#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 -0.49 0.00 0.11 -1.26 -4.94 120.40 113.81 1nx7 s VAL 4 Ca 0.00 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 1nx7 s VAL 4 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 1nx7 s VAL 4 CO 0.00 0.00 0.49 -0.54 -3.33 0.00 0.00 175.10 171.72 1nx7 s LYS 5 N 0.22 3.03 -0.01 1.54 1.02 -0.82 -4.96 119.74 119.76 1nx7 s LYS 5 Ca 0.01 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.46 1nx7 s LYS 5 Cb -0.05 -4.14 -0.06 0.00 -0.52 0.00 0.00 37.83 33.06 1nx7 s LYS 5 CO -0.02 -1.14 1.57 0.71 -0.92 0.00 0.00 175.35 175.56 1nx7 s TYR 6 N 1.99 2.37 -0.02 3.18 2.02 -1.26 -1.86 117.35 123.77 1nx7 s TYR 6 Ca 0.08 0.43 0.03 0.00 -0.37 0.00 0.00 57.07 57.23 1nx7 s TYR 6 Cb -0.23 -3.85 -0.00 0.00 -0.40 0.00 0.00 41.96 37.48 1nx7 s TYR 6 CO 0.08 -3.40 -0.11 0.71 -1.57 0.00 0.00 175.55 171.25 1nx7 s TYR 7 N 3.17 1.05 0.52 2.71 2.02 0.73 -4.80 117.35 122.76 1nx7 s TYR 7 Ca 0.70 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 1nx7 s TYR 7 Cb -0.34 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 1nx7 s TYR 7 CO 0.29 -0.06 0.80 -0.08 -1.57 0.00 0.00 175.55 174.93 1nx7 s THR 8 N -0.07 4.06 0.21 -0.71 -1.32 -1.26 -0.40 115.64 116.14 1nx7 s THR 8 Ca 0.01 -0.10 -0.05 0.00 -1.21 0.00 0.00 61.69 60.34 1nx7 s THR 8 Cb -0.06 -3.56 0.33 0.00 -1.51 0.00 0.00 72.50 67.70 1nx7 s THR 8 CO 0.00 -0.52 1.14 0.18 -2.21 0.00 0.00 174.62 173.21 1nx7 n LEU 9 N -2.35 -0.25 -0.32 9.08 4.77 -1.26 -0.05 117.00 126.62 1nx7 n LEU 9 Ca 0.03 1.25 -0.12 0.00 -0.03 0.00 0.00 56.01 57.14 1nx7 n LEU 9 Cb 0.57 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1nx7 n LEU 9 CO 0.51 -1.21 0.49 -0.08 -1.33 0.00 0.00 177.39 175.78 1nx7 h GLU 10 N 0.00 -0.14 -0.86 3.23 4.57 -1.95 0.12 114.58 119.55 1nx7 h GLU 10 Ca 0.36 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.77 1nx7 h GLU 10 Cb 0.56 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.05 1nx7 h GLU 10 CO -0.75 -0.09 0.24 0.93 -1.18 0.00 0.00 179.01 178.16 1nx7 h GLU 11 N -0.14 0.22 -0.29 1.92 3.07 -0.82 0.29 114.58 118.83 1nx7 h GLU 11 Ca 0.14 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.84 1nx7 h GLU 11 Cb 0.48 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1nx7 h GLU 11 CO -0.82 0.15 -0.39 0.82 -1.40 0.00 0.00 179.01 177.37 1nx7 h ILE 12 N 0.23 1.29 -0.97 3.13 5.03 -1.25 -3.24 117.51 121.74 1nx7 h ILE 12 Ca 0.53 -1.55 0.02 0.00 -0.12 0.00 0.00 64.86 63.74 1nx7 h ILE 12 Cb 1.04 1.48 -0.05 0.00 -3.03 0.00 0.00 36.82 36.26 1nx7 h ILE 12 CO -0.63 0.50 0.64 -0.61 -0.68 0.00 0.00 178.15 177.37 1nx7 h GLN 13 N 0.56 1.23 0.00 2.37 4.15 0.21 0.27 115.11 123.90 1nx7 h GLN 13 Ca 0.05 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1nx7 h GLN 13 Cb 0.91 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1nx7 h GLN 13 CO 0.08 0.81 0.00 0.87 -1.93 0.00 0.00 178.83 178.66 1nx7 h LYS 14 N 1.26 0.00 -2.92 1.69 1.57 -1.17 -3.38 116.57 113.63 1nx7 h LYS 14 Ca 0.37 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.54 1nx7 h LYS 14 Cb -0.07 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.83 1nx7 h LYS 14 CO -0.10 0.00 -0.67 -1.01 -0.57 0.00 0.00 179.45 177.09 1nx7 s HIS 15 N -3.81 2.93 0.00 -1.35 3.76 0.96 -4.85 115.29 112.93 1nx7 s HIS 15 Ca -0.01 -3.07 0.00 0.00 -0.15 0.00 0.00 55.06 51.83 1nx7 s HIS 15 Cb 0.10 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1nx7 s HIS 15 CO 0.43 -0.62 0.73 0.27 -0.85 0.00 0.00 174.74 174.69 1nx7 n ASN 16 N 2.26 0.00 -3.81 1.40 6.94 0.34 -0.48 115.26 121.91 1nx7 n ASN 16 Ca 0.21 -1.53 -0.17 0.00 -0.02 0.00 0.00 54.58 53.08 1nx7 n ASN 16 Cb 0.38 -0.11 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 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 -0.53 1.08 0.43 0.53 0.02 -0.59 -4.76 114.94 111.12 1nx7 s ASN 17 Ca 0.00 -1.58 0.24 0.00 -1.02 0.00 0.00 52.86 50.50 1nx7 s ASN 17 Cb 0.00 0.45 1.26 0.00 0.02 0.00 0.00 41.25 42.99 1nx7 s ASN 17 CO 0.00 -0.94 1.72 0.28 0.02 0.00 0.00 177.10 178.18 1nx7 h SER 18 N 2.33 0.33 -0.94 -1.22 0.02 -1.98 0.24 113.55 112.33 1nx7 h SER 18 Ca -0.31 0.09 0.23 0.00 -0.84 0.00 0.00 61.79 60.97 1nx7 h SER 18 Cb 1.24 0.05 -0.12 0.00 0.14 0.00 0.00 62.40 63.71 1nx7 h SER 18 CO 0.46 -0.02 0.47 0.07 -1.14 0.00 0.00 176.83 176.67 1nx7 h LYS 19 N 0.25 0.45 -0.06 3.45 2.10 -1.98 -3.42 116.57 117.36 1nx7 h LYS 19 Ca 0.68 -0.03 0.30 0.00 -2.00 0.00 0.00 60.65 59.59 1nx7 h LYS 19 Cb 1.97 -0.10 -0.21 0.00 -0.90 0.00 0.00 32.23 32.99 1nx7 h LYS 19 CO -0.31 0.30 0.28 0.45 -2.00 0.00 0.00 179.45 178.16 1nx7 s SER 20 N -5.18 -0.08 -0.32 7.07 0.15 0.80 -5.10 113.70 111.04 1nx7 s SER 20 Ca -0.11 0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 1nx7 s SER 20 Cb 0.26 1.06 0.01 0.00 -1.71 0.00 0.00 66.02 65.64 1nx7 s SER 20 CO 0.79 -0.01 0.14 -0.89 1.20 0.00 0.00 173.24 174.46 1nx7 s THR 21 N 2.99 4.38 0.18 6.45 2.01 -0.93 -0.50 115.64 130.22 1nx7 s THR 21 Ca -0.07 -0.60 0.09 0.00 0.31 0.00 0.00 61.69 61.42 1nx7 s THR 21 Cb -0.08 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1nx7 s THR 21 CO -0.08 0.01 -0.09 0.26 -0.69 0.00 0.00 174.62 174.03 1nx7 s TRP 22 N 1.56 2.64 0.27 4.92 0.52 0.37 -1.86 118.94 127.36 1nx7 s TRP 22 Ca 0.03 -0.22 -0.10 0.00 0.02 0.00 0.00 56.10 55.83 1nx7 s TRP 22 Cb -0.18 -1.29 -0.00 0.00 -1.15 0.00 0.00 33.47 30.85 1nx7 s TRP 22 CO 0.05 0.52 0.47 -0.48 0.02 0.00 0.00 176.95 177.53 1nx7 s LEU 23 N -2.85 0.47 -0.18 2.99 0.05 -0.59 -0.39 118.68 118.17 1nx7 s LEU 23 Ca 0.25 -1.06 -0.01 0.00 0.05 0.00 0.00 54.13 53.36 1nx7 s LEU 23 Cb -0.09 1.68 0.00 0.00 -2.05 0.00 0.00 46.19 45.74 1nx7 s LEU 23 CO 0.15 -1.18 -0.14 -0.63 -0.55 0.00 0.00 176.35 174.01 1nx7 s ILE 24 N -3.78 2.67 -0.28 1.48 1.01 -0.00 -0.46 121.20 121.83 1nx7 s ILE 24 Ca 0.25 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1nx7 s ILE 24 Cb -0.00 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.37 1nx7 s ILE 24 CO 0.11 0.50 -0.06 -0.76 0.00 0.00 0.00 174.94 174.73 1nx7 s LEU 25 N 1.19 3.76 -0.99 2.97 1.02 0.17 -0.44 118.68 126.36 1nx7 s LEU 25 Ca 0.02 -1.47 -0.14 0.00 0.02 0.00 0.00 54.13 52.56 1nx7 s LEU 25 Cb -0.14 -1.61 0.01 0.00 0.02 0.00 0.00 46.19 44.47 1nx7 s LEU 25 CO -0.06 -0.24 0.67 1.41 0.02 0.00 0.00 176.35 178.16 1nx7 n HIS 26 N 4.47 -1.93 0.00 0.29 8.25 -1.26 -1.60 115.22 123.43 1nx7 n HIS 26 Ca -0.12 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1nx7 n HIS 26 Cb 0.42 -3.03 0.00 0.00 1.12 0.00 0.00 29.99 28.50 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 -3.53 0.00 -2.65 4.41 4.01 -1.26 -4.95 117.16 113.19 1nx7 n TYR 27 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 1nx7 n TYR 27 Cb 0.62 -0.18 -0.05 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 4.72 -0.30 -0.72 -0.14 -0.63 -0.08 119.74 122.59 1nx7 s LYS 28 Ca 0.00 1.57 -0.17 0.00 -1.36 0.00 0.00 55.97 56.01 1nx7 s LYS 28 Cb 0.00 -3.30 -0.02 0.00 -1.68 0.00 0.00 37.83 32.83 1nx7 s LYS 28 CO 0.00 0.27 0.46 0.08 -0.76 0.00 0.00 175.35 175.40 1nx7 s VAL 29 N -0.54 5.09 -0.26 3.17 1.01 0.43 -0.65 120.40 128.64 1nx7 s VAL 29 Ca 0.45 0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 1nx7 s VAL 29 Cb -0.27 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1nx7 s VAL 29 CO 0.33 -0.01 0.11 -0.31 0.00 0.00 0.00 175.10 175.21 1nx7 s TYR 30 N 2.25 3.13 -0.85 5.22 1.51 0.39 -1.34 117.35 127.66 1nx7 s TYR 30 Ca 0.18 -0.26 -0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1nx7 s TYR 30 Cb -0.16 -2.28 0.01 0.00 -0.11 0.00 0.00 41.96 39.42 1nx7 s TYR 30 CO 0.11 -0.29 2.80 -0.40 -1.11 0.00 0.00 175.55 176.65 1nx7 n ASP 31 N 4.95 7.16 -0.20 2.29 5.75 0.11 -1.55 116.55 135.06 1nx7 n ASP 31 Ca -0.16 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 51.64 1nx7 n ASP 31 Cb 0.52 -1.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 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 1.80 0.20 -0.28 -2.12 4.77 -0.78 -4.27 117.00 116.32 1nx7 n LEU 32 Ca 0.57 -0.10 0.06 0.00 -0.03 0.00 0.00 56.01 56.51 1nx7 n LEU 32 Cb 0.46 -0.10 0.20 0.00 -2.33 0.00 0.00 43.42 41.65 1nx7 n LEU 32 CO 0.50 0.05 1.09 0.74 -1.33 0.00 0.00 177.39 178.43 1nx7 h THR 33 N 0.00 0.75 0.00 -5.08 2.02 -1.73 0.21 112.91 109.08 1nx7 h THR 33 Ca 0.00 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1nx7 h THR 33 Cb 0.10 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1nx7 h THR 33 CO 0.00 0.11 -1.39 0.29 0.37 0.00 0.00 175.52 174.90 1nx7 n LYS 34 N -4.87 0.62 0.26 6.66 5.02 -1.26 -4.20 118.16 120.39 1nx7 n LYS 34 Ca 0.15 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.71 1nx7 n LYS 34 Cb 0.39 -1.78 0.71 0.00 -0.02 0.00 0.00 35.03 34.34 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1nx7 h PHE 35 N 0.00 0.00 -0.84 2.13 3.57 -0.96 -0.09 116.94 120.75 1nx7 h PHE 35 Ca -0.13 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.61 1nx7 h PHE 35 Cb 1.41 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 40.00 1nx7 h PHE 35 CO 0.00 0.09 0.01 1.28 -2.23 0.00 0.00 178.31 177.46 1nx7 n LEU 36 N -3.99 -0.10 -0.04 0.59 4.77 -0.00 -0.37 117.00 117.85 1nx7 n LEU 36 Ca -0.02 1.44 -0.14 0.00 -0.03 0.00 0.00 56.01 57.25 1nx7 n LEU 36 Cb 0.18 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1nx7 n LEU 36 CO 0.31 -1.45 0.51 -0.33 -1.33 0.00 0.00 177.39 175.10 1nx7 h GLU 37 N 0.00 0.37 -0.03 3.23 5.08 -1.28 -3.24 114.58 118.70 1nx7 h GLU 37 Ca 0.51 -0.24 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 1nx7 h GLU 37 Cb 1.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1nx7 h GLU 37 CO -0.80 0.85 -0.89 0.93 -1.00 0.00 0.00 179.01 178.10 1nx7 h GLU 38 N -0.07 0.49 -6.36 2.33 4.39 -1.33 -3.47 114.58 110.57 1nx7 h GLU 38 Ca 0.00 -0.49 -0.57 0.00 0.34 0.00 0.00 59.36 58.65 1nx7 h GLU 38 Cb 0.85 0.13 0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1nx7 h GLU 38 CO 0.05 1.13 1.15 1.58 -1.16 0.00 0.00 179.01 181.76 1nx7 n HIS 39 N -3.80 2.45 0.14 4.33 -0.00 0.51 -4.89 115.22 113.96 1nx7 n HIS 39 Ca -0.07 -0.18 0.16 0.00 0.46 0.00 0.00 57.72 58.10 1nx7 n HIS 39 Cb 0.80 -2.73 0.73 0.00 -0.12 0.00 0.00 29.99 28.68 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 9.55 0.00 -0.49 1.57 0.13 -1.91 0.12 132.00 140.98 1nx7 h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1nx7 h PRO 40 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 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 -1.53 0.66 5.56 1.56 0.00 -1.26 -5.04 105.19 105.14 1nx7 n GLY 41 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 0.48 -1.89 0.14 -0.02 0.00 0.42 -4.67 105.19 99.65 1nx7 n GLY 42 Ca 0.06 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.79 0.59 -0.15 1.61 0.00 -1.22 -4.55 120.64 116.13 1nx7 n GLU 43 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 57.16 57.36 1nx7 n GLU 43 Cb 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.00 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 -0.17 -0.10 3.44 4.81 -1.91 0.93 114.58 120.58 1nx7 h GLU 44 Ca -0.66 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.56 1nx7 h GLU 44 Cb 1.58 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1nx7 h GLU 44 CO -0.40 -0.12 -0.02 -0.24 -0.73 0.00 0.00 179.01 177.51 1nx7 h VAL 45 N -0.18 1.08 0.10 0.32 3.04 -1.84 0.11 116.25 118.88 1nx7 h VAL 45 Ca 0.21 -0.31 -0.16 0.00 -1.01 0.00 0.00 66.70 65.43 1nx7 h VAL 45 Cb 0.52 1.03 0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1nx7 h VAL 45 CO -0.58 0.10 -0.68 -0.07 -1.01 0.00 0.00 177.57 175.33 1nx7 h LEU 46 N 0.14 0.42 -0.45 3.16 3.38 -1.17 -3.01 115.31 117.78 1nx7 h LEU 46 Ca 0.03 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 57.17 1nx7 h LEU 46 Cb 0.13 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 1nx7 h LEU 46 CO 0.00 1.31 -0.10 -0.09 0.09 0.00 0.00 178.44 179.65 1nx7 h ARG 47 N -0.40 0.01 -0.58 1.13 1.12 -0.43 0.96 114.38 116.20 1nx7 h ARG 47 Ca -0.11 -0.00 0.12 0.00 -1.11 0.00 0.00 59.98 58.87 1nx7 h ARG 47 Cb 1.50 -0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.36 1nx7 h ARG 47 CO 0.13 0.01 0.03 0.93 -3.11 0.00 0.00 179.97 177.95 1nx7 h GLU 48 N 0.01 0.14 0.00 0.20 5.08 -0.84 0.56 114.58 119.73 1nx7 h GLU 48 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nx7 h GLU 48 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1nx7 h GLU 48 CO -0.46 0.09 0.00 1.04 -1.00 0.00 0.00 179.01 178.69 1nx7 n GLN 49 N -5.23 0.07 -1.74 2.33 1.13 -0.69 -4.88 117.38 108.37 1nx7 n GLN 49 Ca 0.08 0.27 -0.42 0.00 -1.94 0.00 0.00 57.00 54.99 1nx7 n GLN 49 Cb 0.33 -1.62 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 1nx7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nx7 s ALA 50 N -3.09 3.91 0.00 -1.58 0.00 0.25 -2.10 121.76 119.15 1nx7 s ALA 50 Ca 0.07 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1nx7 s ALA 50 Cb 0.11 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1nx7 s ALA 50 CO 0.35 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1nx7 n GLY 51 N 4.00 0.64 3.70 0.00 0.00 0.47 -4.66 105.19 109.34 1nx7 n GLY 51 Ca 0.16 -0.76 -0.02 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 -2.92 -0.30 -0.25 -0.02 0.00 -0.89 -4.28 107.32 98.66 1nx7 s GLY 52 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.82 1nx7 s GLY 52 CO 0.00 0.07 1.97 0.51 0.00 0.00 0.00 173.10 175.65 1nx7 s ASP 53 N -2.91 5.78 -0.19 1.64 -4.77 -1.26 -0.82 116.67 114.14 1nx7 s ASP 53 Ca 0.12 1.65 0.16 0.00 -3.30 0.00 0.00 52.55 51.19 1nx7 s ASP 53 Cb 0.00 -2.52 0.61 0.00 -1.09 0.00 0.00 42.92 39.92 1nx7 s ASP 53 CO -0.00 -1.74 1.51 0.00 0.70 0.00 0.00 175.17 175.63 1nx7 n ALA 54 N 10.58 3.21 -0.20 2.11 0.00 0.41 -4.57 120.51 132.05 1nx7 n ALA 54 Ca 0.25 -2.18 -0.04 0.00 0.00 0.00 0.00 53.44 51.47 1nx7 n ALA 54 Cb 0.46 -0.82 0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 2.41 0.20 0.00 0.00 2.02 -1.30 -0.99 112.91 115.25 1nx7 h THR 55 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nx7 h THR 55 Cb 1.57 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1nx7 h THR 55 CO 0.29 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.39 1nx7 n GLU 56 N -5.44 0.00 -0.13 6.66 2.13 -1.26 -0.91 120.64 121.69 1nx7 n GLU 56 Ca 0.05 0.68 -0.05 0.00 0.66 0.00 0.00 57.16 58.50 1nx7 n GLU 56 Cb 0.35 -1.07 0.04 0.00 0.27 0.00 0.00 31.44 31.03 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 0.12 0.07 4.31 2.35 -1.56 0.32 115.58 121.18 1nx7 h ASN 57 Ca 0.00 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1nx7 h ASN 57 Cb 0.00 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1nx7 h ASN 57 CO 0.00 0.10 -0.24 0.15 -1.65 0.00 0.00 177.43 175.79 1nx7 h PHE 58 N 0.28 0.31 0.12 1.19 3.04 -0.82 -0.42 116.94 120.64 1nx7 h PHE 58 Ca 0.20 -0.05 -0.34 0.00 3.98 0.00 0.00 57.97 61.75 1nx7 h PHE 58 Cb 0.20 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1nx7 h PHE 58 CO -0.17 0.50 -1.82 0.93 -2.02 0.00 0.00 178.31 175.74 1nx7 h GLU 59 N 0.26 0.26 0.39 1.11 4.39 -0.07 -1.66 114.58 119.25 1nx7 h GLU 59 Ca 0.04 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1nx7 h GLU 59 Cb 0.56 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1nx7 h GLU 59 CO 0.04 1.21 -0.23 0.22 -1.16 0.00 0.00 179.01 179.09 1nx7 h ASP 60 N -0.08 -0.57 -0.47 1.42 1.82 -0.49 -0.82 116.42 117.23 1nx7 h ASP 60 Ca -0.39 0.03 -0.29 0.00 -0.39 0.00 0.00 57.03 55.99 1nx7 h ASP 60 Cb 1.94 0.17 -0.11 0.00 0.68 0.00 0.00 39.33 42.00 1nx7 h ASP 60 CO 0.07 -0.37 0.20 0.52 -1.61 0.00 0.00 179.24 178.05 1nx7 n VAL 61 N -5.36 2.83 -0.10 2.25 0.31 -0.17 -4.93 118.33 113.15 1nx7 n VAL 61 Ca -0.10 -1.79 -0.01 0.00 -0.01 0.00 0.00 64.34 62.43 1nx7 n VAL 61 Cb 0.27 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.64 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 1.05 -0.02 3.61 2.92 0.00 -0.31 -4.79 105.19 107.64 1nx7 n GLY 62 Ca 0.32 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 0.41 0.77 -1.57 1.61 8.25 -0.67 -4.93 115.22 119.09 1nx7 n HIS 63 Ca 0.03 0.43 -0.39 0.00 -0.26 0.00 0.00 57.72 57.54 1nx7 n HIS 63 Cb 0.02 -2.13 0.04 0.00 1.12 0.00 0.00 29.99 29.04 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 -0.80 0.32 -0.23 0.41 7.64 -1.26 -4.55 113.62 115.15 1nx7 n SER 64 Ca 0.14 0.83 -0.09 0.00 1.01 0.00 0.00 58.87 60.76 1nx7 n SER 64 Cb 0.48 -1.32 -0.07 0.00 -1.01 0.00 0.00 64.21 62.29 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 0.61 0.00 -1.00 0.44 2.02 -1.99 0.23 112.91 113.23 1nx7 h THR 65 Ca -0.47 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.10 1nx7 h THR 65 Cb 1.37 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.61 1nx7 h THR 65 CO 0.51 0.00 0.51 0.44 0.37 0.00 0.00 175.52 177.35 1nx7 h ASP 66 N -0.11 0.31 0.20 4.18 5.19 -1.97 0.13 116.42 124.36 1nx7 h ASP 66 Ca 0.09 0.24 -0.30 0.00 -0.62 0.00 0.00 57.03 56.45 1nx7 h ASP 66 Cb 0.35 0.25 0.02 0.00 0.18 0.00 0.00 39.33 40.13 1nx7 h ASP 66 CO -0.59 -0.36 -1.37 0.00 -3.12 0.00 0.00 179.24 173.79 1nx7 h ALA 67 N 1.96 -0.03 -0.60 3.45 0.00 -0.98 0.37 119.26 123.42 1nx7 h ALA 67 Ca 0.80 -0.91 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1nx7 h ALA 67 Cb 2.03 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 20.02 1nx7 h ALA 67 CO -0.74 0.71 0.26 0.00 0.00 0.00 0.00 179.25 179.47 1nx7 h ARG 68 N -0.05 0.45 0.00 0.00 3.08 -0.23 -1.09 114.38 116.54 1nx7 h ARG 68 Ca -0.26 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 1nx7 h ARG 68 Cb 1.97 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 1nx7 h ARG 68 CO 0.20 0.30 -0.45 0.93 -1.07 0.00 0.00 179.97 179.88 1nx7 h GLU 69 N 0.47 0.00 -0.17 0.04 4.39 -0.62 -3.03 114.58 115.66 1nx7 h GLU 69 Ca 0.29 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 1nx7 h GLU 69 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1nx7 h GLU 69 CO -0.26 0.25 0.03 1.25 -1.16 0.00 0.00 179.01 179.12 1nx7 h LEU 70 N 0.00 0.26 -0.89 1.33 5.85 -0.02 -3.32 115.31 118.52 1nx7 h LEU 70 Ca -0.02 -0.26 0.36 0.00 0.84 0.00 0.00 57.88 58.81 1nx7 h LEU 70 Cb 1.23 -0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.04 1nx7 h LEU 70 CO 0.03 0.46 0.49 -1.54 -0.34 0.00 0.00 178.44 177.55 1nx7 n SER 71 N -4.78 0.29 -0.34 1.25 3.41 -0.43 -1.44 113.62 111.57 1nx7 n SER 71 Ca -0.05 1.39 0.27 0.00 -0.26 0.00 0.00 58.87 60.22 1nx7 n SER 71 Cb 0.18 -0.68 0.56 0.00 -0.26 0.00 0.00 64.21 64.01 1nx7 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nx7 h LYS 72 N 0.00 0.29 -0.36 4.33 1.79 -1.73 0.67 116.57 121.56 1nx7 h LYS 72 Ca 0.73 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 59.28 1nx7 h LYS 72 Cb 1.98 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.55 1nx7 h LYS 72 CO -0.63 0.19 0.42 1.79 -1.08 0.00 0.00 179.45 180.14 1nx7 h THR 73 N 0.29 0.34 -0.40 -0.16 1.35 -1.53 -1.33 112.91 111.48 1nx7 h THR 73 Ca 0.63 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.49 1nx7 h THR 73 Cb 1.78 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1nx7 h THR 73 CO -0.29 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.47 1nx7 n PHE 74 N -3.63 0.52 -2.47 4.73 3.72 0.23 -4.93 117.46 115.63 1nx7 n PHE 74 Ca 0.06 -0.33 -0.42 0.00 -0.05 0.00 0.00 57.45 56.70 1nx7 n PHE 74 Cb 0.58 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.18 3.94 -0.08 4.37 1.01 -0.50 -0.71 121.20 128.05 1nx7 s ILE 75 Ca 0.33 0.88 0.13 0.00 0.00 0.00 0.00 60.65 61.99 1nx7 s ILE 75 Cb 0.19 -4.50 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 1nx7 s ILE 75 CO 0.25 -1.11 0.54 2.30 0.00 0.00 0.00 174.94 176.93 1nx7 n ILE 76 N 6.86 1.58 -3.21 2.92 -5.35 -0.45 -4.98 119.36 116.73 1nx7 n ILE 76 Ca 0.12 -0.80 -0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1nx7 n ILE 76 Cb 0.49 -0.97 0.00 0.00 -1.74 0.00 0.00 39.64 37.42 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 1.61 2.36 3.52 3.28 0.00 -1.14 -1.95 105.19 112.86 1nx7 n GLY 77 Ca -0.20 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.01 0.94 -0.13 1.61 2.12 -0.78 -0.43 118.70 120.02 1nx7 s GLU 78 Ca 0.00 0.02 -0.32 0.00 0.36 0.00 0.00 54.97 55.04 1nx7 s GLU 78 Cb -0.00 0.44 -0.10 0.00 0.26 0.00 0.00 34.13 34.73 1nx7 s GLU 78 CO 0.00 -0.33 2.02 -0.11 -0.54 0.00 0.00 175.26 176.30 1nx7 n LEU 79 N 0.47 3.36 -3.27 2.70 7.94 0.89 -0.19 117.00 128.90 1nx7 n LEU 79 Ca -0.15 0.71 -0.39 0.00 -1.11 0.00 0.00 56.01 55.07 1nx7 n LEU 79 Cb 0.59 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 43.08 1nx7 n LEU 79 CO 0.18 -0.24 0.18 1.57 -1.11 0.00 0.00 177.39 177.97 1nx7 n HIS 80 N 8.38 0.01 0.03 1.96 -0.00 0.47 -4.40 115.22 121.68 1nx7 n HIS 80 Ca 0.26 0.74 0.02 0.00 -0.00 0.00 0.00 57.72 58.75 1nx7 n HIS 80 Cb 0.34 -1.48 0.11 0.00 -0.00 0.00 0.00 29.99 28.96 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 0.90 0.03 -0.01 1.57 -0.04 -1.26 -0.21 135.00 135.98 1nx7 n PRO 81 Ca 0.14 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 64.11 1nx7 n PRO 81 Cb 0.13 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.60 0.31 0.00 3.54 2.03 -1.26 -4.44 116.55 115.14 1nx7 n ASP 82 Ca -0.00 0.13 -0.19 0.00 0.52 0.00 0.00 54.79 55.25 1nx7 n ASP 82 Cb 0.07 1.12 -0.14 0.00 -0.72 0.00 0.00 41.12 41.45 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 -2.59 1.92 0.00 1.67 -0.08 0.71 -5.20 116.55 112.98 1nx7 n ASP 83 Ca -0.12 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1nx7 n ASP 83 Cb 0.78 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1nx7 n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21