#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nx7 n VAL 4 N 0.00 2.03 -3.01 0.00 3.14 -1.26 -4.97 118.33 114.26 1nx7 n VAL 4 Ca 0.00 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.44 1nx7 n VAL 4 Cb 0.00 -1.83 -0.04 0.00 -1.06 0.00 0.00 33.84 30.91 1nx7 n VAL 4 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1nx7 s LYS 5 N -2.04 3.15 -0.39 1.45 1.02 -1.26 -4.98 119.74 116.70 1nx7 s LYS 5 Ca 0.54 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 55.00 1nx7 s LYS 5 Cb -0.51 -4.34 -0.03 0.00 -0.52 0.00 0.00 37.83 32.43 1nx7 s LYS 5 CO 0.63 -1.65 2.01 0.71 -0.92 0.00 0.00 175.35 176.13 1nx7 s TYR 6 N 3.05 1.51 -0.08 3.18 2.02 -1.26 -1.92 117.35 123.84 1nx7 s TYR 6 Ca 0.18 0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 57.67 1nx7 s TYR 6 Cb -0.19 -3.98 -0.03 0.00 -0.40 0.00 0.00 41.96 37.36 1nx7 s TYR 6 CO 0.05 -3.01 -0.03 0.71 -1.57 0.00 0.00 175.55 171.70 1nx7 s TYR 7 N 8.56 3.06 0.48 2.71 2.02 0.21 -4.56 117.35 129.82 1nx7 s TYR 7 Ca 0.85 0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 57.63 1nx7 s TYR 7 Cb -0.22 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1nx7 s TYR 7 CO 0.30 0.40 0.74 -0.08 -1.57 0.00 0.00 175.55 175.34 1nx7 s THR 8 N -0.82 4.31 0.32 -0.71 -1.32 -1.26 -0.45 115.64 115.71 1nx7 s THR 8 Ca 0.12 -0.17 0.10 0.00 -1.21 0.00 0.00 61.69 60.53 1nx7 s THR 8 Cb -0.11 -3.63 0.32 0.00 -1.51 0.00 0.00 72.50 67.57 1nx7 s THR 8 CO 0.02 -0.54 1.66 -0.07 -2.21 0.00 0.00 174.62 173.48 1nx7 h LEU 9 N 0.25 0.36 -0.35 9.08 3.38 -1.97 0.30 115.31 126.36 1nx7 h LEU 9 Ca -0.47 0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1nx7 h LEU 9 Cb 1.24 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.10 1nx7 h LEU 9 CO 0.60 -0.13 -0.40 -0.08 0.09 0.00 0.00 178.44 178.53 1nx7 h GLU 10 N 0.30 -0.23 -0.68 1.13 4.57 -1.95 0.33 114.58 118.05 1nx7 h GLU 10 Ca 0.67 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 59.01 1nx7 h GLU 10 Cb 1.46 0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.99 1nx7 h GLU 10 CO -0.62 -0.15 0.02 0.93 -1.18 0.00 0.00 179.01 178.01 1nx7 h GLU 11 N -0.24 0.12 -0.65 1.92 4.39 -1.33 0.62 114.58 119.42 1nx7 h GLU 11 Ca 0.06 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1nx7 h GLU 11 Cb 0.40 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1nx7 h GLU 11 CO -0.46 0.08 0.06 0.82 -1.16 0.00 0.00 179.01 178.36 1nx7 h ILE 12 N 0.13 1.27 -0.37 3.13 5.03 -0.87 -3.10 117.51 122.72 1nx7 h ILE 12 Ca 0.37 -1.10 -0.10 0.00 -0.12 0.00 0.00 64.86 63.91 1nx7 h ILE 12 Cb 0.62 0.70 -0.02 0.00 -3.03 0.00 0.00 36.82 35.09 1nx7 h ILE 12 CO -0.58 0.41 -0.18 -0.61 -0.68 0.00 0.00 178.15 176.51 1nx7 h GLN 13 N 1.02 0.70 0.00 2.37 4.15 0.19 0.23 115.11 123.76 1nx7 h GLN 13 Ca 0.19 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1nx7 h GLN 13 Cb 0.50 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1nx7 h GLN 13 CO 0.02 0.83 -0.03 0.87 -1.93 0.00 0.00 178.83 178.59 1nx7 h LYS 14 N 0.62 0.00 -2.19 1.69 1.57 -1.28 -3.16 116.57 113.83 1nx7 h LYS 14 Ca 0.10 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 58.08 1nx7 h LYS 14 Cb 0.65 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.69 1nx7 h LYS 14 CO 0.05 0.03 1.03 0.72 -0.57 0.00 0.00 179.45 180.71 1nx7 n HIS 15 N -4.36 2.83 -3.32 -1.35 8.25 0.79 -4.55 115.22 113.51 1nx7 n HIS 15 Ca -0.03 -2.51 -0.11 0.00 -0.26 0.00 0.00 57.72 54.82 1nx7 n HIS 15 Cb 0.12 -1.19 -0.06 0.00 1.12 0.00 0.00 29.99 29.97 1nx7 n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1nx7 s ASN 16 N -1.29 0.58 0.00 0.41 3.84 -1.14 -0.09 114.94 117.25 1nx7 s ASN 16 Ca 0.42 -0.56 0.00 0.00 0.21 0.00 0.00 52.86 52.93 1nx7 s ASN 16 Cb 0.25 1.00 0.00 0.00 -0.55 0.00 0.00 41.25 41.95 1nx7 s ASN 16 CO -0.20 -0.35 0.00 0.59 -2.79 0.00 0.00 177.10 174.35 1nx7 n ASN 17 N 5.22 1.10 0.00 -4.21 5.03 -0.04 -4.92 115.26 117.44 1nx7 n ASN 17 Ca 0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1nx7 n ASN 17 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 1nx7 n ASN 17 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1nx7 n SER 18 N -2.50 0.00 -0.25 6.41 2.88 -1.26 -4.94 113.62 113.96 1nx7 n SER 18 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1nx7 n SER 18 Cb 0.31 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.93 1nx7 n SER 18 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1nx7 h LYS 19 N 0.00 0.13 -5.54 -1.46 1.63 -2.00 -3.35 116.57 105.98 1nx7 h LYS 19 Ca 0.00 -0.01 -0.32 0.00 -0.85 0.00 0.00 60.65 59.47 1nx7 h LYS 19 Cb 0.00 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1nx7 h LYS 19 CO 0.00 0.08 1.15 -1.12 -3.45 0.00 0.00 179.45 176.11 1nx7 s SER 20 N -5.20 4.27 -0.19 4.20 0.01 -1.26 -4.39 113.70 111.14 1nx7 s SER 20 Ca -0.13 0.76 -0.04 0.00 1.31 0.00 0.00 55.95 57.84 1nx7 s SER 20 Cb 0.22 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 64.01 1nx7 s SER 20 CO 0.75 -3.19 0.15 -0.89 0.41 0.00 0.00 173.24 170.48 1nx7 s THR 21 N 12.99 -0.20 0.19 1.44 2.01 -1.23 -0.87 115.64 129.98 1nx7 s THR 21 Ca 0.96 -0.18 0.09 0.00 0.31 0.00 0.00 61.69 62.86 1nx7 s THR 21 Cb -0.16 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1nx7 s THR 21 CO 0.20 -0.28 -0.10 0.26 -0.69 0.00 0.00 174.62 174.02 1nx7 s TRP 22 N 2.22 2.62 0.34 4.92 0.52 0.86 -0.48 118.94 129.94 1nx7 s TRP 22 Ca 0.05 -0.23 -0.10 0.00 0.02 0.00 0.00 56.10 55.84 1nx7 s TRP 22 Cb -0.16 -1.27 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1nx7 s TRP 22 CO -0.12 0.52 0.60 -0.48 0.02 0.00 0.00 176.95 177.49 1nx7 s LEU 23 N -2.90 0.48 -0.09 2.99 0.05 -0.68 -0.15 118.68 118.37 1nx7 s LEU 23 Ca 0.25 -1.23 0.03 0.00 0.05 0.00 0.00 54.13 53.23 1nx7 s LEU 23 Cb -0.08 2.08 0.01 0.00 -2.05 0.00 0.00 46.19 46.14 1nx7 s LEU 23 CO 0.15 -1.42 -0.18 -0.63 -0.55 0.00 0.00 176.35 173.72 1nx7 s ILE 24 N -2.99 1.65 -0.70 1.48 1.01 -0.34 -0.26 121.20 121.05 1nx7 s ILE 24 Ca 0.23 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1nx7 s ILE 24 Cb -0.02 -1.46 0.18 0.00 0.01 0.00 0.00 42.46 41.16 1nx7 s ILE 24 CO 0.15 0.47 0.51 0.18 0.00 0.00 0.00 174.94 176.25 1nx7 n LEU 25 N 3.78 3.03 -2.03 2.97 4.32 0.29 0.54 117.00 129.91 1nx7 n LEU 25 Ca -0.20 -5.22 -0.00 0.00 -0.02 0.00 0.00 56.01 50.56 1nx7 n LEU 25 Cb 0.52 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1nx7 n LEU 25 CO 0.26 1.78 0.11 1.57 -1.22 0.00 0.00 177.39 179.90 1nx7 n HIS 26 N 1.88 -1.03 0.00 -1.77 -0.00 -1.26 -3.92 115.22 109.11 1nx7 n HIS 26 Ca 0.21 0.40 0.00 0.00 0.46 0.00 0.00 57.72 58.78 1nx7 n HIS 26 Cb 0.36 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 27.83 1nx7 n HIS 26 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 1nx7 n TYR 27 N -1.21 0.00 -3.01 1.57 4.19 -1.26 -4.95 117.16 112.50 1nx7 n TYR 27 Ca 0.00 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.82 1nx7 n TYR 27 Cb 0.48 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.25 1nx7 n TYR 27 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1nx7 s LYS 28 N 0.00 4.52 -0.24 2.98 1.02 -1.25 0.12 119.74 126.88 1nx7 s LYS 28 Ca 0.00 1.10 -0.09 0.00 0.02 0.00 0.00 55.97 57.00 1nx7 s LYS 28 Cb 0.00 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1nx7 s LYS 28 CO 0.00 0.52 0.12 0.08 -0.92 0.00 0.00 175.35 175.14 1nx7 s VAL 29 N -0.91 4.86 -0.22 3.17 1.01 0.83 -0.55 120.40 128.59 1nx7 s VAL 29 Ca 0.36 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 1nx7 s VAL 29 Cb -0.22 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1nx7 s VAL 29 CO 0.25 0.34 -0.02 -0.31 0.00 0.00 0.00 175.10 175.36 1nx7 s TYR 30 N 1.35 2.99 -1.01 5.22 1.51 0.64 -1.51 117.35 126.54 1nx7 s TYR 30 Ca 0.06 -0.72 -0.06 0.00 -1.01 0.00 0.00 57.07 55.34 1nx7 s TYR 30 Cb -0.15 -2.11 0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1nx7 s TYR 30 CO 0.05 -0.43 2.69 -0.40 -1.11 0.00 0.00 175.55 176.36 1nx7 n ASP 31 N 4.63 7.48 0.00 2.29 5.75 0.23 -1.69 116.55 135.24 1nx7 n ASP 31 Ca -0.18 -3.01 0.07 0.00 -0.01 0.00 0.00 54.79 51.66 1nx7 n ASP 31 Cb 0.51 -1.36 0.37 0.00 -1.03 0.00 0.00 41.12 39.61 1nx7 n ASP 31 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nx7 n LEU 32 N 1.84 0.00 -0.26 -2.12 4.77 -0.87 -2.76 117.00 117.59 1nx7 n LEU 32 Ca 0.59 0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.82 1nx7 n LEU 32 Cb 0.39 -0.15 0.20 0.00 -2.33 0.00 0.00 43.42 41.52 1nx7 n LEU 32 CO 0.56 -0.09 0.57 0.41 -1.33 0.00 0.00 177.39 177.52 1nx7 n THR 33 N -1.15 -0.31 0.11 -5.08 -1.04 0.37 0.22 114.28 107.40 1nx7 n THR 33 Ca 0.08 1.65 -0.01 0.00 -2.04 0.00 0.00 64.05 63.73 1nx7 n THR 33 Cb 0.08 -2.38 -0.01 0.00 -1.82 0.00 0.00 70.33 66.19 1nx7 n THR 33 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1nx7 h LYS 34 N 0.00 0.00 0.00 -2.82 2.10 -1.83 -3.37 116.57 110.65 1nx7 h LYS 34 Ca 0.43 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.97 1nx7 h LYS 34 Cb 0.85 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.16 1nx7 h LYS 34 CO -0.71 0.69 -1.34 0.34 -2.00 0.00 0.00 179.45 176.43 1nx7 n PHE 35 N -3.31 0.92 -0.19 0.07 7.35 0.13 -4.49 117.46 117.94 1nx7 n PHE 35 Ca 0.01 0.29 -0.03 0.00 -0.76 0.00 0.00 57.45 56.96 1nx7 n PHE 35 Cb 0.80 -1.02 -0.02 0.00 0.35 0.00 0.00 39.48 39.59 1nx7 n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1nx7 n LEU 36 N -2.79 -0.42 0.08 -2.13 4.77 -0.16 -0.54 117.00 115.81 1nx7 n LEU 36 Ca -0.07 0.84 -0.09 0.00 -0.03 0.00 0.00 56.01 56.66 1nx7 n LEU 36 Cb 0.75 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1nx7 n LEU 36 CO 0.42 -0.71 0.28 -0.33 -1.33 0.00 0.00 177.39 175.72 1nx7 h GLU 37 N 0.00 0.23 -0.34 3.23 3.07 -1.89 -2.92 114.58 115.97 1nx7 h GLU 37 Ca 0.11 -0.24 -0.11 0.00 -0.50 0.00 0.00 59.36 58.63 1nx7 h GLU 37 Cb 0.23 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1nx7 h GLU 37 CO -0.46 0.94 -0.23 0.93 -1.40 0.00 0.00 179.01 178.80 1nx7 h GLU 38 N 0.14 0.75 -6.36 2.33 5.08 -1.08 -3.47 114.58 111.98 1nx7 h GLU 38 Ca -0.04 -0.36 -0.61 0.00 -1.00 0.00 0.00 59.36 57.35 1nx7 h GLU 38 Cb 1.44 -0.01 0.04 0.00 0.50 0.00 0.00 28.75 30.72 1nx7 h GLU 38 CO 0.13 0.98 0.94 1.58 -1.00 0.00 0.00 179.01 181.63 1nx7 n HIS 39 N -4.27 2.25 -0.01 4.33 -0.00 -0.07 -4.89 115.22 112.56 1nx7 n HIS 39 Ca -0.03 0.16 0.18 0.00 0.46 0.00 0.00 57.72 58.50 1nx7 n HIS 39 Cb 0.44 -2.59 0.65 0.00 -0.12 0.00 0.00 29.99 28.37 1nx7 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1nx7 h PRO 40 N 7.57 0.08 -0.43 1.57 0.13 -1.91 0.15 132.00 139.16 1nx7 h PRO 40 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nx7 h PRO 40 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nx7 h PRO 40 CO 0.92 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 1nx7 n GLY 41 N -1.61 0.55 5.74 1.56 0.00 -1.26 -5.04 105.19 105.12 1nx7 n GLY 41 Ca 0.09 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1nx7 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nx7 n GLY 42 N 0.56 -1.66 0.12 -0.02 0.00 0.54 -4.50 105.19 100.23 1nx7 n GLY 42 Ca 0.06 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 1nx7 n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nx7 h GLU 43 N 0.00 0.10 -0.96 1.61 9.09 -1.80 -3.41 114.58 119.22 1nx7 h GLU 43 Ca 0.00 -0.17 0.09 0.00 0.05 0.00 0.00 59.36 59.34 1nx7 h GLU 43 Cb 0.13 0.06 -0.12 0.00 -1.65 0.00 0.00 28.75 27.17 1nx7 h GLU 43 CO 0.00 1.08 -0.54 -1.91 0.05 0.00 0.00 179.01 177.69 1nx7 n GLU 44 N -4.09 -0.40 0.23 1.06 4.07 -1.26 -0.53 120.64 119.72 1nx7 n GLU 44 Ca -0.32 1.45 0.07 0.00 -0.06 0.00 0.00 57.16 58.30 1nx7 n GLU 44 Cb 0.82 -2.14 0.55 0.00 -0.06 0.00 0.00 31.44 30.61 1nx7 n GLU 44 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 1nx7 h VAL 45 N 0.00 1.04 0.15 6.31 3.04 -1.81 0.87 116.25 125.86 1nx7 h VAL 45 Ca 0.17 -0.58 -0.23 0.00 -1.01 0.00 0.00 66.70 65.06 1nx7 h VAL 45 Cb 0.42 1.32 0.02 0.00 -2.01 0.00 0.00 31.29 31.03 1nx7 h VAL 45 CO -0.91 0.16 -1.07 -0.07 -1.01 0.00 0.00 177.57 174.67 1nx7 h LEU 46 N 0.00 0.51 -0.54 3.16 3.38 -1.04 -2.77 115.31 118.01 1nx7 h LEU 46 Ca -0.00 -0.93 0.10 0.00 0.09 0.00 0.00 57.88 57.14 1nx7 h LEU 46 Cb 0.30 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1nx7 h LEU 46 CO 0.02 1.50 0.08 -0.09 0.09 0.00 0.00 178.44 180.04 1nx7 h ARG 47 N -0.27 0.20 -0.62 1.13 2.43 -0.44 0.30 114.38 117.10 1nx7 h ARG 47 Ca -0.20 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1nx7 h ARG 47 Cb 1.76 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 31.18 1nx7 h ARG 47 CO 0.15 0.13 0.21 0.93 -1.51 0.00 0.00 179.97 179.88 1nx7 h GLU 48 N 0.21 0.36 0.00 0.20 5.08 -0.84 -0.59 114.58 118.99 1nx7 h GLU 48 Ca 0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1nx7 h GLU 48 Cb 0.40 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1nx7 h GLU 48 CO -0.39 0.24 0.00 1.04 -1.00 0.00 0.00 179.01 178.90 1nx7 n GLN 49 N -5.03 0.07 -1.65 2.33 1.13 -0.65 -4.92 117.38 108.65 1nx7 n GLN 49 Ca 0.09 0.18 -0.40 0.00 -1.94 0.00 0.00 57.00 54.94 1nx7 n GLN 49 Cb 0.30 -1.61 0.03 0.00 0.11 0.00 0.00 30.24 29.07 1nx7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nx7 n ALA 50 N -1.59 0.68 -2.03 -1.58 0.00 0.97 -2.42 120.51 114.54 1nx7 n ALA 50 Ca 0.05 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 1nx7 n ALA 50 Cb 0.28 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 1nx7 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nx7 n GLY 51 N 1.05 0.20 3.77 0.00 0.00 0.78 -4.84 105.19 106.15 1nx7 n GLY 51 Ca 0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1nx7 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nx7 s GLY 52 N -2.55 -0.20 -0.37 -0.02 0.00 -1.02 -4.18 107.32 98.98 1nx7 s GLY 52 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 44.72 44.43 1nx7 s GLY 52 CO 0.00 -0.01 1.69 0.51 0.00 0.00 0.00 173.10 175.29 1nx7 s ASP 53 N -2.89 5.98 -0.07 1.64 -4.77 -1.26 -1.19 116.67 114.09 1nx7 s ASP 53 Ca 0.10 1.11 0.13 0.00 -3.30 0.00 0.00 52.55 50.60 1nx7 s ASP 53 Cb -0.04 -2.53 0.52 0.00 -1.09 0.00 0.00 42.92 39.78 1nx7 s ASP 53 CO 0.03 -1.67 1.39 0.00 0.70 0.00 0.00 175.17 175.61 1nx7 n ALA 54 N 10.02 2.89 -0.33 2.11 0.00 0.19 -4.35 120.51 131.04 1nx7 n ALA 54 Ca 0.21 -1.11 0.23 0.00 0.00 0.00 0.00 53.44 52.77 1nx7 n ALA 54 Cb 0.47 -1.02 0.44 0.00 0.00 0.00 0.00 19.45 19.35 1nx7 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nx7 h THR 55 N 2.97 0.02 -0.29 0.00 2.02 -0.74 0.26 112.91 117.14 1nx7 h THR 55 Ca 0.00 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1nx7 h THR 55 Cb 1.08 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1nx7 h THR 55 CO 0.16 0.00 -0.37 -0.08 0.37 0.00 0.00 175.52 175.60 1nx7 h GLU 56 N 0.01 -0.24 0.01 6.66 4.57 -1.87 -0.08 114.58 123.64 1nx7 h GLU 56 Ca 0.73 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.95 1nx7 h GLU 56 Cb 1.74 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.35 1nx7 h GLU 56 CO -0.84 -0.16 -0.18 -0.97 -1.18 0.00 0.00 179.01 175.68 1nx7 h ASN 57 N -0.25 -0.51 -0.86 1.04 -0.73 -0.96 0.35 115.58 113.65 1nx7 h ASN 57 Ca 0.05 0.07 0.19 0.00 1.87 0.00 0.00 56.30 58.48 1nx7 h ASN 57 Cb 0.39 0.21 -0.16 0.00 0.27 0.00 0.00 38.32 39.03 1nx7 h ASN 57 CO -0.41 -0.24 -0.16 0.33 -0.37 0.00 0.00 177.43 176.59 1nx7 n PHE 58 N -5.31 0.37 -0.10 0.67 7.35 0.23 -0.56 117.46 120.12 1nx7 n PHE 58 Ca -0.05 1.05 -0.24 0.00 -0.76 0.00 0.00 57.45 57.45 1nx7 n PHE 58 Cb 0.22 -1.04 -0.11 0.00 0.35 0.00 0.00 39.48 38.90 1nx7 n PHE 58 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1nx7 n GLU 59 N -5.37 0.61 0.23 -4.13 -0.58 -0.10 -3.22 120.64 108.08 1nx7 n GLU 59 Ca 0.15 0.38 -0.15 0.00 -0.42 0.00 0.00 57.16 57.12 1nx7 n GLU 59 Cb 0.49 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 1nx7 n GLU 59 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1nx7 h ASP 60 N -0.74 -0.46 -1.29 1.62 3.58 -0.16 -2.30 116.42 116.67 1nx7 h ASP 60 Ca -0.51 -0.04 -0.64 0.00 0.42 0.00 0.00 57.03 56.27 1nx7 h ASP 60 Cb 1.58 0.12 -0.25 0.00 1.72 0.00 0.00 39.33 42.50 1nx7 h ASP 60 CO -0.23 -0.26 0.81 0.52 -2.88 0.00 0.00 179.24 177.21 1nx7 n VAL 61 N -5.29 3.47 0.00 2.25 0.31 0.28 -4.98 118.33 114.37 1nx7 n VAL 61 Ca -0.11 -3.24 0.00 0.00 -0.01 0.00 0.00 64.34 60.98 1nx7 n VAL 61 Cb 0.26 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1nx7 n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nx7 n GLY 62 N -0.36 0.00 3.66 2.92 0.00 -0.87 -4.77 105.19 105.78 1nx7 n GLY 62 Ca 0.53 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 1nx7 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nx7 n HIS 63 N 0.00 0.93 -1.62 1.61 8.25 -1.24 -4.94 115.22 118.21 1nx7 n HIS 63 Ca 0.00 0.39 -0.39 0.00 -0.26 0.00 0.00 57.72 57.46 1nx7 n HIS 63 Cb 0.00 -2.05 0.03 0.00 1.12 0.00 0.00 29.99 29.10 1nx7 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1nx7 n SER 64 N -3.48 1.09 -0.17 0.41 3.41 -1.26 -4.64 113.62 108.98 1nx7 n SER 64 Ca 0.13 0.91 -0.11 0.00 -0.26 0.00 0.00 58.87 59.54 1nx7 n SER 64 Cb 0.51 -1.39 -0.08 0.00 -0.26 0.00 0.00 64.21 62.99 1nx7 n SER 64 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1nx7 h THR 65 N 1.00 0.00 -0.92 6.66 2.02 -1.99 0.17 112.91 119.86 1nx7 h THR 65 Ca -0.47 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.05 1nx7 h THR 65 Cb 1.35 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.59 1nx7 h THR 65 CO 0.54 0.00 0.33 0.47 0.37 0.00 0.00 175.52 177.23 1nx7 n ASP 66 N -4.92 0.17 0.13 4.18 9.92 -1.26 -0.54 116.55 124.22 1nx7 n ASP 66 Ca -0.02 1.53 -0.23 0.00 -0.53 0.00 0.00 54.79 55.54 1nx7 n ASP 66 Cb 0.27 -0.68 -0.15 0.00 -0.64 0.00 0.00 41.12 39.92 1nx7 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nx7 h ALA 67 N 1.83 -0.09 -0.97 2.24 0.00 -1.09 0.30 119.26 121.49 1nx7 h ALA 67 Ca 0.70 -0.83 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1nx7 h ALA 67 Cb 1.75 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.61 1nx7 h ALA 67 CO -0.76 0.71 0.62 -0.09 0.00 0.00 0.00 179.25 179.73 1nx7 h ARG 68 N 0.19 1.07 0.00 0.00 2.43 0.42 0.45 114.38 118.95 1nx7 h ARG 68 Ca -0.22 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 58.65 1nx7 h ARG 68 Cb 2.07 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 31.34 1nx7 h ARG 68 CO 0.26 0.71 -1.19 0.93 -1.51 0.00 0.00 179.97 179.17 1nx7 h GLU 69 N 1.11 0.00 -0.01 0.20 4.39 -0.62 -3.21 114.58 116.44 1nx7 h GLU 69 Ca 0.42 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 1nx7 h GLU 69 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1nx7 h GLU 69 CO -0.18 0.87 0.00 1.25 -1.16 0.00 0.00 179.01 179.79 1nx7 h LEU 70 N 0.00 0.01 -1.89 1.33 5.85 -0.16 -3.19 115.31 117.26 1nx7 h LEU 70 Ca -0.08 -0.03 0.37 0.00 0.84 0.00 0.00 57.88 58.98 1nx7 h LEU 70 Cb 1.84 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.81 1nx7 h LEU 70 CO 0.12 0.03 0.99 0.77 -0.34 0.00 0.00 178.44 180.01 1nx7 h SER 71 N -0.02 0.00 -0.98 1.25 4.64 -0.91 -0.32 113.55 117.22 1nx7 h SER 71 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1nx7 h SER 71 Cb 0.03 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.03 1nx7 h SER 71 CO -0.00 0.00 0.62 0.11 -0.87 0.00 0.00 176.83 176.69 1nx7 h LYS 72 N 0.00 0.57 0.00 4.77 1.79 -1.67 0.57 116.57 122.60 1nx7 h LYS 72 Ca 0.61 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1nx7 h LYS 72 Cb 2.59 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 33.11 1nx7 h LYS 72 CO -0.01 0.38 0.00 0.25 -1.08 0.00 0.00 179.45 178.99 1nx7 n THR 73 N -4.66 1.05 0.20 -0.16 -2.24 -0.13 -1.36 114.28 106.99 1nx7 n THR 73 Ca 0.22 0.72 0.08 0.00 -2.27 0.00 0.00 64.05 62.81 1nx7 n THR 73 Cb 0.67 -1.72 0.15 0.00 -2.10 0.00 0.00 70.33 67.33 1nx7 n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nx7 n PHE 74 N -2.25 0.36 -2.28 4.78 3.72 0.19 -4.98 117.46 117.01 1nx7 n PHE 74 Ca -0.01 -0.26 -0.42 0.00 -0.05 0.00 0.00 57.45 56.71 1nx7 n PHE 74 Cb 0.04 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1nx7 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1nx7 s ILE 75 N -1.20 3.58 -0.03 4.37 1.01 -0.46 -0.60 121.20 127.87 1nx7 s ILE 75 Ca 0.28 1.17 0.04 0.00 0.00 0.00 0.00 60.65 62.13 1nx7 s ILE 75 Cb 0.16 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1nx7 s ILE 75 CO 0.23 0.11 0.03 2.30 0.00 0.00 0.00 174.94 177.61 1nx7 n ILE 76 N 3.68 0.20 -3.14 2.92 -5.35 -0.57 -4.92 119.36 112.18 1nx7 n ILE 76 Ca 0.09 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1nx7 n ILE 76 Cb 0.44 -0.59 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1nx7 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nx7 n GLY 77 N 2.65 1.30 3.56 3.28 0.00 -1.23 -4.00 105.19 110.75 1nx7 n GLY 77 Ca -0.05 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1nx7 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nx7 s GLU 78 N -0.58 1.43 -0.06 1.61 2.02 -0.81 -0.12 118.70 122.19 1nx7 s GLU 78 Ca 0.00 -0.63 -0.35 0.00 0.02 0.00 0.00 54.97 54.01 1nx7 s GLU 78 Cb 0.00 0.59 -0.12 0.00 0.10 0.00 0.00 34.13 34.70 1nx7 s GLU 78 CO 0.00 -0.64 1.81 -0.11 0.02 0.00 0.00 175.26 176.34 1nx7 n LEU 79 N -0.40 3.29 -4.54 1.80 7.94 0.12 0.63 117.00 125.83 1nx7 n LEU 79 Ca -0.13 1.00 -0.54 0.00 -1.11 0.00 0.00 56.01 55.23 1nx7 n LEU 79 Cb 0.63 -1.36 -0.06 0.00 0.53 0.00 0.00 43.42 43.15 1nx7 n LEU 79 CO 0.13 -0.14 0.67 1.57 -1.11 0.00 0.00 177.39 178.51 1nx7 n HIS 80 N 5.94 0.97 0.09 1.96 -0.00 0.40 -4.71 115.22 119.87 1nx7 n HIS 80 Ca 0.22 0.85 0.00 0.00 -0.00 0.00 0.00 57.72 58.79 1nx7 n HIS 80 Cb 0.28 -2.19 0.02 0.00 -0.00 0.00 0.00 29.99 28.10 1nx7 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1nx7 n PRO 81 N 1.87 0.04 0.00 1.57 -0.04 -1.26 -1.20 135.00 135.99 1nx7 n PRO 81 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1nx7 n PRO 81 Cb 0.15 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1nx7 n PRO 81 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nx7 n ASP 82 N -0.75 4.08 0.01 3.54 9.92 -1.26 -4.74 116.55 127.35 1nx7 n ASP 82 Ca 0.01 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.08 1nx7 n ASP 82 Cb 0.00 0.77 -0.10 0.00 -0.64 0.00 0.00 41.12 41.15 1nx7 n ASP 82 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1nx7 h ASP 83 N 0.00 0.75 0.00 -2.24 1.82 -1.51 -3.53 116.42 111.71 1nx7 h ASP 83 Ca 0.00 -0.71 0.00 0.00 -0.39 0.00 0.00 57.03 55.93 1nx7 h ASP 83 Cb 0.09 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.88 1nx7 h ASP 83 CO 0.00 1.35 0.00 -2.11 -1.61 0.00 0.00 179.24 176.87