#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 -0.00 0.00 0.31 -1.26 -5.06 118.33 112.31 1j0q n VAL 4 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1j0q n VAL 4 Cb 0.00 -1.37 -0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1j0q n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1j0q n LYS 5 N 0.00 0.02 -0.96 5.55 4.81 -1.26 -5.16 118.16 121.16 1j0q n LYS 5 Ca 0.00 0.01 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 1j0q n LYS 5 Cb 0.00 -0.73 -0.04 0.00 0.02 0.00 0.00 35.03 34.28 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 -2.84 -2.60 -3.71 5.64 4.01 -1.26 -5.03 117.16 111.37 1j0q n TYR 6 Ca -0.02 1.43 -0.14 0.00 -0.16 0.00 0.00 57.90 59.01 1j0q n TYR 6 Cb 0.52 -2.36 -0.14 0.00 -0.31 0.00 0.00 39.34 37.04 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 -4.26 -0.26 0.44 -0.72 1.51 0.42 -4.83 117.35 109.66 1j0q s TYR 7 Ca 0.00 0.68 -0.13 0.00 -1.01 0.00 0.00 57.07 56.60 1j0q s TYR 7 Cb 0.00 -0.08 -0.07 0.00 -0.11 0.00 0.00 41.96 41.70 1j0q s TYR 7 CO 0.00 -0.24 0.86 0.95 -1.11 0.00 0.00 175.55 176.01 1j0q s THR 8 N 1.64 4.67 0.34 -0.71 -4.23 -1.26 0.02 115.64 116.11 1j0q s THR 8 Ca -0.05 0.90 0.07 0.00 -1.18 0.00 0.00 61.69 61.44 1j0q s THR 8 Cb -0.11 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 70.32 1j0q s THR 8 CO -0.07 -0.56 1.86 0.25 -0.54 0.00 0.00 174.62 175.56 1j0q h LEU 9 N 1.20 0.71 -0.86 4.79 7.12 -1.94 0.12 115.31 126.46 1j0q h LEU 9 Ca -0.47 0.04 0.08 0.00 0.13 0.00 0.00 57.88 57.66 1j0q h LEU 9 Cb 1.19 -0.10 -0.11 0.00 -0.53 0.00 0.00 40.66 41.11 1j0q h LEU 9 CO 0.63 0.36 -0.54 -0.08 -0.13 0.00 0.00 178.44 178.68 1j0q h GLU 10 N 0.75 -0.04 -0.14 1.25 4.57 -2.00 0.19 114.58 119.17 1j0q h GLU 10 Ca 0.46 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.64 1j0q h GLU 10 Cb 0.67 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1j0q h GLU 10 CO -0.22 -0.02 0.07 0.93 -1.18 0.00 0.00 179.01 178.59 1j0q h GLU 11 N -0.04 0.20 -0.59 1.92 4.39 -1.45 -2.91 114.58 116.10 1j0q h GLU 11 Ca 0.14 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1j0q h GLU 11 Cb 0.39 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1j0q h GLU 11 CO -0.83 0.24 0.30 0.82 -1.16 0.00 0.00 179.01 178.38 1j0q h ILE 12 N 0.11 1.21 -0.16 3.13 2.04 0.25 0.16 117.51 124.25 1j0q h ILE 12 Ca 0.05 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1j0q h ILE 12 Cb 0.10 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1j0q h ILE 12 CO -0.01 0.23 0.10 1.56 0.00 0.00 0.00 178.15 180.04 1j0q h GLN 13 N 0.81 0.20 -0.67 2.37 4.20 -0.71 -2.44 115.11 118.87 1j0q h GLN 13 Ca 0.21 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.05 1j0q h GLN 13 Cb 0.10 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.72 1j0q h GLN 13 CO -0.03 0.13 0.05 -0.22 -0.67 0.00 0.00 178.83 178.10 1j0q h LYS 14 N 0.21 0.16 -4.38 1.46 1.63 -1.11 -3.14 116.57 111.39 1j0q h LYS 14 Ca 0.06 -0.01 -0.65 0.00 -0.85 0.00 0.00 60.65 59.20 1j0q h LYS 14 Cb -0.02 -0.04 0.04 0.00 -0.60 0.00 0.00 32.23 31.61 1j0q h LYS 14 CO -0.02 0.10 2.42 0.72 -3.45 0.00 0.00 179.45 179.22 1j0q n HIS 15 N -5.25 2.04 -2.56 1.91 8.25 -0.04 -3.97 115.22 115.61 1j0q n HIS 15 Ca 0.11 -1.95 -0.01 0.00 -0.26 0.00 0.00 57.72 55.61 1j0q n HIS 15 Cb 0.40 -1.81 0.04 0.00 1.12 0.00 0.00 29.99 29.75 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 7.18 0.09 -0.62 0.41 0.23 -1.19 -0.58 115.26 120.78 1j0q n ASN 16 Ca 0.50 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 1j0q n ASN 16 Cb 0.39 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 1j0q n ASN 16 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1j0q n ASN 17 N -0.52 0.00 -0.43 0.53 0.23 -1.25 -4.95 115.26 108.87 1j0q n ASN 17 Ca -0.07 -0.62 0.36 0.00 -0.53 0.00 0.00 54.58 53.72 1j0q n ASN 17 Cb 0.88 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 39.25 1j0q n ASN 17 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1j0q h SER 18 N 0.00 0.20 -0.72 0.53 0.02 -1.99 0.31 113.55 111.90 1j0q h SER 18 Ca 0.00 0.07 0.26 0.00 -0.84 0.00 0.00 61.79 61.28 1j0q h SER 18 Cb 0.00 0.05 -0.13 0.00 0.14 0.00 0.00 62.40 62.46 1j0q h SER 18 CO 0.00 -0.05 0.23 1.17 -1.14 0.00 0.00 176.83 177.04 1j0q n LYS 19 N -4.44 -0.05 0.00 3.45 3.00 -1.26 -4.83 118.16 114.03 1j0q n LYS 19 Ca 0.33 1.04 0.00 0.00 -0.00 0.00 0.00 58.31 59.67 1j0q n LYS 19 Cb 1.34 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 34.61 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1j0q n SER 20 N -4.79 0.00 -4.56 3.14 2.88 0.11 -4.97 113.62 105.43 1j0q n SER 20 Ca 0.23 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.35 1j0q n SER 20 Cb 0.77 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.20 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j0q s THR 21 N -0.97 3.86 0.15 2.46 2.01 -1.25 -3.80 115.64 118.10 1j0q s THR 21 Ca 0.00 0.57 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 1j0q s THR 21 Cb 0.00 -4.83 -0.04 0.00 0.01 0.00 0.00 72.50 67.63 1j0q s THR 21 CO 0.00 -1.64 0.33 0.26 -0.69 0.00 0.00 174.62 172.88 1j0q s TRP 22 N 5.36 3.49 0.17 4.92 0.52 0.25 -1.29 118.94 132.36 1j0q s TRP 22 Ca 0.38 0.32 -0.10 0.00 0.02 0.00 0.00 56.10 56.72 1j0q s TRP 22 Cb -0.08 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 1j0q s TRP 22 CO 0.19 0.46 0.30 -0.51 0.02 0.00 0.00 176.95 177.42 1j0q s LEU 23 N -2.99 0.90 -0.21 2.99 1.02 -0.31 0.04 118.68 120.12 1j0q s LEU 23 Ca 0.37 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.69 1j0q s LEU 23 Cb -0.12 1.26 0.03 0.00 0.02 0.00 0.00 46.19 47.38 1j0q s LEU 23 CO 0.28 -0.91 -0.14 -0.63 0.02 0.00 0.00 176.35 174.97 1j0q s ILE 24 N -3.96 2.32 -0.46 -0.59 1.01 -0.73 -0.62 121.20 118.18 1j0q s ILE 24 Ca 0.17 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1j0q s ILE 24 Cb 0.03 -2.11 0.13 0.00 0.01 0.00 0.00 42.46 40.52 1j0q s ILE 24 CO -0.00 0.34 0.22 -0.76 0.00 0.00 0.00 174.94 174.74 1j0q s LEU 25 N 1.27 3.65 -0.23 2.97 1.02 -0.82 -0.71 118.68 125.84 1j0q s LEU 25 Ca 0.01 -2.71 -0.01 0.00 0.02 0.00 0.00 54.13 51.44 1j0q s LEU 25 Cb -0.15 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.68 1j0q s LEU 25 CO -0.09 -0.27 0.19 1.41 0.02 0.00 0.00 176.35 177.61 1j0q n HIS 26 N 3.47 -0.44 0.00 0.29 8.25 -1.26 -3.93 115.22 121.60 1j0q n HIS 26 Ca 0.06 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1j0q n HIS 26 Cb 0.34 -2.30 0.00 0.00 1.12 0.00 0.00 29.99 29.15 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 -2.01 0.00 -1.55 4.41 4.01 -1.26 -4.94 117.16 115.83 1j0q n TYR 27 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 1j0q n TYR 27 Cb 0.52 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.58 1j0q n TYR 27 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1j0q n LYS 28 N 0.00 0.90 -4.80 -0.72 4.01 -1.25 -0.16 118.16 116.14 1j0q n LYS 28 Ca 0.00 0.33 -0.33 0.00 -0.51 0.00 0.00 58.31 57.80 1j0q n LYS 28 Cb 0.00 -1.90 -0.13 0.00 -0.51 0.00 0.00 35.03 32.49 1j0q n LYS 28 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1j0q s VAL 29 N -1.48 3.19 -0.21 -0.18 1.01 -0.19 -1.94 120.40 120.60 1j0q s VAL 29 Ca 0.68 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1j0q s VAL 29 Cb -0.50 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 33.65 1j0q s VAL 29 CO 0.54 0.57 0.01 -0.31 0.00 0.00 0.00 175.10 175.91 1j0q s TYR 30 N -0.43 1.46 -0.22 5.22 1.51 0.21 -2.17 117.35 122.94 1j0q s TYR 30 Ca 0.05 -1.16 -0.15 0.00 -1.01 0.00 0.00 57.07 54.80 1j0q s TYR 30 Cb -0.12 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1j0q s TYR 30 CO 0.02 -0.67 0.35 0.34 -1.11 0.00 0.00 175.55 174.48 1j0q s ASP 31 N 1.71 6.35 -0.33 2.29 -1.08 -0.85 -1.16 116.67 123.60 1j0q s ASP 31 Ca -0.02 0.41 0.15 0.00 -0.52 0.00 0.00 52.55 52.57 1j0q s ASP 31 Cb -0.18 -2.21 0.43 0.00 -1.46 0.00 0.00 42.92 39.51 1j0q s ASP 31 CO -0.08 -0.06 1.41 0.00 0.52 0.00 0.00 175.17 176.95 1j0q n LEU 32 N 4.55 -0.77 -0.28 -1.34 -0.00 -0.41 -4.70 117.00 114.04 1j0q n LEU 32 Ca -0.10 -3.23 0.04 0.00 -0.00 0.00 0.00 56.01 52.72 1j0q n LEU 32 Cb 0.51 0.18 0.12 0.00 -0.00 0.00 0.00 43.42 44.23 1j0q n LEU 32 CO 0.39 1.59 0.73 0.74 -0.00 0.00 0.00 177.39 180.84 1j0q h THR 33 N 4.04 0.21 0.00 1.47 2.02 -1.94 0.54 112.91 119.26 1j0q h THR 33 Ca -0.35 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1j0q h THR 33 Cb 1.29 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1j0q h THR 33 CO -0.07 0.00 -0.08 0.07 0.37 0.00 0.00 175.52 175.81 1j0q h LYS 34 N 0.02 0.00 0.00 6.66 2.10 -1.95 -2.38 116.57 121.01 1j0q h LYS 34 Ca 0.40 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.87 1j0q h LYS 34 Cb 0.65 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.95 1j0q h LYS 34 CO -0.80 0.08 -1.16 0.35 -2.00 0.00 0.00 179.45 175.92 1j0q h PHE 35 N 0.00 0.00 -0.92 0.07 3.57 -1.30 -3.36 116.94 115.00 1j0q h PHE 35 Ca -0.00 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.75 1j0q h PHE 35 Cb 0.33 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.90 1j0q h PHE 35 CO 0.00 0.71 0.12 -0.07 -2.23 0.00 0.00 178.31 176.84 1j0q h LEU 36 N 0.00 -0.27 -0.59 0.59 3.38 -0.89 0.22 115.31 117.75 1j0q h LEU 36 Ca -0.12 0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1j0q h LEU 36 Cb 1.65 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1j0q h LEU 36 CO 0.07 -0.28 -0.30 -0.08 0.09 0.00 0.00 178.44 177.94 1j0q h GLU 37 N 0.08 0.80 -0.11 1.13 4.81 -1.73 -3.10 114.58 116.46 1j0q h GLU 37 Ca 0.57 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1j0q h GLU 37 Cb 1.18 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1j0q h GLU 37 CO -0.80 1.00 -0.10 1.49 -0.73 0.00 0.00 179.01 179.86 1j0q h GLU 38 N 0.68 0.27 -6.07 1.92 4.22 -0.90 -3.47 114.58 111.22 1j0q h GLU 38 Ca 0.08 -0.14 -0.81 0.00 0.08 0.00 0.00 59.36 58.57 1j0q h GLU 38 Cb 0.84 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.11 1j0q h GLU 38 CO 0.07 0.67 0.80 1.58 -2.18 0.00 0.00 179.01 179.95 1j0q n HIS 39 N -4.63 1.91 -0.35 0.92 -0.00 0.39 -4.88 115.22 108.58 1j0q n HIS 39 Ca -0.07 0.84 0.09 0.00 0.46 0.00 0.00 57.72 59.04 1j0q n HIS 39 Cb 0.33 -2.35 0.27 0.00 -0.12 0.00 0.00 29.99 28.12 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 6.14 0.81 0.00 1.57 0.11 -1.91 0.23 132.00 138.95 1j0q h PRO 40 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1j0q h PRO 40 Cb 1.34 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j0q h PRO 40 CO 0.97 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.71 1j0q n GLY 41 N -1.33 -1.00 0.09 -0.55 0.00 -1.26 -5.01 105.19 96.13 1j0q n GLY 41 Ca 0.20 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.57 -2.14 0.07 -0.02 0.00 0.81 -4.37 105.19 98.97 1j0q n GLY 42 Ca 0.01 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.08 -0.08 -0.91 1.61 4.81 -1.80 -3.33 114.58 114.80 1j0q h GLU 43 Ca -0.01 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1j0q h GLU 43 Cb 0.08 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.33 1j0q h GLU 43 CO 0.00 0.02 -0.35 0.39 -0.73 0.00 0.00 179.01 178.34 1j0q n GLU 44 N -5.09 -0.21 -0.16 1.92 1.02 -1.26 -0.10 120.64 116.75 1j0q n GLU 44 Ca -0.08 1.39 -0.08 0.00 -0.02 0.00 0.00 57.16 58.38 1j0q n GLU 44 Cb 0.09 -2.07 0.01 0.00 -0.02 0.00 0.00 31.44 29.45 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1j0q h VAL 45 N 0.00 1.18 -0.26 2.62 -1.51 -1.76 0.64 116.25 117.16 1j0q h VAL 45 Ca 0.31 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1j0q h VAL 45 Cb 0.54 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1j0q h VAL 45 CO -0.90 0.20 0.17 -0.07 -1.23 0.00 0.00 177.57 175.74 1j0q h LEU 46 N 0.63 0.29 -0.30 4.19 4.07 -0.72 -3.17 115.31 120.31 1j0q h LEU 46 Ca 0.17 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 58.00 1j0q h LEU 46 Cb 0.09 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 1j0q h LEU 46 CO -0.02 0.21 -0.28 -0.09 -1.08 0.00 0.00 178.44 177.18 1j0q h ARG 47 N 0.35 0.72 -0.74 1.13 9.65 0.26 0.45 114.38 126.20 1j0q h ARG 47 Ca 0.09 -0.38 0.16 0.00 -1.10 0.00 0.00 59.98 58.76 1j0q h ARG 47 Cb -0.04 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 28.42 1j0q h ARG 47 CO -0.02 0.99 -0.04 1.49 2.80 0.00 0.00 179.97 185.19 1j0q h GLU 48 N 0.47 0.07 0.05 0.20 4.57 -0.97 -2.32 114.58 116.65 1j0q h GLU 48 Ca 0.05 -0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.98 1j0q h GLU 48 Cb 0.85 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 1j0q h GLU 48 CO 0.07 0.05 -1.21 1.96 -1.18 0.00 0.00 179.01 178.70 1j0q h GLN 49 N 0.07 0.10 -6.73 1.92 1.08 -1.32 -3.48 115.11 106.76 1j0q h GLN 49 Ca 0.39 -0.18 -0.57 0.00 -1.45 0.00 0.00 58.65 56.85 1j0q h GLN 49 Cb 0.67 0.07 0.12 0.00 -0.05 0.00 0.00 27.48 28.29 1j0q h GLN 49 CO -0.68 1.02 0.41 0.00 -0.95 0.00 0.00 178.83 178.63 1j0q n ALA 50 N -2.46 0.97 -3.34 3.87 0.00 0.15 -1.16 120.51 118.55 1j0q n ALA 50 Ca -0.06 0.31 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 1j0q n ALA 50 Cb 0.99 -2.21 0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 0.89 -0.29 3.63 0.00 0.00 0.11 -4.76 105.19 104.76 1j0q n GLY 51 Ca 0.06 0.07 -0.01 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 -3.73 -0.36 0.08 -0.02 0.00 -0.31 -4.19 107.32 98.80 1j0q s GLY 52 Ca 0.25 0.83 -0.30 0.00 0.00 0.00 0.00 44.72 45.50 1j0q s GLY 52 CO 0.63 0.21 1.12 0.51 0.00 0.00 0.00 173.10 175.57 1j0q s ASP 53 N -2.76 7.20 -0.16 1.64 -4.77 -1.26 -1.77 116.67 114.79 1j0q s ASP 53 Ca 0.12 1.96 0.14 0.00 -3.30 0.00 0.00 52.55 51.48 1j0q s ASP 53 Cb 0.02 -2.58 0.41 0.00 -1.09 0.00 0.00 42.92 39.68 1j0q s ASP 53 CO -0.03 -0.34 1.21 0.00 0.70 0.00 0.00 175.17 176.70 1j0q n ALA 54 N 3.43 3.33 0.45 2.11 0.00 0.12 -4.84 120.51 125.11 1j0q n ALA 54 Ca 0.06 -3.06 -0.18 0.00 0.00 0.00 0.00 53.44 50.27 1j0q n ALA 54 Cb 0.47 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 2.31 0.00 0.25 0.00 2.02 -1.83 0.86 112.91 116.53 1j0q h THR 55 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1j0q h THR 55 Cb 1.20 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1j0q h THR 55 CO 0.02 0.00 -0.22 -0.33 0.37 0.00 0.00 175.52 175.36 1j0q h GLU 56 N -1.15 -0.48 -0.59 6.66 5.08 -1.91 -1.64 114.58 120.54 1j0q h GLU 56 Ca -0.12 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1j0q h GLU 56 Cb 0.88 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.13 1j0q h GLU 56 CO 0.19 -0.32 -0.21 -0.97 -1.00 0.00 0.00 179.01 176.70 1j0q h ASN 57 N -0.50 -0.76 0.58 1.42 -0.73 -1.91 0.18 115.58 113.86 1j0q h ASN 57 Ca -0.01 0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 1j0q h ASN 57 Cb 0.45 0.44 -0.00 0.00 0.27 0.00 0.00 38.32 39.48 1j0q h ASN 57 CO -0.03 -0.24 -0.33 0.15 -0.37 0.00 0.00 177.43 176.60 1j0q h PHE 58 N -0.07 -0.87 -0.17 0.67 3.57 -0.56 -2.49 116.94 117.03 1j0q h PHE 58 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1j0q h PHE 58 Cb 0.49 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1j0q h PHE 58 CO -0.54 -0.51 0.03 0.93 -2.23 0.00 0.00 178.31 175.98 1j0q h GLU 59 N -0.86 0.28 -0.99 1.11 4.39 -0.65 -2.88 114.58 114.99 1j0q h GLU 59 Ca -0.07 -0.08 0.15 0.00 0.34 0.00 0.00 59.36 59.70 1j0q h GLU 59 Cb 0.68 -0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.14 1j0q h GLU 59 CO 0.09 0.45 -0.39 -3.47 -1.16 0.00 0.00 179.01 174.54 1j0q n ASP 60 N -4.78 -0.64 0.00 1.42 2.03 0.55 -0.26 116.55 114.87 1j0q n ASP 60 Ca -0.05 1.73 0.04 0.00 0.52 0.00 0.00 54.79 57.03 1j0q n ASP 60 Cb 0.18 -0.40 0.23 0.00 -0.72 0.00 0.00 41.12 40.42 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 -5.46 0.00 -2.81 -0.67 8.25 -0.94 -4.85 115.22 108.75 1j0q n HIS 61 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.42 1j0q n HIS 61 Cb 0.40 -0.26 0.03 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.52 -0.03 3.63 -1.41 0.00 0.64 -4.92 105.19 102.57 1j0q n GLY 62 Ca 0.04 -0.21 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.01 1.81 -1.35 1.61 8.25 -1.24 -4.89 115.22 115.40 1j0q n HIS 63 Ca -0.05 0.51 -0.35 0.00 -0.26 0.00 0.00 57.72 57.56 1j0q n HIS 63 Cb 0.57 -2.40 0.09 0.00 1.12 0.00 0.00 29.99 29.37 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 2.46 0.80 -0.29 0.41 7.64 -1.26 -4.66 113.62 118.73 1j0q n SER 64 Ca 0.15 0.67 0.26 0.00 1.01 0.00 0.00 58.87 60.96 1j0q n SER 64 Cb 0.26 -1.45 0.48 0.00 -1.01 0.00 0.00 64.21 62.50 1j0q n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1j0q n THR 65 N -2.62 -0.37 -0.02 0.44 -2.24 -1.26 -0.97 114.28 107.24 1j0q n THR 65 Ca 0.13 1.81 -0.13 0.00 -2.27 0.00 0.00 64.05 63.60 1j0q n THR 65 Cb 0.49 -2.90 -0.08 0.00 -2.10 0.00 0.00 70.33 65.74 1j0q n THR 65 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1j0q h ASP 66 N 0.00 0.09 -0.29 3.42 5.19 -1.98 0.53 116.42 123.37 1j0q h ASP 66 Ca 0.72 -0.37 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 1j0q h ASP 66 Cb 1.86 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.33 1j0q h ASP 66 CO -0.70 0.44 0.16 0.00 -3.12 0.00 0.00 179.24 176.02 1j0q h ALA 67 N 0.65 0.38 -0.58 3.45 0.00 -1.56 0.50 119.26 122.10 1j0q h ALA 67 Ca 0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1j0q h ALA 67 Cb 0.40 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1j0q h ALA 67 CO 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 179.25 179.25 1j0q h ARG 68 N 0.36 0.21 0.16 0.00 3.08 -0.85 0.11 114.38 117.46 1j0q h ARG 68 Ca 0.10 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1j0q h ARG 68 Cb 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1j0q h ARG 68 CO -0.02 0.14 -0.08 1.49 -1.07 0.00 0.00 179.97 180.43 1j0q h GLU 69 N 0.22 -0.22 -0.96 0.04 4.57 0.54 -1.21 114.58 117.56 1j0q h GLU 69 Ca 0.31 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.71 1j0q h GLU 69 Cb 0.46 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.98 1j0q h GLU 69 CO -0.42 -0.14 0.54 1.25 -1.18 0.00 0.00 179.01 179.06 1j0q h LEU 70 N -0.22 0.64 -0.73 1.64 7.12 -0.35 0.11 115.31 123.52 1j0q h LEU 70 Ca -0.02 0.12 0.06 0.00 0.13 0.00 0.00 57.88 58.17 1j0q h LEU 70 Cb 0.18 0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.27 1j0q h LEU 70 CO 0.03 0.16 0.42 -1.28 -0.13 0.00 0.00 178.44 177.65 1j0q h SER 71 N 0.62 0.65 -0.09 1.25 0.87 0.39 0.16 113.55 117.39 1j0q h SER 71 Ca 0.58 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 61.21 1j0q h SER 71 Cb 1.01 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.81 1j0q h SER 71 CO -0.44 0.42 -0.18 0.11 -0.53 0.00 0.00 176.83 176.21 1j0q h LYS 72 N 0.78 -0.24 -0.94 2.24 1.57 -0.16 -1.94 116.57 117.88 1j0q h LYS 72 Ca 0.32 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.27 1j0q h LYS 72 Cb 0.17 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 1j0q h LYS 72 CO -0.17 -0.16 0.60 1.15 -0.57 0.00 0.00 179.45 180.29 1j0q h THR 73 N -0.25 0.82 -0.00 -0.16 2.02 -0.47 -0.34 112.91 114.53 1j0q h THR 73 Ca 0.09 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1j0q h THR 73 Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1j0q h THR 73 CO -0.24 0.14 -0.02 0.49 0.37 0.00 0.00 175.52 176.26 1j0q n PHE 74 N -4.60 0.00 -1.64 3.16 3.72 0.39 -4.89 117.46 113.60 1j0q n PHE 74 Ca 0.19 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.12 1j0q n PHE 74 Cb 0.47 -0.37 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.36 0.69 -0.07 4.37 2.08 -0.14 -2.01 119.36 122.92 1j0q n ILE 75 Ca 0.11 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1j0q n ILE 75 Cb 0.29 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1j0q n ILE 76 N 2.11 0.00 -0.49 1.39 -5.35 -0.92 -4.93 119.36 111.17 1j0q n ILE 76 Ca 0.14 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 1j0q n ILE 76 Cb 0.28 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 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 0.05 -1.87 3.11 3.28 0.00 -1.25 -4.92 105.19 103.59 1j0q n GLY 77 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.85 0.63 0.08 1.61 2.02 -1.26 -1.02 118.70 118.90 1j0q s GLU 78 Ca 0.00 -0.97 -0.32 0.00 0.02 0.00 0.00 54.97 53.70 1j0q s GLU 78 Cb 0.00 0.24 -0.11 0.00 0.10 0.00 0.00 34.13 34.35 1j0q s GLU 78 CO 0.00 -0.15 1.81 -0.11 0.02 0.00 0.00 175.26 176.84 1j0q n LEU 79 N 0.41 3.78 -4.68 1.80 7.94 0.78 -0.44 117.00 126.59 1j0q n LEU 79 Ca -0.17 0.99 -0.42 0.00 -1.11 0.00 0.00 56.01 55.31 1j0q n LEU 79 Cb 0.60 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 1j0q n LEU 79 CO 0.25 0.05 1.50 -2.28 -1.11 0.00 0.00 177.39 175.80 1j0q s HIS 80 N 2.82 1.90 -0.79 1.96 5.65 0.10 -4.82 115.29 122.11 1j0q s HIS 80 Ca 0.84 -0.13 0.20 0.00 0.25 0.00 0.00 55.06 56.23 1j0q s HIS 80 Cb -0.55 -4.18 0.83 0.00 -1.18 0.00 0.00 32.58 27.50 1j0q s HIS 80 CO 0.41 -4.98 1.62 -2.30 -0.65 0.00 0.00 174.74 168.84 1j0q n PRO 81 N 6.28 0.09 0.09 2.88 -0.02 -1.26 -0.73 135.00 142.33 1j0q n PRO 81 Ca 0.18 0.29 0.19 0.00 -2.02 0.00 0.00 63.50 62.14 1j0q n PRO 81 Cb 0.39 -1.66 0.74 0.00 -0.02 0.00 0.00 33.50 32.96 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 0.00 0.84 2.55 3.58 -2.01 -1.58 116.42 119.81 1j0q h ASP 82 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1j0q h ASP 82 Cb 0.35 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.41 1j0q h ASP 82 CO 0.00 0.00 -0.41 -0.78 -2.88 0.00 0.00 179.24 175.17 1j0q h ASP 83 N 0.00 -0.97 0.00 2.28 1.82 -1.29 -3.54 116.42 114.73 1j0q h ASP 83 Ca 0.18 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1j0q h ASP 83 Cb 0.86 0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1j0q h ASP 83 CO -0.00 -0.69 0.00 -2.11 -1.61 0.00 0.00 179.24 174.83