132.00 141.21 1j0q h PRO 81 Ca -0.47 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.80 1j0q h PRO 81 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1j0q h PRO 81 CO 0.95 0.00 0.41 0.22 -0.21 0.00 0.00 178.00 179.36 1j0q h ASP 82 N 0.00 0.00 -0.22 -2.05 3.58 -2.00 -0.89 116.42 114.84 1j0q h ASP 82 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1j0q h ASP 82 Cb 0.26 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 1j0q h ASP 82 CO 0.00 0.00 -0.17 -0.78 -2.88 0.00 0.00 179.24 175.41 1j0q h ASP 83 N 0.00 -0.60 -0.00 2.28 3.58 -1.44 -3.53 116.42 116.71 1j0q h ASP 83 Ca 0.27 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1j0q h ASP 83 Cb 1.08 0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1j0q h ASP 83 CO -0.00 -0.09 0.00 0.54 -2.88 0.00 0.00 179.24 176.81