#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 2.27 -0.23 0.00 0.11 -1.26 -4.89 120.40 116.41 1nx7 s VAL 4 Ca 0.00 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 1nx7 s VAL 4 Cb 0.00 -3.06 0.06 0.00 -1.53 0.00 0.00 36.38 31.85 1nx7 s VAL 4 CO 0.00 -0.04 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.13 1nx7 s LYS 5 N -3.38 1.67 -0.36 1.54 1.02 -1.25 -5.01 119.74 113.98 1nx7 s LYS 5 Ca 0.80 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 55.56 1nx7 s LYS 5 Cb -0.34 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1nx7 s LYS 5 CO 0.37 -0.57 1.36 0.71 -0.92 0.00 0.00 175.35 176.31 1nx7 s TYR 6 N 1.41 2.53 -0.02 3.18 2.02 -1.26 -1.18 117.35 124.03 1nx7 s TYR 6 Ca -0.05 0.76 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 1nx7 s TYR 6 Cb -0.18 -4.12 -0.03 0.00 -0.40 0.00 0.00 41.96 37.22 1nx7 s TYR 6 CO -0.07 -1.88 -0.14 0.71 -1.57 0.00 0.00 175.55 172.61 1nx7 s TYR 7 N 4.93 2.71 0.51 2.71 2.02 0.19 -4.66 117.35 125.75 1nx7 s TYR 7 Ca 0.59 -0.16 -0.04 0.00 -0.37 0.00 0.00 57.07 57.09 1nx7 s TYR 7 Cb -0.15 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1nx7 s TYR 7 CO 0.28 0.24 0.79 -0.08 -1.57 0.00 0.00 175.55 175.22 1nx7 s THR 8 N -0.84 4.25 0.42 -0.71 -1.32 -1.26 -0.40 115.64 115.78 1nx7 s THR 8 Ca 0.13 -0.05 0.27 0.00 -1.21 0.00 0.00 61.69 60.83 1nx7 s THR 8 Cb -0.11 -3.63 0.45 0.00 -1.51 0.00 0.00 72.50 67.70 1nx7 s THR 8 CO 0.03 -0.58 1.62 -0.07 -2.21 0.00 0.00 174.62 173.41 1nx7 h LEU 9 N 0.13 0.28 0.34 9.08 3.38 -1.96 -0.36 115.31 126.20 1nx7 h LEU 9 Ca -0.46 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1nx7 h LEU 9 Cb 1.24 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1nx7 h LEU 9 CO 0.60 -0.23 -0.42 -0.08 0.09 0.00 0.00 178.44 178.41 1nx7 h GLU 10 N 0.09 -0.75 -0.90 1.13 4.57 -1.95 0.45 114.58 117.23 1nx7 h GLU 10 Ca 0.82 0.05 0.21 0.00 -1.18 0.00 0.00 59.36 59.26 1nx7 h GLU 10 Cb 2.44 0.17 -0.17 0.00 -0.16 0.00 0.00 28.75 31.03 1nx7 h GLU 10 CO -0.51 -0.50 -0.12 0.39 -1.18 0.00 0.00 179.01 177.10 1nx7 n GLU 11 N -4.92 -0.08 -0.11 1.92 4.71 -0.18 0.14 120.64 122.13 1nx7 n GLU 11 Ca -0.09 1.38 -0.10 0.00 -0.01 0.00 0.00 57.16 58.34 1nx7 n GLU 11 Cb 0.37 -2.12 0.05 0.00 -1.01 0.00 0.00 31.44 28.72 1nx7 n GLU 11 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nx7 h ILE 12 N 0.00 1.27 -0.63 -3.67 5.03 -1.09 -3.21 117.51 115.21 1nx7 h ILE 12 Ca 0.48 -1.41 -0.03 0.00 -0.12 0.00 0.00 64.86 63.78 1nx7 h ILE 12 Cb 0.87 1.25 -0.03 0.00 -3.03 0.00 0.00 36.82 35.88 1nx7 h ILE 12 CO -0.89 0.47 0.25 -0.61 -0.68 0.00 0.00 178.15 176.70 1nx7 h GLN 13 N 0.73 0.92 0.00 2.37 4.15 0.41 0.19 115.11 123.87 1nx7 h GLN 13 Ca 0.09 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1nx7 h GLN 13 Cb 0.81 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1nx7 h GLN 13 CO 0.07 0.75 0.00 1.63 -1.93 0.00 0.00 178.83 179.35 1nx7 n LYS 14 N -4.32 0.26 -3.66 1.69 5.02 -0.02 -4.27 118.16 112.87 1nx7 n LYS 14 Ca 0.05 0.12 -0.28 0.00 -2.02 0.00 0.00 58.31 56.19 1nx7 n LYS 14 Cb 0.17 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.23 1.34 -2.10 2.13 8.25 0.66 -4.92 115.22 119.35 1nx7 n HIS 15 Ca 0.08 -3.85 -0.06 0.00 -0.26 0.00 0.00 57.72 53.63 1nx7 n HIS 15 Cb 0.10 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 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 2.34 -1.05 -2.00 0.41 6.94 -0.30 -0.97 115.26 120.64 1nx7 n ASN 16 Ca 0.25 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 1nx7 n ASN 16 Cb 0.41 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.18 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 -0.22 0.86 -3.97 0.53 4.13 0.10 -4.88 115.26 111.80 1nx7 n ASN 17 Ca -0.26 -1.00 -0.37 0.00 1.68 0.00 0.00 54.58 54.63 1nx7 n ASN 17 Cb 0.73 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.90 1nx7 n ASN 17 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1nx7 n SER 18 N -2.14 2.47 0.00 6.41 7.64 -1.26 -3.77 113.62 122.97 1nx7 n SER 18 Ca 0.00 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1nx7 n SER 18 Cb 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1nx7 n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1nx7 n LYS 19 N 7.59 0.00 -1.52 1.43 3.00 -1.26 -5.08 118.16 122.32 1nx7 n LYS 19 Ca 0.47 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.41 1nx7 n LYS 19 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.36 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1nx7 n SER 20 N 0.00 1.22 -3.66 3.14 7.64 -1.25 -4.58 113.62 116.13 1nx7 n SER 20 Ca 0.00 -0.19 -0.26 0.00 1.01 0.00 0.00 58.87 59.43 1nx7 n SER 20 Cb 0.00 -1.24 -0.17 0.00 -1.01 0.00 0.00 64.21 61.79 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 10.45 0.12 0.11 0.44 2.01 -1.26 0.01 115.64 127.53 1nx7 s THR 21 Ca 1.17 -0.22 0.10 0.00 0.31 0.00 0.00 61.69 63.05 1nx7 s THR 21 Cb -0.72 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1nx7 s THR 21 CO 0.38 -0.19 -0.22 0.26 -0.69 0.00 0.00 174.62 174.16 1nx7 s TRP 22 N 2.05 2.45 0.33 4.92 0.52 -0.14 -1.58 118.94 127.49 1nx7 s TRP 22 Ca 0.02 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.77 1nx7 s TRP 22 Cb -0.16 -1.32 0.01 0.00 -1.15 0.00 0.00 33.47 30.84 1nx7 s TRP 22 CO -0.08 0.35 0.50 -0.48 0.02 0.00 0.00 176.95 177.25 1nx7 s LEU 23 N -2.01 0.83 -0.08 2.99 0.05 -0.85 -0.44 118.68 119.17 1nx7 s LEU 23 Ca 0.16 -1.38 0.04 0.00 0.05 0.00 0.00 54.13 53.00 1nx7 s LEU 23 Cb -0.10 1.61 0.00 0.00 -2.05 0.00 0.00 46.19 45.65 1nx7 s LEU 23 CO 0.08 -1.30 -0.21 -0.63 -0.55 0.00 0.00 176.35 173.73 1nx7 s ILE 24 N -3.13 1.80 -0.48 1.48 1.01 -0.49 -0.38 121.20 121.00 1nx7 s ILE 24 Ca 0.28 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1nx7 s ILE 24 Cb -0.01 -1.56 0.13 0.00 0.01 0.00 0.00 42.46 41.04 1nx7 s ILE 24 CO 0.18 0.50 0.26 -0.76 0.00 0.00 0.00 174.94 175.12 1nx7 s LEU 25 N 0.26 3.42 -0.57 2.97 1.02 0.51 0.23 118.68 126.53 1nx7 s LEU 25 Ca -0.13 -2.83 -0.09 0.00 0.02 0.00 0.00 54.13 51.10 1nx7 s LEU 25 Cb -0.16 -1.30 0.01 0.00 0.02 0.00 0.00 46.19 44.76 1nx7 s LEU 25 CO 0.06 -0.25 0.64 1.41 0.02 0.00 0.00 176.35 178.24 1nx7 n HIS 26 N 3.31 -3.26 0.00 0.29 8.25 -1.26 -3.63 115.22 118.91 1nx7 n HIS 26 Ca 0.08 1.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.82 1nx7 n HIS 26 Cb 0.34 -4.09 0.00 0.00 1.12 0.00 0.00 29.99 27.35 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 -0.96 0.00 -3.21 4.41 4.19 -1.26 -4.92 117.16 115.41 1nx7 n TYR 27 Ca 0.06 0.00 -0.34 0.00 3.31 0.00 0.00 57.90 60.93 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 4.06 -0.22 2.98 1.02 -1.24 0.27 119.74 126.60 1nx7 s LYS 28 Ca 0.00 0.65 -0.07 0.00 0.02 0.00 0.00 55.97 56.56 1nx7 s LYS 28 Cb 0.00 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1nx7 s LYS 28 CO 0.00 0.34 0.07 0.08 -0.92 0.00 0.00 175.35 174.91 1nx7 s VAL 29 N -1.68 4.49 -0.23 3.17 1.01 0.81 -0.36 120.40 127.61 1nx7 s VAL 29 Ca 0.45 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 1nx7 s VAL 29 Cb -0.14 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1nx7 s VAL 29 CO 0.20 0.38 0.01 -0.31 0.00 0.00 0.00 175.10 175.38 1nx7 s TYR 30 N 1.14 3.03 -1.36 5.22 1.51 0.48 -0.99 117.35 126.37 1nx7 s TYR 30 Ca 0.04 -0.61 -0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1nx7 s TYR 30 Cb -0.14 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1nx7 s TYR 30 CO 0.03 -0.40 2.67 -0.40 -1.11 0.00 0.00 175.55 176.35 1nx7 n ASP 31 N 4.71 8.19 -2.00 2.29 5.75 0.18 -2.00 116.55 133.66 1nx7 n ASP 31 Ca -0.17 -2.90 -0.13 0.00 -0.01 0.00 0.00 54.79 51.58 1nx7 n ASP 31 Cb 0.51 -1.44 -0.13 0.00 -1.03 0.00 0.00 41.12 39.04 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 2.44 5.46 0.10 -2.12 4.77 -0.61 -4.08 117.00 122.96 1nx7 n LEU 32 Ca 0.68 -3.21 0.12 0.00 -0.03 0.00 0.00 56.01 53.57 1nx7 n LEU 32 Cb 0.27 -1.35 0.11 0.00 -2.33 0.00 0.00 43.42 40.13 1nx7 n LEU 32 CO 0.72 1.60 0.29 0.74 -1.33 0.00 0.00 177.39 179.41 1nx7 h THR 33 N 1.84 0.00 0.00 -5.08 2.02 -1.65 -3.34 112.91 106.69 1nx7 h THR 33 Ca 0.20 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1nx7 h THR 33 Cb 1.32 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1nx7 h THR 33 CO 0.31 0.00 -0.94 0.29 0.37 0.00 0.00 175.52 175.55 1nx7 n LYS 34 N -2.48 2.42 -0.03 6.66 4.76 -1.26 -4.68 118.16 123.56 1nx7 n LYS 34 Ca 0.02 0.00 0.19 0.00 -2.87 0.00 0.00 58.31 55.65 1nx7 n LYS 34 Cb 0.50 -0.97 0.65 0.00 -1.84 0.00 0.00 35.03 33.37 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1nx7 h PHE 35 N 0.00 0.10 -0.50 2.13 3.57 -1.81 -1.46 116.94 118.97 1nx7 h PHE 35 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1nx7 h PHE 35 Cb 0.57 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1nx7 h PHE 35 CO 0.00 0.04 -0.21 1.28 -2.23 0.00 0.00 178.31 177.19 1nx7 n LEU 36 N -4.40 -0.35 0.14 0.59 4.77 -1.25 -0.43 117.00 116.07 1nx7 n LEU 36 Ca 0.10 0.87 0.01 0.00 -0.03 0.00 0.00 56.01 56.96 1nx7 n LEU 36 Cb 0.57 -0.19 0.15 0.00 -2.33 0.00 0.00 43.42 41.63 1nx7 n LEU 36 CO 0.36 -0.77 0.50 -0.33 -1.33 0.00 0.00 177.39 175.81 1nx7 h GLU 37 N 0.00 0.00 0.17 3.23 3.07 -1.60 -3.26 114.58 116.19 1nx7 h GLU 37 Ca 0.16 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.75 1nx7 h GLU 37 Cb 0.29 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1nx7 h GLU 37 CO -0.49 0.58 -1.30 0.93 -1.40 0.00 0.00 179.01 177.33 1nx7 h GLU 38 N 0.00 0.37 -6.34 2.33 5.08 -1.03 -3.48 114.58 111.50 1nx7 h GLU 38 Ca -0.01 -0.63 -0.61 0.00 -1.00 0.00 0.00 59.36 57.12 1nx7 h GLU 38 Cb 1.19 0.23 0.03 0.00 0.50 0.00 0.00 28.75 30.71 1nx7 h GLU 38 CO 0.08 1.30 1.00 1.58 -1.00 0.00 0.00 179.01 181.96 1nx7 n HIS 39 N -3.88 2.30 0.27 4.33 -0.00 0.43 -4.89 115.22 113.77 1nx7 n HIS 39 Ca -0.19 0.09 0.13 0.00 0.46 0.00 0.00 57.72 58.21 1nx7 n HIS 39 Cb 0.96 -2.62 0.81 0.00 -0.12 0.00 0.00 29.99 29.02 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 8.15 0.00 0.00 1.57 0.13 -1.91 0.83 132.00 140.77 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 0.93 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 1nx7 n GLY 41 N -1.41 -0.95 3.51 1.56 0.00 -1.26 -5.03 105.19 101.60 1nx7 n GLY 41 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.53 -1.92 0.13 -0.02 0.00 0.28 -4.54 105.19 99.65 1nx7 n GLY 42 Ca 0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.56 0.63 -0.22 1.61 0.28 -1.23 -4.51 120.64 115.65 1nx7 n GLU 43 Ca 0.00 0.33 0.02 0.00 -0.16 0.00 0.00 57.16 57.35 1nx7 n GLU 43 Cb 0.14 -1.61 0.11 0.00 1.43 0.00 0.00 31.44 31.50 1nx7 n GLU 43 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1nx7 h GLU 44 N -0.58 0.09 -0.74 3.44 4.39 -1.91 0.60 114.58 119.87 1nx7 h GLU 44 Ca -0.53 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.30 1nx7 h GLU 44 Cb 1.67 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 30.21 1nx7 h GLU 44 CO -0.19 0.06 0.31 -0.39 -1.16 0.00 0.00 179.01 177.64 1nx7 h VAL 45 N 0.09 0.70 -0.19 3.13 -1.51 -1.80 0.39 116.25 117.07 1nx7 h VAL 45 Ca 0.34 -0.16 -0.08 0.00 -1.23 0.00 0.00 66.70 65.56 1nx7 h VAL 45 Cb 0.56 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.90 1nx7 h VAL 45 CO -0.58 0.09 -0.21 -0.07 -1.23 0.00 0.00 177.57 175.56 1nx7 h LEU 46 N 0.48 0.51 -1.22 4.19 3.38 -1.20 -1.18 115.31 120.27 1nx7 h LEU 46 Ca 0.40 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1nx7 h LEU 46 Cb 0.57 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1nx7 h LEU 46 CO -0.37 0.90 0.56 -0.09 0.09 0.00 0.00 178.44 179.53 1nx7 h ARG 47 N 0.13 0.90 -0.33 1.13 1.12 -0.08 0.42 114.38 117.67 1nx7 h ARG 47 Ca 0.03 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.70 1nx7 h ARG 47 Cb 0.77 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 1nx7 h ARG 47 CO 0.05 0.60 -0.34 0.93 -3.11 0.00 0.00 179.97 178.10 1nx7 h GLU 48 N 0.93 0.82 0.00 0.20 5.08 -0.07 -2.82 114.58 118.72 1nx7 h GLU 48 Ca 0.37 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1nx7 h GLU 48 Cb 0.25 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nx7 h GLU 48 CO -0.14 1.07 -0.16 1.96 -1.00 0.00 0.00 179.01 180.74 1nx7 h GLN 49 N 0.60 0.00 -6.33 2.33 1.08 -0.61 -3.47 115.11 108.71 1nx7 h GLN 49 Ca 0.05 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.61 1nx7 h GLN 49 Cb 0.92 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.43 1nx7 h GLN 49 CO 0.08 0.16 0.20 0.00 -0.95 0.00 0.00 178.83 178.33 1nx7 n ALA 50 N -2.21 -0.89 -1.09 3.87 0.00 0.14 -2.37 120.51 117.97 1nx7 n ALA 50 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1nx7 n ALA 50 Cb 0.36 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.89 0.55 3.76 0.00 0.00 0.41 -4.80 105.19 107.00 1nx7 n GLY 51 Ca 0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.82 -0.19 -0.04 -0.02 0.00 -1.00 -4.30 107.32 98.96 1nx7 s GLY 52 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 1nx7 s GLY 52 CO 0.00 0.44 1.60 -0.35 0.00 0.00 0.00 173.10 174.80 1nx7 s ASP 53 N -3.03 6.70 -0.20 1.64 -1.08 -1.26 -1.40 116.67 118.03 1nx7 s ASP 53 Ca 0.14 2.22 0.15 0.00 -0.52 0.00 0.00 52.55 54.55 1nx7 s ASP 53 Cb -0.01 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.44 1nx7 s ASP 53 CO 0.02 -0.89 1.44 0.00 0.52 0.00 0.00 175.17 176.27 1nx7 n ALA 54 N 6.68 3.27 -0.26 3.66 0.00 0.14 -4.58 120.51 129.41 1nx7 n ALA 54 Ca 0.16 -2.47 0.07 0.00 0.00 0.00 0.00 53.44 51.21 1nx7 n ALA 54 Cb 0.43 -0.74 0.19 0.00 0.00 0.00 0.00 19.45 19.33 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 1.65 0.35 0.00 0.00 2.02 -1.66 0.29 112.91 115.56 1nx7 h THR 55 Ca 0.05 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nx7 h THR 55 Cb 1.51 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1nx7 h THR 55 CO 0.27 0.03 0.00 1.21 0.37 0.00 0.00 175.52 177.40 1nx7 n GLU 56 N -5.30 0.00 -0.28 6.66 2.13 -1.26 -0.44 120.64 122.15 1nx7 n GLU 56 Ca 0.15 0.59 -0.05 0.00 0.66 0.00 0.00 57.16 58.51 1nx7 n GLU 56 Cb 0.51 -0.93 0.06 0.00 0.27 0.00 0.00 31.44 31.36 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 0.99 -0.99 4.31 2.35 -1.58 0.29 115.58 120.95 1nx7 h ASN 57 Ca 0.00 -0.11 0.18 0.00 -0.55 0.00 0.00 56.30 55.81 1nx7 h ASN 57 Cb 0.00 -0.25 -0.10 0.00 0.05 0.00 0.00 38.32 38.02 1nx7 h ASN 57 CO 0.00 0.82 0.61 0.15 -1.65 0.00 0.00 177.43 177.37 1nx7 h PHE 58 N 1.09 1.01 0.05 1.19 3.57 -0.10 0.09 116.94 123.85 1nx7 h PHE 58 Ca 0.27 0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.50 1nx7 h PHE 58 Cb 0.07 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1nx7 h PHE 58 CO 0.01 0.27 -1.64 0.39 -2.23 0.00 0.00 178.31 175.11 1nx7 n GLU 59 N -4.70 0.65 -0.03 1.11 -0.58 0.42 -1.17 120.64 116.34 1nx7 n GLU 59 Ca 0.22 0.43 -0.11 0.00 -0.42 0.00 0.00 57.16 57.27 1nx7 n GLU 59 Cb 0.54 -1.72 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 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 -0.54 0.19 -0.58 1.62 3.58 -0.45 -0.38 116.42 119.86 1nx7 h ASP 60 Ca -0.40 -0.21 -0.38 0.00 0.42 0.00 0.00 57.03 56.47 1nx7 h ASP 60 Cb 1.63 -0.05 -0.17 0.00 1.72 0.00 0.00 39.33 42.46 1nx7 h ASP 60 CO -0.09 0.35 0.49 0.52 -2.88 0.00 0.00 179.24 177.62 1nx7 n VAL 61 N -4.86 2.85 0.00 2.25 0.31 0.01 -4.96 118.33 113.93 1nx7 n VAL 61 Ca -0.05 -1.79 0.00 0.00 -0.01 0.00 0.00 64.34 62.49 1nx7 n VAL 61 Cb 0.14 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 0.00 0.00 3.75 2.92 0.00 -0.15 -4.83 105.19 106.88 1nx7 n GLY 62 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 1nx7 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nx7 s HIS 63 N 0.00 2.34 0.72 1.61 3.76 -0.32 -4.96 115.29 118.44 1nx7 s HIS 63 Ca 0.00 1.38 -0.15 0.00 -0.15 0.00 0.00 55.06 56.14 1nx7 s HIS 63 Cb 0.00 -3.78 0.03 0.00 1.11 0.00 0.00 32.58 29.94 1nx7 s HIS 63 CO 0.00 -2.80 1.20 -1.12 -0.85 0.00 0.00 174.74 171.17 1nx7 s SER 64 N -0.95 4.31 0.12 1.40 0.01 -1.26 -4.67 113.70 112.66 1nx7 s SER 64 Ca 0.70 2.32 -0.29 0.00 1.31 0.00 0.00 55.95 59.99 1nx7 s SER 64 Cb -0.40 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.15 1nx7 s SER 64 CO 0.47 -2.19 1.49 0.74 0.41 0.00 0.00 173.24 174.17 1nx7 h THR 65 N -0.23 0.00 -1.00 1.44 2.02 -1.98 0.17 112.91 113.32 1nx7 h THR 65 Ca -0.48 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.09 1nx7 h THR 65 Cb 1.29 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.53 1nx7 h THR 65 CO 0.50 0.00 0.52 0.44 0.37 0.00 0.00 175.52 177.35 1nx7 h ASP 66 N -0.29 0.32 0.23 4.18 5.19 -1.98 0.67 116.42 124.74 1nx7 h ASP 66 Ca 0.08 0.24 -0.32 0.00 -0.62 0.00 0.00 57.03 56.41 1nx7 h ASP 66 Cb 0.50 0.25 0.03 0.00 0.18 0.00 0.00 39.33 40.29 1nx7 h ASP 66 CO -0.59 -0.36 -1.44 0.00 -3.12 0.00 0.00 179.24 173.73 1nx7 h ALA 67 N 1.96 -0.10 -0.92 3.45 0.00 -1.13 0.24 119.26 122.76 1nx7 h ALA 67 Ca 0.81 -0.89 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nx7 h ALA 67 Cb 2.04 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.99 1nx7 h ALA 67 CO -0.74 0.71 0.57 0.00 0.00 0.00 0.00 179.25 179.79 1nx7 h ARG 68 N 0.06 0.97 0.06 0.00 3.08 0.03 0.13 114.38 118.71 1nx7 h ARG 68 Ca -0.26 -0.06 -0.26 0.00 0.07 0.00 0.00 59.98 59.47 1nx7 h ARG 68 Cb 2.09 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.90 1nx7 h ARG 68 CO 0.24 0.64 -1.29 0.93 -1.07 0.00 0.00 179.97 179.42 1nx7 h GLU 69 N 0.99 0.13 -0.31 0.04 4.39 -0.77 -3.22 114.58 115.83 1nx7 h GLU 69 Ca 0.42 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.92 1nx7 h GLU 69 Cb 0.28 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1nx7 h GLU 69 CO -0.21 1.02 0.16 1.25 -1.16 0.00 0.00 179.01 180.07 1nx7 h LEU 70 N 0.04 0.24 -1.69 1.33 5.85 -0.29 -3.20 115.31 117.59 1nx7 h LEU 70 Ca -0.14 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.84 1nx7 h LEU 70 Cb 1.91 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.85 1nx7 h LEU 70 CO 0.15 0.18 0.64 0.77 -0.34 0.00 0.00 178.44 179.83 1nx7 h SER 71 N 0.33 0.25 -0.90 1.25 4.64 -0.74 -1.54 113.55 116.83 1nx7 h SER 71 Ca 0.13 0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.67 1nx7 h SER 71 Cb 0.04 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 1nx7 h SER 71 CO -0.08 0.08 0.59 0.11 -0.87 0.00 0.00 176.83 176.66 1nx7 h LYS 72 N 0.24 0.45 -0.17 4.77 1.79 -1.67 -0.13 116.57 121.85 1nx7 h LYS 72 Ca 0.48 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.97 1nx7 h LYS 72 Cb 1.47 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1nx7 h LYS 72 CO -0.13 0.30 0.28 1.79 -1.08 0.00 0.00 179.45 180.61 1nx7 h THR 73 N 0.46 0.26 -0.38 -0.16 1.35 -1.50 -1.67 112.91 111.27 1nx7 h THR 73 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 1nx7 h THR 73 Cb 1.09 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1nx7 h THR 73 CO -0.19 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.57 1nx7 n PHE 74 N -3.44 0.49 -2.34 4.73 3.72 -0.06 -4.94 117.46 115.62 1nx7 n PHE 74 Ca 0.01 -0.24 -0.43 0.00 -0.05 0.00 0.00 57.45 56.75 1nx7 n PHE 74 Cb 0.39 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.51 4.11 -0.03 4.37 1.01 -0.63 -0.65 121.20 127.86 1nx7 s ILE 75 Ca 0.38 1.36 0.09 0.00 0.00 0.00 0.00 60.65 62.49 1nx7 s ILE 75 Cb 0.22 -3.88 -0.14 0.00 0.01 0.00 0.00 42.46 38.67 1nx7 s ILE 75 CO 0.31 -0.10 0.17 2.30 0.00 0.00 0.00 174.94 177.62 1nx7 n ILE 76 N 5.29 0.17 -3.35 2.92 -5.35 -0.16 -4.95 119.36 113.92 1nx7 n ILE 76 Ca 0.14 -0.27 -0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1nx7 n ILE 76 Cb 0.44 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 2.07 1.44 3.48 3.28 0.00 -1.21 -3.88 105.19 110.37 1nx7 n GLY 77 Ca -0.05 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 1.34 0.02 1.61 2.02 -0.33 -0.14 118.70 121.22 1nx7 s GLU 78 Ca 0.01 -0.63 -0.32 0.00 0.02 0.00 0.00 54.97 54.05 1nx7 s GLU 78 Cb -0.00 0.57 -0.11 0.00 0.10 0.00 0.00 34.13 34.69 1nx7 s GLU 78 CO 0.00 -0.58 1.89 -0.11 0.02 0.00 0.00 175.26 176.48 1nx7 n LEU 79 N -0.37 3.80 -4.56 1.80 7.94 0.14 0.55 117.00 126.30 1nx7 n LEU 79 Ca -0.14 0.96 -0.59 0.00 -1.11 0.00 0.00 56.01 55.13 1nx7 n LEU 79 Cb 0.64 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.04 1nx7 n LEU 79 CO 0.14 0.07 0.76 1.57 -1.11 0.00 0.00 177.39 178.81 1nx7 n HIS 80 N 6.55 1.04 0.30 1.96 -0.00 0.47 -4.75 115.22 120.79 1nx7 n HIS 80 Ca 0.20 0.97 0.03 0.00 -0.00 0.00 0.00 57.72 58.92 1nx7 n HIS 80 Cb 0.35 -2.17 0.15 0.00 -0.00 0.00 0.00 29.99 28.32 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 2.25 0.13 -0.02 1.57 -0.04 -1.26 -0.79 135.00 136.84 1nx7 n PRO 81 Ca 0.22 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 1nx7 n PRO 81 Cb 0.08 -1.50 -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 -1.14 0.06 -0.78 3.54 2.03 -1.26 -4.39 116.55 114.60 1nx7 n ASP 82 Ca 0.03 0.02 0.04 0.00 0.52 0.00 0.00 54.79 55.41 1nx7 n ASP 82 Cb 0.03 1.70 0.15 0.00 -0.72 0.00 0.00 41.12 42.27 1nx7 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nx7 n ASP 83 N -2.39 2.19 0.00 1.67 -0.08 0.03 -5.20 116.55 112.77 1nx7 n ASP 83 Ca -0.09 -2.17 0.00 0.00 -1.51 0.00 0.00 54.79 51.01 1nx7 n ASP 83 Cb 0.69 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86