#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 -0.01 -0.40 0.00 0.11 -1.26 -4.81 120.40 114.03 1nx7 s VAL 4 Ca 0.00 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 1nx7 s VAL 4 Cb 0.00 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1nx7 s VAL 4 CO 0.00 0.01 0.25 -0.54 -3.33 0.00 0.00 175.10 171.49 1nx7 s LYS 5 N 0.48 2.75 0.09 1.54 1.02 -0.36 -4.94 119.74 120.33 1nx7 s LYS 5 Ca -0.02 -1.27 -0.31 0.00 0.02 0.00 0.00 55.97 54.39 1nx7 s LYS 5 Cb -0.04 -3.80 -0.08 0.00 -0.52 0.00 0.00 37.83 33.39 1nx7 s LYS 5 CO -0.02 -0.84 1.51 0.71 -0.92 0.00 0.00 175.35 175.78 1nx7 s TYR 6 N 1.51 2.90 0.01 3.18 2.02 -1.26 -1.97 117.35 123.75 1nx7 s TYR 6 Ca 0.03 0.68 0.01 0.00 -0.37 0.00 0.00 57.07 57.42 1nx7 s TYR 6 Cb -0.21 -3.81 -0.01 0.00 -0.40 0.00 0.00 41.96 37.52 1nx7 s TYR 6 CO 0.05 -3.05 -0.05 0.71 -1.57 0.00 0.00 175.55 171.64 1nx7 s TYR 7 N 1.77 0.46 0.41 2.71 2.02 0.69 -4.81 117.35 120.60 1nx7 s TYR 7 Ca 0.68 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.12 1nx7 s TYR 7 Cb -0.38 -0.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 1nx7 s TYR 7 CO 0.30 -0.05 0.63 -0.08 -1.57 0.00 0.00 175.55 174.79 1nx7 s THR 8 N -0.65 4.67 0.23 -0.71 -1.32 -1.26 -0.40 115.64 116.20 1nx7 s THR 8 Ca -0.04 -0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 60.04 1nx7 s THR 8 Cb -0.05 -3.72 0.35 0.00 -1.51 0.00 0.00 72.50 67.56 1nx7 s THR 8 CO -0.00 -0.52 1.21 0.18 -2.21 0.00 0.00 174.62 173.27 1nx7 n LEU 9 N -1.97 -0.21 -0.24 9.08 4.77 -1.26 0.07 117.00 127.24 1nx7 n LEU 9 Ca -0.02 1.32 -0.06 0.00 -0.03 0.00 0.00 56.01 57.23 1nx7 n LEU 9 Cb 0.57 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1nx7 n LEU 9 CO 0.49 -1.30 0.41 1.21 -1.33 0.00 0.00 177.39 176.87 1nx7 n GLU 10 N -5.20 -0.25 -0.22 3.23 4.07 -1.26 -0.17 120.64 120.85 1nx7 n GLU 10 Ca 0.15 1.12 0.02 0.00 -0.06 0.00 0.00 57.16 58.39 1nx7 n GLU 10 Cb 0.46 -1.66 0.12 0.00 -0.06 0.00 0.00 31.44 30.30 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 0.13 -0.57 5.31 3.07 -0.73 0.17 114.58 121.97 1nx7 h GLU 11 Ca 0.09 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 1nx7 h GLU 11 Cb 0.23 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1nx7 h GLU 11 CO -0.53 0.09 0.16 0.82 -1.40 0.00 0.00 179.01 178.14 1nx7 h ILE 12 N 0.13 1.23 -0.08 3.13 5.03 -1.12 -3.01 117.51 122.83 1nx7 h ILE 12 Ca 0.34 -0.80 -0.15 0.00 -0.12 0.00 0.00 64.86 64.14 1nx7 h ILE 12 Cb 0.56 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 34.96 1nx7 h ILE 12 CO -0.54 0.30 -0.62 -0.61 -0.68 0.00 0.00 178.15 176.00 1nx7 h GLN 13 N 0.84 0.28 0.00 2.37 4.15 0.22 0.25 115.11 123.22 1nx7 h GLN 13 Ca 0.19 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1nx7 h GLN 13 Cb 0.27 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1nx7 h GLN 13 CO -0.01 0.81 0.00 0.87 -1.93 0.00 0.00 178.83 178.57 1nx7 h LYS 14 N 0.21 0.00 -2.09 1.69 1.57 -0.89 -2.97 116.57 114.08 1nx7 h LYS 14 Ca -0.01 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.10 1nx7 h LYS 14 Cb 1.13 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.08 1nx7 h LYS 14 CO 0.10 0.00 0.02 0.72 -0.57 0.00 0.00 179.45 179.71 1nx7 n HIS 15 N -3.00 3.45 -3.37 -1.35 8.25 0.89 -4.79 115.22 115.30 1nx7 n HIS 15 Ca -0.01 -3.22 -0.13 0.00 -0.26 0.00 0.00 57.72 54.09 1nx7 n HIS 15 Cb 0.16 -0.69 -0.08 0.00 1.12 0.00 0.00 29.99 30.49 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 -2.61 0.92 0.10 0.41 2.47 -1.12 -0.35 114.94 114.76 1nx7 s ASN 16 Ca 0.46 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.39 1nx7 s ASN 16 Cb 0.30 0.82 0.00 0.00 -1.45 0.00 0.00 41.25 40.92 1nx7 s ASN 16 CO -0.18 -0.35 0.00 -3.20 -3.72 0.00 0.00 177.10 169.65 1nx7 n ASN 17 N 5.34 0.30 0.00 -4.21 2.85 -0.10 -4.94 115.26 114.50 1nx7 n ASN 17 Ca -0.02 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1nx7 n ASN 17 Cb 0.48 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1nx7 n ASN 17 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1nx7 n SER 18 N -3.05 0.00 -0.07 1.20 7.64 -1.26 -4.96 113.62 113.13 1nx7 n SER 18 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1nx7 n SER 18 Cb 0.00 0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1nx7 n SER 18 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1nx7 n LYS 19 N -1.99 0.43 -1.51 1.43 2.85 -1.26 -4.92 118.16 113.19 1nx7 n LYS 19 Ca 0.00 0.36 -0.43 0.00 -1.05 0.00 0.00 58.31 57.20 1nx7 n LYS 19 Cb 0.00 -1.47 -0.07 0.00 -0.65 0.00 0.00 35.03 32.84 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1nx7 n SER 20 N -4.29 1.99 -3.52 -5.58 7.64 -1.26 -4.69 113.62 103.90 1nx7 n SER 20 Ca -0.09 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.57 1nx7 n SER 20 Cb 0.33 -1.35 -0.14 0.00 -1.01 0.00 0.00 64.21 62.04 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 9.58 -0.22 0.20 0.44 2.01 -1.21 -0.92 115.64 125.52 1nx7 s THR 21 Ca 1.09 -0.27 0.10 0.00 0.31 0.00 0.00 61.69 62.92 1nx7 s THR 21 Cb -0.62 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1nx7 s THR 21 CO 0.39 -0.34 -0.13 0.26 -0.69 0.00 0.00 174.62 174.11 1nx7 s TRP 22 N 2.24 2.52 0.30 4.92 0.52 0.52 -1.34 118.94 128.63 1nx7 s TRP 22 Ca 0.06 -0.27 -0.11 0.00 0.02 0.00 0.00 56.10 55.80 1nx7 s TRP 22 Cb -0.16 -1.21 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 1nx7 s TRP 22 CO -0.17 0.54 0.56 -0.48 0.02 0.00 0.00 176.95 177.42 1nx7 s LEU 23 N -2.93 0.39 -0.11 2.99 0.05 -0.88 -0.41 118.68 117.78 1nx7 s LEU 23 Ca 0.25 -1.09 0.01 0.00 0.05 0.00 0.00 54.13 53.35 1nx7 s LEU 23 Cb -0.08 2.00 0.02 0.00 -2.05 0.00 0.00 46.19 46.08 1nx7 s LEU 23 CO 0.14 -1.32 -0.15 -0.63 -0.55 0.00 0.00 176.35 173.85 1nx7 s ILE 24 N -3.40 1.51 -0.45 1.48 1.01 -0.24 -0.34 121.20 120.78 1nx7 s ILE 24 Ca 0.22 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1nx7 s ILE 24 Cb -0.02 -1.39 0.12 0.00 0.01 0.00 0.00 42.46 41.18 1nx7 s ILE 24 CO 0.12 0.44 0.17 -0.76 0.00 0.00 0.00 174.94 174.92 1nx7 s LEU 25 N 1.06 4.52 -0.86 2.97 1.02 0.16 0.19 118.68 127.75 1nx7 s LEU 25 Ca -0.05 -2.65 -0.03 0.00 0.02 0.00 0.00 54.13 51.42 1nx7 s LEU 25 Cb -0.15 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1nx7 s LEU 25 CO -0.03 -0.30 0.77 1.41 0.02 0.00 0.00 176.35 178.22 1nx7 n HIS 26 N 3.60 -2.75 0.00 0.29 8.25 -1.26 -3.44 115.22 119.91 1nx7 n HIS 26 Ca 0.05 1.01 0.00 0.00 -0.26 0.00 0.00 57.72 58.52 1nx7 n HIS 26 Cb 0.36 -4.05 0.00 0.00 1.12 0.00 0.00 29.99 27.43 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 -2.36 0.00 -2.61 4.41 4.01 -1.26 -4.93 117.16 114.42 1nx7 n TYR 27 Ca -0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 1nx7 n TYR 27 Cb 0.55 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 39.42 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 4.62 -0.25 -0.72 -0.14 -1.22 0.14 119.74 122.16 1nx7 s LYS 28 Ca 0.00 1.59 -0.12 0.00 -1.36 0.00 0.00 55.97 56.08 1nx7 s LYS 28 Cb 0.00 -3.34 -0.05 0.00 -1.68 0.00 0.00 37.83 32.76 1nx7 s LYS 28 CO 0.00 0.09 0.25 0.08 -0.76 0.00 0.00 175.35 175.00 1nx7 s VAL 29 N 0.09 5.29 -0.25 3.17 1.01 0.40 -0.66 120.40 129.45 1nx7 s VAL 29 Ca 0.50 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.74 1nx7 s VAL 29 Cb -0.26 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1nx7 s VAL 29 CO 0.32 0.28 0.07 -0.31 0.00 0.00 0.00 175.10 175.45 1nx7 s TYR 30 N 1.43 3.08 -0.36 5.22 1.51 0.54 -1.06 117.35 127.71 1nx7 s TYR 30 Ca 0.11 -0.43 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 1nx7 s TYR 30 Cb -0.15 -2.23 -0.12 0.00 -0.11 0.00 0.00 41.96 39.35 1nx7 s TYR 30 CO 0.07 -0.36 3.21 -0.40 -1.11 0.00 0.00 175.55 176.96 1nx7 n ASP 31 N 4.91 6.11 0.00 2.29 5.75 0.06 -2.07 116.55 133.62 1nx7 n ASP 31 Ca -0.16 -2.78 0.01 0.00 -0.01 0.00 0.00 54.79 51.84 1nx7 n ASP 31 Cb 0.51 -1.36 0.04 0.00 -1.03 0.00 0.00 41.12 39.28 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 1.97 0.00 -0.33 -2.12 4.77 -0.99 -4.13 117.00 116.17 1nx7 n LEU 32 Ca 0.49 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.64 1nx7 n LEU 32 Cb 0.70 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.19 1nx7 n LEU 32 CO 0.28 0.00 1.20 0.74 -1.33 0.00 0.00 177.39 178.28 1nx7 h THR 33 N 0.00 0.63 0.00 -5.08 2.02 -1.49 0.29 112.91 109.28 1nx7 h THR 33 Ca 0.00 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1nx7 h THR 33 Cb 0.00 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1nx7 h THR 33 CO 0.00 0.11 -1.44 2.29 0.37 0.00 0.00 175.52 176.85 1nx7 n LYS 34 N -4.72 0.63 0.16 6.66 -0.00 -1.26 -4.39 118.16 115.23 1nx7 n LYS 34 Ca 0.24 -0.01 0.01 0.00 -0.00 0.00 0.00 58.31 58.55 1nx7 n LYS 34 Cb 0.70 -1.70 0.23 0.00 -0.00 0.00 0.00 35.03 34.26 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1nx7 h PHE 35 N 0.00 0.00 -0.29 5.58 3.57 -0.75 -3.29 116.94 121.77 1nx7 h PHE 35 Ca -0.01 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1nx7 h PHE 35 Cb 1.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1nx7 h PHE 35 CO 0.00 0.53 -0.16 1.28 -2.23 0.00 0.00 178.31 177.73 1nx7 n LEU 36 N -3.72 -0.29 0.08 0.59 4.77 -0.41 -0.51 117.00 117.51 1nx7 n LEU 36 Ca -0.01 0.51 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 1nx7 n LEU 36 Cb 0.57 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1nx7 n LEU 36 CO 0.40 -0.43 0.30 -0.33 -1.33 0.00 0.00 177.39 176.01 1nx7 h GLU 37 N 0.00 0.27 -0.17 3.23 5.08 -1.88 -2.72 114.58 118.39 1nx7 h GLU 37 Ca 0.06 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 57.98 1nx7 h GLU 37 Cb 0.13 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nx7 h GLU 37 CO -0.27 0.94 -0.60 0.93 -1.00 0.00 0.00 179.01 179.01 1nx7 h GLU 38 N 0.17 0.70 -6.37 2.33 5.08 -0.95 -3.46 114.58 112.07 1nx7 h GLU 38 Ca -0.04 -0.53 -0.60 0.00 -1.00 0.00 0.00 59.36 57.19 1nx7 h GLU 38 Cb 1.40 0.10 0.03 0.00 0.50 0.00 0.00 28.75 30.78 1nx7 h GLU 38 CO 0.13 1.15 0.97 1.58 -1.00 0.00 0.00 179.01 181.83 1nx7 n HIS 39 N -4.09 2.29 0.23 4.33 -0.00 0.26 -4.89 115.22 113.36 1nx7 n HIS 39 Ca -0.07 0.12 0.15 0.00 0.46 0.00 0.00 57.72 58.38 1nx7 n HIS 39 Cb 0.65 -2.61 0.81 0.00 -0.12 0.00 0.00 29.99 28.72 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 7.81 0.00 -0.62 1.57 0.13 -1.91 0.15 132.00 139.12 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 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1nx7 h PRO 40 CO 0.92 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1nx7 n GLY 41 N -1.42 1.07 5.60 1.56 0.00 -1.26 -5.04 105.19 105.69 1nx7 n GLY 41 Ca -0.00 -0.21 0.03 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 0.39 -1.45 0.14 -0.02 0.00 0.52 -4.54 105.19 100.23 1nx7 n GLY 42 Ca 0.06 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.84 0.74 -0.29 1.61 0.00 -1.02 -4.58 120.64 115.26 1nx7 n GLU 43 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 57.16 57.38 1nx7 n GLU 43 Cb 0.11 -1.67 -0.00 0.00 0.00 0.00 0.00 31.44 29.88 1nx7 n GLU 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1nx7 n GLU 44 N -3.45 -0.21 -0.22 3.44 2.13 -1.26 0.21 120.64 121.28 1nx7 n GLU 44 Ca -0.35 1.11 -0.04 0.00 0.66 0.00 0.00 57.16 58.55 1nx7 n GLU 44 Cb 1.03 -1.64 0.07 0.00 0.27 0.00 0.00 31.44 31.17 1nx7 n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1nx7 h VAL 45 N 0.00 1.04 -0.14 6.31 -1.51 -1.81 0.19 116.25 120.34 1nx7 h VAL 45 Ca 0.21 -0.25 -0.21 0.00 -1.23 0.00 0.00 66.70 65.22 1nx7 h VAL 45 Cb 0.39 0.26 0.01 0.00 -2.13 0.00 0.00 31.29 29.82 1nx7 h VAL 45 CO -0.71 0.13 -0.75 -0.07 -1.23 0.00 0.00 177.57 174.94 1nx7 h LEU 46 N 0.72 0.82 -0.20 4.19 3.38 -0.48 -2.16 115.31 121.57 1nx7 h LEU 46 Ca 0.26 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1nx7 h LEU 46 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1nx7 h LEU 46 CO -0.12 1.31 0.09 -0.09 0.09 0.00 0.00 178.44 179.72 1nx7 h ARG 47 N 0.47 0.29 -0.56 1.13 2.43 -0.39 0.18 114.38 117.93 1nx7 h ARG 47 Ca -0.04 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1nx7 h ARG 47 Cb 1.37 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 1nx7 h ARG 47 CO 0.15 0.32 0.19 0.93 -1.51 0.00 0.00 179.97 180.05 1nx7 h GLU 48 N 0.19 0.36 -0.00 0.20 5.08 -0.56 -0.86 114.58 118.99 1nx7 h GLU 48 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1nx7 h GLU 48 Cb 0.13 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1nx7 h GLU 48 CO -0.01 0.24 -0.00 1.04 -1.00 0.00 0.00 179.01 179.28 1nx7 n GLN 49 N -5.02 0.99 -1.75 2.33 1.13 -0.82 -4.92 117.38 109.32 1nx7 n GLN 49 Ca 0.07 -0.04 -0.39 0.00 -1.94 0.00 0.00 57.00 54.71 1nx7 n GLN 49 Cb 0.25 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.14 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 -0.97 1.64 -1.28 -1.58 0.00 0.61 -2.77 120.51 116.17 1nx7 n ALA 50 Ca 0.23 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.72 1nx7 n ALA 50 Cb 0.13 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.18 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 0.74 1.02 3.81 0.00 0.00 0.45 -4.86 105.19 106.36 1nx7 n GLY 51 Ca 0.10 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.90 0.28 -0.29 -0.02 0.00 -1.11 -4.05 107.32 99.22 1nx7 s GLY 52 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 1nx7 s GLY 52 CO 0.00 -0.27 1.86 0.51 0.00 0.00 0.00 173.10 175.20 1nx7 s ASP 53 N -3.03 5.87 -0.17 1.64 -4.77 -1.26 -1.08 116.67 113.87 1nx7 s ASP 53 Ca 0.15 1.46 0.16 0.00 -3.30 0.00 0.00 52.55 51.02 1nx7 s ASP 53 Cb -0.05 -2.52 0.76 0.00 -1.09 0.00 0.00 42.92 40.02 1nx7 s ASP 53 CO 0.10 -1.70 1.68 0.00 0.70 0.00 0.00 175.17 175.95 1nx7 n ALA 54 N 10.32 3.44 -0.37 2.11 0.00 0.13 -4.56 120.51 131.57 1nx7 n ALA 54 Ca 0.24 -1.71 -0.04 0.00 0.00 0.00 0.00 53.44 51.93 1nx7 n ALA 54 Cb 0.46 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 4.05 0.02 -0.39 0.00 2.02 -0.92 0.19 112.91 117.88 1nx7 h THR 55 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1nx7 h THR 55 Cb 1.68 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1nx7 h THR 55 CO 0.35 0.00 -0.43 -0.08 0.37 0.00 0.00 175.52 175.72 1nx7 h GLU 56 N -0.03 -0.24 -0.32 6.66 4.57 -1.87 0.89 114.58 124.23 1nx7 h GLU 56 Ca 0.29 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.54 1nx7 h GLU 56 Cb 0.55 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 1nx7 h GLU 56 CO -0.94 -0.16 -0.02 -0.91 -1.18 0.00 0.00 179.01 175.80 1nx7 h ASN 57 N -0.25 -0.16 -0.52 1.04 4.21 -1.58 0.31 115.58 118.62 1nx7 h ASN 57 Ca 0.07 0.08 0.06 0.00 1.21 0.00 0.00 56.30 57.72 1nx7 h ASN 57 Cb 0.43 0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.72 1nx7 h ASN 57 CO -0.50 -0.04 0.21 0.15 -1.29 0.00 0.00 177.43 175.95 1nx7 h PHE 58 N 0.07 0.38 0.00 1.19 3.57 -0.04 -2.32 116.94 119.79 1nx7 h PHE 58 Ca 0.15 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.45 1nx7 h PHE 58 Cb 0.22 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1nx7 h PHE 58 CO -0.24 0.14 -1.19 0.93 -2.23 0.00 0.00 178.31 175.72 1nx7 h GLU 59 N 0.41 0.00 0.63 1.11 4.39 0.04 0.35 114.58 121.50 1nx7 h GLU 59 Ca 0.25 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 1nx7 h GLU 59 Cb 0.24 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1nx7 h GLU 59 CO -0.23 0.86 -0.30 0.22 -1.16 0.00 0.00 179.01 178.40 1nx7 h ASP 60 N 0.00 -0.71 0.16 1.42 3.58 -0.45 -2.53 116.42 117.89 1nx7 h ASP 60 Ca -0.09 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1nx7 h ASP 60 Cb 1.84 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 43.06 1nx7 h ASP 60 CO 0.12 -0.48 -0.20 0.58 -2.88 0.00 0.00 179.24 176.37 1nx7 h VAL 61 N -0.89 1.18 0.00 2.25 2.07 -1.46 -3.46 116.25 115.93 1nx7 h VAL 61 Ca -0.09 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1nx7 h VAL 61 Cb 0.66 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1nx7 h VAL 61 CO 0.14 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1nx7 n GLY 62 N -0.85 1.75 0.73 2.17 0.00 0.12 -4.82 105.19 104.29 1nx7 n GLY 62 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.75 -1.61 1.61 8.25 -1.26 -4.74 115.22 115.72 1nx7 n HIS 63 Ca 0.00 0.93 -0.38 0.00 -0.26 0.00 0.00 57.72 58.02 1nx7 n HIS 63 Cb 0.00 -2.34 0.05 0.00 1.12 0.00 0.00 29.99 28.82 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 -0.01 0.69 -0.17 0.41 7.64 -1.26 -4.46 113.62 116.47 1nx7 n SER 64 Ca 0.00 0.79 -0.09 0.00 1.01 0.00 0.00 58.87 60.58 1nx7 n SER 64 Cb 0.00 -1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 61.74 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 0.41 0.00 -0.98 0.44 2.02 -1.99 0.33 112.91 113.14 1nx7 h THR 65 Ca -0.49 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.01 1nx7 h THR 65 Cb 1.37 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.60 1nx7 h THR 65 CO 0.50 0.00 0.24 0.44 0.37 0.00 0.00 175.52 177.07 1nx7 h ASP 66 N -0.19 -0.14 0.01 4.18 5.19 -1.98 0.12 116.42 123.62 1nx7 h ASP 66 Ca 0.07 0.26 -0.25 0.00 -0.62 0.00 0.00 57.03 56.50 1nx7 h ASP 66 Cb 0.38 0.38 0.02 0.00 0.18 0.00 0.00 39.33 40.29 1nx7 h ASP 66 CO -0.51 -0.36 -0.99 0.00 -3.12 0.00 0.00 179.24 174.26 1nx7 h ALA 67 N 1.97 0.10 -0.45 3.45 0.00 -0.80 0.30 119.26 123.83 1nx7 h ALA 67 Ca 0.68 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1nx7 h ALA 67 Cb 1.58 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1nx7 h ALA 67 CO -0.84 0.63 0.21 -0.09 0.00 0.00 0.00 179.25 179.16 1nx7 h ARG 68 N 0.29 0.41 0.02 0.00 2.43 0.12 -0.74 114.38 116.92 1nx7 h ARG 68 Ca -0.13 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.81 1nx7 h ARG 68 Cb 1.66 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1nx7 h ARG 68 CO 0.19 0.27 -0.94 0.93 -1.51 0.00 0.00 179.97 178.91 1nx7 h GLU 69 N 0.42 0.20 -0.51 0.20 4.39 -0.64 -2.70 114.58 115.93 1nx7 h GLU 69 Ca 0.20 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1nx7 h GLU 69 Cb 0.13 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1nx7 h GLU 69 CO -0.15 1.00 0.18 1.25 -1.16 0.00 0.00 179.01 180.13 1nx7 h LEU 70 N 0.10 0.18 -1.62 1.33 5.85 -0.20 -2.78 115.31 118.17 1nx7 h LEU 70 Ca -0.05 0.06 0.34 0.00 0.84 0.00 0.00 57.88 59.07 1nx7 h LEU 70 Cb 1.60 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.59 1nx7 h LEU 70 CO 0.14 0.13 0.81 0.77 -0.34 0.00 0.00 178.44 179.95 1nx7 h SER 71 N 0.36 0.23 -0.61 1.25 4.64 -0.78 -0.75 113.55 117.88 1nx7 h SER 71 Ca 0.25 0.06 0.13 0.00 -0.47 0.00 0.00 61.79 61.76 1nx7 h SER 71 Cb 0.27 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 1nx7 h SER 71 CO -0.25 -0.00 0.42 0.11 -0.87 0.00 0.00 176.83 176.24 1nx7 h LYS 72 N 0.18 0.26 -0.21 4.77 1.79 -1.58 -0.22 116.57 121.55 1nx7 h LYS 72 Ca 0.65 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 59.16 1nx7 h LYS 72 Cb 2.09 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.68 1nx7 h LYS 72 CO -0.21 0.17 0.20 1.79 -1.08 0.00 0.00 179.45 180.32 1nx7 h THR 73 N 0.26 0.60 -0.05 -0.16 1.35 -1.32 -2.35 112.91 111.23 1nx7 h THR 73 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1nx7 h THR 73 Cb 0.79 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1nx7 h THR 73 CO -0.06 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.70 1nx7 n PHE 74 N -4.02 0.05 -2.23 4.73 3.72 -0.09 -4.89 117.46 114.73 1nx7 n PHE 74 Ca 0.02 -0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1nx7 n PHE 74 Cb 0.33 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.95 3.79 -0.13 4.37 1.01 -0.89 -0.76 121.20 126.64 1nx7 s ILE 75 Ca 0.34 0.83 0.19 0.00 0.00 0.00 0.00 60.65 62.00 1nx7 s ILE 75 Cb 0.20 -3.97 -0.27 0.00 0.01 0.00 0.00 42.46 38.44 1nx7 s ILE 75 CO 0.32 -0.55 0.22 2.30 0.00 0.00 0.00 174.94 177.22 1nx7 n ILE 76 N 6.94 0.81 -3.72 2.92 -5.35 -0.22 -4.91 119.36 115.83 1nx7 n ILE 76 Ca 0.18 -0.68 -0.07 0.00 -0.27 0.00 0.00 62.75 61.91 1nx7 n ILE 76 Cb 0.47 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 38.07 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 1.62 2.32 3.47 3.28 0.00 -1.13 -1.22 105.19 113.53 1nx7 n GLY 77 Ca -0.21 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.33 1.13 -0.09 1.61 2.12 -0.83 -0.45 118.70 119.85 1nx7 s GLU 78 Ca 0.13 -0.21 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 1nx7 s GLU 78 Cb -0.01 0.52 -0.07 0.00 0.26 0.00 0.00 34.13 34.84 1nx7 s GLU 78 CO 0.10 -0.45 2.01 -1.17 -0.54 0.00 0.00 175.26 175.21 1nx7 s LEU 79 N -2.18 4.00 0.06 2.70 2.96 0.12 -0.22 118.68 126.12 1nx7 s LEU 79 Ca -0.02 2.24 -0.33 0.00 -0.22 0.00 0.00 54.13 55.80 1nx7 s LEU 79 Cb -0.01 -3.52 -0.18 0.00 0.50 0.00 0.00 46.19 42.98 1nx7 s LEU 79 CO -0.05 -1.42 0.82 1.57 -1.32 0.00 0.00 176.35 175.95 1nx7 n HIS 80 N 9.19 0.24 0.00 5.38 -0.00 0.47 -4.68 115.22 125.82 1nx7 n HIS 80 Ca 0.23 0.96 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 1nx7 n HIS 80 Cb 0.43 -1.90 0.00 0.00 -0.00 0.00 0.00 29.99 28.52 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 1.24 0.00 -0.07 1.57 -0.04 -1.26 -0.34 135.00 136.09 1nx7 n PRO 81 Ca 0.18 0.32 -0.04 0.00 -0.04 0.00 0.00 63.50 63.92 1nx7 n PRO 81 Cb 0.13 -1.55 -0.16 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.30 0.02 0.11 3.54 2.03 -1.26 -4.53 116.55 115.16 1nx7 n ASP 82 Ca 0.00 0.01 0.03 0.00 0.52 0.00 0.00 54.79 55.35 1nx7 n ASP 82 Cb 0.05 1.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.72 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 0.00 0.00 1.67 3.58 -1.01 -3.54 116.42 117.13 1nx7 h ASP 83 Ca -0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1nx7 h ASP 83 Cb 1.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.91 1nx7 h ASP 83 CO 0.02 0.46 0.00 -2.11 -2.88 0.00 0.00 179.24 174.74