#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha6 n SER 2 N 0.00 -0.80 -0.28 0.00 2.88 -1.26 -4.84 113.62 109.32 1ha6 n SER 2 Ca 0.00 -0.04 0.01 0.00 -1.33 0.00 0.00 58.87 57.50 1ha6 n SER 2 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1ha6 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ha6 n ASN 3 N -1.33 0.64 -2.56 -3.46 6.94 -1.26 -4.03 115.26 110.20 1ha6 n ASN 3 Ca 0.00 -2.02 -0.36 0.00 -0.02 0.00 0.00 54.58 52.18 1ha6 n ASN 3 Cb 0.00 -0.22 0.05 0.00 -2.36 0.00 0.00 39.78 37.25 1ha6 n ASN 3 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ha6 n TYR 4 N -0.21 2.96 -3.03 -2.53 4.02 -1.26 -4.62 117.16 112.49 1ha6 n TYR 4 Ca 0.01 -2.63 -0.24 0.00 -0.01 0.00 0.00 57.90 55.03 1ha6 n TYR 4 Cb 0.14 -1.32 -0.04 0.00 -0.02 0.00 0.00 39.34 38.11 1ha6 n TYR 4 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1ha6 n ASP 5 N -0.61 3.36 0.00 7.72 9.92 -1.26 -4.80 116.55 130.89 1ha6 n ASP 5 Ca 0.57 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 51.36 1ha6 n ASP 5 Cb 0.47 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ha6 n LEU 8 N 1.29 0.11 -3.48 0.00 4.32 -1.26 -4.18 117.00 113.80 1ha6 n LEU 8 Ca 0.02 1.10 0.02 0.00 -0.02 0.00 0.00 56.01 57.13 1ha6 n LEU 8 Cb 0.55 -0.54 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1ha6 n LEU 8 CO 0.52 -1.16 0.87 -0.94 -1.22 0.00 0.00 177.39 175.46 1ha6 s SER 9 N -4.14 -0.21 0.93 -1.43 1.04 -1.26 -5.15 113.70 103.48 1ha6 s SER 9 Ca -0.06 0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.51 1ha6 s SER 9 Cb 0.26 1.15 -0.13 0.00 0.10 0.00 0.00 66.02 67.40 1ha6 s SER 9 CO 0.75 -0.05 -0.60 0.00 0.98 0.00 0.00 173.24 174.33 1ha6 n TYR 10 N 3.85 -4.56 -1.55 5.02 9.36 -1.26 -4.37 117.16 123.65 1ha6 n TYR 10 Ca -0.13 0.05 -0.15 0.00 3.32 0.00 0.00 57.90 60.99 1ha6 n TYR 10 Cb 0.56 -1.50 -0.09 0.00 -0.63 0.00 0.00 39.34 37.67 1ha6 n TYR 10 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 1ha6 n ILE 11 N -2.45 -0.00 0.32 2.97 0.13 0.12 -4.73 119.36 115.72 1ha6 n ILE 11 Ca 0.00 -0.51 0.19 0.00 -1.10 0.00 0.00 62.75 61.34 1ha6 n ILE 11 Cb 0.55 -1.72 1.09 0.00 -0.84 0.00 0.00 39.64 38.71 1ha6 n ILE 11 CO 0.00 0.00 0.00 0.06 2.80 0.00 0.00 176.55 179.41 1ha6 h GLN 12 N 12.68 0.00 -2.06 9.51 3.07 -1.89 -3.38 115.11 133.05 1ha6 h GLN 12 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.54 1ha6 h GLN 12 Cb 1.03 0.00 -0.31 0.00 0.08 0.00 0.00 27.48 28.28 1ha6 h GLN 12 CO 1.10 0.00 -0.53 0.99 0.09 0.00 0.00 178.83 180.49 1ha6 s THR 13 N -4.35 -0.53 -0.43 1.86 2.01 -1.26 -5.12 115.64 107.82 1ha6 s THR 13 Ca -0.05 -0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 1ha6 s THR 13 Cb 0.14 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 1ha6 s THR 13 CO 0.47 -0.16 1.84 -2.16 -0.69 0.00 0.00 174.62 173.92 1ha6 s PRO 14 N 2.48 3.05 0.24 4.92 0.04 -1.26 -4.99 135.00 139.48 1ha6 s PRO 14 Ca 0.11 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.29 1ha6 s PRO 14 Cb -0.15 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.07 1ha6 s PRO 14 CO -0.16 -2.20 0.46 -0.48 0.04 0.00 0.00 177.00 174.66 1ha6 s LEU 15 N 7.82 4.15 0.73 -3.56 2.34 -1.26 -5.08 118.68 123.82 1ha6 s LEU 15 Ca 0.76 0.55 -0.12 0.00 0.06 0.00 0.00 54.13 55.38 1ha6 s LEU 15 Cb -0.19 -3.34 0.03 0.00 -0.56 0.00 0.00 46.19 42.14 1ha6 s LEU 15 CO 0.29 -0.11 1.10 -2.16 -1.06 0.00 0.00 176.35 174.41 1ha6 s PRO 16 N -3.40 2.47 0.00 1.48 0.04 -1.26 -4.83 135.00 129.50 1ha6 s PRO 16 Ca 0.41 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.80 1ha6 s PRO 16 Cb -0.11 -1.92 0.43 0.00 0.04 0.00 0.00 34.50 32.94 1ha6 s PRO 16 CO 0.29 -1.49 1.19 -1.13 0.04 0.00 0.00 177.00 175.90 1ha6 n SER 17 N -3.08 0.00 0.00 6.66 3.41 -1.26 -1.72 113.62 117.63 1ha6 n SER 17 Ca 0.10 0.25 0.08 0.00 -0.26 0.00 0.00 58.87 59.04 1ha6 n SER 17 Cb 0.53 -0.34 0.50 0.00 -0.26 0.00 0.00 64.21 64.63 1ha6 n SER 17 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ha6 n ARG 18 N -1.34 0.98 0.00 4.33 0.63 -1.26 -2.28 116.66 117.72 1ha6 n ARG 18 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1ha6 n ARG 18 Cb 0.08 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 31.72 1ha6 n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ha6 n ALA 19 N -0.77 1.61 -2.50 5.13 0.00 -0.70 -5.02 120.51 118.26 1ha6 n ALA 19 Ca 0.13 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.39 1ha6 n ALA 19 Cb 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 1ha6 n ALA 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ha6 s ILE 20 N -0.53 5.24 -0.09 0.00 1.09 -0.97 -3.42 121.20 122.51 1ha6 s ILE 20 Ca 0.00 -0.67 -0.23 0.00 -1.10 0.00 0.00 60.65 58.65 1ha6 s ILE 20 Cb 0.00 -3.96 -0.28 0.00 -1.06 0.00 0.00 42.46 37.15 1ha6 s ILE 20 CO 0.00 -0.35 0.76 1.62 -0.10 0.00 0.00 174.94 176.86 1ha6 h VAL 21 N 5.65 1.48 -2.13 2.92 3.04 -1.83 -3.48 116.25 121.90 1ha6 h VAL 21 Ca -0.27 -2.44 -0.02 0.00 -1.01 0.00 0.00 66.70 62.96 1ha6 h VAL 21 Cb 1.12 3.11 -0.22 0.00 -2.01 0.00 0.00 31.29 33.29 1ha6 h VAL 21 CO 0.75 0.66 -0.01 -0.83 -1.01 0.00 0.00 177.57 177.13 1ha6 s GLY 22 N -4.48 -0.55 0.24 3.17 0.00 -0.87 -5.03 107.32 99.79 1ha6 s GLY 22 Ca -0.17 2.14 -0.05 0.00 0.00 0.00 0.00 44.72 46.63 1ha6 s GLY 22 CO 0.76 2.07 0.31 -0.11 0.00 0.00 0.00 173.10 176.13 1ha6 s PHE 23 N 1.22 0.89 0.19 1.90 -0.71 -1.26 0.75 117.98 120.96 1ha6 s PHE 23 Ca -0.07 -1.15 -0.10 0.00 -1.04 0.00 0.00 56.93 54.57 1ha6 s PHE 23 Cb -0.05 -0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.51 1ha6 s PHE 23 CO -0.13 -0.84 0.35 0.99 -1.34 0.00 0.00 175.22 174.26 1ha6 s THR 24 N -3.94 0.04 0.14 -4.49 2.01 0.14 -4.98 115.64 104.56 1ha6 s THR 24 Ca 0.32 -1.36 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 1ha6 s THR 24 Cb 0.03 -1.95 -0.06 0.00 0.01 0.00 0.00 72.50 70.53 1ha6 s THR 24 CO 0.13 -0.18 0.46 -0.13 -0.69 0.00 0.00 174.62 174.21 1ha6 s ARG 25 N -3.98 3.80 -0.20 4.92 0.52 -1.26 -1.10 118.95 121.65 1ha6 s ARG 25 Ca 0.19 0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.64 1ha6 s ARG 25 Cb 0.02 -2.88 0.04 0.00 0.52 0.00 0.00 34.95 32.64 1ha6 s ARG 25 CO 0.03 0.48 -0.14 -1.14 0.02 0.00 0.00 175.30 174.55 1ha6 s GLN 26 N -2.23 2.37 0.92 3.54 0.74 -0.40 -4.80 119.66 119.80 1ha6 s GLN 26 Ca 0.38 -0.88 -0.14 0.00 0.05 0.00 0.00 55.36 54.77 1ha6 s GLN 26 Cb -0.13 -2.49 0.16 0.00 1.10 0.00 0.00 33.01 31.65 1ha6 s GLN 26 CO 0.20 -0.36 1.24 0.00 -0.55 0.00 0.00 175.29 175.82 1ha6 s MET 27 N 1.33 1.05 -0.59 1.67 0.23 -1.26 -2.31 119.30 119.42 1ha6 s MET 27 Ca 0.00 -0.14 -0.01 0.00 -1.03 0.00 0.00 55.69 54.51 1ha6 s MET 27 Cb -0.15 -1.87 0.15 0.00 -1.53 0.00 0.00 34.83 31.43 1ha6 s MET 27 CO -0.09 -2.18 0.39 0.00 -2.03 0.00 0.00 175.02 171.11 1ha6 s ALA 28 N -3.67 3.50 0.00 3.16 0.00 -1.26 -4.38 121.76 119.12 1ha6 s ALA 28 Ca 0.69 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 49.41 1ha6 s ALA 28 Cb -0.08 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1ha6 s ALA 28 CO 0.52 -2.07 0.00 -0.25 0.00 0.00 0.00 175.76 173.96 1ha6 n ASP 29 N 3.44 -0.02 -2.57 0.00 8.00 0.50 -4.87 116.55 121.02 1ha6 n ASP 29 Ca 0.07 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1ha6 n ASP 29 Cb 0.37 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1ha6 n ASP 29 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ha6 n GLU 30 N -2.27 2.46 0.25 -1.24 2.13 -1.26 -4.72 120.64 115.99 1ha6 n GLU 30 Ca 0.00 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.99 1ha6 n GLU 30 Cb 0.00 0.00 0.80 0.00 0.27 0.00 0.00 31.44 32.51 1ha6 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ha6 h ALA 31 N -2.00 1.62 -3.09 4.31 0.00 -2.01 -3.38 119.26 114.71 1ha6 h ALA 31 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 1ha6 h ALA 31 Cb 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 1ha6 h ALA 31 CO 0.00 -0.44 -0.56 0.00 0.00 0.00 0.00 179.25 178.26 1ha6 n ASP 33 N 2.55 3.05 -4.18 0.00 -0.08 -1.26 -0.37 116.55 116.26 1ha6 n ASP 33 Ca -0.18 -2.00 -0.13 0.00 -1.51 0.00 0.00 54.79 50.97 1ha6 n ASP 33 Cb 0.54 -0.03 -0.11 0.00 2.34 0.00 0.00 41.12 43.86 1ha6 n ASP 33 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1ha6 s ILE 34 N -1.93 0.89 -0.18 5.18 -4.36 -1.26 -4.65 121.20 114.89 1ha6 s ILE 34 Ca 0.29 -1.75 -0.27 0.00 -0.26 0.00 0.00 60.65 58.67 1ha6 s ILE 34 Cb 0.20 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 1ha6 s ILE 34 CO 0.30 -0.66 0.92 0.20 0.24 0.00 0.00 174.94 175.94 1ha6 s ASN 35 N -2.66 7.03 0.35 4.36 -0.87 -1.26 -4.19 114.94 117.71 1ha6 s ASN 35 Ca 0.08 1.28 0.07 0.00 -1.57 0.00 0.00 52.86 52.72 1ha6 s ASN 35 Cb -0.00 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.25 38.70 1ha6 s ASN 35 CO -0.01 -0.49 0.26 0.00 -2.57 0.00 0.00 177.10 174.29 1ha6 s ALA 36 N 2.48 2.08 -0.27 0.60 0.00 -0.98 -4.02 121.76 121.66 1ha6 s ALA 36 Ca 0.41 -1.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.43 1ha6 s ALA 36 Cb -0.16 1.37 0.08 0.00 0.00 0.00 0.00 23.12 24.41 1ha6 s ALA 36 CO 0.11 -0.62 0.04 0.42 0.00 0.00 0.00 175.76 175.71 1ha6 s ILE 37 N -3.37 1.17 -0.73 0.00 -1.09 0.11 -1.27 121.20 116.02 1ha6 s ILE 37 Ca 0.38 -1.32 -0.26 0.00 -2.23 0.00 0.00 60.65 57.22 1ha6 s ILE 37 Cb 0.02 -1.72 -0.02 0.00 -1.58 0.00 0.00 42.46 39.16 1ha6 s ILE 37 CO 0.26 -0.43 1.84 -0.63 -1.23 0.00 0.00 174.94 174.76 1ha6 s ILE 38 N 1.51 3.43 0.12 2.92 1.01 -0.26 -1.68 121.20 128.24 1ha6 s ILE 38 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1ha6 s ILE 38 Cb -0.18 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1ha6 s ILE 38 CO -0.15 -1.02 0.44 -0.36 0.00 0.00 0.00 174.94 173.86 1ha6 s PHE 39 N 9.06 3.56 -0.43 3.97 0.08 0.20 0.28 117.98 134.69 1ha6 s PHE 39 Ca 0.65 0.82 0.07 0.00 0.12 0.00 0.00 56.93 58.59 1ha6 s PHE 39 Cb -0.10 -2.19 0.23 0.00 -0.57 0.00 0.00 43.02 40.40 1ha6 s PHE 39 CO 0.12 0.46 0.51 0.72 -0.10 0.00 0.00 175.22 176.94 1ha6 n HIS 40 N 0.67 0.04 -0.39 0.36 8.25 0.23 0.10 115.22 124.48 1ha6 n HIS 40 Ca -0.06 -3.60 -0.30 0.00 -0.26 0.00 0.00 57.72 53.50 1ha6 n HIS 40 Cb 0.52 -0.27 0.29 0.00 1.12 0.00 0.00 29.99 31.65 1ha6 n HIS 40 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ha6 s THR 41 N -1.10 1.23 -0.99 1.59 -4.23 -1.20 -2.05 115.64 108.89 1ha6 s THR 41 Ca 0.35 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.11 1ha6 s THR 41 Cb 0.14 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.93 1ha6 s THR 41 CO -0.12 0.00 1.47 2.29 -0.54 0.00 0.00 174.62 177.72 1ha6 n LYS 42 N -5.61 0.01 -2.75 3.99 2.85 -1.22 -4.25 118.16 111.18 1ha6 n LYS 42 Ca 0.12 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1ha6 n LYS 42 Cb 0.60 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.54 1ha6 n LYS 42 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ha6 n LYS 43 N -1.51 1.59 -3.64 -1.58 4.81 -1.26 -5.06 118.16 111.50 1ha6 n LYS 43 Ca 0.06 -3.04 -0.04 0.00 -0.87 0.00 0.00 58.31 54.42 1ha6 n LYS 43 Cb 0.34 -1.18 -0.07 0.00 0.02 0.00 0.00 35.03 34.14 1ha6 n LYS 43 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ha6 s ARG 44 N -2.96 0.36 1.06 1.64 0.52 -1.26 -5.18 118.95 113.13 1ha6 s ARG 44 Ca 0.24 0.56 -0.17 0.00 -0.52 0.00 0.00 55.73 55.84 1ha6 s ARG 44 Cb 0.34 0.11 0.27 0.00 0.52 0.00 0.00 34.95 36.19 1ha6 s ARG 44 CO -0.06 -0.07 0.61 0.36 0.02 0.00 0.00 175.30 176.17 1ha6 n LYS 45 N 3.18 -3.97 -1.68 3.54 2.85 -1.26 -3.26 118.16 117.56 1ha6 n LYS 45 Ca -0.17 -1.03 -0.57 0.00 -1.05 0.00 0.00 58.31 55.49 1ha6 n LYS 45 Cb 0.57 -1.37 -0.07 0.00 -0.65 0.00 0.00 35.03 33.51 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1ha6 n SER 46 N -4.88 2.02 -4.35 -5.58 3.41 -1.25 -4.54 113.62 98.45 1ha6 n SER 46 Ca 0.10 1.10 -0.33 0.00 -0.26 0.00 0.00 58.87 59.47 1ha6 n SER 46 Cb 0.43 -1.13 -0.14 0.00 -0.26 0.00 0.00 64.21 63.11 1ha6 n SER 46 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ha6 s VAL 47 N 2.58 3.12 -0.42 -3.33 1.01 0.12 -4.90 120.40 118.57 1ha6 s VAL 47 Ca 0.95 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 1ha6 s VAL 47 Cb -1.08 -2.34 0.09 0.00 0.00 0.00 0.00 36.38 33.05 1ha6 s VAL 47 CO 0.62 0.50 0.25 0.00 0.00 0.00 0.00 175.10 176.47 1ha6 s ALA 49 N 1.33 2.59 0.31 0.00 0.00 -0.68 0.13 121.76 125.44 1ha6 s ALA 49 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 1ha6 s ALA 49 Cb -0.24 -1.12 -0.10 0.00 0.00 0.00 0.00 23.12 21.66 1ha6 s ALA 49 CO -0.00 0.32 1.31 -0.51 0.00 0.00 0.00 175.76 176.88 1ha6 s ASP 50 N 0.10 6.80 -0.16 0.00 1.11 -1.26 0.08 116.67 123.34 1ha6 s ASP 50 Ca -0.06 2.63 -0.05 0.00 0.18 0.00 0.00 52.55 55.25 1ha6 s ASP 50 Cb -0.15 -2.64 -0.20 0.00 1.07 0.00 0.00 42.92 41.00 1ha6 s ASP 50 CO 0.05 -0.53 2.95 -0.81 1.18 0.00 0.00 175.17 178.01 1ha6 n PRO 51 N 1.18 1.77 0.00 8.23 -0.04 -1.26 -3.84 135.00 141.04 1ha6 n PRO 51 Ca 0.01 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1ha6 n PRO 51 Cb 0.42 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1ha6 n PRO 51 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ha6 n LYS 52 N 2.76 -0.92 -4.11 0.54 4.76 -1.26 -4.90 118.16 115.03 1ha6 n LYS 52 Ca 0.38 -0.49 -0.25 0.00 -2.87 0.00 0.00 58.31 55.08 1ha6 n LYS 52 Cb 0.67 -0.99 -0.07 0.00 -1.84 0.00 0.00 35.03 32.79 1ha6 n LYS 52 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1ha6 s GLN 53 N -0.01 2.24 -0.11 1.97 1.11 -1.25 -5.06 119.66 118.54 1ha6 s GLN 53 Ca 0.00 -1.83 -0.25 0.00 0.01 0.00 0.00 55.36 53.29 1ha6 s GLN 53 Cb 0.00 -2.00 -0.27 0.00 -1.01 0.00 0.00 33.01 29.73 1ha6 s GLN 53 CO 0.00 -0.12 0.73 -2.95 0.01 0.00 0.00 175.29 172.96 1ha6 h ASN 54 N 1.41 0.19 -0.45 5.90 -1.07 -1.96 -2.12 115.58 117.48 1ha6 h ASN 54 Ca -0.43 -0.92 0.07 0.00 0.07 0.00 0.00 56.30 55.09 1ha6 h ASN 54 Cb 1.25 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 37.39 1ha6 h ASN 54 CO 0.69 1.24 0.12 4.11 0.07 0.00 0.00 177.43 183.66 1ha6 h TRP 55 N -0.73 0.20 0.89 4.14 5.08 -1.98 0.56 115.95 124.12 1ha6 h TRP 55 Ca -0.11 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.84 1ha6 h TRP 55 Cb 1.31 -0.02 0.01 0.00 -3.00 0.00 0.00 29.16 27.46 1ha6 h TRP 55 CO 0.22 0.04 -0.43 0.28 -1.28 0.00 0.00 178.44 177.27 1ha6 h VAL 56 N 0.26 0.00 -0.73 0.12 2.07 -1.89 -1.21 116.25 114.88 1ha6 h VAL 56 Ca 0.22 -0.04 0.21 0.00 0.82 0.00 0.00 66.70 67.90 1ha6 h VAL 56 Cb 0.25 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1ha6 h VAL 56 CO -0.26 0.00 0.57 0.11 0.02 0.00 0.00 177.57 178.02 1ha6 h LYS 57 N -1.24 0.00 0.14 1.57 1.79 -0.92 0.26 116.57 118.16 1ha6 h LYS 57 Ca -0.12 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1ha6 h LYS 57 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1ha6 h LYS 57 CO 0.20 0.00 -0.06 -0.09 -1.08 0.00 0.00 179.45 178.42 1ha6 h ARG 58 N 0.00 -0.17 -0.80 3.15 9.65 0.49 0.51 114.38 127.20 1ha6 h ARG 58 Ca 0.35 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.22 1ha6 h ARG 58 Cb 1.49 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 30.07 1ha6 h ARG 58 CO -0.00 0.26 0.43 0.00 2.80 0.00 0.00 179.97 183.46 1ha6 h ALA 59 N 0.02 1.02 0.00 2.80 0.00 0.06 -1.10 119.26 122.06 1ha6 h ALA 59 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ha6 h ALA 59 Cb 0.52 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ha6 h ALA 59 CO 0.03 0.54 -0.13 0.28 0.00 0.00 0.00 179.25 179.97 1ha6 h VAL 60 N 1.11 0.40 0.45 0.00 2.07 -0.53 -2.32 116.25 117.42 1ha6 h VAL 60 Ca 0.28 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1ha6 h VAL 60 Cb 0.04 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ha6 h VAL 60 CO -0.04 0.13 -0.22 -1.13 0.02 0.00 0.00 177.57 176.33 1ha6 h ASN 61 N 0.00 -0.51 -0.70 0.57 -0.73 0.13 0.79 115.58 115.13 1ha6 h ASN 61 Ca -0.00 -0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.06 1ha6 h ASN 61 Cb 0.53 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 1ha6 h ASN 61 CO 0.02 -0.15 0.37 -0.07 -0.37 0.00 0.00 177.43 177.22 1ha6 h LEU 62 N -0.92 0.90 -1.10 0.34 4.07 -1.45 -1.10 115.31 116.05 1ha6 h LEU 62 Ca -0.06 -0.11 0.05 0.00 0.08 0.00 0.00 57.88 57.84 1ha6 h LEU 62 Cb 0.58 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 42.03 1ha6 h LEU 62 CO 0.10 0.75 0.61 0.25 -1.08 0.00 0.00 178.44 179.07 1ha6 h LEU 63 N 0.97 0.98 -0.00 1.67 6.46 -1.34 -2.14 115.31 121.92 1ha6 h LEU 63 Ca 0.25 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1ha6 h LEU 63 Cb 0.07 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1ha6 h LEU 63 CO -0.04 0.66 -0.04 -1.28 -0.62 0.00 0.00 178.44 177.12 1ha6 h SER 64 N 1.13 -0.12 0.18 1.25 0.87 0.19 0.87 113.55 117.92 1ha6 h SER 64 Ca 0.38 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 1ha6 h SER 64 Cb 0.09 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1ha6 h SER 64 CO -0.13 -0.06 -0.08 -0.07 -0.53 0.00 0.00 176.83 175.95 1ha6 h LEU 65 N -0.07 0.00 0.16 2.23 3.38 -1.18 0.70 115.31 120.53 1ha6 h LEU 65 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ha6 h LEU 65 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ha6 h LEU 65 CO -0.04 0.08 -0.08 -0.09 0.09 0.00 0.00 178.44 178.40 1ha6 h ARG 66 N 0.00 -0.21 -0.98 1.13 1.12 -0.56 -3.33 114.38 111.55 1ha6 h ARG 66 Ca -0.00 0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.74 1ha6 h ARG 66 Cb 0.19 0.05 -0.09 0.00 -0.01 0.00 0.00 29.97 30.12 1ha6 h ARG 66 CO 0.01 -0.13 0.18 1.55 -3.11 0.00 0.00 179.97 178.48 1ha6 n VAL 67 N -4.92 1.60 -2.70 0.20 3.14 0.29 -4.22 118.33 111.71 1ha6 n VAL 67 Ca -0.03 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.70 1ha6 n VAL 67 Cb 0.10 -0.76 0.05 0.00 -1.06 0.00 0.00 33.84 32.16 1ha6 n VAL 67 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ha6 n LYS 68 N -0.00 0.32 -1.06 1.45 0.00 0.19 -4.95 118.16 114.10 1ha6 n LYS 68 Ca 0.18 -1.14 -0.11 0.00 0.00 0.00 0.00 58.31 57.24 1ha6 n LYS 68 Cb 0.84 -0.58 0.07 0.00 0.00 0.00 0.00 35.03 35.36 1ha6 n LYS 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ha6 n LYS 69 N 2.06 -0.17 0.00 1.64 4.76 -1.25 -4.36 118.16 120.84 1ha6 n LYS 69 Ca 0.08 -0.97 0.00 0.00 -2.87 0.00 0.00 58.31 54.55 1ha6 n LYS 69 Cb 0.65 -0.44 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 1ha6 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03