#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr6 s VAL 4 N 0.00 1.05 -0.20 0.00 0.11 -1.26 -5.13 120.40 114.97 1lr6 s VAL 4 Ca 0.00 -0.71 -0.10 0.00 -2.93 0.00 0.00 61.98 58.23 1lr6 s VAL 4 Cb 0.00 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1lr6 s VAL 4 CO 0.00 0.19 0.15 -0.75 -3.33 0.00 0.00 175.10 171.36 1lr6 s LYS 5 N -0.60 4.18 -0.13 1.54 2.20 -1.26 -5.02 119.74 120.65 1lr6 s LYS 5 Ca 0.04 -0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1lr6 s LYS 5 Cb -0.06 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1lr6 s LYS 5 CO 0.00 0.26 -0.04 0.71 -0.36 0.00 0.00 175.35 175.92 1lr6 s TYR 6 N 0.47 3.03 0.08 4.03 2.02 -1.26 -1.14 117.35 124.59 1lr6 s TYR 6 Ca 0.09 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 56.69 1lr6 s TYR 6 Cb -0.12 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1lr6 s TYR 6 CO -0.01 0.10 -0.15 0.71 -1.57 0.00 0.00 175.55 174.63 1lr6 s TYR 7 N -0.00 2.62 0.36 2.71 1.51 -0.04 -4.79 117.35 119.72 1lr6 s TYR 7 Ca 0.01 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1lr6 s TYR 7 Cb -0.13 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1lr6 s TYR 7 CO 0.03 0.36 0.56 0.95 -1.11 0.00 0.00 175.55 176.33 1lr6 s THR 8 N -1.09 4.83 0.40 -0.71 -4.23 -1.26 0.27 115.64 113.85 1lr6 s THR 8 Ca 0.18 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1lr6 s THR 8 Cb -0.11 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.23 1lr6 s THR 8 CO 0.09 -0.47 2.03 -0.07 -0.54 0.00 0.00 174.62 175.66 1lr6 h LEU 9 N 0.72 0.48 -0.31 4.79 3.38 -1.95 -1.76 115.31 120.65 1lr6 h LEU 9 Ca -0.49 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1lr6 h LEU 9 Cb 1.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1lr6 h LEU 9 CO 0.60 0.38 0.21 -0.08 0.09 0.00 0.00 178.44 179.63 1lr6 h GLU 10 N 0.55 0.41 -0.06 1.13 4.81 -1.97 -1.81 114.58 117.64 1lr6 h GLU 10 Ca 0.15 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 1lr6 h GLU 10 Cb -0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1lr6 h GLU 10 CO -0.03 0.27 -0.70 1.05 -0.73 0.00 0.00 179.01 178.88 1lr6 h GLU 11 N 0.42 0.30 -0.67 1.92 4.11 -1.83 -3.24 114.58 115.59 1lr6 h GLU 11 Ca 0.11 -0.24 -0.07 0.00 0.07 0.00 0.00 59.36 59.24 1lr6 h GLU 11 Cb -0.05 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1lr6 h GLU 11 CO -0.03 0.88 0.16 0.82 0.07 0.00 0.00 179.01 180.91 1lr6 h ILE 12 N 0.21 1.26 -0.05 -1.06 2.04 -1.15 -2.84 117.51 115.92 1lr6 h ILE 12 Ca -0.02 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1lr6 h ILE 12 Cb 1.25 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1lr6 h ILE 12 CO 0.11 0.37 0.10 0.06 0.00 0.00 0.00 178.15 178.79 1lr6 h GLN 13 N 1.00 0.00 0.00 2.37 3.07 -1.35 -0.83 115.11 119.38 1lr6 h GLN 13 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1lr6 h GLN 13 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1lr6 h GLN 13 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.55 1lr6 n LYS 14 N -3.46 0.21 -2.81 0.06 5.02 -1.07 -4.23 118.16 111.88 1lr6 n LYS 14 Ca -0.02 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.11 1lr6 n LYS 14 Cb 0.18 -1.79 0.01 0.00 -0.02 0.00 0.00 35.03 33.41 1lr6 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1lr6 n HIS 15 N -2.17 2.41 -2.71 2.13 8.25 -0.32 -4.56 115.22 118.25 1lr6 n HIS 15 Ca 0.05 -2.62 -0.09 0.00 -0.26 0.00 0.00 57.72 54.80 1lr6 n HIS 15 Cb 0.36 -1.44 0.06 0.00 1.12 0.00 0.00 29.99 30.09 1lr6 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1lr6 n ASN 16 N 1.94 0.24 -2.55 0.41 6.94 -1.04 -1.68 115.26 119.52 1lr6 n ASN 16 Ca 0.30 -2.69 -0.11 0.00 -0.02 0.00 0.00 54.58 52.07 1lr6 n ASN 16 Cb 0.34 0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.75 1lr6 n ASN 16 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1lr6 n ASN 17 N -0.19 1.22 0.28 0.53 0.23 -0.53 -5.02 115.26 111.78 1lr6 n ASN 17 Ca 0.06 -1.92 0.14 0.00 -0.53 0.00 0.00 54.58 52.33 1lr6 n ASN 17 Cb 0.81 0.41 0.82 0.00 -2.08 0.00 0.00 39.78 39.74 1lr6 n ASN 17 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1lr6 h SER 18 N 0.67 0.00 -0.01 0.53 4.64 -1.99 -2.93 113.55 114.45 1lr6 h SER 18 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1lr6 h SER 18 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1lr6 h SER 18 CO 0.22 0.05 -0.32 2.29 -0.87 0.00 0.00 176.83 178.20 1lr6 n LYS 19 N -3.82 1.69 -3.68 4.77 2.85 -1.26 -4.96 118.16 113.76 1lr6 n LYS 19 Ca -0.03 -0.80 -0.10 0.00 -1.05 0.00 0.00 58.31 56.33 1lr6 n LYS 19 Cb 0.14 -1.26 -0.10 0.00 -0.65 0.00 0.00 35.03 33.16 1lr6 n LYS 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1lr6 s SER 20 N -1.86 -0.42 -0.16 -5.58 0.15 -1.11 -4.98 113.70 99.74 1lr6 s SER 20 Ca 0.13 0.94 -0.02 0.00 0.70 0.00 0.00 55.95 57.70 1lr6 s SER 20 Cb 0.13 0.98 0.05 0.00 -1.71 0.00 0.00 66.02 65.47 1lr6 s SER 20 CO 0.39 -0.21 -0.00 -0.89 1.20 0.00 0.00 173.24 173.73 1lr6 s THR 21 N 1.84 0.72 0.22 6.45 2.01 -1.26 -1.45 115.64 124.17 1lr6 s THR 21 Ca -0.07 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 61.58 1lr6 s THR 21 Cb -0.10 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1lr6 s THR 21 CO -0.13 0.01 -0.19 0.26 -0.69 0.00 0.00 174.62 173.88 1lr6 s TRP 22 N 1.79 2.04 0.20 4.92 0.52 -0.68 -1.01 118.94 126.72 1lr6 s TRP 22 Ca 0.01 -0.43 -0.21 0.00 0.02 0.00 0.00 56.10 55.49 1lr6 s TRP 22 Cb -0.15 -0.94 0.05 0.00 -1.15 0.00 0.00 33.47 31.27 1lr6 s TRP 22 CO -0.07 0.51 0.60 -0.48 0.02 0.00 0.00 176.95 177.52 1lr6 s LEU 23 N -3.14 -0.28 -0.08 2.99 0.05 -0.81 0.27 118.68 117.68 1lr6 s LEU 23 Ca 0.23 -0.29 0.00 0.00 0.05 0.00 0.00 54.13 54.13 1lr6 s LEU 23 Cb -0.05 2.47 -0.03 0.00 -2.05 0.00 0.00 46.19 46.54 1lr6 s LEU 23 CO 0.10 -1.08 -0.07 -0.63 -0.55 0.00 0.00 176.35 174.12 1lr6 s ILE 24 N -3.83 3.65 -0.08 1.48 1.01 0.17 -1.08 121.20 122.52 1lr6 s ILE 24 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1lr6 s ILE 24 Cb -0.02 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 39.98 1lr6 s ILE 24 CO -0.06 0.58 0.05 -0.76 0.00 0.00 0.00 174.94 174.75 1lr6 s LEU 25 N -0.56 0.35 -1.38 2.97 1.43 -0.69 -0.33 118.68 120.48 1lr6 s LEU 25 Ca 0.08 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1lr6 s LEU 25 Cb -0.12 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 45.86 1lr6 s LEU 25 CO 0.02 -0.26 0.63 1.41 0.23 0.00 0.00 176.35 178.38 1lr6 n HIS 26 N 5.25 -1.85 -0.87 0.29 8.25 -1.26 -1.45 115.22 123.58 1lr6 n HIS 26 Ca -0.05 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1lr6 n HIS 26 Cb 0.50 -4.07 0.00 0.00 1.12 0.00 0.00 29.99 27.53 1lr6 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1lr6 n TYR 27 N -4.36 0.00 -4.17 4.41 4.01 -1.26 -4.99 117.16 110.80 1lr6 n TYR 27 Ca -0.26 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.14 1lr6 n TYR 27 Cb 0.66 -1.29 -0.08 0.00 -0.31 0.00 0.00 39.34 38.33 1lr6 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1lr6 s LYS 28 N -1.15 3.06 -0.20 -0.72 1.02 -0.53 -0.67 119.74 120.55 1lr6 s LYS 28 Ca 0.00 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.45 1lr6 s LYS 28 Cb 0.00 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1lr6 s LYS 28 CO 0.00 0.68 0.21 0.08 -0.92 0.00 0.00 175.35 175.40 1lr6 s VAL 29 N -1.07 5.34 -0.09 3.17 1.01 0.83 -1.70 120.40 127.90 1lr6 s VAL 29 Ca 0.19 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1lr6 s VAL 29 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1lr6 s VAL 29 CO 0.09 0.38 -0.18 -0.31 0.00 0.00 0.00 175.10 175.08 1lr6 s TYR 30 N 0.70 2.66 -0.48 5.22 1.51 -0.24 -0.99 117.35 125.73 1lr6 s TYR 30 Ca 0.11 -0.59 -0.14 0.00 -1.01 0.00 0.00 57.07 55.44 1lr6 s TYR 30 Cb -0.13 -1.71 0.09 0.00 -0.11 0.00 0.00 41.96 40.10 1lr6 s TYR 30 CO 0.02 -0.14 0.40 0.34 -1.11 0.00 0.00 175.55 175.06 1lr6 s ASP 31 N -0.05 6.06 -0.14 2.29 -1.08 -0.30 -1.92 116.67 121.54 1lr6 s ASP 31 Ca -0.04 -1.49 0.17 0.00 -0.52 0.00 0.00 52.55 50.67 1lr6 s ASP 31 Cb -0.14 -2.15 0.71 0.00 -1.46 0.00 0.00 42.92 39.88 1lr6 s ASP 31 CO 0.04 -0.68 1.63 0.18 0.52 0.00 0.00 175.17 176.86 1lr6 n LEU 32 N 5.16 4.85 -0.22 -1.34 4.77 -0.18 -4.68 117.00 125.36 1lr6 n LEU 32 Ca -0.12 -2.59 -0.02 0.00 -0.03 0.00 0.00 56.01 53.25 1lr6 n LEU 32 Cb 0.43 -0.59 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1lr6 n LEU 32 CO 0.47 0.76 0.68 0.74 -1.33 0.00 0.00 177.39 178.72 1lr6 h THR 33 N 3.80 0.25 -0.00 -5.08 2.02 -1.89 -0.59 112.91 111.42 1lr6 h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1lr6 h THR 33 Cb 1.55 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1lr6 h THR 33 CO 0.28 0.00 -0.15 0.29 0.37 0.00 0.00 175.52 176.31 1lr6 n LYS 34 N -5.45 0.59 0.04 6.66 5.02 -1.26 -3.88 118.16 119.87 1lr6 n LYS 34 Ca 0.07 -0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.20 1lr6 n LYS 34 Cb 0.36 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1lr6 n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1lr6 n PHE 35 N -1.01 0.67 -0.34 2.13 -0.00 -0.28 -4.52 117.46 114.11 1lr6 n PHE 35 Ca 0.13 0.21 0.03 0.00 -0.00 0.00 0.00 57.45 57.82 1lr6 n PHE 35 Cb 0.30 -0.90 0.11 0.00 -0.00 0.00 0.00 39.48 38.99 1lr6 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1lr6 h LEU 36 N 0.00 -0.99 -1.18 -2.13 3.38 -1.53 0.16 115.31 113.03 1lr6 h LEU 36 Ca -0.10 0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1lr6 h LEU 36 Cb 1.28 0.61 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 1lr6 h LEU 36 CO 0.02 -0.31 -0.16 -0.33 0.09 0.00 0.00 178.44 177.75 1lr6 h GLU 37 N -0.01 0.00 0.00 1.13 5.08 -1.86 -3.18 114.58 115.75 1lr6 h GLU 37 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1lr6 h GLU 37 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1lr6 h GLU 37 CO -0.96 0.16 -1.14 0.39 -1.00 0.00 0.00 179.01 176.47 1lr6 n GLU 38 N -3.31 0.59 -1.65 2.33 -0.58 0.45 -4.94 120.64 113.52 1lr6 n GLU 38 Ca 0.00 0.07 -0.47 0.00 -0.42 0.00 0.00 57.16 56.35 1lr6 n GLU 38 Cb 0.40 -1.77 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1lr6 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1lr6 n HIS 39 N -2.56 2.29 -0.32 -0.32 -0.00 -0.45 -4.87 115.22 108.98 1lr6 n HIS 39 Ca -0.00 -0.09 0.07 0.00 0.46 0.00 0.00 57.72 58.16 1lr6 n HIS 39 Cb 0.54 -2.70 0.23 0.00 -0.12 0.00 0.00 29.99 27.95 1lr6 n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1lr6 h PRO 40 N 10.41 0.72 0.00 1.57 0.11 -1.92 -0.16 132.00 142.74 1lr6 h PRO 40 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1lr6 h PRO 40 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1lr6 h PRO 40 CO 0.95 0.48 0.00 0.41 -0.21 0.00 0.00 178.00 179.63 1lr6 n GLY 41 N -1.33 -0.84 0.00 -0.55 0.00 -1.26 -4.99 105.19 96.22 1lr6 n GLY 41 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1lr6 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr6 n GLY 42 N 0.12 1.01 0.02 -0.02 0.00 -0.07 -4.75 105.19 101.50 1lr6 n GLY 42 Ca 0.08 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.16 1lr6 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1lr6 n GLU 43 N 1.29 0.55 -0.33 1.61 0.28 -1.26 -4.38 120.64 118.40 1lr6 n GLU 43 Ca 0.00 -0.14 -0.01 0.00 -0.16 0.00 0.00 57.16 56.86 1lr6 n GLU 43 Cb 0.00 -1.55 0.13 0.00 1.43 0.00 0.00 31.44 31.45 1lr6 n GLU 43 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1lr6 h GLU 44 N 0.00 1.09 -0.11 3.44 4.39 -1.93 0.04 114.58 121.50 1lr6 h GLU 44 Ca 0.00 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1lr6 h GLU 44 Cb 0.92 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1lr6 h GLU 44 CO 0.00 0.72 -0.28 1.88 -1.16 0.00 0.00 179.01 180.18 1lr6 h TYR 45 N 1.12 0.22 0.07 4.33 0.05 -1.86 -2.13 116.97 118.78 1lr6 h TYR 45 Ca 0.37 -0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.99 1lr6 h TYR 45 Cb 0.04 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 37.73 1lr6 h TYR 45 CO -0.02 0.47 -0.51 -0.07 -1.05 0.00 0.00 178.16 176.98 1lr6 h LEU 46 N 0.18 0.33 -1.11 3.88 3.38 -1.55 -3.26 115.31 117.16 1lr6 h LEU 46 Ca 0.03 -0.91 -0.05 0.00 0.09 0.00 0.00 57.88 57.04 1lr6 h LEU 46 Cb 0.59 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1lr6 h LEU 46 CO 0.04 1.21 0.09 0.03 0.09 0.00 0.00 178.44 179.90 1lr6 h ARG 47 N -0.51 0.71 0.00 1.13 3.08 -1.02 -1.29 114.38 116.48 1lr6 h ARG 47 Ca -0.08 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1lr6 h ARG 47 Cb 1.35 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1lr6 h ARG 47 CO 0.10 0.67 -0.10 1.49 -1.07 0.00 0.00 179.97 181.06 1lr6 h GLU 48 N 0.69 0.00 -0.01 0.04 4.81 -1.49 -2.49 114.58 116.13 1lr6 h GLU 48 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1lr6 h GLU 48 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1lr6 h GLU 48 CO 0.00 0.10 -0.68 1.04 -0.73 0.00 0.00 179.01 178.74 1lr6 n GLN 49 N -3.99 0.99 -1.64 1.92 1.13 -0.84 -5.01 117.38 109.94 1lr6 n GLN 49 Ca -0.02 -0.45 -0.45 0.00 -1.94 0.00 0.00 57.00 54.14 1lr6 n GLN 49 Cb 0.19 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 1lr6 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lr6 n ALA 50 N -0.78 0.57 -0.54 -1.58 0.00 -0.55 -2.54 120.51 115.09 1lr6 n ALA 50 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1lr6 n ALA 50 Cb 0.36 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1lr6 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lr6 n GLY 51 N 1.79 0.77 0.00 0.00 0.00 0.14 -4.83 105.19 103.06 1lr6 n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1lr6 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr6 n GLY 52 N -2.06 3.58 3.64 -0.02 0.00 -1.05 -3.42 105.19 105.86 1lr6 n GLY 52 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1lr6 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lr6 s ASP 53 N -0.67 6.76 -0.16 1.61 3.68 -1.26 -0.66 116.67 125.98 1lr6 s ASP 53 Ca 0.00 0.93 0.18 0.00 2.13 0.00 0.00 52.55 55.79 1lr6 s ASP 53 Cb 0.00 -2.41 0.42 0.00 -1.45 0.00 0.00 42.92 39.49 1lr6 s ASP 53 CO 0.00 -0.48 1.30 0.00 0.13 0.00 0.00 175.17 176.12 1lr6 n ALA 54 N 5.93 2.67 0.12 3.66 0.00 0.56 -4.79 120.51 128.65 1lr6 n ALA 54 Ca 0.04 -2.46 -0.13 0.00 0.00 0.00 0.00 53.44 50.89 1lr6 n ALA 54 Cb 0.48 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 1lr6 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1lr6 h THR 55 N 0.99 0.36 -0.73 0.00 2.02 -1.90 -0.93 112.91 112.72 1lr6 h THR 55 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1lr6 h THR 55 Cb 1.25 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1lr6 h THR 55 CO 0.12 0.00 0.43 -0.33 0.37 0.00 0.00 175.52 176.11 1lr6 h GLU 56 N -0.52 0.77 -0.62 6.66 5.08 -1.93 -1.03 114.58 122.99 1lr6 h GLU 56 Ca 0.03 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1lr6 h GLU 56 Cb 0.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1lr6 h GLU 56 CO -0.17 0.51 0.12 -0.91 -1.00 0.00 0.00 179.01 177.56 1lr6 h ASN 57 N 0.79 0.97 -0.27 1.42 4.21 -1.87 0.10 115.58 120.93 1lr6 h ASN 57 Ca 0.32 -0.25 0.02 0.00 1.21 0.00 0.00 56.30 57.60 1lr6 h ASN 57 Cb 0.17 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 1lr6 h ASN 57 CO -0.17 0.97 0.14 0.15 -1.29 0.00 0.00 177.43 177.22 1lr6 h PHE 58 N 0.93 0.25 -0.01 1.19 3.57 -0.62 -2.34 116.94 119.91 1lr6 h PHE 58 Ca 0.19 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.55 1lr6 h PHE 58 Cb 0.40 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1lr6 h PHE 58 CO 0.03 0.14 -0.71 0.93 -2.23 0.00 0.00 178.31 176.47 1lr6 h GLU 59 N 0.29 0.06 -0.73 1.11 4.39 -1.06 -3.10 114.58 115.54 1lr6 h GLU 59 Ca 0.11 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1lr6 h GLU 59 Cb 0.03 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1lr6 h GLU 59 CO -0.07 0.74 0.34 0.22 -1.16 0.00 0.00 179.01 179.08 1lr6 h ASP 60 N 0.04 0.96 0.63 1.42 3.58 -0.44 -2.37 116.42 120.25 1lr6 h ASP 60 Ca -0.01 -0.14 -0.12 0.00 0.42 0.00 0.00 57.03 57.17 1lr6 h ASP 60 Cb 1.25 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1lr6 h ASP 60 CO 0.10 0.84 -0.59 -0.37 -2.88 0.00 0.00 179.24 176.34 1lr6 h VAL 61 N 1.03 1.38 -2.94 2.25 -1.51 -1.46 -3.49 116.25 111.51 1lr6 h VAL 61 Ca 0.25 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 1lr6 h VAL 61 Cb 0.14 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1lr6 h VAL 61 CO -0.03 0.57 0.00 0.61 -1.23 0.00 0.00 177.57 177.50 1lr6 n GLY 62 N 0.23 -0.47 3.78 5.19 0.00 -0.89 -5.04 105.19 107.98 1lr6 n GLY 62 Ca -0.01 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1lr6 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lr6 s HIS 63 N -1.97 3.28 0.92 1.61 3.76 -1.25 -5.04 115.29 116.59 1lr6 s HIS 63 Ca 0.00 1.65 -0.12 0.00 -0.15 0.00 0.00 55.06 56.44 1lr6 s HIS 63 Cb 0.00 -3.11 0.14 0.00 1.11 0.00 0.00 32.58 30.73 1lr6 s HIS 63 CO 0.00 -0.58 1.10 -1.54 -0.85 0.00 0.00 174.74 172.86 1lr6 s SER 64 N -1.60 3.30 0.37 1.40 1.04 -1.26 -4.86 113.70 112.09 1lr6 s SER 64 Ca 0.58 1.34 0.08 0.00 0.48 0.00 0.00 55.95 58.43 1lr6 s SER 64 Cb -0.21 -2.01 0.73 0.00 0.10 0.00 0.00 66.02 64.63 1lr6 s SER 64 CO 0.27 -2.73 1.90 0.74 0.98 0.00 0.00 173.24 174.40 1lr6 h THR 65 N -1.61 1.19 -0.36 2.02 2.02 -1.99 -2.35 112.91 111.83 1lr6 h THR 65 Ca -0.51 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.79 1lr6 h THR 65 Cb 1.30 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1lr6 h THR 65 CO 0.56 0.26 -0.06 0.44 0.37 0.00 0.00 175.52 177.09 1lr6 h ASP 66 N 0.28 0.67 -0.60 4.18 3.32 -1.99 -1.31 116.42 120.98 1lr6 h ASP 66 Ca 0.06 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1lr6 h ASP 66 Cb 0.38 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1lr6 h ASP 66 CO 0.02 0.86 0.29 0.00 -1.72 0.00 0.00 179.24 178.69 1lr6 h ALA 67 N 0.83 0.77 -0.77 3.45 0.00 -1.85 -0.74 119.26 120.96 1lr6 h ALA 67 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1lr6 h ALA 67 Cb 0.56 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1lr6 h ALA 67 CO 0.03 0.34 0.34 0.00 0.00 0.00 0.00 179.25 179.95 1lr6 h ARG 68 N 0.82 1.13 -0.59 0.00 3.08 -1.33 0.12 114.38 117.60 1lr6 h ARG 68 Ca 0.21 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 1lr6 h ARG 68 Cb 0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1lr6 h ARG 68 CO -0.03 0.89 0.07 0.93 -1.07 0.00 0.00 179.97 180.77 1lr6 h GLU 69 N 1.11 0.98 -0.37 0.04 4.39 -0.78 -2.98 114.58 116.97 1lr6 h GLU 69 Ca 0.26 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 1lr6 h GLU 69 Cb 0.17 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1lr6 h GLU 69 CO -0.03 0.92 -0.30 1.25 -1.16 0.00 0.00 179.01 179.69 1lr6 h LEU 70 N 0.91 0.91 -1.97 1.33 5.85 -0.46 -3.12 115.31 118.76 1lr6 h LEU 70 Ca 0.18 -0.45 0.17 0.00 0.84 0.00 0.00 57.88 58.62 1lr6 h LEU 70 Cb 0.44 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1lr6 h LEU 70 CO 0.01 1.17 0.42 0.77 -0.34 0.00 0.00 178.44 180.48 1lr6 h SER 71 N 0.66 0.03 -0.05 1.25 4.64 -0.64 -2.03 113.55 117.42 1lr6 h SER 71 Ca 0.07 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1lr6 h SER 71 Cb 0.88 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1lr6 h SER 71 CO 0.08 0.01 0.04 0.11 -0.87 0.00 0.00 176.83 176.21 1lr6 h LYS 72 N 0.03 0.00 0.00 4.77 1.79 -1.52 -1.43 116.57 120.21 1lr6 h LYS 72 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1lr6 h LYS 72 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1lr6 h LYS 72 CO -0.01 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.61 1lr6 n THR 73 N -4.12 0.77 0.37 -0.16 -2.24 -0.76 -3.02 114.28 105.11 1lr6 n THR 73 Ca -0.02 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1lr6 n THR 73 Cb 0.14 -0.99 0.21 0.00 -2.10 0.00 0.00 70.33 67.59 1lr6 n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1lr6 n PHE 74 N -2.09 0.47 -2.42 4.78 3.72 -0.54 -4.96 117.46 116.42 1lr6 n PHE 74 Ca 0.03 -0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 56.78 1lr6 n PHE 74 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1lr6 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1lr6 s ILE 75 N -1.53 3.82 0.00 4.37 1.01 -1.17 -1.15 121.20 126.55 1lr6 s ILE 75 Ca 0.38 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.47 1lr6 s ILE 75 Cb 0.23 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1lr6 s ILE 75 CO 0.32 0.19 0.12 2.30 0.00 0.00 0.00 174.94 177.87 1lr6 n ILE 76 N 3.03 0.00 -3.61 2.92 -5.35 -0.16 -4.92 119.36 111.26 1lr6 n ILE 76 Ca 0.06 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1lr6 n ILE 76 Cb 0.46 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1lr6 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lr6 n GLY 77 N 0.74 -0.81 3.25 3.28 0.00 -1.22 -4.68 105.19 105.75 1lr6 n GLY 77 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1lr6 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lr6 s GLU 78 N -1.21 1.09 0.16 1.61 2.02 -0.29 -0.12 118.70 121.96 1lr6 s GLU 78 Ca 0.00 -1.49 -0.30 0.00 0.02 0.00 0.00 54.97 53.19 1lr6 s GLU 78 Cb 0.00 -0.48 -0.08 0.00 0.10 0.00 0.00 34.13 33.67 1lr6 s GLU 78 CO 0.00 -0.02 1.28 -1.17 0.02 0.00 0.00 175.26 175.37 1lr6 s LEU 79 N -3.18 4.41 0.22 1.80 2.96 0.15 -0.86 118.68 124.20 1lr6 s LEU 79 Ca 0.20 2.30 -0.32 0.00 -0.22 0.00 0.00 54.13 56.08 1lr6 s LEU 79 Cb 0.04 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 43.00 1lr6 s LEU 79 CO 0.02 -0.50 1.46 1.57 -1.32 0.00 0.00 176.35 177.57 1lr6 n HIS 80 N 2.99 2.22 -0.34 5.38 -0.00 0.14 -4.78 115.22 120.83 1lr6 n HIS 80 Ca 0.07 0.39 0.21 0.00 -0.00 0.00 0.00 57.72 58.38 1lr6 n HIS 80 Cb 0.44 -2.49 0.43 0.00 -0.00 0.00 0.00 29.99 28.37 1lr6 n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1lr6 h PRO 81 N 4.63 0.46 0.00 1.57 0.11 -1.92 -0.01 132.00 136.85 1lr6 h PRO 81 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1lr6 h PRO 81 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1lr6 h PRO 81 CO 0.79 0.30 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.37 1lr6 h ASP 82 N 0.47 0.00 0.03 -2.05 3.45 -1.98 -2.45 116.42 113.88 1lr6 h ASP 82 Ca 0.67 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.13 1lr6 h ASP 82 Cb 1.43 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.20 1lr6 h ASP 82 CO -0.49 0.08 -0.10 0.47 -1.57 0.00 0.00 179.24 177.62 1lr6 n ASP 83 N -3.41 1.90 -0.11 6.45 8.00 -0.02 -5.16 116.55 124.20 1lr6 n ASP 83 Ca -0.01 -1.53 0.16 0.00 0.71 0.00 0.00 54.79 54.11 1lr6 n ASP 83 Cb 0.23 0.08 0.86 0.00 -0.02 0.00 0.00 41.12 42.26 1lr6 n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35