#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 -0.57 0.00 0.11 -1.26 -4.95 120.40 113.71 1nx7 s VAL 4 Ca 0.00 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 1nx7 s VAL 4 Cb 0.00 -0.45 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 1nx7 s VAL 4 CO 0.00 0.02 0.84 -0.54 -3.33 0.00 0.00 175.10 172.09 1nx7 s LYS 5 N 0.57 3.19 -0.20 1.54 1.02 -1.05 -4.90 119.74 119.91 1nx7 s LYS 5 Ca -0.03 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 1nx7 s LYS 5 Cb -0.05 -4.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.10 1nx7 s LYS 5 CO -0.03 -1.52 1.61 0.71 -0.92 0.00 0.00 175.35 175.20 1nx7 s TYR 6 N 3.52 2.11 -0.04 3.18 2.02 -1.26 -1.22 117.35 125.67 1nx7 s TYR 6 Ca 0.22 0.52 0.05 0.00 -0.37 0.00 0.00 57.07 57.50 1nx7 s TYR 6 Cb -0.17 -3.96 -0.01 0.00 -0.40 0.00 0.00 41.96 37.43 1nx7 s TYR 6 CO 0.14 -3.00 -0.20 0.71 -1.57 0.00 0.00 175.55 171.63 1nx7 s TYR 7 N 5.03 1.90 0.53 2.71 2.02 0.11 -4.76 117.35 124.88 1nx7 s TYR 7 Ca 0.71 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.89 1nx7 s TYR 7 Cb -0.26 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1nx7 s TYR 7 CO 0.29 -0.13 0.81 -0.08 -1.57 0.00 0.00 175.55 174.87 1nx7 s THR 8 N -0.20 3.85 0.27 -0.71 -1.32 -1.26 -0.48 115.64 115.79 1nx7 s THR 8 Ca 0.01 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 1nx7 s THR 8 Cb -0.11 -3.48 0.36 0.00 -1.51 0.00 0.00 72.50 67.76 1nx7 s THR 8 CO 0.01 -0.44 1.35 0.18 -2.21 0.00 0.00 174.62 173.51 1nx7 n LEU 9 N -2.38 -0.10 -0.18 9.08 4.77 -1.26 -0.27 117.00 126.66 1nx7 n LEU 9 Ca 0.03 1.46 -0.12 0.00 -0.03 0.00 0.00 56.01 57.35 1nx7 n LEU 9 Cb 0.57 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1nx7 n LEU 9 CO 0.51 -1.48 0.52 -0.08 -1.33 0.00 0.00 177.39 175.53 1nx7 h GLU 10 N 0.00 -0.31 -1.01 3.23 4.57 -1.93 0.17 114.58 119.30 1nx7 h GLU 10 Ca 0.52 0.02 0.24 0.00 -1.18 0.00 0.00 59.36 58.96 1nx7 h GLU 10 Cb 1.08 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.62 1nx7 h GLU 10 CO -0.81 -0.21 0.62 0.93 -1.18 0.00 0.00 179.01 178.36 1nx7 h GLU 11 N -0.32 0.56 -0.30 1.92 3.07 -0.99 0.33 114.58 118.84 1nx7 h GLU 11 Ca 0.11 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 1nx7 h GLU 11 Cb 0.57 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1nx7 h GLU 11 CO -0.64 0.37 -0.41 0.82 -1.40 0.00 0.00 179.01 177.75 1nx7 h ILE 12 N 0.57 1.29 -0.70 3.13 5.03 -1.14 -3.22 117.51 122.47 1nx7 h ILE 12 Ca 0.62 -1.59 0.00 0.00 -0.12 0.00 0.00 64.86 63.77 1nx7 h ILE 12 Cb 1.22 1.49 -0.03 0.00 -3.03 0.00 0.00 36.82 36.47 1nx7 h ILE 12 CO -0.41 0.51 0.44 -0.61 -0.68 0.00 0.00 178.15 177.40 1nx7 h GLN 13 N 0.60 0.94 -0.57 2.37 4.15 0.25 0.25 115.11 123.10 1nx7 h GLN 13 Ca 0.05 -0.07 0.17 0.00 0.77 0.00 0.00 58.65 59.56 1nx7 h GLN 13 Cb 0.95 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1nx7 h GLN 13 CO 0.09 0.65 0.43 0.87 -1.93 0.00 0.00 178.83 178.93 1nx7 h LYS 14 N 0.95 0.00 -2.27 1.69 1.57 -1.07 -2.83 116.57 114.61 1nx7 h LYS 14 Ca 0.25 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.33 1nx7 h LYS 14 Cb -0.06 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.90 1nx7 h LYS 14 CO -0.05 0.00 0.24 0.72 -0.57 0.00 0.00 179.45 179.79 1nx7 n HIS 15 N -4.28 3.38 -3.26 -1.35 8.25 0.88 -4.75 115.22 114.09 1nx7 n HIS 15 Ca 0.11 -3.24 -0.05 0.00 -0.26 0.00 0.00 57.72 54.28 1nx7 n HIS 15 Cb 0.66 -0.86 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.35 -0.70 0.00 0.41 3.04 -1.07 -0.36 114.94 113.90 1nx7 s ASN 16 Ca 0.44 -1.04 0.00 0.00 0.04 0.00 0.00 52.86 52.29 1nx7 s ASN 16 Cb 0.23 1.53 0.00 0.00 -1.54 0.00 0.00 41.25 41.47 1nx7 s ASN 16 CO -0.13 -0.20 0.00 -3.20 -3.04 0.00 0.00 177.10 170.53 1nx7 n ASN 17 N 4.35 0.00 0.00 -4.21 2.85 -0.11 -4.95 115.26 113.19 1nx7 n ASN 17 Ca 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1nx7 n ASN 17 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1nx7 n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nx7 n SER 18 N 0.00 0.00 -0.08 1.20 3.41 -1.26 -4.68 113.62 112.21 1nx7 n SER 18 Ca 0.00 0.15 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 1nx7 n SER 18 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1nx7 n SER 18 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1nx7 n LYS 19 N -0.47 0.68 -1.38 4.33 2.85 -1.26 -4.96 118.16 117.95 1nx7 n LYS 19 Ca 0.00 0.13 -0.56 0.00 -1.05 0.00 0.00 58.31 56.83 1nx7 n LYS 19 Cb 0.00 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 32.70 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 -3.07 1.51 -3.28 -5.58 7.64 -1.26 -4.71 113.62 104.87 1nx7 n SER 20 Ca -0.35 0.59 -0.05 0.00 1.01 0.00 0.00 58.87 60.07 1nx7 n SER 20 Cb 1.07 -1.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 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 6.39 -0.73 0.15 0.44 2.01 -1.19 -0.94 115.64 121.77 1nx7 s THR 21 Ca 1.13 -0.10 0.10 0.00 0.31 0.00 0.00 61.69 63.13 1nx7 s THR 21 Cb -1.17 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1nx7 s THR 21 CO 0.58 -0.12 -0.18 0.26 -0.69 0.00 0.00 174.62 174.48 1nx7 s TRP 22 N 2.64 2.50 0.33 4.92 0.52 0.52 -1.13 118.94 129.23 1nx7 s TRP 22 Ca 0.14 -0.28 -0.03 0.00 0.02 0.00 0.00 56.10 55.95 1nx7 s TRP 22 Cb -0.14 -1.28 -0.00 0.00 -1.15 0.00 0.00 33.47 30.90 1nx7 s TRP 22 CO -0.21 0.44 0.46 -0.48 0.02 0.00 0.00 176.95 177.18 1nx7 s LEU 23 N -2.44 0.99 -0.09 2.99 0.05 -0.74 -0.42 118.68 119.02 1nx7 s LEU 23 Ca 0.20 -1.45 0.04 0.00 0.05 0.00 0.00 54.13 52.97 1nx7 s LEU 23 Cb -0.09 1.42 0.00 0.00 -2.05 0.00 0.00 46.19 45.47 1nx7 s LEU 23 CO 0.11 -1.26 -0.21 -0.63 -0.55 0.00 0.00 176.35 173.81 1nx7 s ILE 24 N -3.18 1.83 -0.54 1.48 1.01 -0.12 -0.33 121.20 121.35 1nx7 s ILE 24 Ca 0.30 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1nx7 s ILE 24 Cb -0.00 -1.59 0.16 0.00 0.01 0.00 0.00 42.46 41.04 1nx7 s ILE 24 CO 0.19 0.51 0.38 -0.76 0.00 0.00 0.00 174.94 175.26 1nx7 s LEU 25 N 0.34 3.17 -0.31 2.97 1.02 0.16 -0.02 118.68 126.01 1nx7 s LEU 25 Ca -0.16 -3.30 -0.01 0.00 0.02 0.00 0.00 54.13 50.68 1nx7 s LEU 25 Cb -0.17 -1.09 -0.01 0.00 0.02 0.00 0.00 46.19 44.94 1nx7 s LEU 25 CO 0.07 -0.16 0.28 1.41 0.02 0.00 0.00 176.35 177.98 1nx7 n HIS 26 N 2.63 -1.01 0.00 0.29 8.25 -1.26 -4.00 115.22 120.12 1nx7 n HIS 26 Ca 0.21 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 1nx7 n HIS 26 Cb 0.39 -2.69 0.00 0.00 1.12 0.00 0.00 29.99 28.81 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 -1.60 0.00 -2.49 4.41 4.01 -1.26 -4.92 117.16 115.31 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 0.52 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.49 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 4.60 -0.25 -0.72 -0.14 -1.26 0.12 119.74 122.09 1nx7 s LYS 28 Ca 0.00 1.76 -0.12 0.00 -1.36 0.00 0.00 55.97 56.25 1nx7 s LYS 28 Cb 0.00 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.86 1nx7 s LYS 28 CO 0.00 0.10 0.25 0.08 -0.76 0.00 0.00 175.35 175.02 1nx7 s VAL 29 N -0.53 5.29 -0.27 3.17 1.01 0.24 -0.67 120.40 128.64 1nx7 s VAL 29 Ca 0.48 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 1nx7 s VAL 29 Cb -0.31 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1nx7 s VAL 29 CO 0.37 0.27 0.08 -0.31 0.00 0.00 0.00 175.10 175.51 1nx7 s TYR 30 N 1.47 3.11 -0.40 5.22 1.51 0.55 -0.85 117.35 127.96 1nx7 s TYR 30 Ca 0.11 -0.61 -0.06 0.00 -1.01 0.00 0.00 57.07 55.50 1nx7 s TYR 30 Cb -0.15 -2.25 -0.11 0.00 -0.11 0.00 0.00 41.96 39.34 1nx7 s TYR 30 CO 0.08 -0.44 3.18 -0.40 -1.11 0.00 0.00 175.55 176.86 1nx7 n ASP 31 N 4.91 6.19 0.00 2.29 5.75 -0.07 -1.79 116.55 133.84 1nx7 n ASP 31 Ca -0.16 -2.79 0.01 0.00 -0.01 0.00 0.00 54.79 51.84 1nx7 n ASP 31 Cb 0.50 -1.36 0.05 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 1.98 0.00 -0.27 -2.12 4.77 -1.00 -4.06 117.00 116.31 1nx7 n LEU 32 Ca 0.50 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 1nx7 n LEU 32 Cb 0.68 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 42.16 1nx7 n LEU 32 CO 0.30 0.00 1.22 0.74 -1.33 0.00 0.00 177.39 178.32 1nx7 h THR 33 N 0.00 0.81 0.00 -5.08 2.02 -1.41 0.22 112.91 109.47 1nx7 h THR 33 Ca 0.00 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 1nx7 h THR 33 Cb 0.00 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1nx7 h THR 33 CO 0.00 0.12 -1.17 0.07 0.37 0.00 0.00 175.52 174.91 1nx7 h LYS 34 N 0.66 0.00 0.00 6.66 5.09 -1.88 -3.39 116.57 123.71 1nx7 h LYS 34 Ca 0.45 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 61.08 1nx7 h LYS 34 Cb 0.77 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.09 1nx7 h LYS 34 CO -0.21 0.20 -0.54 0.35 -2.09 0.00 0.00 179.45 177.16 1nx7 h PHE 35 N 0.00 0.00 -0.35 0.07 3.57 -0.87 -3.29 116.94 116.06 1nx7 h PHE 35 Ca -0.09 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1nx7 h PHE 35 Cb 1.36 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 1nx7 h PHE 35 CO 0.00 0.54 -0.19 1.28 -2.23 0.00 0.00 178.31 177.71 1nx7 n LEU 36 N -3.84 -0.33 0.08 0.59 4.77 -0.69 -0.43 117.00 117.15 1nx7 n LEU 36 Ca -0.01 0.62 -0.06 0.00 -0.03 0.00 0.00 56.01 56.53 1nx7 n LEU 36 Cb 0.56 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.64 1nx7 n LEU 36 CO 0.41 -0.52 0.43 -0.33 -1.33 0.00 0.00 177.39 176.04 1nx7 h GLU 37 N 0.00 0.26 0.04 3.23 5.08 -1.88 -3.09 114.58 118.22 1nx7 h GLU 37 Ca 0.08 -0.20 -0.25 0.00 -1.00 0.00 0.00 59.36 57.99 1nx7 h GLU 37 Cb 0.16 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.47 1nx7 h GLU 37 CO -0.34 0.83 -0.99 0.93 -1.00 0.00 0.00 179.01 178.44 1nx7 h GLU 38 N 0.19 0.61 -6.38 2.33 5.08 -0.92 -3.47 114.58 112.01 1nx7 h GLU 38 Ca -0.01 -0.71 -0.59 0.00 -1.00 0.00 0.00 59.36 57.05 1nx7 h GLU 38 Cb 1.19 0.21 0.03 0.00 0.50 0.00 0.00 28.75 30.69 1nx7 h GLU 38 CO 0.10 1.29 1.01 1.58 -1.00 0.00 0.00 179.01 182.00 1nx7 n HIS 39 N -3.93 2.36 0.01 4.33 -0.00 0.22 -4.89 115.22 113.32 1nx7 n HIS 39 Ca -0.12 0.04 0.20 0.00 0.46 0.00 0.00 57.72 58.31 1nx7 n HIS 39 Cb 0.86 -2.64 0.70 0.00 -0.12 0.00 0.00 29.99 28.79 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 8.17 0.00 -0.80 1.57 0.13 -1.91 0.11 132.00 139.27 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 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 -1.63 2.05 6.38 1.56 0.00 -1.26 -5.05 105.19 107.24 1nx7 n GLY 41 Ca 0.10 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 0.30 -1.67 0.12 -0.02 0.00 0.37 -4.57 105.19 99.72 1nx7 n GLY 42 Ca 0.12 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.96 0.57 -0.18 1.61 0.00 -1.17 -4.55 120.64 115.95 1nx7 n GLU 43 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 57.16 57.53 1nx7 n GLU 43 Cb 0.03 -1.59 0.06 0.00 0.00 0.00 0.00 31.44 29.94 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 0.05 -0.66 3.44 4.57 -1.90 0.19 114.58 119.27 1nx7 h GLU 44 Ca -0.48 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.83 1nx7 h GLU 44 Cb 1.39 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.87 1nx7 h GLU 44 CO -0.29 0.03 0.08 -0.39 -1.18 0.00 0.00 179.01 177.26 1nx7 h VAL 45 N 0.05 0.52 -0.15 0.32 -1.51 -1.82 0.31 116.25 113.96 1nx7 h VAL 45 Ca 0.28 -0.07 -0.11 0.00 -1.23 0.00 0.00 66.70 65.57 1nx7 h VAL 45 Cb 0.43 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 1nx7 h VAL 45 CO -0.52 0.03 -0.33 -0.07 -1.23 0.00 0.00 177.57 175.45 1nx7 h LEU 46 N 0.19 0.54 -1.28 4.19 3.38 -0.97 -2.14 115.31 119.22 1nx7 h LEU 46 Ca 0.36 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1nx7 h LEU 46 Cb 0.58 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1nx7 h LEU 46 CO -0.51 1.01 0.24 -0.09 0.09 0.00 0.00 178.44 179.18 1nx7 h ARG 47 N 0.09 0.74 -0.22 1.13 2.43 -0.16 0.46 114.38 118.85 1nx7 h ARG 47 Ca 0.00 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1nx7 h ARG 47 Cb 0.93 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1nx7 h ARG 47 CO 0.07 0.58 -0.16 0.93 -1.51 0.00 0.00 179.97 179.88 1nx7 h GLU 48 N 0.74 0.49 0.00 0.20 5.08 -0.40 -3.11 114.58 117.57 1nx7 h GLU 48 Ca 0.18 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1nx7 h GLU 48 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1nx7 h GLU 48 CO -0.02 0.80 -0.17 1.96 -1.00 0.00 0.00 179.01 180.58 1nx7 h GLN 49 N 0.18 0.00 -6.34 2.33 1.08 -0.86 -3.47 115.11 108.04 1nx7 h GLN 49 Ca 0.04 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.62 1nx7 h GLN 49 Cb 0.69 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.24 1nx7 h GLN 49 CO 0.04 0.17 -0.14 0.00 -0.95 0.00 0.00 178.83 177.95 1nx7 n ALA 50 N -2.24 -1.10 -0.39 3.87 0.00 0.16 -2.53 120.51 118.27 1nx7 n ALA 50 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nx7 n ALA 50 Cb 0.33 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.53 0.95 3.02 0.00 0.00 0.44 -4.84 105.19 106.29 1nx7 n GLY 51 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1nx7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nx7 n GLY 52 N -2.00 1.53 3.68 -0.02 0.00 -1.05 -3.82 105.19 103.50 1nx7 n GLY 52 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1nx7 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nx7 s ASP 53 N -2.75 6.87 -0.15 1.61 -1.08 -1.26 -0.94 116.67 118.97 1nx7 s ASP 53 Ca 0.17 2.00 0.18 0.00 -0.52 0.00 0.00 52.55 54.38 1nx7 s ASP 53 Cb -0.03 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 39.25 1nx7 s ASP 53 CO 0.12 -0.74 1.24 0.00 0.52 0.00 0.00 175.17 176.32 1nx7 n ALA 54 N 5.86 2.56 -0.24 3.66 0.00 0.97 -4.64 120.51 128.69 1nx7 n ALA 54 Ca 0.14 -2.56 0.03 0.00 0.00 0.00 0.00 53.44 51.05 1nx7 n ALA 54 Cb 0.44 -0.49 0.13 0.00 0.00 0.00 0.00 19.45 19.53 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 0.59 0.39 0.00 0.00 2.02 -1.73 -0.05 112.91 114.13 1nx7 h THR 55 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1nx7 h THR 55 Cb 1.15 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1nx7 h THR 55 CO 0.07 0.02 0.00 1.21 0.37 0.00 0.00 175.52 177.19 1nx7 n GLU 56 N -5.33 0.00 -0.16 6.66 2.13 -1.26 -0.40 120.64 122.27 1nx7 n GLU 56 Ca 0.12 0.57 -0.08 0.00 0.66 0.00 0.00 57.16 58.43 1nx7 n GLU 56 Cb 0.42 -0.92 0.01 0.00 0.27 0.00 0.00 31.44 31.23 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 0.58 -0.57 4.31 2.35 -1.65 0.25 115.58 120.86 1nx7 h ASN 57 Ca 0.00 -0.08 0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1nx7 h ASN 57 Cb 0.00 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1nx7 h ASN 57 CO 0.00 0.49 0.38 0.15 -1.65 0.00 0.00 177.43 176.80 1nx7 h PHE 58 N 0.63 0.36 0.15 1.19 3.57 -0.49 -1.95 116.94 120.40 1nx7 h PHE 58 Ca 0.17 0.01 -0.36 0.00 3.53 0.00 0.00 57.97 61.32 1nx7 h PHE 58 Cb 0.03 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1nx7 h PHE 58 CO -0.02 0.17 -1.89 0.93 -2.23 0.00 0.00 178.31 175.27 1nx7 h GLU 59 N 0.34 0.31 -0.31 1.11 4.39 0.15 -1.90 114.58 118.65 1nx7 h GLU 59 Ca 0.26 -0.53 0.07 0.00 0.34 0.00 0.00 59.36 59.51 1nx7 h GLU 59 Cb 0.58 0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 29.36 1nx7 h GLU 59 CO -0.06 1.23 -0.17 0.22 -1.16 0.00 0.00 179.01 179.07 1nx7 h ASP 60 N 0.08 -0.57 -1.87 1.42 3.58 -0.40 0.14 116.42 118.81 1nx7 h ASP 60 Ca -0.39 0.13 -0.74 0.00 0.42 0.00 0.00 57.03 56.45 1nx7 h ASP 60 Cb 2.06 0.30 -0.29 0.00 1.72 0.00 0.00 39.33 43.13 1nx7 h ASP 60 CO 0.12 -0.21 0.87 0.55 -2.88 0.00 0.00 179.24 177.70 1nx7 n VAL 61 N -5.34 3.48 0.00 2.25 3.14 -0.75 -5.01 118.33 116.10 1nx7 n VAL 61 Ca 0.01 -4.25 0.00 0.00 -2.96 0.00 0.00 64.34 57.13 1nx7 n VAL 61 Cb 0.26 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.80 1nx7 n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nx7 n GLY 62 N -0.57 0.00 3.76 7.55 0.00 0.50 -4.82 105.19 111.61 1nx7 n GLY 62 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 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 2.33 0.73 1.61 3.76 -0.78 -4.96 115.29 117.98 1nx7 s HIS 63 Ca 0.00 1.31 -0.16 0.00 -0.15 0.00 0.00 55.06 56.06 1nx7 s HIS 63 Cb 0.00 -3.88 0.02 0.00 1.11 0.00 0.00 32.58 29.83 1nx7 s HIS 63 CO 0.00 -3.01 1.11 0.43 -0.85 0.00 0.00 174.74 172.42 1nx7 n SER 64 N -0.67 1.02 -0.12 1.40 7.64 -1.26 -4.57 113.62 117.05 1nx7 n SER 64 Ca 0.08 0.68 -0.10 0.00 1.01 0.00 0.00 58.87 60.55 1nx7 n SER 64 Cb 0.43 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.09 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 -0.26 0.00 -1.00 0.44 2.02 -1.99 0.22 112.91 112.35 1nx7 h THR 65 Ca -0.48 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.04 1nx7 h THR 65 Cb 1.32 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.55 1nx7 h THR 65 CO 0.48 0.00 0.27 0.44 0.37 0.00 0.00 175.52 177.08 1nx7 h ASP 66 N -0.25 -0.10 0.09 4.18 5.19 -1.98 0.57 116.42 124.11 1nx7 h ASP 66 Ca 0.06 0.27 -0.25 0.00 -0.62 0.00 0.00 57.03 56.49 1nx7 h ASP 66 Cb 0.41 0.39 0.02 0.00 0.18 0.00 0.00 39.33 40.33 1nx7 h ASP 66 CO -0.45 -0.40 -1.02 0.00 -3.12 0.00 0.00 179.24 174.25 1nx7 h ALA 67 N 2.00 0.00 -0.35 3.45 0.00 -1.11 0.18 119.26 123.43 1nx7 h ALA 67 Ca 0.72 -0.71 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1nx7 h ALA 67 Cb 1.72 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1nx7 h ALA 67 CO -0.86 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 178.90 1nx7 h ARG 68 N 0.10 0.03 -0.10 0.00 3.08 0.29 0.59 114.38 118.36 1nx7 h ARG 68 Ca -0.15 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.70 1nx7 h ARG 68 Cb 1.73 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.77 1nx7 h ARG 68 CO 0.20 0.02 -0.74 0.93 -1.07 0.00 0.00 179.97 179.30 1nx7 h GLU 69 N 0.03 0.51 -0.53 0.04 4.39 -0.80 -2.60 114.58 115.62 1nx7 h GLU 69 Ca 0.17 -0.42 0.09 0.00 0.34 0.00 0.00 59.36 59.54 1nx7 h GLU 69 Cb 0.25 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 1nx7 h GLU 69 CO -0.33 1.05 0.14 1.25 -1.16 0.00 0.00 179.01 179.96 1nx7 h LEU 70 N 0.35 0.08 -1.33 1.33 5.85 -0.32 -2.42 115.31 118.85 1nx7 h LEU 70 Ca -0.04 0.08 0.29 0.00 0.84 0.00 0.00 57.88 59.06 1nx7 h LEU 70 Cb 1.33 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.36 1nx7 h LEU 70 CO 0.13 0.06 0.68 0.28 -0.34 0.00 0.00 178.44 179.26 1nx7 h SER 71 N 0.29 0.44 -0.77 1.25 0.02 -0.48 -0.62 113.55 113.69 1nx7 h SER 71 Ca 0.27 0.10 0.14 0.00 -0.84 0.00 0.00 61.79 61.46 1nx7 h SER 71 Cb 0.35 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1nx7 h SER 71 CO -0.32 0.05 0.51 0.11 -1.14 0.00 0.00 176.83 176.04 1nx7 h LYS 72 N 0.37 0.45 0.00 3.45 1.79 -1.42 0.08 116.57 121.29 1nx7 h LYS 72 Ca 0.63 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1nx7 h LYS 72 Cb 1.62 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1nx7 h LYS 72 CO -0.34 0.30 0.00 1.79 -1.08 0.00 0.00 179.45 180.12 1nx7 h THR 73 N 0.47 0.00 -0.03 -0.16 1.35 -1.26 -2.16 112.91 111.12 1nx7 h THR 73 Ca 0.38 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1nx7 h THR 73 Cb 0.80 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1nx7 h THR 73 CO -0.13 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.63 1nx7 n PHE 74 N -2.87 0.00 -2.39 4.73 3.72 0.02 -4.91 117.46 115.75 1nx7 n PHE 74 Ca -0.02 -0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 1nx7 n PHE 74 Cb 0.12 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 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 -2.00 3.99 -0.15 4.37 1.01 -0.81 -0.89 121.20 126.72 1nx7 s ILE 75 Ca 0.32 1.04 0.18 0.00 0.00 0.00 0.00 60.65 62.19 1nx7 s ILE 75 Cb 0.20 -4.24 -0.26 0.00 0.01 0.00 0.00 42.46 38.18 1nx7 s ILE 75 CO 0.31 -0.72 0.27 2.30 0.00 0.00 0.00 174.94 177.10 1nx7 n ILE 76 N 6.85 1.10 -2.82 2.92 -5.35 -0.03 -4.98 119.36 117.04 1nx7 n ILE 76 Ca 0.16 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1nx7 n ILE 76 Cb 0.48 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 1.60 2.59 3.45 3.28 0.00 -1.17 -2.54 105.19 112.40 1nx7 n GLY 77 Ca -0.24 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.06 1.04 -0.32 1.61 2.12 -0.36 -0.59 118.70 121.14 1nx7 s GLU 78 Ca 0.00 0.02 -0.38 0.00 0.36 0.00 0.00 54.97 54.97 1nx7 s GLU 78 Cb 0.00 0.48 -0.14 0.00 0.26 0.00 0.00 34.13 34.74 1nx7 s GLU 78 CO 0.00 -0.35 2.01 -0.11 -0.54 0.00 0.00 175.26 176.27 1nx7 n LEU 79 N 0.68 2.20 -3.56 2.70 7.94 0.12 0.07 117.00 127.14 1nx7 n LEU 79 Ca -0.19 0.71 -0.41 0.00 -1.11 0.00 0.00 56.01 55.01 1nx7 n LEU 79 Cb 0.59 -1.19 -0.03 0.00 0.53 0.00 0.00 43.42 43.31 1nx7 n LEU 79 CO 0.21 -0.57 0.10 1.57 -1.11 0.00 0.00 177.39 177.59 1nx7 n HIS 80 N 7.85 -0.18 0.00 1.96 -0.00 0.37 -4.42 115.22 120.80 1nx7 n HIS 80 Ca 0.36 0.80 0.00 0.00 -0.00 0.00 0.00 57.72 58.88 1nx7 n HIS 80 Cb 0.17 -1.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.56 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 0.00 -0.03 1.57 -0.04 -1.26 -0.27 135.00 135.88 1nx7 n PRO 81 Ca 0.15 0.37 -0.05 0.00 -0.04 0.00 0.00 63.50 63.93 1nx7 n PRO 81 Cb 0.17 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.37 0.54 -0.03 3.54 2.03 -1.26 -4.41 116.55 115.59 1nx7 n ASP 82 Ca 0.00 0.25 -0.07 0.00 0.52 0.00 0.00 54.79 55.49 1nx7 n ASP 82 Cb 0.00 0.49 -0.14 0.00 -0.72 0.00 0.00 41.12 40.76 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 -2.85 0.69 0.00 1.67 -0.08 0.63 -5.20 116.55 111.42 1nx7 n ASP 83 Ca -0.18 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1nx7 n ASP 83 Cb 0.98 0.21 0.00 0.00 2.34 0.00 0.00 41.12 44.65 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86