#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 -0.73 0.00 0.11 -1.26 -4.97 120.40 113.53 1nx7 s VAL 4 Ca 0.00 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 1nx7 s VAL 4 Cb 0.00 -0.52 0.06 0.00 -1.53 0.00 0.00 36.38 34.40 1nx7 s VAL 4 CO 0.00 0.02 1.09 -0.54 -3.33 0.00 0.00 175.10 172.34 1nx7 s LYS 5 N 0.76 3.20 -0.17 1.54 1.02 -1.03 -4.88 119.74 120.18 1nx7 s LYS 5 Ca -0.05 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.87 1nx7 s LYS 5 Cb -0.06 -4.34 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 1nx7 s LYS 5 CO -0.05 -1.92 1.75 0.71 -0.92 0.00 0.00 175.35 174.92 1nx7 s TYR 6 N 4.43 1.85 -0.01 3.18 2.02 -1.26 -1.27 117.35 126.29 1nx7 s TYR 6 Ca 0.28 0.38 0.05 0.00 -0.37 0.00 0.00 57.07 57.41 1nx7 s TYR 6 Cb -0.13 -4.01 -0.01 0.00 -0.40 0.00 0.00 41.96 37.42 1nx7 s TYR 6 CO 0.08 -3.53 -0.17 0.71 -1.57 0.00 0.00 175.55 171.07 1nx7 s TYR 7 N 5.46 1.53 0.49 2.71 2.02 0.11 -4.73 117.35 124.94 1nx7 s TYR 7 Ca 0.78 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 57.15 1nx7 s TYR 7 Cb -0.29 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1nx7 s TYR 7 CO 0.32 -0.02 0.78 -0.08 -1.57 0.00 0.00 175.55 174.97 1nx7 s THR 8 N -0.41 4.56 0.33 -0.71 -1.32 -1.26 -0.56 115.64 116.28 1nx7 s THR 8 Ca 0.07 0.04 0.08 0.00 -1.21 0.00 0.00 61.69 60.67 1nx7 s THR 8 Cb -0.07 -3.74 0.39 0.00 -1.51 0.00 0.00 72.50 67.58 1nx7 s THR 8 CO -0.01 -0.70 1.58 -0.07 -2.21 0.00 0.00 174.62 173.21 1nx7 h LEU 9 N 0.19 -0.20 -0.79 9.08 3.38 -1.97 0.16 115.31 125.16 1nx7 h LEU 9 Ca -0.47 0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.85 1nx7 h LEU 9 Cb 1.22 0.41 -0.10 0.00 0.09 0.00 0.00 40.66 42.28 1nx7 h LEU 9 CO 0.61 -0.38 -0.54 -0.08 0.09 0.00 0.00 178.44 178.14 1nx7 h GLU 10 N 0.01 -0.09 -0.59 1.13 4.57 -1.97 0.15 114.58 117.79 1nx7 h GLU 10 Ca 0.69 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.98 1nx7 h GLU 10 Cb 1.58 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 30.10 1nx7 h GLU 10 CO -0.87 -0.06 0.14 0.93 -1.18 0.00 0.00 179.01 177.97 1nx7 h GLU 11 N -0.09 0.27 -0.42 1.92 3.07 -1.05 -1.49 114.58 116.79 1nx7 h GLU 11 Ca 0.13 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1nx7 h GLU 11 Cb 0.42 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1nx7 h GLU 11 CO -0.79 0.18 -0.09 0.82 -1.40 0.00 0.00 179.01 177.73 1nx7 h ILE 12 N 0.28 1.25 -0.32 3.13 5.03 -1.13 -3.29 117.51 122.46 1nx7 h ILE 12 Ca 0.31 -1.10 -0.05 0.00 -0.12 0.00 0.00 64.86 63.90 1nx7 h ILE 12 Cb 0.45 1.02 -0.02 0.00 -3.03 0.00 0.00 36.82 35.24 1nx7 h ILE 12 CO -0.38 0.38 -0.01 -0.61 -0.68 0.00 0.00 178.15 176.84 1nx7 h GLN 13 N 0.66 0.49 -0.52 2.37 4.15 0.39 0.20 115.11 122.85 1nx7 h GLN 13 Ca 0.12 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1nx7 h GLN 13 Cb 0.54 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 1nx7 h GLN 13 CO 0.03 0.53 0.35 0.87 -1.93 0.00 0.00 178.83 178.67 1nx7 h LYS 14 N 0.47 0.64 -3.39 1.69 1.57 -1.61 -3.38 116.57 112.56 1nx7 h LYS 14 Ca 0.10 -0.04 -0.80 0.00 -1.87 0.00 0.00 60.65 58.05 1nx7 h LYS 14 Cb 0.33 -0.14 -0.28 0.00 0.08 0.00 0.00 32.23 32.21 1nx7 h LYS 14 CO 0.01 0.42 0.50 0.72 -0.57 0.00 0.00 179.45 180.54 1nx7 n HIS 15 N -4.46 4.53 -2.02 -1.35 8.25 0.70 -4.50 115.22 116.37 1nx7 n HIS 15 Ca 0.05 -3.62 -0.01 0.00 -0.26 0.00 0.00 57.72 53.89 1nx7 n HIS 15 Cb 0.09 -1.57 -0.01 0.00 1.12 0.00 0.00 29.99 29.62 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 2.33 -0.09 -2.00 0.41 0.23 -0.01 -0.62 115.26 115.51 1nx7 n ASN 16 Ca 0.24 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.92 1nx7 n ASN 16 Cb 0.38 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1nx7 n ASN 17 N 0.02 0.00 0.26 0.53 5.03 0.92 -4.86 115.26 117.15 1nx7 n ASN 17 Ca -0.03 -0.94 0.17 0.00 0.87 0.00 0.00 54.58 54.65 1nx7 n ASN 17 Cb 0.59 0.00 0.87 0.00 -1.02 0.00 0.00 39.78 40.22 1nx7 n ASN 17 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1nx7 h SER 18 N 0.00 0.00 0.00 6.41 0.87 -2.00 -3.36 113.55 115.47 1nx7 h SER 18 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nx7 h SER 18 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1nx7 h SER 18 CO 0.00 0.00 -0.37 1.17 -0.53 0.00 0.00 176.83 177.10 1nx7 n LYS 19 N -2.76 0.00 -1.71 2.24 3.00 -1.26 -5.02 118.16 112.65 1nx7 n LYS 19 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.89 1nx7 n LYS 19 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 35.03 34.87 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nx7 s SER 20 N -5.14 5.18 -0.27 3.14 0.15 -1.26 -4.49 113.70 111.01 1nx7 s SER 20 Ca 0.00 1.35 -0.03 0.00 0.70 0.00 0.00 55.95 57.97 1nx7 s SER 20 Cb 0.00 -2.51 0.09 0.00 -1.71 0.00 0.00 66.02 61.89 1nx7 s SER 20 CO 0.00 -2.26 0.10 -0.89 1.20 0.00 0.00 173.24 171.39 1nx7 s THR 21 N 9.42 0.26 0.18 6.45 2.01 -1.26 -0.06 115.64 132.64 1nx7 s THR 21 Ca 0.92 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1nx7 s THR 21 Cb -0.24 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1nx7 s THR 21 CO 0.30 -0.60 0.06 0.26 -0.69 0.00 0.00 174.62 173.96 1nx7 s TRP 22 N 1.94 2.96 0.29 4.92 0.52 0.21 -1.22 118.94 128.56 1nx7 s TRP 22 Ca 0.07 -0.10 -0.18 0.00 0.02 0.00 0.00 56.10 55.92 1nx7 s TRP 22 Cb -0.16 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1nx7 s TRP 22 CO -0.27 0.53 0.66 -0.48 0.02 0.00 0.00 176.95 177.41 1nx7 s LEU 23 N -3.12 -0.04 -0.13 2.99 0.05 -0.57 -0.25 118.68 117.61 1nx7 s LEU 23 Ca 0.29 -0.79 0.00 0.00 0.05 0.00 0.00 54.13 53.68 1nx7 s LEU 23 Cb -0.09 2.47 0.02 0.00 -2.05 0.00 0.00 46.19 46.54 1nx7 s LEU 23 CO 0.21 -1.34 -0.12 -0.63 -0.55 0.00 0.00 176.35 173.92 1nx7 s ILE 24 N -3.70 1.36 -0.32 1.48 1.01 -0.20 -0.26 121.20 120.57 1nx7 s ILE 24 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1nx7 s ILE 24 Cb -0.04 -1.30 0.08 0.00 0.01 0.00 0.00 42.46 41.20 1nx7 s ILE 24 CO 0.09 0.42 0.03 -0.76 0.00 0.00 0.00 174.94 174.72 1nx7 s LEU 25 N 1.50 4.28 -0.96 2.97 1.02 -0.08 -0.28 118.68 127.13 1nx7 s LEU 25 Ca 0.03 -1.67 -0.10 0.00 0.02 0.00 0.00 54.13 52.42 1nx7 s LEU 25 Cb -0.13 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 1nx7 s LEU 25 CO -0.09 -0.33 0.74 1.41 0.02 0.00 0.00 176.35 178.10 1nx7 n HIS 26 N 4.49 -2.25 0.00 0.29 8.25 -1.26 -2.50 115.22 122.23 1nx7 n HIS 26 Ca -0.07 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 1nx7 n HIS 26 Cb 0.42 -3.50 0.00 0.00 1.12 0.00 0.00 29.99 28.03 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 -3.15 0.00 -2.76 4.41 4.01 -1.26 -4.94 117.16 113.46 1nx7 n TYR 27 Ca -0.12 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.21 1nx7 n TYR 27 Cb 0.59 -0.16 -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 4.57 -0.30 -0.72 -0.14 -1.04 -0.05 119.74 122.05 1nx7 s LYS 28 Ca 0.00 1.35 -0.16 0.00 -1.36 0.00 0.00 55.97 55.79 1nx7 s LYS 28 Cb 0.00 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.69 1nx7 s LYS 28 CO 0.00 0.02 0.43 0.08 -0.76 0.00 0.00 175.35 175.13 1nx7 s VAL 29 N 0.77 5.11 -0.22 3.17 1.01 0.46 -0.90 120.40 129.79 1nx7 s VAL 29 Ca 0.49 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 1nx7 s VAL 29 Cb -0.21 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1nx7 s VAL 29 CO 0.27 0.02 0.08 -0.31 0.00 0.00 0.00 175.10 175.16 1nx7 s TYR 30 N 2.19 3.15 -1.04 5.22 1.51 0.64 -1.10 117.35 127.92 1nx7 s TYR 30 Ca 0.17 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1nx7 s TYR 30 Cb -0.16 -2.18 0.20 0.00 -0.11 0.00 0.00 41.96 39.71 1nx7 s TYR 30 CO 0.11 -0.14 2.23 -0.40 -1.11 0.00 0.00 175.55 176.25 1nx7 n ASP 31 N 4.37 7.53 0.00 2.29 5.75 0.06 -1.52 116.55 135.04 1nx7 n ASP 31 Ca -0.16 -3.40 0.00 0.00 -0.01 0.00 0.00 54.79 51.22 1nx7 n ASP 31 Cb 0.52 -1.25 0.02 0.00 -1.03 0.00 0.00 41.12 39.38 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 0.77 0.00 -0.29 -2.12 4.77 -0.35 -4.15 117.00 115.63 1nx7 n LEU 32 Ca 0.55 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 1nx7 n LEU 32 Cb 0.30 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.64 1nx7 n LEU 32 CO 0.56 0.00 0.92 0.74 -1.33 0.00 0.00 177.39 178.28 1nx7 h THR 33 N 0.00 0.34 0.00 -5.08 2.02 -1.76 0.33 112.91 108.76 1nx7 h THR 33 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1nx7 h THR 33 Cb 0.00 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1nx7 h THR 33 CO 0.00 0.04 -0.55 0.11 0.37 0.00 0.00 175.52 175.49 1nx7 h LYS 34 N 0.20 0.00 0.00 6.66 1.57 -1.90 -3.36 116.57 119.74 1nx7 h LYS 34 Ca 0.52 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.19 1nx7 h LYS 34 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1nx7 h LYS 34 CO -0.64 0.00 -0.68 0.35 -0.57 0.00 0.00 179.45 177.90 1nx7 h PHE 35 N 0.00 0.00 -0.75 -1.35 3.57 -0.72 -3.35 116.94 114.35 1nx7 h PHE 35 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1nx7 h PHE 35 Cb 0.81 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.46 1nx7 h PHE 35 CO 0.00 0.43 -0.41 1.28 -2.23 0.00 0.00 178.31 177.38 1nx7 n LEU 36 N -3.10 -0.73 -0.13 0.59 4.77 -0.08 -0.50 117.00 117.82 1nx7 n LEU 36 Ca -0.00 1.33 -0.09 0.00 -0.03 0.00 0.00 56.01 57.22 1nx7 n LEU 36 Cb 0.73 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1nx7 n LEU 36 CO 0.40 -1.11 0.94 -0.33 -1.33 0.00 0.00 177.39 175.97 1nx7 h GLU 37 N 0.00 0.57 -0.28 3.23 3.07 -1.85 -3.12 114.58 116.20 1nx7 h GLU 37 Ca 0.15 -0.09 -0.16 0.00 -0.50 0.00 0.00 59.36 58.76 1nx7 h GLU 37 Cb 0.34 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1nx7 h GLU 37 CO -0.72 0.51 -0.46 0.93 -1.40 0.00 0.00 179.01 177.88 1nx7 h GLU 38 N 0.49 0.73 -6.45 2.33 4.39 -1.34 -3.47 114.58 111.27 1nx7 h GLU 38 Ca 0.13 -0.41 -0.58 0.00 0.34 0.00 0.00 59.36 58.84 1nx7 h GLU 38 Cb 0.14 0.03 0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1nx7 h GLU 38 CO -0.02 1.04 0.96 1.58 -1.16 0.00 0.00 179.01 181.42 1nx7 n HIS 39 N -4.02 2.39 -0.21 4.33 -0.00 0.35 -4.90 115.22 113.17 1nx7 n HIS 39 Ca -0.03 0.08 0.21 0.00 0.46 0.00 0.00 57.72 58.45 1nx7 n HIS 39 Cb 0.57 -2.63 0.57 0.00 -0.12 0.00 0.00 29.99 28.38 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 7.50 0.29 -0.56 1.57 0.13 -1.91 0.16 132.00 139.17 1nx7 h PRO 40 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.25 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nx7 h PRO 40 CO 0.92 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 1nx7 n GLY 41 N -1.56 1.03 4.53 1.56 0.00 -1.26 -5.04 105.19 104.44 1nx7 n GLY 41 Ca 0.18 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.65 0.13 -0.02 0.00 0.54 -4.54 105.19 100.16 1nx7 n GLY 42 Ca 0.08 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 1nx7 n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nx7 h GLU 43 N 0.00 0.20 -0.61 1.61 -0.00 -1.83 -3.41 114.58 110.55 1nx7 h GLU 43 Ca 0.01 -0.34 0.12 0.00 -0.00 0.00 0.00 59.36 59.15 1nx7 h GLU 43 Cb 0.33 0.13 -0.12 0.00 -0.00 0.00 0.00 28.75 29.09 1nx7 h GLU 43 CO 0.00 1.16 -0.24 1.49 -0.00 0.00 0.00 179.01 181.43 1nx7 h GLU 44 N -0.26 -0.08 -0.63 1.06 4.57 -1.90 0.21 114.58 117.54 1nx7 h GLU 44 Ca -0.39 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 57.88 1nx7 h GLU 44 Cb 1.81 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 30.36 1nx7 h GLU 44 CO 0.01 -0.05 0.29 -0.39 -1.18 0.00 0.00 179.01 177.68 1nx7 h VAL 45 N -0.08 0.84 -0.19 0.32 -1.51 -1.80 0.19 116.25 114.02 1nx7 h VAL 45 Ca 0.27 -0.17 -0.13 0.00 -1.23 0.00 0.00 66.70 65.44 1nx7 h VAL 45 Cb 0.51 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1nx7 h VAL 45 CO -0.66 0.09 -0.37 -0.07 -1.23 0.00 0.00 177.57 175.33 1nx7 h LEU 46 N 0.51 0.66 -0.31 4.19 3.38 -0.94 -1.42 115.31 121.38 1nx7 h LEU 46 Ca 0.31 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1nx7 h LEU 46 Cb 0.33 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1nx7 h LEU 46 CO -0.26 1.08 -0.00 -0.09 0.09 0.00 0.00 178.44 179.26 1nx7 h ARG 47 N 0.26 0.09 -0.79 1.13 2.43 -0.51 0.13 114.38 117.12 1nx7 h ARG 47 Ca 0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1nx7 h ARG 47 Cb 0.97 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.44 1nx7 h ARG 47 CO 0.08 0.06 0.48 0.93 -1.51 0.00 0.00 179.97 180.01 1nx7 h GLU 48 N 0.09 0.86 0.00 0.20 5.08 -0.43 -0.21 114.58 120.17 1nx7 h GLU 48 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nx7 h GLU 48 Cb 0.20 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1nx7 h GLU 48 CO -0.26 0.57 0.00 1.04 -1.00 0.00 0.00 179.01 179.37 1nx7 n GLN 49 N -4.66 0.22 -1.73 2.33 1.13 -0.55 -4.91 117.38 109.20 1nx7 n GLN 49 Ca 0.11 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.81 1nx7 n GLN 49 Cb 0.16 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 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 -2.74 3.90 -0.01 -1.58 0.00 0.43 -2.53 121.76 119.24 1nx7 s ALA 50 Ca 0.19 1.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.75 1nx7 s ALA 50 Cb 0.16 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1nx7 s ALA 50 CO 0.41 -0.95 0.01 0.41 0.00 0.00 0.00 175.76 175.63 1nx7 n GLY 51 N 3.56 0.68 3.74 0.00 0.00 0.65 -4.75 105.19 109.06 1nx7 n GLY 51 Ca 0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.00 -0.25 -0.46 -0.02 0.00 -1.05 -4.24 107.32 98.30 1nx7 s GLY 52 Ca 0.00 0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.65 1nx7 s GLY 52 CO 0.00 0.03 2.01 0.51 0.00 0.00 0.00 173.10 175.65 1nx7 s ASP 53 N -2.92 5.26 -0.34 1.64 -4.77 -1.26 -1.03 116.67 113.26 1nx7 s ASP 53 Ca 0.12 0.96 0.07 0.00 -3.30 0.00 0.00 52.55 50.40 1nx7 s ASP 53 Cb -0.01 -2.52 0.66 0.00 -1.09 0.00 0.00 42.92 39.96 1nx7 s ASP 53 CO 0.01 -2.27 1.76 0.00 0.70 0.00 0.00 175.17 175.38 1nx7 n ALA 54 N 12.72 4.75 -0.01 2.11 0.00 0.61 -4.36 120.51 136.32 1nx7 n ALA 54 Ca 0.26 -2.30 -0.09 0.00 0.00 0.00 0.00 53.44 51.31 1nx7 n ALA 54 Cb 0.50 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 1.92 0.58 0.00 0.00 2.02 -1.00 0.10 112.91 116.53 1nx7 h THR 55 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 1nx7 h THR 55 Cb 2.39 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1nx7 h THR 55 CO 0.80 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.90 1nx7 n GLU 56 N -5.30 0.00 -0.24 6.66 2.13 -1.26 -0.68 120.64 121.94 1nx7 n GLU 56 Ca -0.02 0.74 -0.05 0.00 0.66 0.00 0.00 57.16 58.49 1nx7 n GLU 56 Cb 0.22 -1.16 0.05 0.00 0.27 0.00 0.00 31.44 30.82 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 0.79 -0.76 4.31 2.35 -1.76 0.32 115.58 120.83 1nx7 h ASN 57 Ca 0.00 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 55.80 1nx7 h ASN 57 Cb 0.00 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.10 1nx7 h ASN 57 CO 0.00 0.59 0.41 0.15 -1.65 0.00 0.00 177.43 176.93 1nx7 h PHE 58 N 0.92 0.75 0.00 1.19 3.57 -0.36 -1.50 116.94 121.50 1nx7 h PHE 58 Ca 0.25 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.55 1nx7 h PHE 58 Cb -0.08 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.40 1nx7 h PHE 58 CO -0.02 0.30 -1.55 0.39 -2.23 0.00 0.00 178.31 175.20 1nx7 n GLU 59 N -4.79 0.63 0.04 1.11 -0.58 0.14 -1.07 120.64 116.12 1nx7 n GLU 59 Ca 0.12 0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 1nx7 n GLU 59 Cb 0.26 -1.80 -0.09 0.00 -0.57 0.00 0.00 31.44 29.24 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 0.00 -0.09 -0.45 1.62 3.58 -0.41 -2.60 116.42 118.08 1nx7 h ASP 60 Ca -0.22 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 1nx7 h ASP 60 Cb 1.79 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.84 1nx7 h ASP 60 CO 0.06 0.23 0.26 0.58 -2.88 0.00 0.00 179.24 177.50 1nx7 h VAL 61 N -0.42 1.14 -1.93 2.25 2.07 -1.36 -3.47 116.25 114.53 1nx7 h VAL 61 Ca -0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1nx7 h VAL 61 Cb 0.36 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1nx7 h VAL 61 CO 0.02 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1nx7 n GLY 62 N -1.34 0.45 3.68 2.17 0.00 -0.23 -4.95 105.19 104.96 1nx7 n GLY 62 Ca 0.04 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.97 2.26 -0.89 1.61 8.25 -0.81 -4.93 115.22 119.75 1nx7 n HIS 63 Ca 0.00 0.38 -0.33 0.00 -0.26 0.00 0.00 57.72 57.51 1nx7 n HIS 63 Cb 0.48 -2.49 0.13 0.00 1.12 0.00 0.00 29.99 29.23 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 2.43 -0.58 -0.19 0.41 7.64 -1.26 -4.55 113.62 117.51 1nx7 n SER 64 Ca 0.12 0.45 -0.12 0.00 1.01 0.00 0.00 58.87 60.33 1nx7 n SER 64 Cb 0.31 -1.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.07 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 -1.37 0.00 -0.96 0.44 2.02 -1.99 0.14 112.91 111.20 1nx7 h THR 65 Ca -0.44 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.04 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 0.40 0.00 0.27 0.44 0.37 0.00 0.00 175.52 177.00 1nx7 h ASP 66 N -0.29 -0.05 0.22 4.18 5.19 -1.98 0.73 116.42 124.43 1nx7 h ASP 66 Ca 0.09 0.24 -0.22 0.00 -0.62 0.00 0.00 57.03 56.53 1nx7 h ASP 66 Cb 0.52 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1nx7 h ASP 66 CO -0.63 -0.31 -0.87 0.00 -3.12 0.00 0.00 179.24 174.31 1nx7 h ALA 67 N 1.92 0.41 -0.51 3.45 0.00 -1.17 0.30 119.26 123.66 1nx7 h ALA 67 Ca 0.67 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1nx7 h ALA 67 Cb 1.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1nx7 h ALA 67 CO -0.78 0.77 0.26 -0.09 0.00 0.00 0.00 179.25 179.41 1nx7 h ARG 68 N 0.30 0.49 0.04 0.00 2.43 0.87 0.13 114.38 118.63 1nx7 h ARG 68 Ca -0.07 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 58.83 1nx7 h ARG 68 Cb 1.48 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 1nx7 h ARG 68 CO 0.15 0.32 -1.18 0.93 -1.51 0.00 0.00 179.97 178.69 1nx7 h GLU 69 N 0.50 0.08 -0.01 0.20 4.39 -0.66 -3.14 114.58 115.94 1nx7 h GLU 69 Ca 0.23 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1nx7 h GLU 69 Cb 0.14 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1nx7 h GLU 69 CO -0.16 0.99 0.01 1.25 -1.16 0.00 0.00 179.01 179.94 1nx7 h LEU 70 N 0.02 0.02 -1.30 1.33 5.85 -0.35 -3.22 115.31 117.65 1nx7 h LEU 70 Ca -0.09 -0.07 0.37 0.00 0.84 0.00 0.00 57.88 58.93 1nx7 h LEU 70 Cb 1.86 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.76 1nx7 h LEU 70 CO 0.14 0.08 0.74 0.77 -0.34 0.00 0.00 178.44 179.83 1nx7 h SER 71 N -0.05 0.35 -1.08 1.25 4.64 -0.68 -1.32 113.55 116.66 1nx7 h SER 71 Ca 0.00 0.14 0.31 0.00 -0.47 0.00 0.00 61.79 61.77 1nx7 h SER 71 Cb 0.07 0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.15 1nx7 h SER 71 CO -0.00 -0.11 0.67 0.11 -0.87 0.00 0.00 176.83 176.63 1nx7 h LYS 72 N 0.21 0.34 0.00 4.77 1.79 -1.63 0.13 116.57 122.17 1nx7 h LYS 72 Ca 0.74 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.19 1nx7 h LYS 72 Cb 2.11 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 1nx7 h LYS 72 CO -0.43 0.22 0.09 1.79 -1.08 0.00 0.00 179.45 180.04 1nx7 h THR 73 N 0.35 0.00 -0.30 -0.16 1.35 -1.47 -2.00 112.91 110.68 1nx7 h THR 73 Ca 0.67 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.53 1nx7 h THR 73 Cb 1.70 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1nx7 h THR 73 CO -0.41 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.35 1nx7 n PHE 74 N -2.96 0.40 -2.50 4.73 3.72 0.03 -4.96 117.46 115.91 1nx7 n PHE 74 Ca -0.03 -0.39 -0.43 0.00 -0.05 0.00 0.00 57.45 56.56 1nx7 n PHE 74 Cb 0.15 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.01 4.05 -0.10 4.37 1.01 -0.76 -0.76 121.20 128.01 1nx7 s ILE 75 Ca 0.23 1.05 0.15 0.00 0.00 0.00 0.00 60.65 62.08 1nx7 s ILE 75 Cb 0.13 -4.48 -0.23 0.00 0.01 0.00 0.00 42.46 37.88 1nx7 s ILE 75 CO 0.17 -0.99 0.45 2.30 0.00 0.00 0.00 174.94 176.87 1nx7 n ILE 76 N 6.91 1.49 -2.82 2.92 -5.35 -0.26 -4.98 119.36 117.26 1nx7 n ILE 76 Ca 0.13 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1nx7 n ILE 76 Cb 0.49 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 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 2.23 3.48 3.28 0.00 -1.14 -2.47 105.19 112.19 1nx7 n GLY 77 Ca -0.22 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.41 1.02 -0.13 1.61 2.12 -0.39 -0.40 118.70 121.11 1nx7 s GLU 78 Ca 0.00 -0.19 -0.29 0.00 0.36 0.00 0.00 54.97 54.85 1nx7 s GLU 78 Cb 0.00 0.47 -0.06 0.00 0.26 0.00 0.00 34.13 34.80 1nx7 s GLU 78 CO 0.00 -0.41 2.07 -1.17 -0.54 0.00 0.00 175.26 175.21 1nx7 s LEU 79 N -2.15 3.83 0.01 2.70 2.96 0.92 0.09 118.68 127.05 1nx7 s LEU 79 Ca -0.01 2.12 -0.34 0.00 -0.22 0.00 0.00 54.13 55.68 1nx7 s LEU 79 Cb -0.01 -3.52 -0.17 0.00 0.50 0.00 0.00 46.19 42.99 1nx7 s LEU 79 CO -0.05 -1.58 0.90 1.57 -1.32 0.00 0.00 176.35 175.87 1nx7 n HIS 80 N 9.95 0.48 0.14 5.38 -0.00 0.28 -4.73 115.22 126.72 1nx7 n HIS 80 Ca 0.25 0.93 0.01 0.00 -0.00 0.00 0.00 57.72 58.91 1nx7 n HIS 80 Cb 0.44 -1.83 0.07 0.00 -0.00 0.00 0.00 29.99 28.67 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 1.28 0.07 -0.08 1.57 -0.04 -1.26 -0.73 135.00 135.81 1nx7 n PRO 81 Ca 0.17 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1nx7 n PRO 81 Cb 0.08 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.05 1.06 0.18 3.54 2.03 -1.26 -4.69 116.55 116.36 1nx7 n ASP 82 Ca 0.02 -0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.24 1nx7 n ASP 82 Cb 0.01 0.89 -0.05 0.00 -0.72 0.00 0.00 41.12 41.26 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 -0.44 0.00 1.67 1.82 -1.27 -3.54 116.42 114.67 1nx7 h ASP 83 Ca -0.43 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1nx7 h ASP 83 Cb 1.98 0.11 0.00 0.00 0.68 0.00 0.00 39.33 42.11 1nx7 h ASP 83 CO 0.02 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.20