#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 1.83 -0.03 0.00 -7.23 -1.26 -5.04 120.40 108.67 1j0q s VAL 4 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 1j0q s VAL 4 Cb 0.00 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1j0q s VAL 4 CO 0.00 0.00 -0.11 1.17 -0.31 0.00 0.00 175.10 175.85 1j0q n LYS 5 N -4.77 0.16 0.00 4.82 0.00 -1.26 -5.15 118.16 111.96 1j0q n LYS 5 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1j0q n LYS 5 Cb 0.57 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.91 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 -3.36 0.00 -3.87 5.64 4.01 -1.26 -5.06 117.16 113.25 1j0q n TYR 6 Ca -0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 1j0q n TYR 6 Cb 0.16 -0.30 -0.17 0.00 -0.31 0.00 0.00 39.34 38.72 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 -2.01 1.41 0.34 -0.72 1.51 -0.25 -4.93 117.35 112.70 1j0q s TYR 7 Ca 0.00 -0.76 -0.17 0.00 -1.01 0.00 0.00 57.07 55.13 1j0q s TYR 7 Cb 0.00 -1.18 -0.09 0.00 -0.11 0.00 0.00 41.96 40.57 1j0q s TYR 7 CO 0.00 -0.52 0.79 0.95 -1.11 0.00 0.00 175.55 175.66 1j0q s THR 8 N 1.73 4.58 0.29 -0.71 -4.23 -1.26 -0.64 115.64 115.40 1j0q s THR 8 Ca 0.03 1.14 0.04 0.00 -1.18 0.00 0.00 61.69 61.73 1j0q s THR 8 Cb -0.13 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.34 1j0q s THR 8 CO -0.08 -0.16 1.73 0.25 -0.54 0.00 0.00 174.62 175.83 1j0q h LEU 9 N 2.34 0.51 -0.98 4.79 6.46 -1.95 0.33 115.31 126.82 1j0q h LEU 9 Ca -0.48 0.13 0.21 0.00 -0.12 0.00 0.00 57.88 57.61 1j0q h LEU 9 Cb 1.18 0.06 -0.19 0.00 -0.73 0.00 0.00 40.66 40.98 1j0q h LEU 9 CO 0.64 0.12 -0.21 1.21 -0.62 0.00 0.00 178.44 179.58 1j0q n GLU 10 N -4.93 -0.09 0.04 1.25 4.07 -1.26 -0.75 120.64 118.98 1j0q n GLU 10 Ca 0.22 1.52 -0.11 0.00 -0.06 0.00 0.00 57.16 58.74 1j0q n GLU 10 Cb 0.60 -2.30 -0.08 0.00 -0.06 0.00 0.00 31.44 29.61 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 -0.18 -0.62 5.31 4.39 -0.86 -3.37 114.58 119.25 1j0q h GLU 11 Ca 0.49 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.28 1j0q h GLU 11 Cb 0.78 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.41 1j0q h GLU 11 CO -1.00 0.26 0.29 0.82 -1.16 0.00 0.00 179.01 178.22 1j0q h ILE 12 N -0.87 0.87 -0.93 3.13 2.04 0.92 0.26 117.51 122.93 1j0q h ILE 12 Ca -0.02 -0.18 0.19 0.00 1.00 0.00 0.00 64.86 65.85 1j0q h ILE 12 Cb 0.53 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1j0q h ILE 12 CO 0.03 0.10 0.60 1.56 0.00 0.00 0.00 178.15 180.44 1j0q h GLN 13 N 0.52 0.52 -0.64 2.37 4.20 -1.12 -3.15 115.11 117.82 1j0q h GLN 13 Ca 0.30 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1j0q h GLN 13 Cb 0.28 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1j0q h GLN 13 CO -0.24 0.35 0.00 1.17 -0.67 0.00 0.00 178.83 179.44 1j0q n LYS 14 N -4.58 2.62 0.00 1.46 3.00 0.90 -4.62 118.16 116.94 1j0q n LYS 14 Ca 0.20 -2.50 0.00 0.00 -0.00 0.00 0.00 58.31 56.01 1j0q n LYS 14 Cb 0.63 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 34.12 1j0q n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1j0q n HIS 15 N 1.57 0.00 -2.23 5.64 8.25 -1.14 -4.84 115.22 122.46 1j0q n HIS 15 Ca 0.23 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.49 1j0q n HIS 15 Cb 0.60 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 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 0.00 -5.53 0.17 0.41 6.94 0.14 -4.28 115.26 113.10 1j0q n ASN 16 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1j0q n ASN 16 Cb 0.00 -4.67 0.00 0.00 -2.36 0.00 0.00 39.78 32.75 1j0q n ASN 16 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1j0q n ASN 17 N -1.83 -3.01 -0.03 0.53 3.02 -1.26 -4.92 115.26 107.75 1j0q n ASN 17 Ca -0.23 0.65 -0.03 0.00 -0.03 0.00 0.00 54.58 54.94 1j0q n ASN 17 Cb 0.67 2.94 -0.01 0.00 -0.61 0.00 0.00 39.78 42.77 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1j0q n SER 18 N -3.17 0.83 0.00 6.41 3.41 -1.26 -4.94 113.62 114.90 1j0q n SER 18 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1j0q n SER 18 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1j0q n SER 18 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1j0q n LYS 19 N -3.32 0.00 -3.43 4.33 2.85 -1.26 -5.01 118.16 112.31 1j0q n LYS 19 Ca -0.05 0.20 -0.12 0.00 -1.05 0.00 0.00 58.31 57.29 1j0q n LYS 19 Cb 0.20 -0.92 -0.02 0.00 -0.65 0.00 0.00 35.03 33.63 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1j0q s SER 20 N -1.89 -0.55 -0.43 -5.58 0.15 -1.26 -5.00 113.70 99.14 1j0q s SER 20 Ca 0.00 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.49 1j0q s SER 20 Cb 0.00 0.59 0.04 0.00 -1.71 0.00 0.00 66.02 64.94 1j0q s SER 20 CO 0.00 -0.96 0.35 -0.89 1.20 0.00 0.00 173.24 172.94 1j0q s THR 21 N -3.71 5.23 -0.06 6.45 2.01 -1.26 -0.69 115.64 123.62 1j0q s THR 21 Ca 0.01 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 1j0q s THR 21 Cb -0.01 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1j0q s THR 21 CO -0.13 -0.42 0.06 0.26 -0.69 0.00 0.00 174.62 173.70 1j0q s TRP 22 N 1.71 3.29 0.06 4.92 0.52 -1.26 -1.05 118.94 127.13 1j0q s TRP 22 Ca 0.05 0.26 -0.04 0.00 0.02 0.00 0.00 56.10 56.39 1j0q s TRP 22 Cb -0.21 -1.79 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 1j0q s TRP 22 CO 0.09 0.55 0.05 -0.51 0.02 0.00 0.00 176.95 177.15 1j0q s LEU 23 N -1.24 2.10 -0.24 2.99 1.02 0.07 -0.02 118.68 123.36 1j0q s LEU 23 Ca 0.17 -0.84 -0.10 0.00 0.02 0.00 0.00 54.13 53.39 1j0q s LEU 23 Cb -0.12 0.48 -0.05 0.00 0.02 0.00 0.00 46.19 46.53 1j0q s LEU 23 CO 0.07 -0.62 0.15 -0.63 0.02 0.00 0.00 176.35 175.34 1j0q s ILE 24 N -3.69 5.27 -0.40 -0.59 1.01 -0.13 -0.43 121.20 122.23 1j0q s ILE 24 Ca 0.04 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1j0q s ILE 24 Cb 0.06 -3.45 0.12 0.00 0.01 0.00 0.00 42.46 39.20 1j0q s ILE 24 CO -0.09 0.35 0.19 -0.76 0.00 0.00 0.00 174.94 174.63 1j0q s LEU 25 N 1.06 2.62 -0.54 2.97 1.02 -0.35 -0.62 118.68 124.84 1j0q s LEU 25 Ca 0.07 -2.33 -0.01 0.00 0.02 0.00 0.00 54.13 51.88 1j0q s LEU 25 Cb -0.14 -1.00 -0.01 0.00 0.02 0.00 0.00 46.19 45.06 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 3.93 -1.09 0.00 0.29 8.25 -1.26 -3.79 115.22 121.55 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 0.37 -3.38 0.00 0.00 1.12 0.00 0.00 29.99 28.09 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 -2.41 0.00 -1.60 4.41 4.01 -1.26 -4.93 117.16 115.38 1j0q n TYR 27 Ca -0.09 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.28 1j0q n TYR 27 Cb 0.57 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.91 -4.76 -0.72 4.01 -1.25 -0.42 118.16 115.92 1j0q n LYS 28 Ca 0.00 0.37 -0.33 0.00 -0.51 0.00 0.00 58.31 57.84 1j0q n LYS 28 Cb 0.00 -2.46 -0.13 0.00 -0.51 0.00 0.00 35.03 31.93 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 -1.54 3.27 -0.12 -0.18 1.01 -0.00 -1.22 120.40 121.62 1j0q s VAL 29 Ca 0.80 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1j0q s VAL 29 Cb -0.37 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1j0q s VAL 29 CO 0.43 0.57 -0.05 -0.31 0.00 0.00 0.00 175.10 175.74 1j0q s TYR 30 N -0.35 1.36 -0.12 5.22 1.51 0.42 -0.98 117.35 124.42 1j0q s TYR 30 Ca 0.04 -0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1j0q s TYR 30 Cb -0.12 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1j0q s TYR 30 CO 0.02 -0.51 0.02 0.34 -1.11 0.00 0.00 175.55 174.32 1j0q s ASP 31 N 1.75 5.37 0.00 2.29 -1.08 -0.54 -0.76 116.67 123.71 1j0q s ASP 31 Ca 0.04 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.20 1j0q s ASP 31 Cb -0.13 -1.67 0.00 0.00 -1.46 0.00 0.00 42.92 39.66 1j0q s ASP 31 CO -0.08 0.32 0.00 0.18 0.52 0.00 0.00 175.17 176.11 1j0q n LEU 32 N 2.56 0.00 0.00 -1.34 4.77 -0.21 -4.71 117.00 118.07 1j0q n LEU 32 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 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 0.30 -0.02 0.00 0.41 -1.33 0.00 0.00 177.39 176.76 1j0q n THR 33 N -1.05 0.00 -0.07 -5.08 -1.04 -1.26 -3.90 114.28 101.89 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 0.62 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.16 0.00 -2.82 1.57 -1.97 -0.82 116.57 112.69 1j0q h LYS 34 Ca 0.00 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1j0q h LYS 34 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1j0q h LYS 34 CO 0.00 0.11 -0.66 0.35 -0.57 0.00 0.00 179.45 178.68 1j0q h PHE 35 N 0.17 0.00 -0.97 -1.35 3.57 -1.97 -3.11 116.94 113.27 1j0q h PHE 35 Ca 0.30 0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.04 1j0q h PHE 35 Cb 0.95 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.56 1j0q h PHE 35 CO -0.00 0.66 0.54 -0.07 -2.23 0.00 0.00 178.31 177.21 1j0q h LEU 36 N 0.00 0.58 -0.58 0.59 3.38 -1.46 0.26 115.31 118.07 1j0q h LEU 36 Ca -0.01 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1j0q h LEU 36 Cb 1.24 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1j0q h LEU 36 CO 0.09 0.07 0.34 -0.08 0.09 0.00 0.00 178.44 178.95 1j0q h GLU 37 N 0.53 0.65 -0.02 1.13 4.81 -1.66 -3.04 114.58 116.98 1j0q h GLU 37 Ca 0.62 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.66 1j0q h GLU 37 Cb 1.18 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.42 1j0q h GLU 37 CO -0.49 0.43 -0.57 1.49 -0.73 0.00 0.00 179.01 179.14 1j0q h GLU 38 N 0.67 0.42 -5.80 1.92 4.81 -1.06 -3.47 114.58 112.06 1j0q h GLU 38 Ca 0.24 -0.43 -0.65 0.00 -0.13 0.00 0.00 59.36 58.39 1j0q h GLU 38 Cb 0.05 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1j0q h GLU 38 CO -0.12 1.09 1.47 1.58 -0.73 0.00 0.00 179.01 182.30 1j0q n HIS 39 N -4.23 1.31 -0.32 0.92 -0.00 0.68 -4.85 115.22 108.72 1j0q n HIS 39 Ca -0.10 0.40 0.20 0.00 0.46 0.00 0.00 57.72 58.69 1j0q n HIS 39 Cb 0.65 -2.46 0.47 0.00 -0.12 0.00 0.00 29.99 28.54 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 12.11 0.46 -0.34 1.57 0.11 -1.90 0.84 132.00 144.84 1j0q h PRO 40 Ca -0.19 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.98 1j0q h PRO 40 Cb 1.34 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1j0q h PRO 40 CO 1.11 0.30 0.24 0.78 -0.21 0.00 0.00 178.00 180.22 1j0q h GLY 41 N 0.47 0.11 0.00 -0.55 0.00 -1.97 -3.49 103.07 97.64 1j0q h GLY 41 Ca 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1j0q h GLY 41 CO -0.32 0.02 0.00 0.61 0.00 0.00 0.00 176.54 176.85 1j0q n GLY 42 N -1.58 1.90 0.04 4.60 0.00 0.29 -4.85 105.19 105.58 1j0q n GLY 42 Ca 0.05 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 -0.73 1.61 4.22 -1.82 -3.35 114.58 114.51 1j0q h GLU 43 Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 59.36 59.60 1j0q h GLU 43 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1j0q h GLU 43 CO 0.00 0.00 0.18 0.93 -2.18 0.00 0.00 179.01 177.94 1j0q h GLU 44 N -0.65 0.27 -0.99 1.92 4.39 -1.96 0.48 114.58 118.04 1j0q h GLU 44 Ca 0.00 -0.02 0.20 0.00 0.34 0.00 0.00 59.36 59.89 1j0q h GLU 44 Cb 0.19 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.68 1j0q h GLU 44 CO 0.00 0.18 0.62 -0.24 -1.16 0.00 0.00 179.01 178.40 1j0q h VAL 45 N 0.28 0.68 0.18 3.13 3.04 -1.89 0.28 116.25 121.94 1j0q h VAL 45 Ca 0.41 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 65.87 1j0q h VAL 45 Cb 0.69 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1j0q h VAL 45 CO -0.50 0.12 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.02 1j0q h LEU 46 N 0.65 -0.20 -0.75 3.16 3.38 -0.28 -3.33 115.31 117.94 1j0q h LEU 46 Ca 0.56 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.40 1j0q h LEU 46 Cb 1.03 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1j0q h LEU 46 CO -0.33 0.12 0.40 -0.09 0.09 0.00 0.00 178.44 178.63 1j0q h ARG 47 N -0.54 0.66 -0.83 1.13 1.12 0.14 0.41 114.38 116.46 1j0q h ARG 47 Ca -0.02 -0.04 0.20 0.00 -1.11 0.00 0.00 59.98 59.01 1j0q h ARG 47 Cb 0.41 -0.15 -0.14 0.00 -0.01 0.00 0.00 29.97 30.08 1j0q h ARG 47 CO 0.04 0.44 0.08 1.49 -3.11 0.00 0.00 179.97 178.90 1j0q h GLU 48 N 0.68 0.12 0.09 0.20 4.57 -0.74 -1.46 114.58 118.05 1j0q h GLU 48 Ca 0.36 -0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 58.26 1j0q h GLU 48 Cb 0.35 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1j0q h GLU 48 CO -0.25 0.08 -1.33 1.96 -1.18 0.00 0.00 179.01 178.29 1j0q h GLN 49 N 0.13 0.20 -7.11 1.92 1.08 -0.71 -3.47 115.11 107.14 1j0q h GLN 49 Ca 0.48 -0.34 -0.54 0.00 -1.45 0.00 0.00 58.65 56.80 1j0q h GLN 49 Cb 0.90 0.13 0.19 0.00 -0.05 0.00 0.00 27.48 28.65 1j0q h GLN 49 CO -0.70 1.10 0.14 0.00 -0.95 0.00 0.00 178.83 178.43 1j0q n ALA 50 N -2.55 -0.59 -4.16 3.87 0.00 0.11 -1.54 120.51 115.66 1j0q n ALA 50 Ca -0.10 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.65 1j0q n ALA 50 Cb 1.02 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 0.71 -0.21 0.00 0.00 0.00 0.97 -4.90 105.19 101.76 1j0q n GLY 51 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.12 -1.26 3.75 -0.02 0.00 -0.59 -4.27 105.19 100.69 1j0q n GLY 52 Ca -0.26 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.70 7.42 -0.01 1.61 2.15 -1.22 -0.95 116.67 121.96 1j0q s ASP 53 Ca 0.00 2.13 0.13 0.00 0.43 0.00 0.00 52.55 55.24 1j0q s ASP 53 Cb 0.00 -2.62 0.23 0.00 -0.30 0.00 0.00 42.92 40.23 1j0q s ASP 53 CO 0.00 -0.03 1.09 0.00 -0.17 0.00 0.00 175.17 176.06 1j0q n ALA 54 N 1.40 2.21 0.10 3.66 0.00 0.21 -4.75 120.51 123.34 1j0q n ALA 54 Ca -0.01 -1.74 -0.05 0.00 0.00 0.00 0.00 53.44 51.64 1j0q n ALA 54 Cb 0.46 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 6.79 0.00 0.13 0.00 2.02 -1.83 0.28 112.91 120.30 1j0q h THR 55 Ca -0.12 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1j0q h THR 55 Cb 1.64 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1j0q h THR 55 CO 0.05 0.00 -0.18 -0.08 0.37 0.00 0.00 175.52 175.68 1j0q h GLU 56 N -0.29 -0.36 -0.58 6.66 4.81 -1.95 -2.47 114.58 120.40 1j0q h GLU 56 Ca -0.02 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1j0q h GLU 56 Cb 0.24 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.60 1j0q h GLU 56 CO 0.01 -0.24 -0.09 -0.97 -0.73 0.00 0.00 179.01 176.99 1j0q h ASN 57 N -0.37 -0.44 0.56 1.04 -0.73 -1.94 0.13 115.58 113.83 1j0q h ASN 57 Ca 0.02 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 1j0q h ASN 57 Cb 0.37 0.32 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 1j0q h ASN 57 CO -0.08 -0.16 -0.42 0.15 -0.37 0.00 0.00 177.43 176.55 1j0q h PHE 58 N 0.04 -1.13 0.02 0.67 3.57 -0.74 -2.55 116.94 116.82 1j0q h PHE 58 Ca 0.29 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1j0q h PHE 58 Cb 0.45 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1j0q h PHE 58 CO -0.43 -0.61 -0.01 0.93 -2.23 0.00 0.00 178.31 175.96 1j0q h GLU 59 N -0.95 -0.03 -0.88 1.11 4.39 -0.82 -2.95 114.58 114.45 1j0q h GLU 59 Ca -0.06 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.76 1j0q h GLU 59 Cb 0.80 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.32 1j0q h GLU 59 CO 0.02 0.17 -0.38 -3.47 -1.16 0.00 0.00 179.01 174.18 1j0q n ASP 60 N -5.01 -0.65 0.00 1.42 2.03 0.34 -0.86 116.55 113.82 1j0q n ASP 60 Ca -0.08 1.54 0.02 0.00 0.52 0.00 0.00 54.79 56.79 1j0q n ASP 60 Cb 0.13 -0.32 0.12 0.00 -0.72 0.00 0.00 41.12 40.33 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 -5.25 0.00 -2.66 -0.67 8.25 -0.96 -4.82 115.22 109.12 1j0q n HIS 61 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1j0q n HIS 61 Cb 0.32 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.81 0.01 3.61 -1.41 0.00 -0.04 -4.94 105.19 101.61 1j0q n GLY 62 Ca 0.03 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.94 1.28 -0.83 1.61 8.25 -1.26 -4.94 115.22 115.39 1j0q n HIS 63 Ca -0.07 0.58 -0.31 0.00 -0.26 0.00 0.00 57.72 57.67 1j0q n HIS 63 Cb 0.57 -2.25 0.15 0.00 1.12 0.00 0.00 29.99 29.58 1j0q n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j0q s SER 64 N -0.66 3.30 0.17 0.41 0.15 -1.26 -4.71 113.70 111.09 1j0q s SER 64 Ca 0.61 2.10 -0.21 0.00 0.70 0.00 0.00 55.95 59.16 1j0q s SER 64 Cb -0.58 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.25 1j0q s SER 64 CO 0.58 -2.85 1.61 0.71 1.20 0.00 0.00 173.24 174.49 1j0q h THR 65 N -1.69 0.31 -0.82 6.45 1.35 -1.98 -0.05 112.91 116.47 1j0q h THR 65 Ca -0.43 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 65.62 1j0q h THR 65 Cb 1.26 0.31 -0.15 0.00 -1.73 0.00 0.00 68.15 67.84 1j0q h THR 65 CO 0.44 0.00 -0.06 0.44 -0.25 0.00 0.00 175.52 176.09 1j0q h ASP 66 N -0.20 -0.51 -0.56 5.36 5.19 -1.98 0.57 116.42 124.29 1j0q h ASP 66 Ca 0.18 0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 56.72 1j0q h ASP 66 Cb 0.49 0.43 -0.02 0.00 0.18 0.00 0.00 39.33 40.41 1j0q h ASP 66 CO -0.51 -0.24 -0.04 0.00 -3.12 0.00 0.00 179.24 175.33 1j0q h ALA 67 N 1.80 0.76 0.80 3.45 0.00 -1.57 0.15 119.26 124.64 1j0q h ALA 67 Ca 0.44 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1j0q h ALA 67 Cb 0.78 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1j0q h ALA 67 CO -0.77 0.62 -0.38 0.00 0.00 0.00 0.00 179.25 178.71 1j0q h ARG 68 N 0.89 -1.03 -0.72 0.00 3.08 0.11 0.44 114.38 117.16 1j0q h ARG 68 Ca 0.15 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.36 1j0q h ARG 68 Cb 0.59 0.23 -0.10 0.00 0.08 0.00 0.00 29.97 30.77 1j0q h ARG 68 CO 0.04 -0.69 -0.34 0.39 -1.07 0.00 0.00 179.97 178.29 1j0q n GLU 69 N -4.96 -0.23 -0.18 0.04 -0.58 0.17 -0.59 120.64 114.30 1j0q n GLU 69 Ca -0.13 1.10 -0.00 0.00 -0.42 0.00 0.00 57.16 57.70 1j0q n GLU 69 Cb 0.42 -1.62 0.09 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.16 -1.34 -4.62 -0.00 -0.45 -0.21 115.31 108.53 1j0q h LEU 70 Ca 0.19 0.13 0.07 0.00 -0.00 0.00 0.00 57.88 58.27 1j0q h LEU 70 Cb 0.37 0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 41.19 1j0q h LEU 70 CO -0.70 -0.06 0.50 0.77 -0.00 0.00 0.00 178.44 178.95 1j0q h SER 71 N 0.16 0.70 0.41 -0.43 4.64 0.14 0.64 113.55 119.82 1j0q h SER 71 Ca 0.29 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1j0q h SER 71 Cb 0.45 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1j0q h SER 71 CO -0.44 0.44 -0.30 0.11 -0.87 0.00 0.00 176.83 175.76 1j0q h LYS 72 N 0.79 -0.68 0.00 4.77 1.57 -0.29 -2.10 116.57 120.62 1j0q h LYS 72 Ca 0.33 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1j0q h LYS 72 Cb 0.29 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1j0q h LYS 72 CO -0.12 -0.45 -0.12 0.00 -0.57 0.00 0.00 179.45 178.19 1j0q h THR 73 N -0.71 0.58 0.00 -0.16 1.03 -0.87 -0.60 112.91 112.19 1j0q h THR 73 Ca -0.04 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1j0q h THR 73 Cb 0.60 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 1j0q h THR 73 CO 0.01 0.11 0.00 0.49 -0.01 0.00 0.00 175.52 176.12 1j0q n PHE 74 N -3.67 0.86 -1.69 0.00 3.72 0.12 -4.81 117.46 112.00 1j0q n PHE 74 Ca -0.02 0.31 -0.45 0.00 -0.05 0.00 0.00 57.45 57.24 1j0q n PHE 74 Cb 0.23 -1.00 -0.04 0.00 -0.94 0.00 0.00 39.48 37.74 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 -2.26 0.09 0.00 4.37 5.41 -0.24 -1.47 119.36 125.27 1j0q n ILE 75 Ca 0.03 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1j0q n ILE 75 Cb 0.30 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 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 3.85 0.00 -2.01 1.39 -5.35 -0.15 -4.93 119.36 112.16 1j0q n ILE 76 Ca 0.17 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1j0q n ILE 76 Cb 0.31 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 0.96 -1.26 3.12 3.28 0.00 -1.20 -4.97 105.19 105.13 1j0q n GLY 77 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.83 0.52 0.06 1.61 2.02 -1.26 -0.82 118.70 120.00 1j0q s GLU 78 Ca 0.00 -0.44 -0.31 0.00 0.02 0.00 0.00 54.97 54.24 1j0q s GLU 78 Cb 0.00 0.21 -0.10 0.00 0.10 0.00 0.00 34.13 34.35 1j0q s GLU 78 CO 0.00 -0.13 1.93 -0.11 0.02 0.00 0.00 175.26 176.98 1j0q n LEU 79 N 1.32 4.11 -4.67 1.80 0.00 0.43 -1.09 117.00 118.91 1j0q n LEU 79 Ca -0.22 0.93 -0.36 0.00 0.00 0.00 0.00 56.01 56.36 1j0q n LEU 79 Cb 0.56 -1.53 0.09 0.00 0.00 0.00 0.00 43.42 42.54 1j0q n LEU 79 CO 0.21 0.19 0.71 1.57 0.00 0.00 0.00 177.39 180.07 1j0q n HIS 80 N 6.95 1.23 0.07 1.96 -0.00 0.19 -4.83 115.22 120.78 1j0q n HIS 80 Ca 0.20 0.41 -0.11 0.00 -0.00 0.00 0.00 57.72 58.21 1j0q n HIS 80 Cb 0.39 -2.15 -0.13 0.00 -0.00 0.00 0.00 29.99 28.10 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 -0.08 0.11 0.00 1.57 0.11 -1.91 -2.74 132.00 129.06 1j0q h PRO 81 Ca -0.48 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.44 1j0q h PRO 81 Cb 1.33 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1j0q h PRO 81 CO 0.49 1.04 0.00 0.22 -0.21 0.00 0.00 178.00 179.54 1j0q h ASP 82 N 0.03 0.00 0.00 -2.05 3.58 -2.01 -3.36 116.42 112.61 1j0q h ASP 82 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1j0q h ASP 82 Cb 1.88 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.93 1j0q h ASP 82 CO 0.15 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.98 1j0q n ASP 83 N -2.80 0.00 0.00 2.28 8.00 -1.17 -5.16 116.55 117.70 1j0q n ASP 83 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1j0q n ASP 83 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1j0q n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67