#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 -0.09 0.00 0.24 -1.26 -5.02 118.33 112.20 1j0q n VAL 4 Ca 0.00 -0.18 -0.18 0.00 -2.04 0.00 0.00 64.34 61.94 1j0q n VAL 4 Cb 0.00 -1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 31.23 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 -5.46 0.39 -1.25 7.34 5.02 -1.26 -5.11 118.16 117.83 1j0q n LYS 5 Ca 0.14 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1j0q n LYS 5 Cb 0.60 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 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 -3.91 -1.59 -4.18 2.13 4.01 -1.26 -4.97 117.16 107.39 1j0q n TYR 6 Ca -0.32 0.85 -0.19 0.00 -0.16 0.00 0.00 57.90 58.09 1j0q n TYR 6 Cb 0.68 -1.57 -0.16 0.00 -0.31 0.00 0.00 39.34 37.98 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 -3.22 0.66 0.27 -0.72 2.02 0.11 -4.77 117.35 111.69 1j0q s TYR 7 Ca 0.00 -0.15 -0.19 0.00 -0.37 0.00 0.00 57.07 56.35 1j0q s TYR 7 Cb 0.00 -0.54 -0.09 0.00 -0.40 0.00 0.00 41.96 40.93 1j0q s TYR 7 CO 0.00 -0.12 0.76 0.95 -1.57 0.00 0.00 175.55 175.57 1j0q s THR 8 N 0.54 4.55 0.40 -0.71 -4.23 -1.26 -0.83 115.64 114.10 1j0q s THR 8 Ca -0.07 1.27 0.16 0.00 -1.18 0.00 0.00 61.69 61.87 1j0q s THR 8 Cb -0.10 -3.80 0.37 0.00 1.34 0.00 0.00 72.50 70.31 1j0q s THR 8 CO -0.00 0.07 1.85 0.25 -0.54 0.00 0.00 174.62 176.25 1j0q h LEU 9 N 3.01 0.46 -0.73 4.79 6.46 -1.94 0.14 115.31 127.50 1j0q h LEU 9 Ca -0.48 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.40 1j0q h LEU 9 Cb 1.19 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.98 1j0q h LEU 9 CO 0.65 0.19 -0.54 -0.08 -0.62 0.00 0.00 178.44 178.04 1j0q h GLU 10 N 0.46 -0.13 0.05 1.25 4.57 -2.00 0.17 114.58 118.94 1j0q h GLU 10 Ca 0.47 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.66 1j0q h GLU 10 Cb 1.09 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1j0q h GLU 10 CO -0.19 -0.09 -0.02 0.93 -1.18 0.00 0.00 179.01 178.45 1j0q h GLU 11 N -0.14 -0.06 -0.73 1.92 4.39 -1.22 -2.86 114.58 115.88 1j0q h GLU 11 Ca 0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1j0q h GLU 11 Cb 0.45 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1j0q h GLU 11 CO -0.76 0.04 0.36 0.82 -1.16 0.00 0.00 179.01 178.31 1j0q h ILE 12 N -0.15 1.23 0.04 3.13 2.04 -0.02 0.02 117.51 123.80 1j0q h ILE 12 Ca -0.01 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1j0q h ILE 12 Cb 0.13 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1j0q h ILE 12 CO 0.01 0.27 -0.02 1.56 0.00 0.00 0.00 178.15 179.98 1j0q h GLN 13 N 1.01 -0.05 -0.68 2.37 1.08 -0.76 -2.62 115.11 115.47 1j0q h GLN 13 Ca 0.25 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.60 1j0q h GLN 13 Cb 0.10 0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.42 1j0q h GLN 13 CO -0.03 -0.00 -0.07 -0.22 -0.95 0.00 0.00 178.83 177.55 1j0q h LYS 14 N -0.08 0.06 -5.06 1.46 1.63 -1.06 -3.12 116.57 110.40 1j0q h LYS 14 Ca -0.01 -0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.19 1j0q h LYS 14 Cb 0.07 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 1j0q h LYS 14 CO 0.01 0.04 2.21 0.72 -3.45 0.00 0.00 179.45 178.97 1j0q n HIS 15 N -5.38 3.45 -2.56 1.91 8.25 -0.10 -4.12 115.22 116.67 1j0q n HIS 15 Ca 0.10 -2.38 -0.01 0.00 -0.26 0.00 0.00 57.72 55.17 1j0q n HIS 15 Cb 0.39 -2.45 0.05 0.00 1.12 0.00 0.00 29.99 29.10 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 9.00 0.02 0.00 0.41 0.23 -0.92 -0.41 115.26 123.59 1j0q n ASN 16 Ca 0.49 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 1j0q n ASN 16 Cb 0.43 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.58 0.92 -3.28 0.53 5.15 -0.92 -4.94 115.26 112.14 1j0q n ASN 17 Ca -0.08 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.53 1j0q n ASN 17 Cb 0.87 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.09 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1j0q n SER 18 N 0.00 8.15 0.20 1.20 7.64 -1.26 -2.66 113.62 126.89 1j0q n SER 18 Ca 0.00 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1j0q n SER 18 Cb 0.00 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 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 2.53 0.00 0.00 1.43 4.76 -1.26 -5.15 118.16 120.47 1j0q n LYS 19 Ca 0.68 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 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 -3.37 0.00 -3.73 4.39 7.64 -1.09 -5.10 113.62 112.37 1j0q n SER 20 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1j0q n SER 20 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.39 0.17 0.44 2.01 -1.26 -2.15 115.64 113.24 1j0q s THR 21 Ca 0.00 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1j0q s THR 21 Cb 0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1j0q s THR 21 CO 0.00 -0.05 0.01 0.26 -0.69 0.00 0.00 174.62 174.15 1j0q s TRP 22 N 1.94 2.86 0.12 4.92 0.52 0.45 -1.09 118.94 128.65 1j0q s TRP 22 Ca 0.02 -0.13 -0.08 0.00 0.02 0.00 0.00 56.10 55.93 1j0q s TRP 22 Cb -0.15 -1.39 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1j0q s TRP 22 CO -0.07 0.52 0.20 -0.48 0.02 0.00 0.00 176.95 177.14 1j0q s LEU 23 N -2.94 1.33 -0.22 2.99 0.05 0.14 -0.00 118.68 120.03 1j0q s LEU 23 Ca 0.28 -0.78 -0.12 0.00 0.05 0.00 0.00 54.13 53.55 1j0q s LEU 23 Cb -0.09 1.00 -0.05 0.00 -2.05 0.00 0.00 46.19 45.00 1j0q s LEU 23 CO 0.19 -0.78 0.21 -0.63 -0.55 0.00 0.00 176.35 174.78 1j0q s ILE 24 N -3.91 5.33 -0.41 1.48 -1.09 -0.84 -0.72 121.20 121.05 1j0q s ILE 24 Ca 0.11 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1j0q s ILE 24 Cb 0.05 -3.55 0.13 0.00 -1.58 0.00 0.00 42.46 37.50 1j0q s ILE 24 CO -0.06 0.34 0.20 -0.76 -1.23 0.00 0.00 174.94 173.43 1j0q s LEU 25 N 0.97 2.74 -0.53 2.97 1.02 -0.93 -0.75 118.68 124.17 1j0q s LEU 25 Ca 0.10 -2.38 -0.02 0.00 0.02 0.00 0.00 54.13 51.85 1j0q s LEU 25 Cb -0.13 -1.04 -0.03 0.00 0.02 0.00 0.00 46.19 45.01 1j0q s LEU 25 CO 0.04 -0.31 0.46 1.41 0.02 0.00 0.00 176.35 177.97 1j0q n HIS 26 N 3.87 -1.17 0.00 0.29 8.25 -1.26 -3.70 115.22 121.51 1j0q n HIS 26 Ca 0.06 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1j0q n HIS 26 Cb 0.36 -3.34 0.00 0.00 1.12 0.00 0.00 29.99 28.13 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 -2.38 0.00 -1.33 4.41 4.02 -1.26 -4.94 117.16 115.67 1j0q n TYR 27 Ca -0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.50 1j0q n TYR 27 Cb 0.56 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.98 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 0.00 2.11 -0.11 -0.72 3.01 -1.24 -0.21 119.74 122.57 1j0q s LYS 28 Ca 0.00 1.50 0.00 0.00 -1.01 0.00 0.00 55.97 56.47 1j0q s LYS 28 Cb 0.00 -1.86 -0.02 0.00 -1.01 0.00 0.00 37.83 34.94 1j0q s LYS 28 CO 0.00 -1.81 -0.10 0.08 0.51 0.00 0.00 175.35 174.03 1j0q s VAL 29 N -2.39 3.33 -0.15 3.17 1.01 -0.04 -2.20 120.40 123.13 1j0q s VAL 29 Ca 0.68 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1j0q s VAL 29 Cb -0.23 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1j0q s VAL 29 CO 0.49 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.78 1j0q s TYR 30 N -0.09 1.53 -0.18 5.22 1.51 0.10 -1.63 117.35 123.83 1j0q s TYR 30 Ca -0.01 -0.92 -0.15 0.00 -1.01 0.00 0.00 57.07 54.98 1j0q s TYR 30 Cb -0.14 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1j0q s TYR 30 CO 0.03 -0.57 0.37 0.34 -1.11 0.00 0.00 175.55 174.61 1j0q s ASP 31 N 1.69 6.46 -0.08 2.29 -1.08 -0.47 -0.68 116.67 124.80 1j0q s ASP 31 Ca 0.02 0.54 0.11 0.00 -0.52 0.00 0.00 52.55 52.71 1j0q s ASP 31 Cb -0.15 -2.22 0.18 0.00 -1.46 0.00 0.00 42.92 39.28 1j0q s ASP 31 CO -0.08 0.00 1.10 0.18 0.52 0.00 0.00 175.17 176.89 1j0q n LEU 32 N 4.03 2.25 -0.35 -1.34 4.77 -0.25 -4.73 117.00 121.39 1j0q n LEU 32 Ca -0.10 -2.64 0.14 0.00 -0.03 0.00 0.00 56.01 53.39 1j0q n LEU 32 Cb 0.51 -0.26 0.35 0.00 -2.33 0.00 0.00 43.42 41.69 1j0q n LEU 32 CO 0.40 0.63 1.19 0.74 -1.33 0.00 0.00 177.39 179.02 1j0q h THR 33 N 0.07 0.67 -0.22 -5.08 2.02 -1.94 0.76 112.91 109.19 1j0q h THR 33 Ca 0.00 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1j0q h THR 33 Cb 0.81 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1j0q h THR 33 CO 0.00 0.13 -0.01 0.07 0.37 0.00 0.00 175.52 176.08 1j0q h LYS 34 N 0.71 0.40 0.00 6.66 2.10 -1.95 -3.33 116.57 121.15 1j0q h LYS 34 Ca 0.59 -0.13 -0.06 0.00 -2.00 0.00 0.00 60.65 59.04 1j0q h LYS 34 Cb 0.99 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.28 1j0q h LYS 34 CO -0.38 0.60 -0.29 0.35 -2.00 0.00 0.00 179.45 177.73 1j0q h PHE 35 N 0.16 0.00 -0.69 0.07 3.57 0.06 -0.23 116.94 119.88 1j0q h PHE 35 Ca 0.06 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.76 1j0q h PHE 35 Cb 0.42 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.04 1j0q h PHE 35 CO 0.04 0.29 0.04 1.28 -2.23 0.00 0.00 178.31 177.72 1j0q n LEU 36 N -3.66 -0.06 0.17 0.59 4.77 0.12 0.24 117.00 119.18 1j0q n LEU 36 Ca -0.01 1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 57.00 1j0q n LEU 36 Cb 0.40 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 1j0q n LEU 36 CO 0.35 -1.19 0.55 -0.33 -1.33 0.00 0.00 177.39 175.44 1j0q h GLU 37 N 0.00 -0.43 0.00 3.23 4.39 -1.25 -3.29 114.58 117.23 1j0q h GLU 37 Ca 0.43 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.10 1j0q h GLU 37 Cb 0.91 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1j0q h GLU 37 CO -0.64 -0.12 -0.27 0.93 -1.16 0.00 0.00 179.01 177.75 1j0q h GLU 38 N -0.77 0.00 -6.23 2.33 5.08 -1.07 -3.46 114.58 110.46 1j0q h GLU 38 Ca -0.05 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.76 1j0q h GLU 38 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1j0q h GLU 38 CO 0.08 0.27 1.32 1.58 -1.00 0.00 0.00 179.01 181.26 1j0q n HIS 39 N -3.76 2.32 -0.32 4.33 -0.00 0.14 -4.88 115.22 113.05 1j0q n HIS 39 Ca -0.01 -0.29 0.13 0.00 0.46 0.00 0.00 57.72 58.00 1j0q n HIS 39 Cb 0.37 -2.78 0.35 0.00 -0.12 0.00 0.00 29.99 27.82 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 12.10 0.71 -0.48 1.57 0.11 -1.90 0.24 132.00 144.36 1j0q h PRO 40 Ca -0.47 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.67 1j0q h PRO 40 Cb 1.24 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1j0q h PRO 40 CO 0.95 0.47 0.32 0.78 -0.21 0.00 0.00 178.00 180.31 1j0q h GLY 41 N 0.73 0.46 0.00 -0.55 0.00 -1.98 -3.49 103.07 98.24 1j0q h GLY 41 Ca 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1j0q h GLY 41 CO -0.28 0.10 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1j0q n GLY 42 N -1.52 0.30 0.09 4.60 0.00 0.84 -4.56 105.19 104.93 1j0q n GLY 42 Ca 0.07 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 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 0.12 -0.46 1.61 4.22 -1.83 -3.31 114.58 114.93 1j0q h GLU 43 Ca 0.00 -0.11 0.09 0.00 0.08 0.00 0.00 59.36 59.41 1j0q h GLU 43 Cb 0.00 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 1j0q h GLU 43 CO 0.00 0.84 -0.34 0.93 -2.18 0.00 0.00 179.01 178.26 1j0q h GLU 44 N -0.57 -0.23 -0.47 1.92 5.08 -1.92 0.32 114.58 118.71 1j0q h GLU 44 Ca -0.02 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1j0q h GLU 44 Cb 0.89 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1j0q h GLU 44 CO 0.03 -0.15 0.33 -0.39 -1.00 0.00 0.00 179.01 177.83 1j0q h VAL 45 N -0.23 0.81 0.01 3.13 -1.51 -1.81 -0.11 116.25 116.54 1j0q h VAL 45 Ca 0.19 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.62 1j0q h VAL 45 Cb 0.55 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1j0q h VAL 45 CO -0.58 0.02 -0.00 0.25 -1.23 0.00 0.00 177.57 176.02 1j0q h LEU 46 N 0.10 -0.01 -1.29 4.19 7.12 -0.57 -3.34 115.31 121.52 1j0q h LEU 46 Ca 0.22 -0.81 -0.05 0.00 0.13 0.00 0.00 57.88 57.37 1j0q h LEU 46 Cb 0.75 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 1j0q h LEU 46 CO -0.02 0.87 -0.09 0.03 -0.13 0.00 0.00 178.44 179.10 1j0q h ARG 47 N -0.96 0.37 -1.35 1.25 3.08 -0.23 0.24 114.38 116.78 1j0q h ARG 47 Ca -0.00 -0.09 0.39 0.00 0.07 0.00 0.00 59.98 60.35 1j0q h ARG 47 Cb 0.82 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1j0q h ARG 47 CO 0.00 0.47 1.02 1.49 -1.07 0.00 0.00 179.97 181.88 1j0q h GLU 48 N 0.35 0.00 0.00 0.04 4.57 -1.17 -2.40 114.58 115.97 1j0q h GLU 48 Ca 0.07 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.04 1j0q h GLU 48 Cb 0.39 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 1j0q h GLU 48 CO 0.02 0.00 -1.80 1.04 -1.18 0.00 0.00 179.01 177.09 1j0q n GLN 49 N -4.01 2.06 -1.40 1.92 1.13 0.36 -5.07 117.38 112.37 1j0q n GLN 49 Ca 0.29 -0.01 -0.34 0.00 -1.94 0.00 0.00 57.00 55.01 1j0q n GLN 49 Cb 1.45 -1.30 0.09 0.00 0.11 0.00 0.00 30.24 30.59 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j0q s ALA 50 N -2.29 2.11 -1.31 -1.58 0.00 0.58 -2.79 121.76 116.47 1j0q s ALA 50 Ca -0.06 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 1j0q s ALA 50 Cb 0.04 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1j0q s ALA 50 CO 0.48 -1.89 0.96 0.41 0.00 0.00 0.00 175.76 175.72 1j0q n GLY 51 N 0.27 -0.40 3.82 0.00 0.00 1.00 -4.79 105.19 105.09 1j0q n GLY 51 Ca 0.13 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.99 -0.32 0.15 -0.02 0.00 -1.12 -4.25 107.32 97.78 1j0q s GLY 52 Ca 0.22 0.47 -0.31 0.00 0.00 0.00 0.00 44.72 45.09 1j0q s GLY 52 CO 0.77 3.70 1.55 -0.35 0.00 0.00 0.00 173.10 178.77 1j0q s ASP 53 N -3.51 6.62 -0.07 1.64 2.15 -1.26 -1.98 116.67 120.26 1j0q s ASP 53 Ca 0.24 2.57 0.10 0.00 0.43 0.00 0.00 52.55 55.89 1j0q s ASP 53 Cb 0.03 -2.59 0.15 0.00 -0.30 0.00 0.00 42.92 40.21 1j0q s ASP 53 CO -0.04 -0.81 1.06 0.00 -0.17 0.00 0.00 175.17 175.22 1j0q n ALA 54 N 4.07 2.10 0.28 3.66 0.00 0.07 -4.85 120.51 125.84 1j0q n ALA 54 Ca 0.14 -1.82 -0.16 0.00 0.00 0.00 0.00 53.44 51.59 1j0q n ALA 54 Cb 0.39 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 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 3.02 0.43 0.07 0.00 2.02 -1.77 0.57 112.91 117.24 1j0q h THR 55 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1j0q h THR 55 Cb 1.15 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1j0q h THR 55 CO 0.00 0.00 -0.22 -0.08 0.37 0.00 0.00 175.52 175.59 1j0q h GLU 56 N -0.71 -0.37 -0.44 6.66 4.81 -1.91 -1.42 114.58 121.20 1j0q h GLU 56 Ca -0.06 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1j0q h GLU 56 Cb 0.57 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1j0q h GLU 56 CO 0.07 -0.25 0.20 -0.97 -0.73 0.00 0.00 179.01 177.33 1j0q h ASN 57 N -0.39 0.27 -0.28 1.04 -0.73 -1.89 0.32 115.58 113.91 1j0q h ASN 57 Ca 0.04 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.29 1j0q h ASN 57 Cb 0.43 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.96 1j0q h ASN 57 CO -0.15 0.20 -0.00 0.15 -0.37 0.00 0.00 177.43 177.25 1j0q h PHE 58 N 0.40 -0.02 -0.32 0.67 3.57 -0.47 -1.00 116.94 119.78 1j0q h PHE 58 Ca 0.20 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 1j0q h PHE 58 Cb 0.13 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1j0q h PHE 58 CO -0.12 -0.05 -0.34 0.93 -2.23 0.00 0.00 178.31 176.51 1j0q h GLU 59 N 0.08 0.71 0.45 1.11 4.39 -0.79 -2.98 114.58 117.56 1j0q h GLU 59 Ca 0.14 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1j0q h GLU 59 Cb 0.18 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1j0q h GLU 59 CO -0.23 0.94 -0.22 0.22 -1.16 0.00 0.00 179.01 178.56 1j0q h ASP 60 N 0.59 -0.52 -0.39 1.42 3.58 0.01 -0.88 116.42 120.23 1j0q h ASP 60 Ca 0.06 0.02 -0.47 0.00 0.42 0.00 0.00 57.03 57.06 1j0q h ASP 60 Cb 0.86 0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 1j0q h ASP 60 CO 0.07 -0.37 1.41 1.41 -2.88 0.00 0.00 179.24 178.89 1j0q n HIS 61 N -5.35 1.40 0.00 0.28 8.25 -0.41 -4.91 115.22 114.47 1j0q n HIS 61 Ca -0.11 -2.25 0.00 0.00 -0.26 0.00 0.00 57.72 55.10 1j0q n HIS 61 Cb 0.26 -1.85 0.00 0.00 1.12 0.00 0.00 29.99 29.52 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 2.37 0.00 3.76 -1.41 0.00 -0.34 -4.80 105.19 104.77 1j0q n GLY 62 Ca 0.57 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 2.99 0.88 1.61 3.76 -1.13 -4.97 115.29 118.42 1j0q s HIS 63 Ca 0.00 1.19 -0.11 0.00 -0.15 0.00 0.00 55.06 55.99 1j0q s HIS 63 Cb 0.00 -3.79 0.12 0.00 1.11 0.00 0.00 32.58 30.03 1j0q s HIS 63 CO 0.00 -2.38 1.10 -1.12 -0.85 0.00 0.00 174.74 171.49 1j0q s SER 64 N -0.01 3.47 0.51 1.40 0.01 -1.26 -4.66 113.70 113.16 1j0q s SER 64 Ca 0.55 1.82 0.27 0.00 1.31 0.00 0.00 55.95 59.90 1j0q s SER 64 Cb -0.41 -2.43 1.39 0.00 0.21 0.00 0.00 66.02 64.78 1j0q s SER 64 CO 0.49 -2.69 1.91 0.00 0.41 0.00 0.00 173.24 173.36 1j0q h THR 65 N -1.58 0.62 0.51 1.44 1.03 -1.98 0.16 112.91 113.12 1j0q h THR 65 Ca -0.46 -0.03 -0.02 0.00 -0.01 0.00 0.00 66.41 65.89 1j0q h THR 65 Cb 1.26 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.88 1j0q h THR 65 CO 0.49 0.01 -0.36 0.44 -0.01 0.00 0.00 175.52 176.10 1j0q h ASP 66 N 0.08 -0.93 -0.64 0.00 5.19 -1.99 0.27 116.42 118.40 1j0q h ASP 66 Ca 0.39 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 1j0q h ASP 66 Cb 1.43 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 41.20 1j0q h ASP 66 CO -0.03 -0.54 0.09 0.00 -3.12 0.00 0.00 179.24 175.63 1j0q h ALA 67 N -0.47 0.85 0.51 3.45 0.00 -1.57 -0.16 119.26 121.87 1j0q h ALA 67 Ca -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1j0q h ALA 67 Cb 0.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j0q h ALA 67 CO 0.03 0.62 -0.24 0.00 0.00 0.00 0.00 179.25 179.66 1j0q h ARG 68 N 0.98 -0.65 -0.54 0.00 3.08 -0.93 0.21 114.38 116.53 1j0q h ARG 68 Ca 0.19 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.40 1j0q h ARG 68 Cb 0.45 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.54 1j0q h ARG 68 CO 0.01 -0.43 -0.19 1.49 -1.07 0.00 0.00 179.97 179.79 1j0q h GLU 69 N -0.68 -0.05 -0.75 0.04 4.57 -0.30 0.10 114.58 117.50 1j0q h GLU 69 Ca -0.07 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.26 1j0q h GLU 69 Cb 0.52 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.03 1j0q h GLU 69 CO 0.11 -0.04 0.28 -0.07 -1.18 0.00 0.00 179.01 178.12 1j0q h LEU 70 N -0.06 0.23 -1.48 1.64 -0.00 -0.74 -0.54 115.31 114.38 1j0q h LEU 70 Ca 0.26 0.12 0.02 0.00 -0.00 0.00 0.00 57.88 58.27 1j0q h LEU 70 Cb 0.45 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 1j0q h LEU 70 CO -0.59 0.08 0.38 0.77 -0.00 0.00 0.00 178.44 179.08 1j0q h SER 71 N 0.41 0.60 0.63 -0.43 4.64 0.20 0.12 113.55 119.71 1j0q h SER 71 Ca 0.41 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.69 1j0q h SER 71 Cb 0.64 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1j0q h SER 71 CO -0.42 0.42 -0.32 0.11 -0.87 0.00 0.00 176.83 175.75 1j0q h LYS 72 N 0.70 -0.84 0.00 4.77 1.57 -0.32 -1.34 116.57 121.11 1j0q h LYS 72 Ca 0.22 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1j0q h LYS 72 Cb 0.03 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1j0q h LYS 72 CO -0.06 -0.56 -0.01 0.00 -0.57 0.00 0.00 179.45 178.25 1j0q h THR 73 N -0.87 0.06 -0.00 -0.16 1.03 -0.89 -0.32 112.91 111.76 1j0q h THR 73 Ca -0.08 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.03 1j0q h THR 73 Cb 0.68 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1j0q h THR 73 CO 0.13 0.01 -0.14 0.49 -0.01 0.00 0.00 175.52 176.00 1j0q n PHE 74 N -3.15 0.00 -1.64 0.00 3.72 0.31 -4.88 117.46 111.83 1j0q n PHE 74 Ca -0.01 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.90 1j0q n PHE 74 Cb 0.19 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.08 0.02 -0.80 4.37 2.08 -0.13 -1.37 119.36 122.46 1j0q n ILE 75 Ca 0.12 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1j0q n ILE 75 Cb 0.29 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 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 3.02 0.01 -1.81 1.39 -5.35 -0.64 -4.90 119.36 111.08 1j0q n ILE 76 Ca 0.17 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1j0q n ILE 76 Cb 0.25 1.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.89 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 -0.01 -2.15 3.22 3.28 0.00 -1.23 -4.87 105.19 103.45 1j0q n GLY 77 Ca 0.00 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.92 0.85 -0.45 1.61 8.01 -1.26 -0.86 118.70 124.67 1j0q s GLU 78 Ca 0.00 -0.84 -0.28 0.00 0.01 0.00 0.00 54.97 53.86 1j0q s GLU 78 Cb 0.00 0.35 -0.00 0.00 -4.31 0.00 0.00 34.13 30.17 1j0q s GLU 78 CO 0.00 -0.28 1.63 -1.17 0.01 0.00 0.00 175.26 175.45 1j0q s LEU 79 N -2.68 3.46 -0.13 1.80 1.98 0.70 0.04 118.68 123.85 1j0q s LEU 79 Ca 0.02 0.78 -0.29 0.00 -2.89 0.00 0.00 54.13 51.76 1j0q s LEU 79 Cb 0.03 -3.24 -0.05 0.00 0.66 0.00 0.00 46.19 43.59 1j0q s LEU 79 CO -0.10 -1.77 1.84 -2.28 -1.89 0.00 0.00 176.35 172.16 1j0q s HIS 80 N 6.76 1.66 -0.27 5.38 5.65 -0.01 -4.86 115.29 129.61 1j0q s HIS 80 Ca 0.67 0.23 0.14 0.00 0.25 0.00 0.00 55.06 56.35 1j0q s HIS 80 Cb -0.16 -4.03 0.76 0.00 -1.18 0.00 0.00 32.58 27.97 1j0q s HIS 80 CO 0.29 -4.00 1.37 -2.30 -0.65 0.00 0.00 174.74 169.45 1j0q n PRO 81 N 7.80 0.09 0.24 2.88 -0.02 -1.26 -0.83 135.00 143.91 1j0q n PRO 81 Ca 0.21 0.56 0.16 0.00 -2.02 0.00 0.00 63.50 62.42 1j0q n PRO 81 Cb 0.44 -1.92 0.87 0.00 -0.02 0.00 0.00 33.50 32.87 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 0.00 2.55 3.58 -1.99 -3.35 116.42 117.21 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 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1j0q h ASP 82 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 1j0q n ASP 83 N -2.64 0.00 0.00 2.28 2.03 -0.01 -5.16 116.55 113.05 1j0q n ASP 83 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1j0q n ASP 83 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82