#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqx s VAL 4 N 0.00 0.00 -0.19 0.00 0.11 -1.26 -5.14 120.40 113.93 1lqx s VAL 4 Ca 0.00 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.99 1lqx s VAL 4 Cb 0.00 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.75 1lqx s VAL 4 CO 0.00 0.03 0.19 -0.75 -3.33 0.00 0.00 175.10 171.24 1lqx s LYS 5 N 0.33 4.21 -0.12 1.54 2.20 -1.26 -5.01 119.74 121.63 1lqx s LYS 5 Ca -0.03 -0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.47 1lqx s LYS 5 Cb -0.04 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1lqx s LYS 5 CO -0.01 0.28 -0.08 0.71 -0.36 0.00 0.00 175.35 175.89 1lqx s TYR 6 N 0.40 2.92 0.07 4.03 2.02 -1.26 -0.99 117.35 124.53 1lqx s TYR 6 Ca 0.11 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1lqx s TYR 6 Cb -0.12 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1lqx s TYR 6 CO 0.00 0.02 -0.17 0.71 -1.57 0.00 0.00 175.55 174.54 1lqx s TYR 7 N -0.00 2.59 0.41 2.71 1.51 -0.03 -4.79 117.35 119.75 1lqx s TYR 7 Ca -0.01 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1lqx s TYR 7 Cb -0.14 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1lqx s TYR 7 CO 0.03 0.32 0.65 0.95 -1.11 0.00 0.00 175.55 176.39 1lqx s THR 8 N -1.02 4.72 0.35 -0.71 -4.23 -1.26 -0.27 115.64 113.22 1lqx s THR 8 Ca 0.16 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.40 1lqx s THR 8 Cb -0.11 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 70.26 1lqx s THR 8 CO 0.08 -0.56 1.99 -0.07 -0.54 0.00 0.00 174.62 175.52 1lqx h LEU 9 N 0.51 0.72 -0.78 4.79 3.38 -1.95 -1.62 115.31 120.35 1lqx h LEU 9 Ca -0.48 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.50 1lqx h LEU 9 Cb 1.23 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1lqx h LEU 9 CO 0.60 0.50 0.50 -0.08 0.09 0.00 0.00 178.44 180.06 1lqx h GLU 10 N 0.84 0.97 0.01 1.13 4.81 -1.96 -1.66 114.58 118.72 1lqx h GLU 10 Ca 0.26 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.22 1lqx h GLU 10 Cb 0.01 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1lqx h GLU 10 CO -0.07 0.64 -1.01 1.05 -0.73 0.00 0.00 179.01 178.89 1lqx h GLU 11 N 1.00 0.03 -0.39 1.92 4.11 -1.82 -3.29 114.58 116.14 1lqx h GLU 11 Ca 0.30 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.58 1lqx h GLU 11 Cb -0.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1lqx h GLU 11 CO -0.09 1.01 -0.17 0.82 0.07 0.00 0.00 179.01 180.65 1lqx h ILE 12 N 0.01 1.26 0.00 -1.06 2.04 -1.02 -2.93 117.51 115.82 1lqx h ILE 12 Ca -0.02 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 1lqx h ILE 12 Cb 1.77 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1lqx h ILE 12 CO 0.14 0.42 -0.01 0.06 0.00 0.00 0.00 178.15 178.75 1lqx h GLN 13 N 0.65 0.00 0.00 2.37 3.07 -1.33 -1.88 115.11 117.99 1lqx h GLN 13 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1lqx h GLN 13 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 1lqx h GLN 13 CO 0.05 0.01 0.00 0.87 0.09 0.00 0.00 178.83 179.85 1lqx h LYS 14 N 0.00 0.00 -3.24 0.06 1.57 -1.65 -3.37 116.57 109.95 1lqx h LYS 14 Ca -0.00 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 57.99 1lqx h LYS 14 Cb 0.19 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.27 1lqx h LYS 14 CO 0.00 0.00 1.25 0.72 -0.57 0.00 0.00 179.45 180.85 1lqx n HIS 15 N -2.74 2.77 -2.75 -1.35 8.25 -0.71 -4.59 115.22 114.10 1lqx n HIS 15 Ca 0.02 -2.76 -0.10 0.00 -0.26 0.00 0.00 57.72 54.63 1lqx n HIS 15 Cb 0.33 -1.57 0.05 0.00 1.12 0.00 0.00 29.99 29.91 1lqx n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1lqx n ASN 16 N 2.50 0.15 -1.99 0.41 6.94 -1.08 -1.67 115.26 120.53 1lqx n ASN 16 Ca 0.31 -2.75 -0.07 0.00 -0.02 0.00 0.00 54.58 52.06 1lqx n ASN 16 Cb 0.35 0.07 -0.02 0.00 -2.36 0.00 0.00 39.78 37.82 1lqx n ASN 16 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1lqx n ASN 17 N -0.14 0.60 0.31 0.53 0.23 -0.90 -5.02 115.26 110.87 1lqx n ASN 17 Ca 0.08 -1.63 0.20 0.00 -0.53 0.00 0.00 54.58 52.70 1lqx n ASN 17 Cb 0.80 0.36 1.00 0.00 -2.08 0.00 0.00 39.78 39.86 1lqx n ASN 17 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1lqx h SER 18 N 0.51 0.00 0.00 0.53 4.64 -2.00 -3.08 113.55 114.16 1lqx h SER 18 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1lqx h SER 18 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1lqx h SER 18 CO 0.13 0.00 -0.77 2.29 -0.87 0.00 0.00 176.83 177.61 1lqx n LYS 19 N -3.10 1.91 -3.68 4.77 2.85 -1.26 -4.96 118.16 114.68 1lqx n LYS 19 Ca -0.02 -0.01 -0.10 0.00 -1.05 0.00 0.00 58.31 57.14 1lqx n LYS 19 Cb 0.17 -1.22 -0.11 0.00 -0.65 0.00 0.00 35.03 33.22 1lqx n LYS 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1lqx s SER 20 N -2.51 -0.39 -0.21 -5.58 0.15 -1.16 -4.99 113.70 99.01 1lqx s SER 20 Ca 0.05 0.90 -0.00 0.00 0.70 0.00 0.00 55.95 57.60 1lqx s SER 20 Cb 0.11 0.93 0.06 0.00 -1.71 0.00 0.00 66.02 65.41 1lqx s SER 20 CO 0.62 -0.21 -0.04 -0.89 1.20 0.00 0.00 173.24 173.93 1lqx s THR 21 N 1.80 1.24 0.19 6.45 2.01 -1.26 -2.12 115.64 123.96 1lqx s THR 21 Ca -0.07 -0.95 0.11 0.00 0.31 0.00 0.00 61.69 61.09 1lqx s THR 21 Cb -0.10 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1lqx s THR 21 CO -0.12 -0.06 -0.22 0.26 -0.69 0.00 0.00 174.62 173.78 1lqx s TRP 22 N 1.54 2.34 0.18 4.92 0.52 -0.67 -0.90 118.94 126.88 1lqx s TRP 22 Ca -0.03 -0.34 -0.19 0.00 0.02 0.00 0.00 56.10 55.55 1lqx s TRP 22 Cb -0.18 -1.16 0.04 0.00 -1.15 0.00 0.00 33.47 31.03 1lqx s TRP 22 CO -0.07 0.51 0.55 -0.48 0.02 0.00 0.00 176.95 177.47 1lqx s LEU 23 N -2.70 -0.11 -0.11 2.99 0.05 -0.79 0.30 118.68 118.31 1lqx s LEU 23 Ca 0.21 -0.31 -0.02 0.00 0.05 0.00 0.00 54.13 54.06 1lqx s LEU 23 Cb -0.08 2.29 -0.03 0.00 -2.05 0.00 0.00 46.19 46.32 1lqx s LEU 23 CO 0.11 -1.02 -0.02 -0.63 -0.55 0.00 0.00 176.35 174.24 1lqx s ILE 24 N -3.83 4.12 -0.09 1.48 1.01 0.39 -1.10 121.20 123.18 1lqx s ILE 24 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 1lqx s ILE 24 Cb -0.01 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.75 1lqx s ILE 24 CO -0.07 0.56 0.05 -0.76 0.00 0.00 0.00 174.94 174.72 1lqx s LEU 25 N -0.42 0.40 -1.38 2.97 1.43 -0.35 -0.91 118.68 120.42 1lqx s LEU 25 Ca 0.07 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1lqx s LEU 25 Cb -0.12 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 45.84 1lqx s LEU 25 CO 0.02 -0.26 0.72 1.41 0.23 0.00 0.00 176.35 178.47 1lqx n HIS 26 N 5.23 -1.95 -1.04 0.29 8.25 -1.26 -1.52 115.22 123.22 1lqx n HIS 26 Ca -0.05 0.84 -0.01 0.00 -0.26 0.00 0.00 57.72 58.23 1lqx n HIS 26 Cb 0.50 -4.17 -0.01 0.00 1.12 0.00 0.00 29.99 27.43 1lqx n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1lqx n TYR 27 N -4.39 0.00 -4.38 4.41 4.01 -1.26 -4.99 117.16 110.56 1lqx n TYR 27 Ca -0.22 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.20 1lqx n TYR 27 Cb 0.64 -1.51 -0.10 0.00 -0.31 0.00 0.00 39.34 38.06 1lqx n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1lqx s LYS 28 N -1.58 2.52 -0.20 -0.72 1.02 -0.58 -1.11 119.74 119.10 1lqx s LYS 28 Ca 0.00 -0.76 -0.09 0.00 0.02 0.00 0.00 55.97 55.14 1lqx s LYS 28 Cb 0.00 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 1lqx s LYS 28 CO 0.00 0.59 0.11 0.08 -0.92 0.00 0.00 175.35 175.21 1lqx s VAL 29 N -1.07 5.18 -0.06 3.17 1.01 0.32 -1.21 120.40 127.74 1lqx s VAL 29 Ca 0.19 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1lqx s VAL 29 Cb -0.11 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1lqx s VAL 29 CO 0.10 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.12 1lqx s TYR 30 N 0.47 2.55 -0.47 5.22 1.51 -0.26 -1.00 117.35 125.38 1lqx s TYR 30 Ca 0.06 -0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 55.50 1lqx s TYR 30 Cb -0.12 -1.63 0.09 0.00 -0.11 0.00 0.00 41.96 40.20 1lqx s TYR 30 CO -0.00 -0.06 0.37 0.34 -1.11 0.00 0.00 175.55 175.08 1lqx s ASP 31 N -0.34 5.95 -0.10 2.29 -1.08 -0.54 -1.88 116.67 120.97 1lqx s ASP 31 Ca 0.02 -1.53 0.18 0.00 -0.52 0.00 0.00 52.55 50.70 1lqx s ASP 31 Cb -0.12 -2.11 0.69 0.00 -1.46 0.00 0.00 42.92 39.92 1lqx s ASP 31 CO 0.02 -0.66 1.60 0.18 0.52 0.00 0.00 175.17 176.84 1lqx n LEU 32 N 5.09 4.60 -0.26 -1.34 4.77 -0.08 -4.68 117.00 125.10 1lqx n LEU 32 Ca -0.11 -2.41 0.03 0.00 -0.03 0.00 0.00 56.01 53.49 1lqx n LEU 32 Cb 0.42 -0.56 0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1lqx n LEU 32 CO 0.46 0.83 0.73 0.74 -1.33 0.00 0.00 177.39 178.81 1lqx h THR 33 N 3.96 0.25 -0.00 -5.08 2.02 -1.89 -0.48 112.91 111.69 1lqx h THR 33 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1lqx h THR 33 Cb 1.38 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1lqx h THR 33 CO 0.20 0.00 -0.23 0.29 0.37 0.00 0.00 175.52 176.16 1lqx n LYS 34 N -5.47 0.36 0.06 6.66 5.02 -1.26 -3.82 118.16 119.70 1lqx n LYS 34 Ca 0.11 -0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.37 1lqx n LYS 34 Cb 0.41 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1lqx n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1lqx n PHE 35 N -1.19 0.54 -0.28 2.13 -0.00 -0.24 -4.50 117.46 113.92 1lqx n PHE 35 Ca 0.10 0.16 0.04 0.00 -0.00 0.00 0.00 57.45 57.75 1lqx n PHE 35 Cb 0.32 -0.70 0.14 0.00 -0.00 0.00 0.00 39.48 39.23 1lqx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1lqx h LEU 36 N 0.00 -0.59 -0.01 -2.13 3.38 -1.53 0.18 115.31 114.61 1lqx h LEU 36 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1lqx h LEU 36 Cb 0.91 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1lqx h LEU 36 CO 0.00 -0.25 0.00 -0.62 0.09 0.00 0.00 178.44 177.66 1lqx n GLU 37 N -5.46 0.03 -0.01 1.13 1.02 -1.26 -3.51 120.64 112.58 1lqx n GLU 37 Ca 0.13 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 1lqx n GLU 37 Cb 0.46 -1.54 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 1lqx n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1lqx n GLU 38 N -1.60 0.57 -1.64 3.49 -0.58 -0.07 -4.96 120.64 115.86 1lqx n GLU 38 Ca 0.06 -0.17 -0.45 0.00 -0.42 0.00 0.00 57.16 56.19 1lqx n GLU 38 Cb 0.33 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 1lqx n GLU 38 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1lqx n HIS 39 N -2.14 2.26 -0.09 -0.32 -0.00 -0.51 -4.86 115.22 109.57 1lqx n HIS 39 Ca -0.03 -0.16 0.19 0.00 0.46 0.00 0.00 57.72 58.18 1lqx n HIS 39 Cb 0.53 -2.73 0.61 0.00 -0.12 0.00 0.00 29.99 28.28 1lqx n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1lqx h PRO 40 N 11.44 0.17 -0.09 1.57 0.11 -1.92 -0.49 132.00 142.79 1lqx h PRO 40 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1lqx h PRO 40 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1lqx h PRO 40 CO 0.95 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.27 1lqx n GLY 41 N -1.60 -0.51 0.00 -0.55 0.00 -1.26 -5.02 105.19 96.25 1lqx n GLY 41 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1lqx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqx n GLY 42 N 0.78 0.19 0.08 -0.02 0.00 -0.19 -4.63 105.19 101.40 1lqx n GLY 42 Ca 0.09 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.42 1lqx n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1lqx n GLU 43 N 0.35 0.63 -0.03 1.61 0.28 -1.26 -4.24 120.64 117.99 1lqx n GLU 43 Ca 0.00 0.02 -0.03 0.00 -0.16 0.00 0.00 57.16 57.00 1lqx n GLU 43 Cb 0.00 -1.72 0.22 0.00 1.43 0.00 0.00 31.44 31.37 1lqx n GLU 43 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1lqx h GLU 44 N 0.00 0.59 -0.47 3.44 4.39 -1.92 -0.90 114.58 119.72 1lqx h GLU 44 Ca -0.04 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 1lqx h GLU 44 Cb 1.10 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1lqx h GLU 44 CO 0.01 0.69 0.11 0.93 -1.16 0.00 0.00 179.01 179.58 1lqx h GLU 45 N 0.54 0.70 0.07 2.33 4.39 -1.82 -2.21 114.58 118.58 1lqx h GLU 45 Ca 0.10 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 1lqx h GLU 45 Cb 0.50 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1lqx h GLU 45 CO 0.03 0.64 -0.60 -0.07 -1.16 0.00 0.00 179.01 177.84 1lqx h LEU 46 N 0.68 0.41 -0.91 1.33 3.38 -1.66 -3.30 115.31 115.24 1lqx h LEU 46 Ca 0.15 -0.88 0.02 0.00 0.09 0.00 0.00 57.88 57.27 1lqx h LEU 46 Cb 0.26 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1lqx h LEU 46 CO -0.00 1.25 0.60 0.03 0.09 0.00 0.00 178.44 180.40 1lqx h ARG 47 N -0.37 1.15 0.00 1.13 3.08 -1.11 -1.59 114.38 116.68 1lqx h ARG 47 Ca -0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1lqx h ARG 47 Cb 1.40 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1lqx h ARG 47 CO 0.11 0.76 -0.06 0.93 -1.07 0.00 0.00 179.97 180.65 1lqx h GLU 48 N 1.19 0.00 -0.01 0.04 5.08 -1.52 -2.43 114.58 116.93 1lqx h GLU 48 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1lqx h GLU 48 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1lqx h GLU 48 CO -0.10 0.06 -0.67 1.04 -1.00 0.00 0.00 179.01 178.35 1lqx n GLN 49 N -4.11 0.68 -1.63 2.33 1.13 -0.84 -5.00 117.38 109.95 1lqx n GLN 49 Ca -0.03 -0.55 -0.45 0.00 -1.94 0.00 0.00 57.00 54.03 1lqx n GLN 49 Cb 0.15 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 1lqx n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lqx n ALA 50 N -0.68 0.26 -0.48 -1.58 0.00 -0.66 -2.27 120.51 115.10 1lqx n ALA 50 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1lqx n ALA 50 Cb 0.40 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1lqx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqx n GLY 51 N 1.39 1.06 0.00 0.00 0.00 0.15 -4.83 105.19 102.96 1lqx n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1lqx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqx n GLY 52 N -2.00 4.38 3.63 -0.02 0.00 -0.96 -3.43 105.19 106.78 1lqx n GLY 52 Ca 0.00 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1lqx n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lqx s ASP 53 N -0.07 6.58 -0.17 1.61 3.68 -1.26 -0.46 116.67 126.58 1lqx s ASP 53 Ca 0.00 0.71 0.17 0.00 2.13 0.00 0.00 52.55 55.56 1lqx s ASP 53 Cb 0.00 -2.34 0.41 0.00 -1.45 0.00 0.00 42.92 39.55 1lqx s ASP 53 CO 0.00 -0.37 1.29 0.00 0.13 0.00 0.00 175.17 176.22 1lqx n ALA 54 N 5.72 2.78 -0.10 3.66 0.00 -0.09 -4.79 120.51 127.69 1lqx n ALA 54 Ca -0.01 -2.56 -0.06 0.00 0.00 0.00 0.00 53.44 50.81 1lqx n ALA 54 Cb 0.49 -0.55 0.01 0.00 0.00 0.00 0.00 19.45 19.40 1lqx n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1lqx h THR 55 N 0.89 0.86 -0.51 0.00 2.02 -1.92 -0.58 112.91 113.67 1lqx h THR 55 Ca 0.01 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1lqx h THR 55 Cb 1.24 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1lqx h THR 55 CO 0.12 0.04 0.25 -0.33 0.37 0.00 0.00 175.52 175.97 1lqx h GLU 56 N 0.21 0.73 -0.73 6.66 5.08 -1.94 -1.23 114.58 123.36 1lqx h GLU 56 Ca 0.16 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1lqx h GLU 56 Cb 0.16 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1lqx h GLU 56 CO -0.19 0.60 0.26 -0.91 -1.00 0.00 0.00 179.01 177.77 1lqx h ASN 57 N 0.68 1.02 -0.53 1.42 4.21 -1.86 0.33 115.58 120.84 1lqx h ASN 57 Ca 0.18 -0.17 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 1lqx h ASN 57 Cb 0.11 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 1lqx h ASN 57 CO -0.02 0.92 0.18 0.15 -1.29 0.00 0.00 177.43 177.38 1lqx h PHE 58 N 1.07 0.84 0.00 1.19 3.57 -0.80 -2.86 116.94 119.95 1lqx h PHE 58 Ca 0.24 -0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 1lqx h PHE 58 Cb 0.24 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1lqx h PHE 58 CO 0.02 0.71 -0.92 0.93 -2.23 0.00 0.00 178.31 176.82 1lqx h GLU 59 N 0.73 0.00 -0.32 1.11 4.39 -0.94 -3.17 114.58 116.38 1lqx h GLU 59 Ca 0.17 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1lqx h GLU 59 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1lqx h GLU 59 CO -0.01 0.92 0.08 0.22 -1.16 0.00 0.00 179.01 179.06 1lqx h ASP 60 N 0.00 0.42 1.68 1.42 1.82 -0.21 -1.61 116.42 119.94 1lqx h ASP 60 Ca -0.01 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1lqx h ASP 60 Cb 1.64 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 41.54 1lqx h ASP 60 CO 0.12 0.43 -0.32 -0.37 -1.61 0.00 0.00 179.24 177.49 1lqx h VAL 61 N 0.46 0.18 -4.17 2.25 -1.51 -1.56 -3.49 116.25 108.42 1lqx h VAL 61 Ca 0.11 -1.27 -0.06 0.00 -1.23 0.00 0.00 66.70 64.25 1lqx h VAL 61 Cb 0.18 2.00 0.04 0.00 -2.13 0.00 0.00 31.29 31.38 1lqx h VAL 61 CO -0.00 0.10 -0.19 0.61 -1.23 0.00 0.00 177.57 176.86 1lqx n GLY 62 N 1.15 -0.45 3.75 5.19 0.00 -0.61 -5.00 105.19 109.22 1lqx n GLY 62 Ca 0.02 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1lqx n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lqx s HIS 63 N -3.09 2.42 0.94 1.61 3.76 -1.25 -5.01 115.29 114.67 1lqx s HIS 63 Ca 0.10 1.43 -0.13 0.00 -0.15 0.00 0.00 55.06 56.31 1lqx s HIS 63 Cb -0.01 -3.67 0.16 0.00 1.11 0.00 0.00 32.58 30.16 1lqx s HIS 63 CO 0.36 -2.53 1.13 -1.54 -0.85 0.00 0.00 174.74 171.32 1lqx s SER 64 N -1.12 3.20 0.26 1.40 1.04 -1.26 -4.86 113.70 112.36 1lqx s SER 64 Ca 0.71 0.96 -0.04 0.00 0.48 0.00 0.00 55.95 58.06 1lqx s SER 64 Cb -0.37 -1.52 0.32 0.00 0.10 0.00 0.00 66.02 64.55 1lqx s SER 64 CO 0.43 -2.74 1.84 0.74 0.98 0.00 0.00 173.24 174.49 1lqx h THR 65 N -1.63 1.24 -0.66 2.02 2.02 -1.99 -2.06 112.91 111.84 1lqx h THR 65 Ca -0.51 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 1lqx h THR 65 Cb 1.33 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1lqx h THR 65 CO 0.59 0.29 0.13 0.44 0.37 0.00 0.00 175.52 177.35 1lqx h ASP 66 N 1.01 1.02 -0.60 4.18 3.32 -1.99 -0.85 116.42 122.51 1lqx h ASP 66 Ca 0.24 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1lqx h ASP 66 Cb 0.16 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1lqx h ASP 66 CO -0.02 0.99 0.04 0.00 -1.72 0.00 0.00 179.24 178.53 1lqx h ALA 67 N 1.13 0.91 -0.35 3.45 0.00 -1.83 -1.84 119.26 120.73 1lqx h ALA 67 Ca 0.21 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1lqx h ALA 67 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1lqx h ALA 67 CO 0.01 0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 1lqx h ARG 68 N 0.96 0.74 -0.61 0.00 3.08 -1.07 -1.31 114.38 116.18 1lqx h ARG 68 Ca 0.18 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 1lqx h ARG 68 Cb 0.50 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1lqx h ARG 68 CO 0.02 0.95 0.01 0.93 -1.07 0.00 0.00 179.97 180.80 1lqx h GLU 69 N 0.63 1.07 -0.40 0.04 4.39 -0.97 -2.97 114.58 116.39 1lqx h GLU 69 Ca 0.07 -0.34 -0.11 0.00 0.34 0.00 0.00 59.36 59.33 1lqx h GLU 69 Cb 0.82 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1lqx h GLU 69 CO 0.07 1.04 -0.19 1.25 -1.16 0.00 0.00 179.01 180.03 1lqx h LEU 70 N 0.98 0.76 -1.80 1.33 5.85 -1.14 -3.02 115.31 118.27 1lqx h LEU 70 Ca 0.17 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.74 1lqx h LEU 70 Cb 0.56 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1lqx h LEU 70 CO 0.03 0.94 0.34 0.77 -0.34 0.00 0.00 178.44 180.18 1lqx h SER 71 N 0.67 0.21 -0.18 1.25 4.64 -1.07 -1.97 113.55 117.10 1lqx h SER 71 Ca 0.10 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1lqx h SER 71 Cb 0.68 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1lqx h SER 71 CO 0.05 0.12 0.17 0.11 -0.87 0.00 0.00 176.83 176.42 1lqx h LYS 72 N 0.23 0.00 0.00 4.77 1.57 -1.53 -0.98 116.57 120.63 1lqx h LYS 72 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1lqx h LYS 72 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1lqx h LYS 72 CO -0.04 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.63 1lqx h THR 73 N 0.00 0.00 -0.04 -0.16 1.35 -1.54 -2.99 112.91 109.54 1lqx h THR 73 Ca 0.08 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1lqx h THR 73 Cb 0.43 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1lqx h THR 73 CO -0.00 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.76 1lqx n PHE 74 N -2.31 0.01 -2.13 4.73 3.72 -0.37 -4.97 117.46 116.14 1lqx n PHE 74 Ca 0.02 -0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1lqx n PHE 74 Cb 0.24 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1lqx n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1lqx s ILE 75 N -1.94 3.17 -0.21 4.37 1.01 -1.13 -1.47 121.20 125.00 1lqx s ILE 75 Ca 0.27 0.85 0.03 0.00 0.00 0.00 0.00 60.65 61.80 1lqx s ILE 75 Cb 0.20 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1lqx s ILE 75 CO 0.29 0.07 0.28 2.30 0.00 0.00 0.00 174.94 177.88 1lqx n ILE 76 N 3.77 0.00 -3.73 2.92 -5.35 -0.17 -4.93 119.36 111.88 1lqx n ILE 76 Ca 0.11 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1lqx n ILE 76 Cb 0.42 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 1lqx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lqx n GLY 77 N 0.76 -0.84 3.34 3.28 0.00 -1.23 -4.74 105.19 105.76 1lqx n GLY 77 Ca 0.01 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 1lqx n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqx s GLU 78 N -1.45 1.35 0.12 1.61 2.02 -0.16 -0.52 118.70 121.66 1lqx s GLU 78 Ca 0.00 -1.67 -0.30 0.00 0.02 0.00 0.00 54.97 53.02 1lqx s GLU 78 Cb 0.00 -0.73 -0.07 0.00 0.10 0.00 0.00 34.13 33.44 1lqx s GLU 78 CO 0.00 -0.05 1.13 -1.17 0.02 0.00 0.00 175.26 175.19 1lqx s LEU 79 N -3.32 4.43 0.20 1.80 2.96 -0.27 -0.85 118.68 123.64 1lqx s LEU 79 Ca 0.27 2.04 -0.32 0.00 -0.22 0.00 0.00 54.13 55.90 1lqx s LEU 79 Cb 0.05 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 43.01 1lqx s LEU 79 CO 0.08 -0.32 1.43 1.57 -1.32 0.00 0.00 176.35 177.79 1lqx n HIS 80 N 3.06 2.08 -0.27 5.38 -0.00 0.63 -4.78 115.22 121.32 1lqx n HIS 80 Ca 0.05 0.42 0.23 0.00 -0.00 0.00 0.00 57.72 58.43 1lqx n HIS 80 Cb 0.47 -2.46 0.57 0.00 -0.00 0.00 0.00 29.99 28.56 1lqx n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1lqx h PRO 81 N 4.60 0.29 0.00 1.57 0.11 -1.92 -0.67 132.00 135.98 1lqx h PRO 81 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1lqx h PRO 81 Cb 1.28 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1lqx h PRO 81 CO 0.79 0.19 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.21 1lqx h ASP 82 N 0.30 0.00 0.01 -2.05 3.45 -1.99 -2.70 116.42 113.45 1lqx h ASP 82 Ca 0.52 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.98 1lqx h ASP 82 Cb 1.48 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.25 1lqx h ASP 82 CO -0.18 0.12 -0.09 0.47 -1.57 0.00 0.00 179.24 177.99 1lqx n ASP 83 N -3.64 2.09 -0.08 6.45 8.00 -0.26 -5.16 116.55 123.94 1lqx n ASP 83 Ca -0.02 -1.62 0.16 0.00 0.71 0.00 0.00 54.79 54.02 1lqx n ASP 83 Cb 0.24 0.08 0.88 0.00 -0.02 0.00 0.00 41.12 42.30 1lqx n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35