#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 2.09 -0.60 0.00 0.11 -1.26 -5.00 120.40 115.73 1nx7 s VAL 4 Ca 0.00 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1nx7 s VAL 4 Cb 0.00 -3.03 0.15 0.00 -1.53 0.00 0.00 36.38 31.97 1nx7 s VAL 4 CO 0.00 0.00 0.51 -0.54 -3.33 0.00 0.00 175.10 171.74 1nx7 s LYS 5 N -2.81 2.92 -0.23 1.54 1.02 -1.25 -4.99 119.74 115.93 1nx7 s LYS 5 Ca 0.69 -2.04 -0.29 0.00 0.02 0.00 0.00 55.97 54.35 1nx7 s LYS 5 Cb -0.41 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 32.74 1nx7 s LYS 5 CO 0.49 -1.25 1.90 0.71 -0.92 0.00 0.00 175.35 176.28 1nx7 s TYR 6 N 0.91 1.63 -0.05 3.18 2.02 -1.26 -1.94 117.35 121.85 1nx7 s TYR 6 Ca 0.10 0.47 0.05 0.00 -0.37 0.00 0.00 57.07 57.31 1nx7 s TYR 6 Cb -0.22 -4.05 -0.02 0.00 -0.40 0.00 0.00 41.96 37.27 1nx7 s TYR 6 CO -0.02 -3.55 -0.17 0.71 -1.57 0.00 0.00 175.55 170.94 1nx7 s TYR 7 N 6.65 2.61 0.46 2.71 2.02 0.18 -4.67 117.35 127.31 1nx7 s TYR 7 Ca 0.85 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 57.25 1nx7 s TYR 7 Cb -0.28 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1nx7 s TYR 7 CO 0.34 0.11 0.75 -0.08 -1.57 0.00 0.00 175.55 175.09 1nx7 s THR 8 N -0.65 4.94 0.36 -0.71 -1.32 -1.26 -0.52 115.64 116.47 1nx7 s THR 8 Ca 0.10 0.10 0.17 0.00 -1.21 0.00 0.00 61.69 60.85 1nx7 s THR 8 Cb -0.11 -3.86 0.36 0.00 -1.51 0.00 0.00 72.50 67.38 1nx7 s THR 8 CO 0.00 -0.80 1.58 -0.07 -2.21 0.00 0.00 174.62 173.13 1nx7 h LEU 9 N 0.34 0.18 -0.55 9.08 3.38 -1.97 0.17 115.31 125.94 1nx7 h LEU 9 Ca -0.47 0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1nx7 h LEU 9 Cb 1.21 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 1nx7 h LEU 9 CO 0.62 -0.41 -0.48 -0.08 0.09 0.00 0.00 178.44 178.17 1nx7 h GLU 10 N 0.01 -0.20 -0.82 1.13 4.57 -1.96 0.13 114.58 117.45 1nx7 h GLU 10 Ca 0.80 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 59.13 1nx7 h GLU 10 Cb 2.04 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 30.58 1nx7 h GLU 10 CO -0.79 -0.13 0.41 0.93 -1.18 0.00 0.00 179.01 178.25 1nx7 h GLU 11 N -0.20 0.59 -0.33 1.92 3.07 -1.04 -1.04 114.58 117.56 1nx7 h GLU 11 Ca 0.09 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 1nx7 h GLU 11 Cb 0.44 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1nx7 h GLU 11 CO -0.62 0.39 -0.24 0.82 -1.40 0.00 0.00 179.01 177.96 1nx7 h ILE 12 N 0.61 1.27 -0.11 3.13 5.03 -1.10 -3.29 117.51 123.04 1nx7 h ILE 12 Ca 0.44 -1.33 -0.07 0.00 -0.12 0.00 0.00 64.86 63.78 1nx7 h ILE 12 Cb 0.60 1.28 -0.01 0.00 -3.03 0.00 0.00 36.82 35.66 1nx7 h ILE 12 CO -0.35 0.43 -0.26 -0.61 -0.68 0.00 0.00 178.15 176.68 1nx7 h GLN 13 N 0.57 0.20 0.00 2.37 4.15 0.62 0.24 115.11 123.26 1nx7 h GLN 13 Ca 0.08 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1nx7 h GLN 13 Cb 0.72 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1nx7 h GLN 13 CO 0.06 0.45 0.00 0.87 -1.93 0.00 0.00 178.83 178.28 1nx7 h LYS 14 N 0.18 0.00 -3.05 1.69 1.57 -1.60 -3.37 116.57 111.99 1nx7 h LYS 14 Ca 0.03 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.19 1nx7 h LYS 14 Cb 0.56 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.46 1nx7 h LYS 14 CO 0.04 0.00 -0.61 -1.01 -0.57 0.00 0.00 179.45 177.30 1nx7 s HIS 15 N -3.91 3.36 0.00 -1.35 3.76 0.86 -4.84 115.29 113.17 1nx7 s HIS 15 Ca -0.03 -3.25 0.00 0.00 -0.15 0.00 0.00 55.06 51.63 1nx7 s HIS 15 Cb 0.11 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 31.22 1nx7 s HIS 15 CO 0.42 -0.58 0.80 0.27 -0.85 0.00 0.00 174.74 174.80 1nx7 n ASN 16 N 2.11 0.00 -3.67 1.40 6.94 0.35 -0.43 115.26 121.96 1nx7 n ASN 16 Ca 0.20 -1.63 -0.18 0.00 -0.02 0.00 0.00 54.58 52.95 1nx7 n ASN 16 Cb 0.36 -0.13 -0.09 0.00 -2.36 0.00 0.00 39.78 37.56 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1nx7 s ASN 17 N -0.63 1.39 0.37 0.53 0.02 -0.18 -4.74 114.94 111.71 1nx7 s ASN 17 Ca 0.00 -1.65 0.13 0.00 -1.02 0.00 0.00 52.86 50.32 1nx7 s ASN 17 Cb 0.00 0.49 0.95 0.00 0.02 0.00 0.00 41.25 42.71 1nx7 s ASN 17 CO 0.00 -0.98 1.82 -1.28 0.02 0.00 0.00 177.10 176.68 1nx7 h SER 18 N 2.23 0.56 -0.91 -1.22 0.87 -1.99 0.29 113.55 113.38 1nx7 h SER 18 Ca -0.29 0.06 0.26 0.00 -1.23 0.00 0.00 61.79 60.59 1nx7 h SER 18 Cb 1.24 -0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 63.01 1nx7 h SER 18 CO 0.43 0.21 0.23 0.07 -0.53 0.00 0.00 176.83 177.25 1nx7 h LYS 19 N 0.55 0.16 -0.53 2.24 2.10 -1.99 -3.42 116.57 115.68 1nx7 h LYS 19 Ca 0.52 -0.01 0.23 0.00 -2.00 0.00 0.00 60.65 59.39 1nx7 h LYS 19 Cb 1.08 -0.04 -0.28 0.00 -0.90 0.00 0.00 32.23 32.10 1nx7 h LYS 19 CO -0.26 0.10 0.51 0.45 -2.00 0.00 0.00 179.45 178.25 1nx7 s SER 20 N -5.02 -0.18 -0.26 7.07 0.15 0.07 -5.06 113.70 110.46 1nx7 s SER 20 Ca -0.12 0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.81 1nx7 s SER 20 Cb 0.27 1.18 0.05 0.00 -1.71 0.00 0.00 66.02 65.82 1nx7 s SER 20 CO 0.77 -0.04 -0.10 -0.89 1.20 0.00 0.00 173.24 174.19 1nx7 s THR 21 N 1.91 2.33 0.17 6.45 2.01 -1.06 -0.50 115.64 126.95 1nx7 s THR 21 Ca -0.02 -1.50 0.08 0.00 0.31 0.00 0.00 61.69 60.55 1nx7 s THR 21 Cb -0.02 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1nx7 s THR 21 CO -0.15 0.02 -0.03 0.26 -0.69 0.00 0.00 174.62 174.03 1nx7 s TRP 22 N 1.15 2.79 0.28 4.92 0.52 0.43 -0.58 118.94 128.45 1nx7 s TRP 22 Ca -0.07 -0.16 -0.19 0.00 0.02 0.00 0.00 56.10 55.71 1nx7 s TRP 22 Cb -0.19 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 1nx7 s TRP 22 CO -0.05 0.51 0.66 -0.48 0.02 0.00 0.00 176.95 177.61 1nx7 s LEU 23 N -2.87 -0.10 -0.16 2.99 0.05 -0.82 -0.32 118.68 117.46 1nx7 s LEU 23 Ca 0.26 -0.72 0.01 0.00 0.05 0.00 0.00 54.13 53.74 1nx7 s LEU 23 Cb -0.09 2.49 0.02 0.00 -2.05 0.00 0.00 46.19 46.55 1nx7 s LEU 23 CO 0.17 -1.31 -0.19 -0.63 -0.55 0.00 0.00 176.35 173.84 1nx7 s ILE 24 N -3.87 1.95 -0.51 1.48 1.01 -0.30 -0.38 121.20 120.58 1nx7 s ILE 24 Ca 0.14 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1nx7 s ILE 24 Cb -0.05 -1.76 0.13 0.00 0.01 0.00 0.00 42.46 40.80 1nx7 s ILE 24 CO 0.08 0.52 0.26 -0.76 0.00 0.00 0.00 174.94 175.04 1nx7 s LEU 25 N 1.17 3.98 -0.67 2.97 1.02 0.20 -0.29 118.68 127.06 1nx7 s LEU 25 Ca 0.01 -2.96 -0.01 0.00 0.02 0.00 0.00 54.13 51.20 1nx7 s LEU 25 Cb -0.14 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.56 1nx7 s LEU 25 CO -0.09 -0.23 0.64 1.41 0.02 0.00 0.00 176.35 178.10 1nx7 n HIS 26 N 3.16 -2.78 0.00 0.29 8.25 -1.26 -3.67 115.22 119.21 1nx7 n HIS 26 Ca 0.06 1.06 0.00 0.00 -0.26 0.00 0.00 57.72 58.58 1nx7 n HIS 26 Cb 0.33 -3.92 0.00 0.00 1.12 0.00 0.00 29.99 27.52 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 -1.65 0.00 -3.13 4.41 9.36 -1.26 -4.94 117.16 119.95 1nx7 n TYR 27 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 1nx7 n TYR 27 Cb 0.50 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.15 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 4.00 -0.19 2.98 1.02 -1.24 0.08 119.74 126.38 1nx7 s LYS 28 Ca 0.00 0.67 -0.04 0.00 0.02 0.00 0.00 55.97 56.62 1nx7 s LYS 28 Cb 0.00 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1nx7 s LYS 28 CO 0.00 0.15 -0.03 0.08 -0.92 0.00 0.00 175.35 174.62 1nx7 s VAL 29 N -2.00 3.64 -0.19 3.17 1.01 0.78 -0.63 120.40 126.18 1nx7 s VAL 29 Ca 0.54 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1nx7 s VAL 29 Cb -0.10 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1nx7 s VAL 29 CO 0.18 0.44 -0.06 -0.31 0.00 0.00 0.00 175.10 175.35 1nx7 s TYR 30 N 1.03 2.93 -1.00 5.22 1.51 0.48 -1.41 117.35 126.12 1nx7 s TYR 30 Ca 0.01 -0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 55.24 1nx7 s TYR 30 Cb -0.15 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1nx7 s TYR 30 CO 0.01 -0.39 2.74 -0.40 -1.11 0.00 0.00 175.55 176.39 1nx7 n ASP 31 N 4.30 7.46 0.00 2.29 5.75 -0.10 -1.94 116.55 134.30 1nx7 n ASP 31 Ca -0.18 -2.98 0.08 0.00 -0.01 0.00 0.00 54.79 51.70 1nx7 n ASP 31 Cb 0.51 -1.37 0.46 0.00 -1.03 0.00 0.00 41.12 39.69 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 1.94 0.00 -0.31 -2.12 4.77 -0.02 -2.70 117.00 118.55 1nx7 n LEU 32 Ca 0.60 0.07 0.08 0.00 -0.03 0.00 0.00 56.01 56.73 1nx7 n LEU 32 Cb 0.40 -0.07 0.17 0.00 -2.33 0.00 0.00 43.42 41.59 1nx7 n LEU 32 CO 0.56 -0.04 0.63 0.41 -1.33 0.00 0.00 177.39 177.62 1nx7 n THR 33 N -1.07 -0.37 1.13 -5.08 -1.04 0.25 -0.07 114.28 108.02 1nx7 n THR 33 Ca 0.11 1.99 0.14 0.00 -2.04 0.00 0.00 64.05 64.25 1nx7 n THR 33 Cb 0.07 -2.81 0.59 0.00 -1.82 0.00 0.00 70.33 66.37 1nx7 n THR 33 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1nx7 n LYS 34 N -5.38 0.16 -0.02 -2.82 2.85 -1.10 -4.06 118.16 107.80 1nx7 n LYS 34 Ca 0.17 -0.03 0.04 0.00 -1.05 0.00 0.00 58.31 57.44 1nx7 n LYS 34 Cb 0.53 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1nx7 n PHE 35 N -1.40 0.00 -0.24 5.58 7.35 0.90 -4.70 117.46 124.95 1nx7 n PHE 35 Ca 0.09 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.72 1nx7 n PHE 35 Cb 0.31 -0.36 -0.05 0.00 0.35 0.00 0.00 39.48 39.74 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 -2.05 -0.58 -0.01 -2.13 4.77 -0.33 -0.74 117.00 115.93 1nx7 n LEU 36 Ca -0.06 1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 56.84 1nx7 n LEU 36 Cb 0.44 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1nx7 n LEU 36 CO 0.28 -0.85 0.45 -0.33 -1.33 0.00 0.00 177.39 175.60 1nx7 h GLU 37 N 0.00 0.63 -0.39 3.23 5.08 -1.87 -2.74 114.58 118.52 1nx7 h GLU 37 Ca 0.11 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 57.93 1nx7 h GLU 37 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1nx7 h GLU 37 CO -0.55 1.03 -0.26 0.93 -1.00 0.00 0.00 179.01 179.16 1nx7 h GLU 38 N 0.48 0.86 -6.40 2.33 5.08 -1.22 -3.47 114.58 112.24 1nx7 h GLU 38 Ca 0.00 -0.41 -0.61 0.00 -1.00 0.00 0.00 59.36 57.35 1nx7 h GLU 38 Cb 1.14 -0.01 0.05 0.00 0.50 0.00 0.00 28.75 30.43 1nx7 h GLU 38 CO 0.11 1.05 0.83 1.58 -1.00 0.00 0.00 179.01 181.58 1nx7 n HIS 39 N -4.18 2.18 -0.25 4.33 -0.00 -0.04 -4.90 115.22 112.35 1nx7 n HIS 39 Ca -0.02 0.26 0.21 0.00 0.46 0.00 0.00 57.72 58.64 1nx7 n HIS 39 Cb 0.47 -2.54 0.55 0.00 -0.12 0.00 0.00 29.99 28.34 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 6.59 0.33 -0.52 1.57 0.13 -1.92 0.15 132.00 138.33 1nx7 h PRO 40 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.27 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1nx7 h PRO 40 CO 0.89 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 1nx7 n GLY 41 N -1.54 0.93 6.24 1.56 0.00 -1.26 -5.04 105.19 106.07 1nx7 n GLY 41 Ca 0.20 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 0.55 -1.26 0.14 -0.02 0.00 0.54 -4.53 105.19 100.61 1nx7 n GLY 42 Ca 0.08 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 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 0.35 -0.78 1.61 4.11 -1.77 -3.41 114.58 114.69 1nx7 h GLU 43 Ca 0.00 -0.60 0.07 0.00 0.07 0.00 0.00 59.36 58.91 1nx7 h GLU 43 Cb 0.14 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 1nx7 h GLU 43 CO 0.00 1.28 -0.46 -1.91 0.07 0.00 0.00 179.01 177.99 1nx7 n GLU 44 N -3.55 -0.34 -0.24 1.06 4.07 -1.26 -0.27 120.64 120.10 1nx7 n GLU 44 Ca -0.27 1.20 -0.04 0.00 -0.06 0.00 0.00 57.16 57.98 1nx7 n GLU 44 Cb 1.07 -1.76 0.07 0.00 -0.06 0.00 0.00 31.44 30.76 1nx7 n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1nx7 h VAL 45 N 0.00 1.11 -0.16 6.31 -1.51 -1.80 0.92 116.25 121.12 1nx7 h VAL 45 Ca 0.13 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 65.20 1nx7 h VAL 45 Cb 0.32 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 1nx7 h VAL 45 CO -0.74 0.15 -0.32 -0.07 -1.23 0.00 0.00 177.57 175.37 1nx7 h LEU 46 N 0.85 0.56 -0.53 4.19 3.38 -0.86 -0.54 115.31 122.36 1nx7 h LEU 46 Ca 0.27 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1nx7 h LEU 46 Cb -0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1nx7 h LEU 46 CO -0.10 1.00 0.26 -0.09 0.09 0.00 0.00 178.44 179.61 1nx7 h ARG 47 N 0.13 0.49 -0.65 1.13 2.43 -0.54 0.44 114.38 117.81 1nx7 h ARG 47 Ca 0.01 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1nx7 h ARG 47 Cb 0.91 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 1nx7 h ARG 47 CO 0.07 0.32 0.42 0.93 -1.51 0.00 0.00 179.97 180.20 1nx7 h GLU 48 N 0.50 0.81 0.00 0.20 5.08 -0.61 -2.37 114.58 118.20 1nx7 h GLU 48 Ca 0.24 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1nx7 h GLU 48 Cb 0.16 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nx7 h GLU 48 CO -0.17 0.54 -0.07 1.96 -1.00 0.00 0.00 179.01 180.27 1nx7 h GLN 49 N 0.84 0.00 -6.17 2.33 1.08 -0.62 -3.47 115.11 109.09 1nx7 h GLN 49 Ca 0.25 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.73 1nx7 h GLN 49 Cb -0.04 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1nx7 h GLN 49 CO -0.08 0.07 0.41 0.00 -0.95 0.00 0.00 178.83 178.28 1nx7 n ALA 50 N -2.12 -1.61 -1.55 3.87 0.00 0.15 -2.46 120.51 116.79 1nx7 n ALA 50 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1nx7 n ALA 50 Cb 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 2.51 0.70 3.81 0.00 0.00 0.57 -4.65 105.19 108.12 1nx7 n GLY 51 Ca 0.20 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.79 -0.08 -0.20 -0.02 0.00 -1.03 -4.17 107.32 99.03 1nx7 s GLY 52 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.37 1nx7 s GLY 52 CO 0.00 1.16 1.91 0.51 0.00 0.00 0.00 173.10 176.67 1nx7 s ASP 53 N -3.17 5.98 -0.27 1.64 -4.77 -1.26 -1.14 116.67 113.67 1nx7 s ASP 53 Ca 0.17 1.80 0.12 0.00 -3.30 0.00 0.00 52.55 51.34 1nx7 s ASP 53 Cb -0.02 -2.52 0.62 0.00 -1.09 0.00 0.00 42.92 39.91 1nx7 s ASP 53 CO 0.03 -1.55 1.61 0.00 0.70 0.00 0.00 175.17 175.95 1nx7 n ALA 54 N 9.77 4.04 -0.13 2.11 0.00 0.53 -4.55 120.51 132.28 1nx7 n ALA 54 Ca 0.23 -2.56 -0.05 0.00 0.00 0.00 0.00 53.44 51.07 1nx7 n ALA 54 Cb 0.45 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 1.91 0.57 0.00 0.00 2.02 -0.98 0.94 112.91 117.37 1nx7 h THR 55 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1nx7 h THR 55 Cb 1.91 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1nx7 h THR 55 CO 0.50 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.60 1nx7 n GLU 56 N -5.32 0.00 -0.26 6.66 2.13 -1.26 -0.81 120.64 121.78 1nx7 n GLU 56 Ca 0.03 0.76 -0.05 0.00 0.66 0.00 0.00 57.16 58.55 1nx7 n GLU 56 Cb 0.23 -1.19 0.06 0.00 0.27 0.00 0.00 31.44 30.81 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 0.83 -0.56 4.31 2.35 -1.70 0.31 115.58 121.12 1nx7 h ASN 57 Ca 0.00 -0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.82 1nx7 h ASN 57 Cb 0.00 -0.21 -0.10 0.00 0.05 0.00 0.00 38.32 38.07 1nx7 h ASN 57 CO 0.00 0.62 -0.02 0.15 -1.65 0.00 0.00 177.43 176.53 1nx7 h PHE 58 N 0.96 -0.08 0.00 1.19 3.57 -0.49 -1.70 116.94 120.40 1nx7 h PHE 58 Ca 0.26 0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.54 1nx7 h PHE 58 Cb -0.08 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1nx7 h PHE 58 CO -0.02 -0.16 -1.56 0.93 -2.23 0.00 0.00 178.31 175.27 1nx7 h GLU 59 N 0.09 0.00 -0.01 1.11 4.39 0.10 -1.26 114.58 119.01 1nx7 h GLU 59 Ca 0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1nx7 h GLU 59 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1nx7 h GLU 59 CO -0.49 0.53 -0.01 0.22 -1.16 0.00 0.00 179.01 178.09 1nx7 h ASP 60 N 0.00 0.03 -0.11 1.42 3.58 -0.45 -2.67 116.42 118.22 1nx7 h ASP 60 Ca -0.23 -0.53 -0.01 0.00 0.42 0.00 0.00 57.03 56.68 1nx7 h ASP 60 Cb 1.92 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 1nx7 h ASP 60 CO 0.08 0.55 0.04 0.58 -2.88 0.00 0.00 179.24 177.61 1nx7 h VAL 61 N -0.49 1.08 -2.07 2.25 2.07 -1.43 -3.47 116.25 114.19 1nx7 h VAL 61 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1nx7 h VAL 61 Cb 0.54 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1nx7 h VAL 61 CO 0.00 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1nx7 n GLY 62 N -1.33 0.52 3.66 2.17 0.00 -0.69 -4.96 105.19 104.57 1nx7 n GLY 62 Ca -0.00 -0.43 -0.46 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.04 2.15 -0.62 1.61 8.25 -0.56 -4.93 115.22 120.08 1nx7 n HIS 63 Ca 0.00 0.36 -0.31 0.00 -0.26 0.00 0.00 57.72 57.51 1nx7 n HIS 63 Cb 0.48 -2.50 0.19 0.00 1.12 0.00 0.00 29.99 29.29 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 2.99 -1.48 -0.01 0.41 3.41 -1.26 -4.55 113.62 113.12 1nx7 n SER 64 Ca 0.16 0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.73 1nx7 n SER 64 Cb 0.28 -1.23 -0.07 0.00 -0.26 0.00 0.00 64.21 62.93 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 -2.18 0.00 -0.89 6.66 2.02 -1.99 0.17 112.91 116.70 1nx7 h THR 65 Ca -0.52 0.00 0.24 0.00 0.77 0.00 0.00 66.41 66.90 1nx7 h THR 65 Cb 1.32 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.58 1nx7 h THR 65 CO 0.42 0.00 0.20 0.44 0.37 0.00 0.00 175.52 176.96 1nx7 h ASP 66 N -0.40 -0.07 -0.02 4.18 5.19 -1.98 0.57 116.42 123.89 1nx7 h ASP 66 Ca 0.02 0.21 -0.15 0.00 -0.62 0.00 0.00 57.03 56.49 1nx7 h ASP 66 Cb 0.47 0.30 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1nx7 h ASP 66 CO -0.31 -0.19 -0.49 0.00 -3.12 0.00 0.00 179.24 175.12 1nx7 h ALA 67 N 1.81 0.75 0.04 3.45 0.00 -1.65 0.23 119.26 123.89 1nx7 h ALA 67 Ca 0.56 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nx7 h ALA 67 Cb 1.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1nx7 h ALA 67 CO -0.69 0.67 -0.04 -0.09 0.00 0.00 0.00 179.25 179.09 1nx7 h ARG 68 N 0.45 -0.09 -0.03 0.00 2.43 0.82 0.10 114.38 118.06 1nx7 h ARG 68 Ca 0.02 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 1nx7 h ARG 68 Cb 1.02 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1nx7 h ARG 68 CO 0.09 -0.06 -0.74 0.93 -1.51 0.00 0.00 179.97 178.68 1nx7 h GLU 69 N -0.10 0.22 0.07 0.20 4.39 -0.59 -2.27 114.58 116.50 1nx7 h GLU 69 Ca 0.01 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1nx7 h GLU 69 Cb 0.10 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1nx7 h GLU 69 CO -0.02 0.87 -0.08 1.25 -1.16 0.00 0.00 179.01 179.87 1nx7 h LEU 70 N 0.15 -0.21 -1.89 1.33 5.85 -0.51 -3.14 115.31 116.88 1nx7 h LEU 70 Ca -0.03 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1nx7 h LEU 70 Cb 1.31 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1nx7 h LEU 70 CO 0.11 -0.12 0.44 0.77 -0.34 0.00 0.00 178.44 179.30 1nx7 h SER 71 N -0.17 0.11 -1.00 1.25 4.64 -0.19 -0.71 113.55 117.46 1nx7 h SER 71 Ca 0.01 0.01 0.19 0.00 -0.47 0.00 0.00 61.79 61.53 1nx7 h SER 71 Cb 0.17 -0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 62.14 1nx7 h SER 71 CO -0.03 0.05 0.61 0.11 -0.87 0.00 0.00 176.83 176.71 1nx7 h LYS 72 N 0.11 0.73 0.00 4.77 1.79 -1.46 -0.01 116.57 122.50 1nx7 h LYS 72 Ca 0.30 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1nx7 h LYS 72 Cb 1.03 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1nx7 h LYS 72 CO -0.03 0.48 0.00 0.25 -1.08 0.00 0.00 179.45 179.07 1nx7 n THR 73 N -4.76 1.22 0.24 -0.16 -2.24 -0.27 -1.64 114.28 106.67 1nx7 n THR 73 Ca 0.23 0.52 0.10 0.00 -2.27 0.00 0.00 64.05 62.63 1nx7 n THR 73 Cb 0.58 -1.48 0.17 0.00 -2.10 0.00 0.00 70.33 67.50 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 -2.00 0.40 -2.36 4.78 3.72 -0.02 -4.97 117.46 117.02 1nx7 n PHE 74 Ca 0.00 -0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 56.73 1nx7 n PHE 74 Cb 0.08 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.29 3.91 -0.05 4.37 1.01 -0.65 -0.93 121.20 127.57 1nx7 s ILE 75 Ca 0.31 1.34 0.06 0.00 0.00 0.00 0.00 60.65 62.36 1nx7 s ILE 75 Cb 0.18 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 1nx7 s ILE 75 CO 0.25 0.07 0.06 2.30 0.00 0.00 0.00 174.94 177.62 1nx7 n ILE 76 N 4.17 0.32 -3.07 2.92 -5.35 -0.50 -4.94 119.36 112.90 1nx7 n ILE 76 Ca 0.10 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1nx7 n ILE 76 Cb 0.45 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 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 2.47 1.59 3.57 3.28 0.00 -1.22 -3.88 105.19 110.99 1nx7 n GLY 77 Ca -0.08 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.00 1.36 -0.08 1.61 2.02 -0.82 -0.16 118.70 121.64 1nx7 s GLU 78 Ca 0.00 -0.60 -0.35 0.00 0.02 0.00 0.00 54.97 54.04 1nx7 s GLU 78 Cb 0.00 0.56 -0.12 0.00 0.10 0.00 0.00 34.13 34.67 1nx7 s GLU 78 CO 0.00 -0.61 1.83 -0.11 0.02 0.00 0.00 175.26 176.40 1nx7 n LEU 79 N -0.39 3.30 -4.58 1.80 7.94 0.11 0.50 117.00 125.68 1nx7 n LEU 79 Ca -0.12 0.99 -0.53 0.00 -1.11 0.00 0.00 56.01 55.24 1nx7 n LEU 79 Cb 0.63 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 43.16 1nx7 n LEU 79 CO 0.13 -0.12 0.85 1.57 -1.11 0.00 0.00 177.39 178.71 1nx7 n HIS 80 N 6.16 1.38 0.00 1.96 -0.00 0.32 -4.73 115.22 120.31 1nx7 n HIS 80 Ca 0.22 0.70 0.00 0.00 -0.00 0.00 0.00 57.72 58.65 1nx7 n HIS 80 Cb 0.28 -2.30 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 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 2.38 0.00 -0.08 1.57 -0.04 -1.26 -1.00 135.00 136.56 1nx7 n PRO 81 Ca 0.19 0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.88 1nx7 n PRO 81 Cb 0.17 -1.51 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.31 1.02 0.18 3.54 9.92 -1.26 -4.55 116.55 124.09 1nx7 n ASP 82 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1nx7 n ASP 82 Cb 0.01 0.92 -0.07 0.00 -0.64 0.00 0.00 41.12 41.34 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 -0.43 0.00 -2.24 3.58 -1.43 -3.54 116.42 112.37 1nx7 h ASP 83 Ca -0.43 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1nx7 h ASP 83 Cb 1.96 0.11 0.00 0.00 1.72 0.00 0.00 39.33 43.13 1nx7 h ASP 83 CO 0.02 -0.01 0.00 0.54 -2.88 0.00 0.00 179.24 176.92