#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nx7 s VAL 4 N 0.00 0.00 -0.51 0.00 0.11 -1.26 -5.04 120.40 113.71 1nx7 s VAL 4 Ca 0.00 -0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 1nx7 s VAL 4 Cb 0.00 -0.94 0.10 0.00 -1.53 0.00 0.00 36.38 34.00 1nx7 s VAL 4 CO 0.00 -0.02 0.46 -0.54 -3.33 0.00 0.00 175.10 171.67 1nx7 s LYS 5 N -0.50 2.99 -0.50 1.54 1.02 -1.25 -5.00 119.74 118.05 1nx7 s LYS 5 Ca -0.06 -1.47 -0.27 0.00 0.02 0.00 0.00 55.97 54.18 1nx7 s LYS 5 Cb -0.02 -4.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.06 1nx7 s LYS 5 CO 0.05 -1.18 1.83 0.71 -0.92 0.00 0.00 175.35 175.85 1nx7 s TYR 6 N 1.71 1.73 -0.05 3.18 2.02 -1.26 -1.50 117.35 123.18 1nx7 s TYR 6 Ca 0.04 0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 57.49 1nx7 s TYR 6 Cb -0.26 -4.10 -0.04 0.00 -0.40 0.00 0.00 41.96 37.16 1nx7 s TYR 6 CO 0.05 -2.51 0.02 0.71 -1.57 0.00 0.00 175.55 172.26 1nx7 s TYR 7 N 8.23 3.18 0.42 2.71 2.02 0.21 -4.53 117.35 129.59 1nx7 s TYR 7 Ca 0.72 0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 57.58 1nx7 s TYR 7 Cb -0.16 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1nx7 s TYR 7 CO 0.26 0.49 0.66 -0.08 -1.57 0.00 0.00 175.55 175.31 1nx7 s THR 8 N -1.01 4.76 0.35 -0.71 -1.32 -1.26 -0.44 115.64 116.01 1nx7 s THR 8 Ca 0.17 -0.25 0.16 0.00 -1.21 0.00 0.00 61.69 60.56 1nx7 s THR 8 Cb -0.12 -3.77 0.34 0.00 -1.51 0.00 0.00 72.50 67.45 1nx7 s THR 8 CO 0.07 -0.60 1.62 -0.07 -2.21 0.00 0.00 174.62 173.43 1nx7 h LEU 9 N 0.48 0.33 -0.05 9.08 3.38 -1.96 -0.33 115.31 126.24 1nx7 h LEU 9 Ca -0.48 0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1nx7 h LEU 9 Cb 1.22 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 1nx7 h LEU 9 CO 0.61 -0.29 -0.33 -0.08 0.09 0.00 0.00 178.44 178.44 1nx7 h GLU 10 N 0.15 -0.36 -0.88 1.13 4.57 -1.97 0.49 114.58 117.72 1nx7 h GLU 10 Ca 0.77 0.02 0.23 0.00 -1.18 0.00 0.00 59.36 59.20 1nx7 h GLU 10 Cb 1.87 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 30.40 1nx7 h GLU 10 CO -0.70 -0.24 0.19 0.93 -1.18 0.00 0.00 179.01 178.01 1nx7 h GLU 11 N -0.38 0.17 -0.40 1.92 4.39 -1.46 0.20 114.58 119.02 1nx7 h GLU 11 Ca 0.01 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1nx7 h GLU 11 Cb 0.42 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1nx7 h GLU 11 CO -0.25 0.11 -0.16 0.82 -1.16 0.00 0.00 179.01 178.37 1nx7 h ILE 12 N 0.17 1.28 -0.28 3.13 5.03 -0.80 -3.29 117.51 122.75 1nx7 h ILE 12 Ca 0.54 -1.28 -0.07 0.00 -0.12 0.00 0.00 64.86 63.94 1nx7 h ILE 12 Cb 1.10 1.25 -0.02 0.00 -3.03 0.00 0.00 36.82 36.12 1nx7 h ILE 12 CO -0.68 0.43 -0.11 -0.61 -0.68 0.00 0.00 178.15 176.50 1nx7 h GLN 13 N 0.63 0.47 0.00 2.37 4.15 0.30 0.25 115.11 123.29 1nx7 h GLN 13 Ca 0.10 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1nx7 h GLN 13 Cb 0.70 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1nx7 h GLN 13 CO 0.05 0.58 0.00 0.87 -1.93 0.00 0.00 178.83 178.40 1nx7 h LYS 14 N 0.44 0.00 -2.73 1.69 1.57 -1.28 -3.38 116.57 112.88 1nx7 h LYS 14 Ca 0.08 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.25 1nx7 h LYS 14 Cb 0.46 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.35 1nx7 h LYS 14 CO 0.03 0.00 -0.60 0.72 -0.57 0.00 0.00 179.45 179.03 1nx7 n HIS 15 N -2.51 3.22 -2.01 -1.35 8.25 0.89 -4.72 115.22 117.00 1nx7 n HIS 15 Ca -0.01 -4.22 -0.06 0.00 -0.26 0.00 0.00 57.72 53.17 1nx7 n HIS 15 Cb 0.08 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.56 1nx7 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1nx7 n ASN 16 N 1.58 -0.80 -1.13 0.41 6.94 0.11 -0.65 115.26 121.71 1nx7 n ASN 16 Ca 0.24 -1.83 0.00 0.00 -0.02 0.00 0.00 54.58 52.97 1nx7 n ASN 16 Cb 0.38 0.24 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1nx7 n ASN 17 N 0.01 0.00 -0.36 0.53 3.02 0.63 -4.90 115.26 114.18 1nx7 n ASN 17 Ca -0.23 -0.48 0.28 0.00 -0.03 0.00 0.00 54.58 54.13 1nx7 n ASN 17 Cb 0.67 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.38 1nx7 n ASN 17 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1nx7 h SER 18 N 0.00 0.41 0.00 6.41 0.02 -2.01 -3.32 113.55 115.06 1nx7 h SER 18 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1nx7 h SER 18 Cb 0.00 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1nx7 h SER 18 CO 0.00 -0.16 -0.37 1.17 -1.14 0.00 0.00 176.83 176.34 1nx7 n LYS 19 N -4.92 0.00 -1.44 3.45 4.81 -1.26 -5.06 118.16 113.74 1nx7 n LYS 19 Ca 0.33 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.32 1nx7 n LYS 19 Cb 1.14 -0.39 -0.14 0.00 0.02 0.00 0.00 35.03 35.65 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1nx7 n SER 20 N -3.22 0.46 -3.76 3.14 7.64 -1.25 -4.57 113.62 112.07 1nx7 n SER 20 Ca 0.00 0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 1nx7 n SER 20 Cb 0.18 -0.93 -0.15 0.00 -1.01 0.00 0.00 64.21 62.29 1nx7 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nx7 s THR 21 N 8.35 0.85 0.13 0.44 2.01 -1.25 -0.27 115.64 125.90 1nx7 s THR 21 Ca 1.31 -1.15 0.04 0.00 0.31 0.00 0.00 61.69 62.20 1nx7 s THR 21 Cb -1.29 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1nx7 s THR 21 CO 0.52 -0.49 0.12 0.26 -0.69 0.00 0.00 174.62 174.35 1nx7 s TRP 22 N 1.66 3.18 0.28 4.92 0.52 0.17 -0.77 118.94 128.91 1nx7 s TRP 22 Ca 0.05 0.03 -0.16 0.00 0.02 0.00 0.00 56.10 56.03 1nx7 s TRP 22 Cb -0.17 -1.56 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1nx7 s TRP 22 CO -0.19 0.52 0.63 -0.48 0.02 0.00 0.00 176.95 177.45 1nx7 s LEU 23 N -2.85 0.05 -0.17 2.99 0.05 -0.75 -0.32 118.68 117.68 1nx7 s LEU 23 Ca 0.31 -0.84 0.01 0.00 0.05 0.00 0.00 54.13 53.66 1nx7 s LEU 23 Cb -0.11 2.32 0.02 0.00 -2.05 0.00 0.00 46.19 46.37 1nx7 s LEU 23 CO 0.23 -1.31 -0.20 -0.63 -0.55 0.00 0.00 176.35 173.89 1nx7 s ILE 24 N -3.73 2.01 -0.58 1.48 1.01 -0.26 -0.39 121.20 120.75 1nx7 s ILE 24 Ca 0.17 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1nx7 s ILE 24 Cb -0.04 -1.81 0.15 0.00 0.01 0.00 0.00 42.46 40.76 1nx7 s ILE 24 CO 0.09 0.53 0.35 -0.76 0.00 0.00 0.00 174.94 175.15 1nx7 s LEU 25 N 1.21 4.35 -0.44 2.97 1.02 0.32 -0.21 118.68 127.89 1nx7 s LEU 25 Ca 0.02 -3.31 -0.01 0.00 0.02 0.00 0.00 54.13 50.85 1nx7 s LEU 25 Cb -0.14 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.48 1nx7 s LEU 25 CO -0.10 -0.18 0.40 1.41 0.02 0.00 0.00 176.35 177.90 1nx7 n HIS 26 N 2.70 -1.42 0.00 0.29 8.25 -1.26 -3.54 115.22 120.24 1nx7 n HIS 26 Ca 0.11 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1nx7 n HIS 26 Cb 0.34 -3.04 0.00 0.00 1.12 0.00 0.00 29.99 28.40 1nx7 n HIS 26 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1nx7 n TYR 27 N -1.80 0.00 -3.16 4.41 9.36 -1.26 -4.94 117.16 119.77 1nx7 n TYR 27 Ca -0.01 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.84 1nx7 n TYR 27 Cb 0.52 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.18 1nx7 n TYR 27 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1nx7 s LYS 28 N 0.00 4.20 -0.22 2.98 1.02 -1.23 0.11 119.74 126.60 1nx7 s LYS 28 Ca 0.00 0.79 -0.06 0.00 0.02 0.00 0.00 55.97 56.72 1nx7 s LYS 28 Cb 0.00 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1nx7 s LYS 28 CO 0.00 0.43 0.03 0.08 -0.92 0.00 0.00 175.35 174.97 1nx7 s VAL 29 N -1.47 4.09 -0.20 3.17 1.01 0.77 -0.52 120.40 127.24 1nx7 s VAL 29 Ca 0.41 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1nx7 s VAL 29 Cb -0.17 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1nx7 s VAL 29 CO 0.21 0.39 0.01 -0.31 0.00 0.00 0.00 175.10 175.39 1nx7 s TYR 30 N 1.31 3.05 -0.91 5.22 1.51 0.48 -1.64 117.35 126.38 1nx7 s TYR 30 Ca 0.04 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 1nx7 s TYR 30 Cb -0.15 -2.10 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 1nx7 s TYR 30 CO 0.02 -0.24 2.69 -0.40 -1.11 0.00 0.00 175.55 176.51 1nx7 n ASP 31 N 4.29 7.28 0.00 2.29 5.75 0.12 -1.81 116.55 134.47 1nx7 n ASP 31 Ca -0.17 -3.06 0.09 0.00 -0.01 0.00 0.00 54.79 51.65 1nx7 n ASP 31 Cb 0.52 -1.34 0.53 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.63 0.00 -0.13 -2.12 4.77 0.05 -3.90 117.00 117.30 1nx7 n LEU 32 Ca 0.57 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.73 1nx7 n LEU 32 Cb 0.42 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1nx7 n LEU 32 CO 0.52 -0.05 0.28 0.41 -1.33 0.00 0.00 177.39 177.21 1nx7 n THR 33 N -1.14 -0.16 0.05 -5.08 -1.04 -0.07 0.63 114.28 107.46 1nx7 n THR 33 Ca 0.12 0.84 -0.20 0.00 -2.04 0.00 0.00 64.05 62.77 1nx7 n THR 33 Cb 0.11 -1.20 -0.15 0.00 -1.82 0.00 0.00 70.33 67.27 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 0.31 0.00 -2.82 2.10 -1.89 -3.38 116.57 110.88 1nx7 h LYS 34 Ca 0.21 -0.53 -0.03 0.00 -2.00 0.00 0.00 60.65 58.29 1nx7 h LYS 34 Cb 0.38 0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1nx7 h LYS 34 CO -0.37 1.25 -0.16 0.35 -2.00 0.00 0.00 179.45 178.52 1nx7 h PHE 35 N -0.34 0.00 -0.71 0.07 3.57 -0.06 -2.44 116.94 117.03 1nx7 h PHE 35 Ca -0.16 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.48 1nx7 h PHE 35 Cb 1.69 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 40.29 1nx7 h PHE 35 CO 0.19 0.16 -0.19 1.28 -2.23 0.00 0.00 178.31 177.52 1nx7 n LEU 36 N -3.72 -0.27 0.14 0.59 4.77 -0.07 -0.38 117.00 118.06 1nx7 n LEU 36 Ca -0.02 1.23 0.05 0.00 -0.03 0.00 0.00 56.01 57.24 1nx7 n LEU 36 Cb 0.28 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1nx7 n LEU 36 CO 0.32 -1.17 0.40 -0.33 -1.33 0.00 0.00 177.39 175.28 1nx7 h GLU 37 N 0.00 0.00 0.14 3.23 5.08 -1.73 -3.04 114.58 118.26 1nx7 h GLU 37 Ca 0.34 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.41 1nx7 h GLU 37 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1nx7 h GLU 37 CO -0.73 0.34 -1.40 0.93 -1.00 0.00 0.00 179.01 177.15 1nx7 h GLU 38 N 0.00 0.29 -6.46 2.33 5.08 -1.10 -3.49 114.58 111.23 1nx7 h GLU 38 Ca -0.03 -0.49 -0.58 0.00 -1.00 0.00 0.00 59.36 57.27 1nx7 h GLU 38 Cb 1.31 0.18 0.05 0.00 0.50 0.00 0.00 28.75 30.79 1nx7 h GLU 38 CO 0.05 1.23 0.94 1.58 -1.00 0.00 0.00 179.01 181.81 1nx7 n HIS 39 N -3.89 2.38 0.14 4.33 -0.00 0.49 -4.91 115.22 113.77 1nx7 n HIS 39 Ca -0.23 0.11 0.11 0.00 0.46 0.00 0.00 57.72 58.17 1nx7 n HIS 39 Cb 0.93 -2.62 0.62 0.00 -0.12 0.00 0.00 29.99 28.80 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 7.24 0.08 -0.79 1.57 0.13 -1.93 0.83 132.00 139.13 1nx7 h PRO 40 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nx7 h PRO 40 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 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 -1.56 1.50 7.00 1.56 0.00 -1.26 -5.03 105.19 107.40 1nx7 n GLY 41 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.23 -1.52 0.12 -0.02 0.00 0.28 -4.55 105.19 99.74 1nx7 n GLY 42 Ca 0.06 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1nx7 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nx7 n GLU 43 N -0.88 0.58 -0.19 1.61 0.00 -1.15 -4.60 120.64 116.01 1nx7 n GLU 43 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 57.16 57.56 1nx7 n GLU 43 Cb 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 31.44 29.87 1nx7 n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1nx7 h GLU 44 N -1.00 -0.04 -0.79 3.44 4.57 -1.90 0.22 114.58 119.09 1nx7 h GLU 44 Ca -0.53 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 57.81 1nx7 h GLU 44 Cb 1.47 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.96 1nx7 h GLU 44 CO -0.32 -0.03 0.32 -0.39 -1.18 0.00 0.00 179.01 177.41 1nx7 h VAL 45 N -0.04 0.61 0.04 0.32 -1.51 -1.83 0.25 116.25 114.09 1nx7 h VAL 45 Ca 0.28 -0.15 -0.15 0.00 -1.23 0.00 0.00 66.70 65.44 1nx7 h VAL 45 Cb 0.46 0.14 0.01 0.00 -2.13 0.00 0.00 31.29 29.78 1nx7 h VAL 45 CO -0.62 0.08 -0.63 -0.07 -1.23 0.00 0.00 177.57 175.10 1nx7 h LEU 46 N 0.43 0.49 -0.88 4.19 3.38 -0.95 -2.87 115.31 119.10 1nx7 h LEU 46 Ca 0.45 -0.82 0.13 0.00 0.09 0.00 0.00 57.88 57.73 1nx7 h LEU 46 Cb 0.73 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1nx7 h LEU 46 CO -0.44 1.25 0.50 -0.09 0.09 0.00 0.00 178.44 179.75 1nx7 h ARG 47 N -0.22 0.73 -0.52 1.13 2.43 -0.11 0.54 114.38 118.36 1nx7 h ARG 47 Ca -0.09 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1nx7 h ARG 47 Cb 1.38 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1nx7 h ARG 47 CO 0.12 0.48 0.24 0.93 -1.51 0.00 0.00 179.97 180.24 1nx7 h GLU 48 N 0.75 0.76 0.00 0.20 5.08 -0.57 -2.60 114.58 118.20 1nx7 h GLU 48 Ca 0.46 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1nx7 h GLU 48 Cb 0.55 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1nx7 h GLU 48 CO -0.31 0.64 -0.26 1.96 -1.00 0.00 0.00 179.01 180.04 1nx7 h GLN 49 N 0.70 0.00 -6.16 2.33 1.08 -1.00 -3.47 115.11 108.59 1nx7 h GLN 49 Ca 0.18 0.00 -0.74 0.00 -1.45 0.00 0.00 58.65 56.64 1nx7 h GLN 49 Cb 0.14 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1nx7 h GLN 49 CO -0.02 0.26 0.71 0.00 -0.95 0.00 0.00 178.83 178.83 1nx7 n ALA 50 N -2.30 -0.70 -2.00 3.87 0.00 0.18 -1.61 120.51 117.94 1nx7 n ALA 50 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1nx7 n ALA 50 Cb 0.39 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 3.57 0.89 3.68 0.00 0.00 0.57 -4.67 105.19 109.23 1nx7 n GLY 51 Ca 0.24 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.84 -0.34 -0.04 -0.02 0.00 -0.63 -4.26 107.32 99.19 1nx7 s GLY 52 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 1nx7 s GLY 52 CO 0.00 0.27 1.87 0.51 0.00 0.00 0.00 173.10 175.76 1nx7 s ASP 53 N -3.00 6.39 -0.17 1.64 -4.77 -1.26 -1.10 116.67 114.39 1nx7 s ASP 53 Ca 0.14 2.36 0.16 0.00 -3.30 0.00 0.00 52.55 51.91 1nx7 s ASP 53 Cb 0.03 -2.53 0.42 0.00 -1.09 0.00 0.00 42.92 39.75 1nx7 s ASP 53 CO -0.02 -1.14 1.30 0.00 0.70 0.00 0.00 175.17 176.01 1nx7 n ALA 54 N 7.99 2.89 -0.20 2.11 0.00 0.71 -4.57 120.51 129.43 1nx7 n ALA 54 Ca 0.20 -2.60 0.01 0.00 0.00 0.00 0.00 53.44 51.05 1nx7 n ALA 54 Cb 0.42 -0.56 0.11 0.00 0.00 0.00 0.00 19.45 19.43 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 0.92 0.59 0.00 0.00 2.02 -1.12 0.39 112.91 115.71 1nx7 h THR 55 Ca 0.03 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1nx7 h THR 55 Cb 1.26 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1nx7 h THR 55 CO 0.14 0.04 0.00 1.21 0.37 0.00 0.00 175.52 177.28 1nx7 n GLU 56 N -5.17 0.00 -0.26 6.66 2.13 -1.26 -0.73 120.64 122.01 1nx7 n GLU 56 Ca 0.09 0.64 -0.05 0.00 0.66 0.00 0.00 57.16 58.50 1nx7 n GLU 56 Cb 0.34 -1.03 0.05 0.00 0.27 0.00 0.00 31.44 31.08 1nx7 n GLU 56 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1nx7 h ASN 57 N 0.00 0.88 -0.69 4.31 2.35 -1.68 0.28 115.58 121.03 1nx7 h ASN 57 Ca 0.00 -0.08 0.15 0.00 -0.55 0.00 0.00 56.30 55.82 1nx7 h ASN 57 Cb 0.00 -0.22 -0.11 0.00 0.05 0.00 0.00 38.32 38.04 1nx7 h ASN 57 CO 0.00 0.70 0.12 0.15 -1.65 0.00 0.00 177.43 176.75 1nx7 h PHE 58 N 0.98 0.18 0.04 1.19 3.57 -0.51 -1.36 116.94 121.02 1nx7 h PHE 58 Ca 0.25 0.04 -0.30 0.00 3.53 0.00 0.00 57.97 61.50 1nx7 h PHE 58 Cb 0.00 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1nx7 h PHE 58 CO -0.01 -0.10 -1.66 0.93 -2.23 0.00 0.00 178.31 175.24 1nx7 h GLU 59 N 0.23 0.08 0.07 1.11 4.39 0.24 0.43 114.58 121.12 1nx7 h GLU 59 Ca 0.38 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1nx7 h GLU 59 Cb 0.63 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1nx7 h GLU 59 CO -0.50 0.74 -0.03 0.22 -1.16 0.00 0.00 179.01 178.28 1nx7 h ASP 60 N 0.02 -0.08 -0.30 1.42 3.58 -0.46 -2.41 116.42 118.20 1nx7 h ASP 60 Ca -0.27 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 56.94 1nx7 h ASP 60 Cb 1.99 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 43.04 1nx7 h ASP 60 CO 0.10 0.13 -0.01 0.58 -2.88 0.00 0.00 179.24 177.16 1nx7 h VAL 61 N -0.28 1.22 -2.10 2.25 2.07 -1.36 -3.48 116.25 114.58 1nx7 h VAL 61 Ca -0.01 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1nx7 h VAL 61 Cb 0.24 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1nx7 h VAL 61 CO 0.01 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1nx7 n GLY 62 N -0.75 0.64 3.69 2.17 0.00 -0.00 -4.95 105.19 105.98 1nx7 n GLY 62 Ca 0.02 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.05 2.53 -1.23 1.61 8.25 -0.35 -4.93 115.22 120.05 1nx7 n HIS 63 Ca 0.00 -0.04 -0.37 0.00 -0.26 0.00 0.00 57.72 57.05 1nx7 n HIS 63 Cb 0.44 -2.68 0.04 0.00 1.12 0.00 0.00 29.99 28.90 1nx7 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1nx7 n SER 64 N 5.28 -2.90 -0.25 0.41 7.64 -1.26 -4.47 113.62 118.07 1nx7 n SER 64 Ca 0.18 0.56 -0.12 0.00 1.01 0.00 0.00 58.87 60.50 1nx7 n SER 64 Cb 0.34 -1.00 -0.09 0.00 -1.01 0.00 0.00 64.21 62.45 1nx7 n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1nx7 h THR 65 N -0.30 0.00 -0.96 0.44 2.02 -1.99 0.21 112.91 112.33 1nx7 h THR 65 Ca -0.44 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.03 1nx7 h THR 65 Cb 1.38 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.62 1nx7 h THR 65 CO 0.39 0.00 0.18 0.44 0.37 0.00 0.00 175.52 176.90 1nx7 h ASP 66 N -0.24 -0.20 0.54 4.18 5.19 -1.98 0.11 116.42 124.02 1nx7 h ASP 66 Ca 0.11 0.25 -0.21 0.00 -0.62 0.00 0.00 57.03 56.57 1nx7 h ASP 66 Cb 0.53 0.38 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 1nx7 h ASP 66 CO -0.73 -0.31 -0.92 0.00 -3.12 0.00 0.00 179.24 174.16 1nx7 h ALA 67 N 1.93 0.46 0.17 3.45 0.00 -1.04 0.22 119.26 124.44 1nx7 h ALA 67 Ca 0.63 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nx7 h ALA 67 Cb 1.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1nx7 h ALA 67 CO -0.82 0.91 -0.12 -0.09 0.00 0.00 0.00 179.25 179.13 1nx7 h ARG 68 N 0.13 -0.28 -0.27 0.00 2.43 0.78 0.12 114.38 117.29 1nx7 h ARG 68 Ca -0.06 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1nx7 h ARG 68 Cb 1.55 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 1nx7 h ARG 68 CO 0.14 -0.19 -0.37 0.93 -1.51 0.00 0.00 179.97 178.98 1nx7 h GLU 69 N -0.29 0.60 -0.27 0.20 4.39 -0.57 -2.16 114.58 116.48 1nx7 h GLU 69 Ca -0.01 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 1nx7 h GLU 69 Cb 0.26 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1nx7 h GLU 69 CO -0.00 0.87 0.14 1.25 -1.16 0.00 0.00 179.01 180.11 1nx7 h LEU 70 N 0.50 0.34 -1.76 1.33 5.85 -0.54 -3.27 115.31 117.76 1nx7 h LEU 70 Ca 0.05 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.78 1nx7 h LEU 70 Cb 0.86 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1nx7 h LEU 70 CO 0.07 0.34 0.39 0.77 -0.34 0.00 0.00 178.44 179.67 1nx7 h SER 71 N 0.31 0.24 -0.51 1.25 4.64 -0.08 -1.32 113.55 118.09 1nx7 h SER 71 Ca 0.09 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.51 1nx7 h SER 71 Cb 0.09 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1nx7 h SER 71 CO -0.01 0.14 0.35 0.11 -0.87 0.00 0.00 176.83 176.54 1nx7 h LYS 72 N 0.27 0.32 0.00 4.77 1.57 -1.60 0.10 116.57 122.00 1nx7 h LYS 72 Ca 0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1nx7 h LYS 72 Cb 0.69 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nx7 h LYS 72 CO -0.06 0.21 0.00 1.79 -0.57 0.00 0.00 179.45 180.82 1nx7 h THR 73 N 0.33 0.00 -0.51 -0.16 1.35 -1.43 -2.02 112.91 110.46 1nx7 h THR 73 Ca 0.23 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1nx7 h THR 73 Cb 0.49 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1nx7 h THR 73 CO -0.05 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.71 1nx7 n PHE 74 N -2.35 0.72 -2.49 4.73 3.72 0.36 -4.98 117.46 117.17 1nx7 n PHE 74 Ca -0.01 -0.51 -0.42 0.00 -0.05 0.00 0.00 57.45 56.46 1nx7 n PHE 74 Cb 0.09 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.08 4.08 -0.04 4.37 1.01 -0.76 -0.70 121.20 128.08 1nx7 s ILE 75 Ca 0.35 1.60 0.04 0.00 0.00 0.00 0.00 60.65 62.64 1nx7 s ILE 75 Cb 0.19 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 1nx7 s ILE 75 CO 0.23 0.18 0.03 2.30 0.00 0.00 0.00 174.94 177.68 1nx7 n ILE 76 N 3.33 0.28 -2.96 2.92 -5.35 -0.65 -4.92 119.36 112.01 1nx7 n ILE 76 Ca 0.06 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1nx7 n ILE 76 Cb 0.47 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 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 1.56 3.61 3.28 0.00 -1.22 -3.84 105.19 111.23 1nx7 n GLY 77 Ca -0.07 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.38 1.44 -0.05 1.61 2.02 -0.56 -0.16 118.70 122.61 1nx7 s GLU 78 Ca 0.00 -0.67 -0.33 0.00 0.02 0.00 0.00 54.97 53.99 1nx7 s GLU 78 Cb 0.00 0.58 -0.11 0.00 0.10 0.00 0.00 34.13 34.69 1nx7 s GLU 78 CO 0.00 -0.65 1.90 -0.11 0.02 0.00 0.00 175.26 176.42 1nx7 n LEU 79 N -0.41 3.61 -4.54 1.80 7.94 0.12 0.67 117.00 126.19 1nx7 n LEU 79 Ca -0.11 0.96 -0.54 0.00 -1.11 0.00 0.00 56.01 55.21 1nx7 n LEU 79 Cb 0.62 -1.41 -0.06 0.00 0.53 0.00 0.00 43.42 43.10 1nx7 n LEU 79 CO 0.13 0.00 0.71 1.57 -1.11 0.00 0.00 177.39 178.70 1nx7 n HIS 80 N 6.77 1.06 0.25 1.96 -0.00 0.42 -4.73 115.22 120.95 1nx7 n HIS 80 Ca 0.22 0.83 0.01 0.00 -0.00 0.00 0.00 57.72 58.78 1nx7 n HIS 80 Cb 0.32 -2.21 0.06 0.00 -0.00 0.00 0.00 29.99 28.16 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 1.96 0.13 0.00 1.57 -0.04 -1.26 -0.96 135.00 136.40 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 -1.26 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 -3.47 -0.04 0.00 0.00 175.50 171.99 1nx7 n ASP 82 N -0.76 3.24 0.05 3.54 2.03 -1.26 -4.75 116.55 118.64 1nx7 n ASP 82 Ca 0.02 -0.17 -0.14 0.00 0.52 0.00 0.00 54.79 55.01 1nx7 n ASP 82 Cb 0.01 0.99 -0.14 0.00 -0.72 0.00 0.00 41.12 41.26 1nx7 n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1nx7 h ASP 83 N 0.00 0.27 0.00 1.67 3.58 -1.40 -3.53 116.42 117.02 1nx7 h ASP 83 Ca 0.00 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1nx7 h ASP 83 Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1nx7 h ASP 83 CO 0.00 1.31 0.00 -2.11 -2.88 0.00 0.00 179.24 175.56