#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 -5.04 118.33 112.28 1j0q n VAL 4 Ca 0.00 -0.09 -0.02 0.00 -2.04 0.00 0.00 64.34 62.19 1j0q n VAL 4 Cb 0.00 -0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 31.44 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 -5.08 0.04 -1.53 7.34 3.00 -1.26 -5.13 118.16 115.54 1j0q n LYS 5 Ca 0.12 0.02 0.01 0.00 -0.00 0.00 0.00 58.31 58.46 1j0q n LYS 5 Cb 0.51 -0.57 -0.01 0.00 0.00 0.00 0.00 35.03 34.96 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 -3.26 -3.86 -3.70 5.64 4.02 -1.26 -4.95 117.16 109.78 1j0q n TYR 6 Ca -0.03 2.09 -0.11 0.00 -0.01 0.00 0.00 57.90 59.84 1j0q n TYR 6 Cb 0.35 -3.25 -0.12 0.00 -0.02 0.00 0.00 39.34 36.30 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1j0q s TYR 7 N -5.22 -0.49 0.44 -0.72 2.02 0.63 -4.75 117.35 109.26 1j0q s TYR 7 Ca 0.00 1.07 -0.15 0.00 -0.37 0.00 0.00 57.07 57.62 1j0q s TYR 7 Cb 0.00 0.14 -0.08 0.00 -0.40 0.00 0.00 41.96 41.62 1j0q s TYR 7 CO 0.00 -0.32 0.88 0.95 -1.57 0.00 0.00 175.55 175.49 1j0q s THR 8 N 1.62 4.62 0.28 -0.71 -4.23 -1.26 -0.36 115.64 115.59 1j0q s THR 8 Ca -0.07 1.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1j0q s THR 8 Cb -0.10 -3.69 0.26 0.00 1.34 0.00 0.00 72.50 70.31 1j0q s THR 8 CO -0.10 -0.52 1.77 0.25 -0.54 0.00 0.00 174.62 175.48 1j0q h LEU 9 N 1.34 0.65 -0.87 4.79 6.46 -1.94 0.15 115.31 125.89 1j0q h LEU 9 Ca -0.47 0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.45 1j0q h LEU 9 Cb 1.18 -0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.99 1j0q h LEU 9 CO 0.63 0.27 -0.51 1.21 -0.62 0.00 0.00 178.44 179.42 1j0q n GLU 10 N -4.81 -0.38 0.05 1.25 2.13 -1.26 -0.47 120.64 117.14 1j0q n GLU 10 Ca 0.19 1.39 -0.13 0.00 0.66 0.00 0.00 57.16 59.27 1j0q n GLU 10 Cb 0.46 -2.04 -0.08 0.00 0.27 0.00 0.00 31.44 30.05 1j0q n GLU 10 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1j0q h GLU 11 N 0.00 -0.07 -0.51 5.31 4.39 -1.53 -3.28 114.58 118.88 1j0q h GLU 11 Ca 0.14 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.92 1j0q h GLU 11 Cb 0.35 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 1j0q h GLU 11 CO -0.81 0.13 0.17 0.82 -1.16 0.00 0.00 179.01 178.16 1j0q h ILE 12 N -0.27 0.80 -0.82 3.13 2.04 0.42 0.15 117.51 122.96 1j0q h ILE 12 Ca -0.01 -0.12 0.20 0.00 1.00 0.00 0.00 64.86 65.93 1j0q h ILE 12 Cb 0.24 0.44 -0.15 0.00 -0.74 0.00 0.00 36.82 36.61 1j0q h ILE 12 CO 0.01 0.06 0.00 1.56 0.00 0.00 0.00 178.15 179.79 1j0q h GLN 13 N 0.34 0.08 0.16 2.37 4.20 -0.84 -2.91 115.11 118.50 1j0q h GLN 13 Ca 0.25 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.66 1j0q h GLN 13 Cb 0.28 -0.02 0.03 0.00 0.30 0.00 0.00 27.48 28.08 1j0q h GLN 13 CO -0.27 0.05 -1.23 -0.22 -0.67 0.00 0.00 178.83 176.49 1j0q h LYS 14 N 0.08 0.56 -5.39 1.46 1.63 -0.81 -3.33 116.57 110.77 1j0q h LYS 14 Ca 0.46 -0.81 -0.48 0.00 -0.85 0.00 0.00 60.65 58.97 1j0q h LYS 14 Cb 0.84 0.28 -0.04 0.00 -0.60 0.00 0.00 32.23 32.71 1j0q h LYS 14 CO -0.74 1.37 1.62 0.72 -3.45 0.00 0.00 179.45 178.97 1j0q n HIS 15 N -3.84 3.19 -2.14 1.91 8.25 -0.56 -4.38 115.22 117.66 1j0q n HIS 15 Ca -0.15 -1.95 0.03 0.00 -0.26 0.00 0.00 57.72 55.40 1j0q n HIS 15 Cb 0.99 -2.52 0.03 0.00 1.12 0.00 0.00 29.99 29.61 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 11.59 0.69 -0.57 0.41 6.94 -0.94 -0.35 115.26 133.04 1j0q n ASN 16 Ca 0.47 -2.18 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1j0q n ASN 16 Cb 0.45 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1j0q n ASN 16 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1j0q n ASN 17 N 0.07 0.00 -3.12 0.53 2.85 -0.32 -4.87 115.26 110.40 1j0q n ASN 17 Ca 0.05 -0.57 -0.29 0.00 -0.11 0.00 0.00 54.58 53.66 1j0q n ASN 17 Cb 0.90 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.88 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1j0q n SER 18 N -1.13 6.82 0.10 1.20 7.64 -1.26 -0.93 113.62 126.06 1j0q n SER 18 Ca 0.00 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1j0q n SER 18 Cb 0.00 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 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 3.71 0.00 0.00 1.43 4.76 -1.26 -5.15 118.16 121.65 1j0q n LYS 19 Ca 0.61 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1j0q n LYS 19 Cb 0.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1j0q n SER 20 N -2.98 0.00 -4.00 4.39 2.88 -0.10 -5.10 113.62 108.71 1j0q n SER 20 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1j0q n SER 20 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 -0.94 1.93 -0.03 2.46 2.01 -1.26 -1.17 115.64 118.64 1j0q s THR 21 Ca 0.00 -1.66 -0.01 0.00 0.31 0.00 0.00 61.69 60.33 1j0q s THR 21 Cb 0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1j0q s THR 21 CO 0.00 -0.21 0.07 0.26 -0.69 0.00 0.00 174.62 174.05 1j0q s TRP 22 N 1.17 3.29 0.05 4.92 0.52 0.53 -2.25 118.94 127.17 1j0q s TRP 22 Ca -0.03 0.23 -0.09 0.00 0.02 0.00 0.00 56.10 56.24 1j0q s TRP 22 Cb -0.19 -1.76 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1j0q s TRP 22 CO -0.07 0.55 0.18 -0.51 0.02 0.00 0.00 176.95 177.12 1j0q s LEU 23 N -1.52 1.45 -0.22 2.99 1.02 0.13 -0.04 118.68 122.49 1j0q s LEU 23 Ca 0.20 -0.45 -0.07 0.00 0.02 0.00 0.00 54.13 53.84 1j0q s LEU 23 Cb -0.12 0.91 -0.03 0.00 0.02 0.00 0.00 46.19 46.97 1j0q s LEU 23 CO 0.11 -0.58 0.07 -0.63 0.02 0.00 0.00 176.35 175.34 1j0q s ILE 24 N -2.80 4.48 -0.27 -0.59 1.01 -0.51 -0.73 121.20 121.79 1j0q s ILE 24 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1j0q s ILE 24 Cb 0.00 -3.06 0.08 0.00 0.01 0.00 0.00 42.46 39.48 1j0q s ILE 24 CO -0.05 0.38 0.02 -0.76 0.00 0.00 0.00 174.94 174.52 1j0q s LEU 25 N 1.15 2.65 -1.15 2.97 1.02 -0.50 -0.54 118.68 124.28 1j0q s LEU 25 Ca 0.04 -1.41 -0.05 0.00 0.02 0.00 0.00 54.13 52.73 1j0q s LEU 25 Cb -0.14 -1.09 0.01 0.00 0.02 0.00 0.00 46.19 44.98 1j0q s LEU 25 CO 0.03 -0.32 0.99 1.41 0.02 0.00 0.00 176.35 178.48 1j0q n HIS 26 N 4.70 -2.32 0.00 0.29 8.25 -1.26 -3.07 115.22 121.82 1j0q n HIS 26 Ca -0.06 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 1j0q n HIS 26 Cb 0.44 -4.65 0.00 0.00 1.12 0.00 0.00 29.99 26.89 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 -4.35 0.00 -1.41 4.41 4.01 -1.26 -4.94 117.16 113.61 1j0q n TYR 27 Ca -0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.30 1j0q n TYR 27 Cb 0.59 -0.20 0.09 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.00 2.14 -0.03 -0.72 -0.14 -1.17 -0.48 119.74 119.33 1j0q s LYS 28 Ca 0.00 1.69 0.06 0.00 -1.36 0.00 0.00 55.97 56.36 1j0q s LYS 28 Cb 0.00 -1.84 -0.02 0.00 -1.68 0.00 0.00 37.83 34.29 1j0q s LYS 28 CO 0.00 -1.82 -0.20 0.08 -0.76 0.00 0.00 175.35 172.64 1j0q s VAL 29 N -2.09 2.54 -0.06 3.17 1.01 -0.07 -1.41 120.40 123.49 1j0q s VAL 29 Ca 0.73 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1j0q s VAL 29 Cb -0.28 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1j0q s VAL 29 CO 0.46 0.58 -0.09 -0.31 0.00 0.00 0.00 175.10 175.74 1j0q s TYR 30 N -0.68 1.16 -0.05 5.22 1.51 0.09 -1.20 117.35 123.40 1j0q s TYR 30 Ca 0.11 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1j0q s TYR 30 Cb -0.10 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 1j0q s TYR 30 CO -0.00 -0.24 -0.02 0.34 -1.11 0.00 0.00 175.55 174.52 1j0q s ASP 31 N 0.77 5.00 -0.35 2.29 -1.08 -1.01 -0.69 116.67 121.59 1j0q s ASP 31 Ca -0.13 0.04 0.15 0.00 -0.52 0.00 0.00 52.55 52.08 1j0q s ASP 31 Cb -0.15 -1.32 0.42 0.00 -1.46 0.00 0.00 42.92 40.41 1j0q s ASP 31 CO 0.02 0.34 1.04 0.00 0.52 0.00 0.00 175.17 177.10 1j0q n LEU 32 N 1.93 0.34 -0.34 -1.34 -0.00 -0.95 -4.76 117.00 111.87 1j0q n LEU 32 Ca -0.17 -3.78 0.14 0.00 -0.00 0.00 0.00 56.01 52.20 1j0q n LEU 32 Cb 0.53 0.38 0.28 0.00 -0.00 0.00 0.00 43.42 44.61 1j0q n LEU 32 CO 0.29 1.75 0.79 0.71 -0.00 0.00 0.00 177.39 180.94 1j0q h THR 33 N 2.54 0.02 -0.13 1.47 1.35 -1.97 0.10 112.91 116.29 1j0q h THR 33 Ca -0.13 -0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.65 1j0q h THR 33 Cb 1.19 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1j0q h THR 33 CO 0.34 0.00 -0.22 0.50 -0.25 0.00 0.00 175.52 175.88 1j0q h LYS 34 N 0.01 0.38 0.00 4.72 3.64 -1.98 -3.31 116.57 120.03 1j0q h LYS 34 Ca 0.59 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1j0q h LYS 34 Cb 1.21 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1j0q h LYS 34 CO -0.93 0.83 -0.36 0.35 -2.27 0.00 0.00 179.45 177.07 1j0q h PHE 35 N -0.03 0.00 -0.41 1.91 3.57 -1.29 -0.20 116.94 120.50 1j0q h PHE 35 Ca 0.01 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1j0q h PHE 35 Cb 0.80 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 1j0q h PHE 35 CO 0.10 0.36 -0.12 1.28 -2.23 0.00 0.00 178.31 177.70 1j0q n LEU 36 N -3.69 -0.18 0.02 0.59 4.77 -0.07 0.38 117.00 118.82 1j0q n LEU 36 Ca -0.01 0.71 -0.12 0.00 -0.03 0.00 0.00 56.01 56.56 1j0q n LEU 36 Cb 0.46 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1j0q n LEU 36 CO 0.37 -0.66 0.49 -0.33 -1.33 0.00 0.00 177.39 175.92 1j0q h GLU 37 N 0.00 -0.13 0.00 3.23 4.39 -1.23 -3.12 114.58 117.72 1j0q h GLU 37 Ca 0.18 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1j0q h GLU 37 Cb 0.28 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1j0q h GLU 37 CO -0.42 0.37 0.00 1.49 -1.16 0.00 0.00 179.01 179.30 1j0q h GLU 38 N -0.74 0.00 -6.20 2.33 4.81 -0.75 -3.46 114.58 110.58 1j0q h GLU 38 Ca -0.01 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.65 1j0q h GLU 38 Cb 0.56 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1j0q h GLU 38 CO 0.02 0.00 0.76 -1.58 -0.73 0.00 0.00 179.01 177.48 1j0q s HIS 39 N -3.45 3.20 0.33 0.92 2.46 0.16 -4.95 115.29 113.95 1j0q s HIS 39 Ca 0.04 1.30 0.09 0.00 0.47 0.00 0.00 55.06 56.96 1j0q s HIS 39 Cb 0.09 -3.36 0.85 0.00 -0.13 0.00 0.00 32.58 30.02 1j0q s HIS 39 CO 0.54 -0.98 1.77 -1.35 -2.47 0.00 0.00 174.74 172.24 1j0q h PRO 40 N 7.59 0.63 0.00 2.88 0.11 -1.89 0.11 132.00 141.43 1j0q h PRO 40 Ca -0.27 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1j0q h PRO 40 Cb 1.12 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1j0q h PRO 40 CO 0.93 0.42 -0.04 0.78 -0.21 0.00 0.00 178.00 179.87 1j0q h GLY 41 N 0.65 0.00 0.00 -0.55 0.00 -1.96 -3.49 103.07 97.71 1j0q h GLY 41 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1j0q h GLY 41 CO -0.39 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.76 1j0q n GLY 42 N -0.86 -0.68 0.05 4.60 0.00 0.39 -4.68 105.19 104.01 1j0q n GLY 42 Ca -0.02 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.23 1.61 4.22 -1.83 -3.34 114.58 115.01 1j0q h GLU 43 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 1j0q h GLU 43 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1j0q h GLU 43 CO 0.00 0.00 -0.14 0.39 -2.18 0.00 0.00 179.01 177.08 1j0q n GLU 44 N -4.16 -0.10 -0.14 1.92 1.02 -1.26 0.13 120.64 118.05 1j0q n GLU 44 Ca -0.02 0.57 -0.01 0.00 -0.02 0.00 0.00 57.16 57.67 1j0q n GLU 44 Cb 0.09 -0.84 0.23 0.00 -0.02 0.00 0.00 31.44 30.90 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1j0q h VAL 45 N 0.00 1.21 -0.66 2.62 3.04 -1.83 0.14 116.25 120.77 1j0q h VAL 45 Ca 0.04 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1j0q h VAL 45 Cb 0.09 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 29.87 1j0q h VAL 45 CO -0.22 0.26 0.42 -0.07 -1.01 0.00 0.00 177.57 176.95 1j0q h LEU 46 N 0.82 0.77 -0.26 3.16 3.38 -0.44 -1.99 115.31 120.75 1j0q h LEU 46 Ca 0.20 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 1j0q h LEU 46 Cb 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1j0q h LEU 46 CO -0.02 0.57 -0.54 0.03 0.09 0.00 0.00 178.44 178.57 1j0q h ARG 47 N 0.89 0.83 -0.67 1.13 3.08 0.68 0.64 114.38 120.97 1j0q h ARG 47 Ca 0.24 -0.54 0.14 0.00 0.07 0.00 0.00 59.98 59.89 1j0q h ARG 47 Cb -0.08 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 29.93 1j0q h ARG 47 CO -0.05 1.17 0.01 1.49 -1.07 0.00 0.00 179.97 181.53 1j0q h GLU 48 N 0.60 0.12 0.00 0.04 4.57 -0.75 -1.95 114.58 117.20 1j0q h GLU 48 Ca 0.01 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1j0q h GLU 48 Cb 1.15 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1j0q h GLU 48 CO 0.12 0.08 -0.67 0.37 -1.18 0.00 0.00 179.01 177.72 1j0q h GLN 49 N 0.12 0.00 -7.29 1.92 5.75 -0.90 -3.47 115.11 111.24 1j0q h GLN 49 Ca 0.36 0.00 -0.44 0.00 -0.15 0.00 0.00 58.65 58.42 1j0q h GLN 49 Cb 0.60 0.00 0.18 0.00 1.07 0.00 0.00 27.48 29.33 1j0q h GLN 49 CO -0.57 0.57 0.11 0.00 -2.65 0.00 0.00 178.83 176.29 1j0q s ALA 50 N -2.91 0.37 -1.46 3.38 0.00 0.22 -3.58 121.76 117.77 1j0q s ALA 50 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1j0q s ALA 50 Cb 0.08 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1j0q s ALA 50 CO 0.76 -3.36 0.22 0.41 0.00 0.00 0.00 175.76 173.79 1j0q n GLY 51 N -0.44 -0.25 0.00 0.00 0.00 0.94 -4.89 105.19 100.55 1j0q n GLY 51 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.32 -1.25 3.76 -0.02 0.00 -1.24 -4.17 105.19 99.96 1j0q n GLY 52 Ca -0.30 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.55 6.05 -0.01 1.61 2.15 -1.26 -1.42 116.67 122.24 1j0q s ASP 53 Ca 0.00 2.68 0.11 0.00 0.43 0.00 0.00 52.55 55.77 1j0q s ASP 53 Cb 0.00 -2.64 0.18 0.00 -0.30 0.00 0.00 42.92 40.17 1j0q s ASP 53 CO 0.00 -1.03 1.08 0.00 -0.17 0.00 0.00 175.17 175.04 1j0q n ALA 54 N -0.19 2.20 0.45 3.66 0.00 0.30 -4.78 120.51 122.16 1j0q n ALA 54 Ca 0.05 -1.65 -0.19 0.00 0.00 0.00 0.00 53.44 51.65 1j0q n ALA 54 Cb 0.44 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 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 6.39 0.00 0.32 0.00 2.02 -1.87 0.38 112.91 120.15 1j0q h THR 55 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1j0q h THR 55 Cb 1.54 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1j0q h THR 55 CO 0.04 0.00 -0.40 -0.33 0.37 0.00 0.00 175.52 175.20 1j0q h GLU 56 N -1.19 -0.74 -0.66 6.66 5.08 -1.94 -1.86 114.58 119.93 1j0q h GLU 56 Ca -0.12 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1j0q h GLU 56 Cb 0.93 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 1j0q h GLU 56 CO 0.16 -0.49 -0.33 -0.97 -1.00 0.00 0.00 179.01 176.38 1j0q h ASN 57 N -0.77 -1.15 0.24 1.42 -0.73 -1.93 0.20 115.58 112.86 1j0q h ASN 57 Ca -0.02 0.24 0.01 0.00 1.87 0.00 0.00 56.30 58.40 1j0q h ASN 57 Cb 0.71 0.59 -0.04 0.00 0.27 0.00 0.00 38.32 39.85 1j0q h ASN 57 CO -0.11 -0.30 -0.42 0.15 -0.37 0.00 0.00 177.43 176.38 1j0q h PHE 58 N -0.13 -1.18 0.22 0.67 3.57 -0.66 -1.41 116.94 118.03 1j0q h PHE 58 Ca 0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1j0q h PHE 58 Cb 0.56 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1j0q h PHE 58 CO -0.66 -0.54 -0.10 1.49 -2.23 0.00 0.00 178.31 176.26 1j0q h GLU 59 N -0.74 -0.28 -0.81 1.11 4.57 -0.45 -3.12 114.58 114.86 1j0q h GLU 59 Ca -0.00 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.30 1j0q h GLU 59 Cb 0.72 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 29.25 1j0q h GLU 59 CO -0.17 0.02 -0.37 -3.47 -1.18 0.00 0.00 179.01 173.84 1j0q n ASP 60 N -5.09 -0.63 0.00 1.04 2.03 0.59 -0.36 116.55 114.13 1j0q n ASP 60 Ca -0.09 1.42 0.04 0.00 0.52 0.00 0.00 54.79 56.68 1j0q n ASP 60 Cb 0.23 -0.28 0.24 0.00 -0.72 0.00 0.00 41.12 40.59 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 -5.13 0.00 -3.09 -0.67 8.25 -0.53 -4.84 115.22 109.20 1j0q n HIS 61 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1j0q n HIS 61 Cb 0.29 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.50 0.13 3.71 -1.41 0.00 0.51 -4.95 105.19 102.69 1j0q n GLY 62 Ca 0.05 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.85 2.64 -0.83 1.61 8.25 -1.25 -4.94 115.22 116.85 1j0q n HIS 63 Ca 0.00 0.13 -0.30 0.00 -0.26 0.00 0.00 57.72 57.29 1j0q n HIS 63 Cb 0.53 -2.63 0.17 0.00 1.12 0.00 0.00 29.99 29.18 1j0q n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1j0q s SER 64 N 1.00 2.88 0.11 0.41 0.01 -1.26 -4.67 113.70 112.18 1j0q s SER 64 Ca 0.74 1.91 -0.22 0.00 1.31 0.00 0.00 55.95 59.70 1j0q s SER 64 Cb -0.55 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.17 1j0q s SER 64 CO 0.36 -3.08 1.38 0.71 0.41 0.00 0.00 173.24 173.02 1j0q h THR 65 N -1.85 0.00 -0.43 1.44 1.35 -1.99 0.10 112.91 111.52 1j0q h THR 65 Ca -0.47 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.42 1j0q h THR 65 Cb 1.28 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 1j0q h THR 65 CO 0.47 0.00 0.29 0.44 -0.25 0.00 0.00 175.52 176.46 1j0q h ASP 66 N -0.01 0.40 -0.45 5.36 5.19 -1.98 0.27 116.42 125.20 1j0q h ASP 66 Ca 0.11 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1j0q h ASP 66 Cb 0.29 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1j0q h ASP 66 CO -0.65 0.28 0.13 0.00 -3.12 0.00 0.00 179.24 175.87 1j0q h ALA 67 N 1.75 0.59 0.33 3.45 0.00 -1.51 0.67 119.26 124.55 1j0q h ALA 67 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1j0q h ALA 67 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1j0q h ALA 67 CO -0.04 0.26 -0.16 -0.09 0.00 0.00 0.00 179.25 179.21 1j0q h ARG 68 N 0.59 -0.43 -0.77 0.00 2.43 0.12 0.20 114.38 116.52 1j0q h ARG 68 Ca 0.14 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.48 1j0q h ARG 68 Cb 0.29 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 29.80 1j0q h ARG 68 CO -0.00 -0.27 -0.30 0.93 -1.51 0.00 0.00 179.97 178.82 1j0q h GLU 69 N -0.48 -0.06 -0.62 0.20 4.39 -0.62 -0.09 114.58 117.29 1j0q h GLU 69 Ca -0.05 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.78 1j0q h GLU 69 Cb 0.37 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.94 1j0q h GLU 69 CO 0.08 -0.04 0.10 -0.07 -1.16 0.00 0.00 179.01 177.91 1j0q h LEU 70 N -0.07 -0.08 -0.70 1.33 -0.00 -0.14 -0.07 115.31 115.59 1j0q h LEU 70 Ca 0.32 0.13 0.13 0.00 -0.00 0.00 0.00 57.88 58.46 1j0q h LEU 70 Cb 0.58 0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 41.34 1j0q h LEU 70 CO -0.81 -0.04 0.23 0.28 -0.00 0.00 0.00 178.44 178.10 1j0q h SER 71 N 0.22 0.16 -0.03 -0.43 0.02 0.90 0.27 113.55 114.66 1j0q h SER 71 Ca 0.33 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.43 1j0q h SER 71 Cb 0.52 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1j0q h SER 71 CO -0.46 0.06 -0.26 0.11 -1.14 0.00 0.00 176.83 175.14 1j0q h LYS 72 N 0.37 -0.37 0.00 3.45 1.57 -0.35 -0.65 116.57 120.58 1j0q h LYS 72 Ca 0.38 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1j0q h LYS 72 Cb 0.57 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1j0q h LYS 72 CO -0.41 -0.25 0.00 0.00 -0.57 0.00 0.00 179.45 178.22 1j0q h THR 73 N -0.39 0.00 0.00 -0.16 1.03 -0.86 -1.44 112.91 111.09 1j0q h THR 73 Ca 0.07 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1j0q h THR 73 Cb 0.49 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1j0q h THR 73 CO -0.25 0.00 -0.15 0.49 -0.01 0.00 0.00 175.52 175.60 1j0q n PHE 74 N -2.91 0.14 -1.66 0.00 3.72 -0.02 -4.89 117.46 111.84 1j0q n PHE 74 Ca 0.00 0.04 -0.47 0.00 -0.05 0.00 0.00 57.45 56.97 1j0q n PHE 74 Cb 0.24 -0.50 -0.05 0.00 -0.94 0.00 0.00 39.48 38.24 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 -1.62 0.09 0.00 4.37 5.41 -0.55 -2.39 119.36 124.67 1j0q n ILE 75 Ca 0.06 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1j0q n ILE 75 Cb 0.35 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 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 3.56 0.00 -0.61 1.39 -5.35 -0.34 -4.93 119.36 113.08 1j0q n ILE 76 Ca 0.18 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1j0q n ILE 76 Cb 0.27 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 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 1.08 -1.41 3.13 3.28 0.00 -1.20 -4.91 105.19 105.17 1j0q n GLY 77 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.69 0.66 -0.36 1.61 8.01 -1.26 -0.89 118.70 124.78 1j0q s GLU 78 Ca 0.00 -0.91 -0.29 0.00 0.01 0.00 0.00 54.97 53.79 1j0q s GLU 78 Cb 0.00 0.26 -0.01 0.00 -4.31 0.00 0.00 34.13 30.07 1j0q s GLU 78 CO 0.00 -0.17 1.58 -1.17 0.01 0.00 0.00 175.26 175.51 1j0q s LEU 79 N -2.49 3.59 0.02 1.80 2.96 0.37 -0.27 118.68 124.65 1j0q s LEU 79 Ca 0.00 1.11 -0.32 0.00 -0.22 0.00 0.00 54.13 54.70 1j0q s LEU 79 Cb 0.02 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.07 1j0q s LEU 79 CO -0.07 -1.52 1.88 1.57 -1.32 0.00 0.00 176.35 176.89 1j0q n HIS 80 N 9.33 2.45 1.72 5.38 -0.00 0.51 -4.79 115.22 129.82 1j0q n HIS 80 Ca 0.19 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1j0q n HIS 80 Cb 0.47 -2.71 0.00 0.00 -0.00 0.00 0.00 29.99 27.75 1j0q n HIS 80 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1j0q n PRO 81 N 6.44 0.92 0.20 1.57 -0.02 -1.26 -1.01 135.00 141.85 1j0q n PRO 81 Ca 0.20 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 1j0q n PRO 81 Cb 0.35 -1.06 0.65 0.00 -0.02 0.00 0.00 33.50 33.41 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 0.01 0.00 0.00 2.55 3.58 -2.00 -3.42 116.42 117.14 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 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 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 -2.59 0.00 0.00 2.28 -0.08 -0.18 -5.19 116.55 110.80 1j0q n ASP 83 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1j0q n ASP 83 Cb 0.20 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.66 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86