#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 -0.63 0.00 0.11 -1.26 -5.02 120.40 113.60 1nx7 s VAL 4 Ca 0.00 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 1nx7 s VAL 4 Cb 0.00 -0.84 0.07 0.00 -1.53 0.00 0.00 36.38 34.08 1nx7 s VAL 4 CO 0.00 0.00 0.90 -0.54 -3.33 0.00 0.00 175.10 172.13 1nx7 s LYS 5 N 0.33 3.13 -0.41 1.54 1.02 -1.24 -4.93 119.74 119.18 1nx7 s LYS 5 Ca -0.00 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 54.87 1nx7 s LYS 5 Cb -0.04 -4.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.04 1nx7 s LYS 5 CO 0.01 -1.70 1.81 0.71 -0.92 0.00 0.00 175.35 175.25 1nx7 s TYR 6 N 3.77 1.79 -0.04 3.18 2.02 -1.26 -1.18 117.35 125.63 1nx7 s TYR 6 Ca 0.21 0.69 0.04 0.00 -0.37 0.00 0.00 57.07 57.65 1nx7 s TYR 6 Cb -0.18 -4.12 -0.03 0.00 -0.40 0.00 0.00 41.96 37.24 1nx7 s TYR 6 CO 0.11 -2.71 -0.16 0.71 -1.57 0.00 0.00 175.55 171.92 1nx7 s TYR 7 N 7.49 2.65 0.38 2.71 2.02 0.14 -4.68 117.35 128.06 1nx7 s TYR 7 Ca 0.76 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 57.27 1nx7 s TYR 7 Cb -0.19 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1nx7 s TYR 7 CO 0.30 0.16 0.58 -0.08 -1.57 0.00 0.00 175.55 174.94 1nx7 s THR 8 N -0.72 4.59 0.31 -0.71 -1.32 -1.26 -0.57 115.64 115.95 1nx7 s THR 8 Ca 0.11 -0.54 0.04 0.00 -1.21 0.00 0.00 61.69 60.09 1nx7 s THR 8 Cb -0.11 -3.67 0.41 0.00 -1.51 0.00 0.00 72.50 67.62 1nx7 s THR 8 CO 0.00 -0.43 1.54 0.18 -2.21 0.00 0.00 174.62 173.71 1nx7 n LEU 9 N -1.87 -0.07 -0.18 9.08 4.77 -1.26 -0.39 117.00 127.08 1nx7 n LEU 9 Ca -0.02 1.66 -0.05 0.00 -0.03 0.00 0.00 56.01 57.57 1nx7 n LEU 9 Cb 0.57 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1nx7 n LEU 9 CO 0.47 -1.70 0.48 1.21 -1.33 0.00 0.00 177.39 176.52 1nx7 n GLU 10 N -5.44 -0.19 -0.20 3.23 4.07 -1.26 0.14 120.64 120.98 1nx7 n GLU 10 Ca 0.25 1.21 0.01 0.00 -0.06 0.00 0.00 57.16 58.56 1nx7 n GLU 10 Cb 0.81 -1.80 0.09 0.00 -0.06 0.00 0.00 31.44 30.48 1nx7 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1nx7 h GLU 11 N 0.00 0.09 -0.76 5.31 4.39 -1.09 0.81 114.58 123.34 1nx7 h GLU 11 Ca 0.07 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1nx7 h GLU 11 Cb 0.18 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1nx7 h GLU 11 CO -0.41 0.06 0.35 0.82 -1.16 0.00 0.00 179.01 178.67 1nx7 h ILE 12 N 0.09 1.25 -0.18 3.13 5.03 -1.01 -3.24 117.51 122.58 1nx7 h ILE 12 Ca 0.32 -0.70 -0.09 0.00 -0.12 0.00 0.00 64.86 64.27 1nx7 h ILE 12 Cb 0.51 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 34.59 1nx7 h ILE 12 CO -0.54 0.29 -0.27 -0.61 -0.68 0.00 0.00 178.15 176.34 1nx7 h GLN 13 N 1.07 0.33 0.00 2.37 4.15 0.21 0.29 115.11 123.53 1nx7 h GLN 13 Ca 0.26 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1nx7 h GLN 13 Cb 0.13 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1nx7 h GLN 13 CO -0.03 0.58 0.00 1.63 -1.93 0.00 0.00 178.83 179.08 1nx7 n LYS 14 N -4.13 0.30 -3.52 1.69 5.02 -0.78 -4.20 118.16 112.54 1nx7 n LYS 14 Ca -0.01 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.10 1nx7 n LYS 14 Cb 0.39 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1nx7 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nx7 n HIS 15 N -1.15 0.90 -2.75 2.13 8.25 0.10 -4.94 115.22 117.76 1nx7 n HIS 15 Ca 0.08 -3.74 -0.04 0.00 -0.26 0.00 0.00 57.72 53.77 1nx7 n HIS 15 Cb 0.08 -0.18 0.06 0.00 1.12 0.00 0.00 29.99 31.07 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 2.15 0.86 -3.97 0.41 6.94 -0.25 -0.73 115.26 120.66 1nx7 n ASN 16 Ca 0.26 -2.30 -0.09 0.00 -0.02 0.00 0.00 54.58 52.42 1nx7 n ASN 16 Cb 0.44 -0.22 -0.08 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 -3.04 0.15 0.37 0.53 0.01 0.03 -4.83 114.94 108.15 1nx7 s ASN 17 Ca 0.24 -0.87 0.13 0.00 -0.71 0.00 0.00 52.86 51.65 1nx7 s ASN 17 Cb 0.39 0.36 0.94 0.00 0.41 0.00 0.00 41.25 43.35 1nx7 s ASN 17 CO -0.03 -0.79 1.81 0.28 -1.51 0.00 0.00 177.10 176.86 1nx7 h SER 18 N 2.71 0.57 -0.38 -1.22 0.02 -1.99 0.24 113.55 113.51 1nx7 h SER 18 Ca -0.33 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1nx7 h SER 18 Cb 1.21 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1nx7 h SER 18 CO 0.54 0.20 0.26 0.50 -1.14 0.00 0.00 176.83 177.19 1nx7 h LYS 19 N 0.55 0.27 -0.85 3.45 3.64 -1.96 -3.41 116.57 118.26 1nx7 h LYS 19 Ca 0.54 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.90 1nx7 h LYS 19 Cb 1.12 -0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 32.69 1nx7 h LYS 19 CO -0.28 0.18 -0.37 -1.12 -2.27 0.00 0.00 179.45 175.59 1nx7 s SER 20 N -6.57 -1.33 -0.74 4.20 0.01 0.80 -5.01 113.70 105.05 1nx7 s SER 20 Ca -0.07 -0.49 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 1nx7 s SER 20 Cb 0.18 1.73 0.19 0.00 0.21 0.00 0.00 66.02 68.34 1nx7 s SER 20 CO 0.72 -0.17 0.63 -0.89 0.41 0.00 0.00 173.24 173.94 1nx7 s THR 21 N 2.08 4.72 0.12 1.44 2.01 -0.87 -0.79 115.64 124.34 1nx7 s THR 21 Ca 0.15 -2.76 -0.00 0.00 0.31 0.00 0.00 61.69 59.39 1nx7 s THR 21 Cb -0.04 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1nx7 s THR 21 CO -0.12 -0.97 0.29 0.26 -0.69 0.00 0.00 174.62 173.39 1nx7 s TRP 22 N -0.02 3.50 0.29 4.92 0.52 0.09 -0.17 118.94 128.06 1nx7 s TRP 22 Ca 0.18 0.27 -0.20 0.00 0.02 0.00 0.00 56.10 56.37 1nx7 s TRP 22 Cb -0.15 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.42 1nx7 s TRP 22 CO -0.06 0.51 0.73 -0.48 0.02 0.00 0.00 176.95 177.66 1nx7 s LEU 23 N -2.88 -0.22 -0.17 2.99 0.05 -0.90 -0.15 118.68 117.40 1nx7 s LEU 23 Ca 0.36 -0.68 0.00 0.00 0.05 0.00 0.00 54.13 53.86 1nx7 s LEU 23 Cb -0.12 2.74 0.01 0.00 -2.05 0.00 0.00 46.19 46.77 1nx7 s LEU 23 CO 0.28 -1.39 -0.17 -0.63 -0.55 0.00 0.00 176.35 173.89 1nx7 s ILE 24 N -3.71 2.43 -0.60 1.48 1.01 -0.28 -0.48 121.20 121.04 1nx7 s ILE 24 Ca 0.12 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.98 1nx7 s ILE 24 Cb -0.06 -2.03 0.15 0.00 0.01 0.00 0.00 42.46 40.54 1nx7 s ILE 24 CO 0.08 0.52 0.38 -0.76 0.00 0.00 0.00 174.94 175.16 1nx7 s LEU 25 N 1.11 4.28 -0.66 2.97 1.02 0.16 -0.28 118.68 127.28 1nx7 s LEU 25 Ca 0.00 -3.42 -0.01 0.00 0.02 0.00 0.00 54.13 50.72 1nx7 s LEU 25 Cb -0.14 -1.52 -0.01 0.00 0.02 0.00 0.00 46.19 44.54 1nx7 s LEU 25 CO -0.06 -0.15 0.61 1.41 0.02 0.00 0.00 176.35 178.18 1nx7 n HIS 26 N 2.54 -2.48 0.00 0.29 8.25 -1.26 -3.83 115.22 118.73 1nx7 n HIS 26 Ca 0.14 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.54 1nx7 n HIS 26 Cb 0.35 -3.74 0.00 0.00 1.12 0.00 0.00 29.99 27.72 1nx7 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nx7 n TYR 27 N -1.81 0.00 -2.45 4.41 4.01 -1.26 -4.92 117.16 115.14 1nx7 n TYR 27 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1nx7 n TYR 27 Cb 0.51 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.45 1nx7 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1nx7 s LYS 28 N 0.00 4.53 -0.13 -0.72 -0.14 -1.25 0.22 119.74 122.26 1nx7 s LYS 28 Ca 0.00 1.78 -0.15 0.00 -1.36 0.00 0.00 55.97 56.24 1nx7 s LYS 28 Cb 0.00 -3.28 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 1nx7 s LYS 28 CO 0.00 -0.03 0.34 0.08 -0.76 0.00 0.00 175.35 174.98 1nx7 s VAL 29 N 0.03 5.25 -0.20 3.17 1.01 0.20 -0.67 120.40 129.20 1nx7 s VAL 29 Ca 0.52 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 1nx7 s VAL 29 Cb -0.30 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1nx7 s VAL 29 CO 0.35 0.40 -0.09 -0.31 0.00 0.00 0.00 175.10 175.45 1nx7 s TYR 30 N 0.28 2.90 -0.55 5.22 1.51 0.37 -1.03 117.35 126.04 1nx7 s TYR 30 Ca 0.19 -1.12 -0.28 0.00 -1.01 0.00 0.00 57.07 54.85 1nx7 s TYR 30 Cb -0.14 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.70 1nx7 s TYR 30 CO 0.06 -0.60 1.30 0.34 -1.11 0.00 0.00 175.55 175.54 1nx7 s ASP 31 N 1.35 6.33 -0.65 2.29 -1.08 0.05 -2.12 116.67 122.84 1nx7 s ASP 31 Ca 0.04 0.27 -0.00 0.00 -0.52 0.00 0.00 52.55 52.35 1nx7 s ASP 31 Cb -0.14 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.20 1nx7 s ASP 31 CO -0.05 -1.55 1.86 0.18 0.52 0.00 0.00 175.17 176.13 1nx7 n LEU 32 N 8.87 7.10 0.00 -1.34 4.77 0.76 -4.62 117.00 132.55 1nx7 n LEU 32 Ca 0.11 -4.55 -0.18 0.00 -0.03 0.00 0.00 56.01 51.37 1nx7 n LEU 32 Cb 0.49 -0.88 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 1nx7 n LEU 32 CO 0.71 1.68 0.20 0.74 -1.33 0.00 0.00 177.39 179.39 1nx7 h THR 33 N 1.51 1.60 -0.21 -5.08 2.02 -1.88 -3.23 112.91 107.64 1nx7 h THR 33 Ca 0.55 -2.40 -0.11 0.00 0.77 0.00 0.00 66.41 65.22 1nx7 h THR 33 Cb 0.72 3.19 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 1nx7 h THR 33 CO 1.40 0.66 -0.34 0.07 0.37 0.00 0.00 175.52 177.68 1nx7 h LYS 34 N -0.57 0.45 0.00 6.66 2.10 -1.93 -3.32 116.57 119.97 1nx7 h LYS 34 Ca -0.08 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1nx7 h LYS 34 Cb 1.36 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1nx7 h LYS 34 CO 0.09 0.74 0.00 0.34 -2.00 0.00 0.00 179.45 178.62 1nx7 n PHE 35 N -4.07 0.07 -0.18 0.07 7.35 -1.24 -3.57 117.46 115.89 1nx7 n PHE 35 Ca -0.01 0.02 -0.08 0.00 -0.76 0.00 0.00 57.45 56.62 1nx7 n PHE 35 Cb 0.46 -0.54 -0.03 0.00 0.35 0.00 0.00 39.48 39.72 1nx7 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1nx7 h LEU 36 N 0.00 -1.40 -0.22 -2.13 3.38 -1.66 0.51 115.31 113.79 1nx7 h LEU 36 Ca 0.00 0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1nx7 h LEU 36 Cb 0.43 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1nx7 h LEU 36 CO 0.00 -0.34 -0.27 -0.33 0.09 0.00 0.00 178.44 177.59 1nx7 h GLU 37 N -0.25 0.57 -0.41 1.13 5.08 -1.86 -3.18 114.58 115.67 1nx7 h GLU 37 Ca 0.17 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1nx7 h GLU 37 Cb 0.57 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1nx7 h GLU 37 CO -0.64 0.92 0.20 0.93 -1.00 0.00 0.00 179.01 179.42 1nx7 h GLU 38 N 0.26 0.40 -6.43 2.33 5.08 -1.61 -3.45 114.58 111.16 1nx7 h GLU 38 Ca 0.03 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.84 1nx7 h GLU 38 Cb 0.84 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.03 1nx7 h GLU 38 CO 0.06 0.27 1.19 -1.58 -1.00 0.00 0.00 179.01 177.95 1nx7 s HIS 39 N -6.15 1.65 0.54 4.33 2.46 0.13 -4.90 115.29 113.35 1nx7 s HIS 39 Ca -0.13 -0.29 0.22 0.00 0.47 0.00 0.00 55.06 55.32 1nx7 s HIS 39 Cb 0.12 -4.23 1.45 0.00 -0.13 0.00 0.00 32.58 29.79 1nx7 s HIS 39 CO 0.72 -5.33 2.15 -1.00 -2.47 0.00 0.00 174.74 168.81 1nx7 h PRO 40 N 9.73 0.00 -0.06 2.88 0.13 -1.91 0.76 132.00 143.53 1nx7 h PRO 40 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nx7 h PRO 40 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1nx7 n GLY 41 N -1.49 -0.82 1.69 1.56 0.00 -1.26 -5.03 105.19 99.84 1nx7 n GLY 41 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.51 -2.13 0.12 -0.02 0.00 0.26 -4.67 105.19 99.26 1nx7 n GLY 42 Ca 0.01 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.39 0.57 -0.17 1.61 0.28 -1.20 -4.45 120.64 115.89 1nx7 n GLU 43 Ca 0.00 0.45 -0.01 0.00 -0.16 0.00 0.00 57.16 57.44 1nx7 n GLU 43 Cb 0.10 -1.65 0.07 0.00 1.43 0.00 0.00 31.44 31.40 1nx7 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1nx7 h GLU 44 N -1.00 0.14 -0.61 3.44 4.57 -1.90 0.18 114.58 119.40 1nx7 h GLU 44 Ca -0.45 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 57.79 1nx7 h GLU 44 Cb 1.37 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.89 1nx7 h GLU 44 CO -0.27 0.09 0.41 -0.24 -1.18 0.00 0.00 179.01 177.81 1nx7 h VAL 45 N 0.14 0.96 0.00 0.32 3.04 -1.83 0.23 116.25 119.11 1nx7 h VAL 45 Ca 0.27 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.75 1nx7 h VAL 45 Cb 0.41 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 1nx7 h VAL 45 CO -0.42 0.10 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.07 1nx7 h LEU 46 N 0.53 0.08 -1.92 3.16 3.38 -0.97 -2.56 115.31 117.03 1nx7 h LEU 46 Ca 0.27 -0.79 0.17 0.00 0.09 0.00 0.00 57.88 57.61 1nx7 h LEU 46 Cb 0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1nx7 h LEU 46 CO -0.08 0.86 0.55 -0.09 0.09 0.00 0.00 178.44 179.77 1nx7 h ARG 47 N -0.69 0.00 0.04 1.13 1.12 -0.33 0.51 114.38 116.16 1nx7 h ARG 47 Ca -0.01 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.57 1nx7 h ARG 47 Cb 0.88 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.80 1nx7 h ARG 47 CO 0.02 0.00 -1.58 0.93 -3.11 0.00 0.00 179.97 176.23 1nx7 h GLU 48 N 0.00 0.08 0.00 0.20 5.08 -0.57 -3.29 114.58 116.08 1nx7 h GLU 48 Ca 0.27 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1nx7 h GLU 48 Cb 1.36 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1nx7 h GLU 48 CO -0.00 0.79 0.00 1.96 -1.00 0.00 0.00 179.01 180.75 1nx7 h GLN 49 N 0.02 0.00 -6.17 2.33 1.08 -0.59 -3.47 115.11 108.31 1nx7 h GLN 49 Ca -0.24 0.00 -0.73 0.00 -1.45 0.00 0.00 58.65 56.23 1nx7 h GLN 49 Cb 1.97 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 29.44 1nx7 h GLN 49 CO 0.11 0.00 0.56 0.00 -0.95 0.00 0.00 178.83 178.54 1nx7 n ALA 50 N -2.08 -1.13 -1.94 3.87 0.00 0.16 -2.30 120.51 117.09 1nx7 n ALA 50 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1nx7 n ALA 50 Cb 0.38 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 3.02 0.76 3.76 0.00 0.00 0.79 -4.67 105.19 108.86 1nx7 n GLY 51 Ca 0.22 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.87 -0.19 -0.23 -0.02 0.00 -0.97 -4.28 107.32 98.76 1nx7 s GLY 52 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 44.72 44.55 1nx7 s GLY 52 CO 0.00 0.59 1.93 0.51 0.00 0.00 0.00 173.10 176.13 1nx7 s ASP 53 N -3.06 5.90 -0.14 1.64 -4.77 -1.26 -1.13 116.67 113.85 1nx7 s ASP 53 Ca 0.15 1.72 0.16 0.00 -3.30 0.00 0.00 52.55 51.28 1nx7 s ASP 53 Cb -0.01 -2.52 0.59 0.00 -1.09 0.00 0.00 42.92 39.89 1nx7 s ASP 53 CO 0.02 -1.63 1.50 0.00 0.70 0.00 0.00 175.17 175.76 1nx7 n ALA 54 N 10.10 3.01 -0.26 2.11 0.00 0.39 -4.45 120.51 131.41 1nx7 n ALA 54 Ca 0.24 -1.85 0.03 0.00 0.00 0.00 0.00 53.44 51.86 1nx7 n ALA 54 Cb 0.45 -0.81 0.12 0.00 0.00 0.00 0.00 19.45 19.21 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 2.81 0.28 0.00 0.00 2.02 -0.97 0.92 112.91 117.98 1nx7 h THR 55 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1nx7 h THR 55 Cb 1.41 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1nx7 h THR 55 CO 0.23 0.01 0.00 1.21 0.37 0.00 0.00 175.52 177.34 1nx7 n GLU 56 N -5.44 0.00 -0.29 6.66 2.13 -1.26 -0.54 120.64 121.91 1nx7 n GLU 56 Ca 0.12 0.68 -0.05 0.00 0.66 0.00 0.00 57.16 58.56 1nx7 n GLU 56 Cb 0.42 -1.09 0.07 0.00 0.27 0.00 0.00 31.44 31.11 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 0.96 -0.49 4.31 2.35 -1.55 0.23 115.58 121.39 1nx7 h ASN 57 Ca 0.00 -0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.76 1nx7 h ASN 57 Cb 0.00 -0.24 -0.08 0.00 0.05 0.00 0.00 38.32 38.05 1nx7 h ASN 57 CO 0.00 0.76 0.02 0.15 -1.65 0.00 0.00 177.43 176.71 1nx7 h PHE 58 N 1.08 0.02 0.15 1.19 3.57 -0.52 -1.40 116.94 121.02 1nx7 h PHE 58 Ca 0.28 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.52 1nx7 h PHE 58 Cb -0.00 0.07 0.01 0.00 2.79 0.00 0.00 35.95 38.81 1nx7 h PHE 58 CO -0.00 -0.09 -1.33 0.93 -2.23 0.00 0.00 178.31 175.59 1nx7 h GLU 59 N 0.14 0.31 0.12 1.11 4.39 0.25 0.80 114.58 121.71 1nx7 h GLU 59 Ca 0.25 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1nx7 h GLU 59 Cb 0.36 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1nx7 h GLU 59 CO -0.39 1.24 -0.06 0.22 -1.16 0.00 0.00 179.01 178.86 1nx7 h ASP 60 N 0.08 -0.14 -0.34 1.42 3.58 -0.59 -2.27 116.42 118.16 1nx7 h ASP 60 Ca -0.17 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.11 1nx7 h ASP 60 Cb 2.01 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 43.08 1nx7 h ASP 60 CO 0.21 0.05 0.11 0.58 -2.88 0.00 0.00 179.24 177.30 1nx7 h VAL 61 N -0.32 1.18 -2.23 2.25 2.07 -1.32 -3.48 116.25 114.41 1nx7 h VAL 61 Ca -0.02 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1nx7 h VAL 61 Cb 0.26 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1nx7 h VAL 61 CO 0.03 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1nx7 n GLY 62 N -1.03 0.59 3.68 2.17 0.00 0.23 -4.95 105.19 105.88 1nx7 n GLY 62 Ca 0.03 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.11 2.33 -1.53 1.61 8.25 -0.89 -4.93 115.22 118.95 1nx7 n HIS 63 Ca 0.00 0.26 -0.38 0.00 -0.26 0.00 0.00 57.72 57.34 1nx7 n HIS 63 Cb 0.48 -2.55 0.04 0.00 1.12 0.00 0.00 29.99 29.08 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 3.28 -0.26 -0.13 0.41 7.64 -1.26 -4.50 113.62 118.81 1nx7 n SER 64 Ca 0.16 0.79 -0.08 0.00 1.01 0.00 0.00 58.87 60.75 1nx7 n SER 64 Cb 0.30 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 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 0.44 0.00 -0.96 0.44 2.02 -1.98 0.24 112.91 113.11 1nx7 h THR 65 Ca -0.46 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.05 1nx7 h THR 65 Cb 1.38 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.62 1nx7 h THR 65 CO 0.49 0.00 0.26 0.47 0.37 0.00 0.00 175.52 177.11 1nx7 n ASP 66 N -4.34 0.10 0.10 4.18 9.92 -1.26 -0.61 116.55 124.64 1nx7 n ASP 66 Ca -0.01 1.61 -0.21 0.00 -0.53 0.00 0.00 54.79 55.65 1nx7 n ASP 66 Cb 0.20 -0.68 -0.13 0.00 -0.64 0.00 0.00 41.12 39.87 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 1.92 0.02 -0.96 2.24 0.00 -1.06 0.21 119.26 121.64 1nx7 h ALA 67 Ca 0.69 -0.79 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nx7 h ALA 67 Cb 1.66 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1nx7 h ALA 67 CO -0.82 0.74 0.61 0.00 0.00 0.00 0.00 179.25 179.78 1nx7 h ARG 68 N 0.23 1.09 0.13 0.00 3.08 0.80 0.11 114.38 119.81 1nx7 h ARG 68 Ca -0.18 -0.07 -0.29 0.00 0.07 0.00 0.00 59.98 59.52 1nx7 h ARG 68 Cb 1.93 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1nx7 h ARG 68 CO 0.23 0.72 -1.37 0.93 -1.07 0.00 0.00 179.97 179.41 1nx7 h GLU 69 N 1.12 0.27 -0.34 0.04 4.39 -0.65 -3.23 114.58 116.18 1nx7 h GLU 69 Ca 0.41 -0.46 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1nx7 h GLU 69 Cb 0.16 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1nx7 h GLU 69 CO -0.17 1.18 0.10 1.25 -1.16 0.00 0.00 179.01 180.21 1nx7 h LEU 70 N 0.07 0.09 -1.32 1.33 5.85 -0.38 -3.01 115.31 117.93 1nx7 h LEU 70 Ca -0.18 0.04 0.30 0.00 0.84 0.00 0.00 57.88 58.88 1nx7 h LEU 70 Cb 2.00 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.96 1nx7 h LEU 70 CO 0.19 0.09 0.69 -1.28 -0.34 0.00 0.00 178.44 177.78 1nx7 h SER 71 N 0.23 0.43 -0.89 1.25 0.87 -0.80 -0.85 113.55 113.80 1nx7 h SER 71 Ca 0.15 0.10 0.19 0.00 -1.23 0.00 0.00 61.79 61.01 1nx7 h SER 71 Cb 0.14 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.08 1nx7 h SER 71 CO -0.17 0.03 0.58 0.11 -0.53 0.00 0.00 176.83 176.85 1nx7 h LYS 72 N 0.35 0.43 0.00 2.24 1.79 -1.60 -0.37 116.57 119.41 1nx7 h LYS 72 Ca 0.65 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.09 1nx7 h LYS 72 Cb 1.68 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.23 1nx7 h LYS 72 CO -0.35 0.28 0.00 0.25 -1.08 0.00 0.00 179.45 178.55 1nx7 n THR 73 N -4.52 1.33 0.56 -0.16 -2.24 -0.33 -1.62 114.28 107.30 1nx7 n THR 73 Ca 0.19 0.54 0.10 0.00 -2.27 0.00 0.00 64.05 62.61 1nx7 n THR 73 Cb 0.66 -1.51 0.12 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 -1.92 0.18 -2.18 4.78 3.72 -0.15 -4.99 117.46 116.90 1nx7 n PHE 74 Ca 0.00 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 1nx7 n PHE 74 Cb 0.06 -0.00 -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 -1.47 3.28 -0.02 4.37 1.01 -0.64 -0.77 121.20 126.97 1nx7 s ILE 75 Ca 0.26 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.88 1nx7 s ILE 75 Cb 0.17 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1nx7 s ILE 75 CO 0.25 0.09 0.02 2.30 0.00 0.00 0.00 174.94 177.60 1nx7 n ILE 76 N 3.67 0.10 -2.36 2.92 -5.35 -0.20 -4.90 119.36 113.24 1nx7 n ILE 76 Ca 0.10 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1nx7 n ILE 76 Cb 0.42 -0.47 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 2.69 1.97 3.49 3.28 0.00 -1.19 -3.66 105.19 111.76 1nx7 n GLY 77 Ca -0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 1nx7 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nx7 s GLU 78 N 1.10 0.98 -0.14 1.61 2.12 -0.32 -0.62 118.70 123.42 1nx7 s GLU 78 Ca 0.00 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 1nx7 s GLU 78 Cb 0.00 0.45 -0.08 0.00 0.26 0.00 0.00 34.13 34.76 1nx7 s GLU 78 CO 0.00 -0.40 2.11 -0.11 -0.54 0.00 0.00 175.26 176.31 1nx7 n LEU 79 N -0.05 3.42 -4.47 2.70 7.94 0.13 0.23 117.00 126.90 1nx7 n LEU 79 Ca -0.13 0.53 -0.53 0.00 -1.11 0.00 0.00 56.01 54.77 1nx7 n LEU 79 Cb 0.62 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 43.03 1nx7 n LEU 79 CO 0.13 -0.36 0.34 1.57 -1.11 0.00 0.00 177.39 177.96 1nx7 n HIS 80 N 9.64 0.25 0.63 1.96 -0.00 0.26 -4.64 115.22 123.33 1nx7 n HIS 80 Ca 0.27 0.96 0.01 0.00 -0.00 0.00 0.00 57.72 58.97 1nx7 n HIS 80 Cb 0.39 -2.06 0.07 0.00 -0.00 0.00 0.00 29.99 28.38 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 1.30 0.32 -0.04 1.57 -0.04 -1.26 -0.65 135.00 136.20 1nx7 n PRO 81 Ca 0.18 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1nx7 n PRO 81 Cb 0.18 -1.11 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.61 2.09 0.12 3.54 2.03 -1.26 -4.57 116.55 117.89 1nx7 n ASP 82 Ca 0.02 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.09 1nx7 n ASP 82 Cb 0.01 1.14 -0.15 0.00 -0.72 0.00 0.00 41.12 41.39 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 0.75 0.00 1.67 1.82 -1.22 -3.53 116.42 115.91 1nx7 h ASP 83 Ca -0.18 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.56 1nx7 h ASP 83 Cb 1.22 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.99 1nx7 h ASP 83 CO 0.01 1.72 0.00 0.54 -1.61 0.00 0.00 179.24 179.90