#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 0.00 -4.42 0.00 3.41 -1.26 -5.14 113.62 106.22 1ha6 n SER 2 Ca 0.00 0.00 -0.59 0.00 -0.26 0.00 0.00 58.87 58.02 1ha6 n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1ha6 n SER 2 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ha6 n ASN 3 N 0.00 0.32 -4.56 4.04 4.13 -1.26 -4.98 115.26 112.95 1ha6 n ASN 3 Ca 0.00 1.13 -0.25 0.00 1.68 0.00 0.00 54.58 57.14 1ha6 n ASN 3 Cb 0.00 -0.88 0.12 0.00 -1.54 0.00 0.00 39.78 37.48 1ha6 n ASN 3 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1ha6 s TYR 4 N 0.80 1.63 -0.42 3.10 1.51 -1.26 -5.07 117.35 117.63 1ha6 s TYR 4 Ca 0.92 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.91 1ha6 s TYR 4 Cb -1.29 -3.25 0.32 0.00 -0.11 0.00 0.00 41.96 37.63 1ha6 s TYR 4 CO 0.62 -1.91 1.20 -3.47 -1.11 0.00 0.00 175.55 170.88 1ha6 n ASP 5 N -3.04 -2.03 0.00 2.29 2.03 -1.26 -4.94 116.55 109.59 1ha6 n ASP 5 Ca 0.15 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.28 1ha6 n ASP 5 Cb 0.60 1.71 0.00 0.00 -0.72 0.00 0.00 41.12 42.71 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ha6 n LEU 8 N -2.73 -0.47 -3.62 0.00 4.77 -1.26 -4.55 117.00 109.14 1ha6 n LEU 8 Ca 0.03 1.12 -0.09 0.00 -0.03 0.00 0.00 56.01 57.04 1ha6 n LEU 8 Cb 0.58 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1ha6 n LEU 8 CO 0.53 -0.99 0.77 -0.94 -1.33 0.00 0.00 177.39 175.44 1ha6 s SER 9 N -5.25 -0.40 0.42 -1.43 1.04 -1.26 -5.03 113.70 101.79 1ha6 s SER 9 Ca -0.09 0.68 -0.17 0.00 0.48 0.00 0.00 55.95 56.85 1ha6 s SER 9 Cb 0.12 0.65 -0.14 0.00 0.10 0.00 0.00 66.02 66.75 1ha6 s SER 9 CO 0.44 -0.21 -0.06 0.00 0.98 0.00 0.00 173.24 174.40 1ha6 n TYR 10 N 1.70 -2.39 -1.54 5.02 4.19 -1.26 -4.39 117.16 118.49 1ha6 n TYR 10 Ca -0.12 0.45 -0.14 0.00 3.31 0.00 0.00 57.90 61.41 1ha6 n TYR 10 Cb 0.57 -1.54 -0.10 0.00 0.49 0.00 0.00 39.34 38.76 1ha6 n TYR 10 CO 0.00 0.00 0.00 1.51 0.91 0.00 0.00 176.86 179.28 1ha6 n ILE 11 N -1.22 0.00 0.33 2.97 0.13 0.08 -4.73 119.36 116.92 1ha6 n ILE 11 Ca 0.08 -0.36 0.22 0.00 -1.10 0.00 0.00 62.75 61.59 1ha6 n ILE 11 Cb 0.40 -1.74 1.18 0.00 -0.84 0.00 0.00 39.64 38.64 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 12.11 0.00 -2.77 9.51 3.07 -1.90 -3.34 115.11 131.78 1ha6 h GLN 12 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.19 1ha6 h GLN 12 Cb 1.01 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.18 1ha6 h GLN 12 CO 1.06 0.00 -0.80 0.99 0.09 0.00 0.00 178.83 180.16 1ha6 s THR 13 N -4.16 0.13 -0.39 1.86 2.01 -1.26 -5.11 115.64 108.71 1ha6 s THR 13 Ca -0.05 -1.23 -0.28 0.00 0.31 0.00 0.00 61.69 60.44 1ha6 s THR 13 Cb 0.13 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1ha6 s THR 13 CO 0.43 -0.83 1.86 -2.16 -0.69 0.00 0.00 174.62 173.23 1ha6 s PRO 14 N 1.61 3.12 0.06 4.92 0.04 -1.26 -5.01 135.00 138.48 1ha6 s PRO 14 Ca 0.13 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1ha6 s PRO 14 Cb -0.19 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 1ha6 s PRO 14 CO -0.20 -2.12 0.22 -0.48 0.04 0.00 0.00 177.00 174.46 1ha6 s LEU 15 N 7.68 4.36 0.59 -3.56 2.34 -1.26 -5.08 118.68 123.74 1ha6 s LEU 15 Ca 0.79 0.30 -0.19 0.00 0.06 0.00 0.00 54.13 55.09 1ha6 s LEU 15 Cb -0.21 -2.95 -0.04 0.00 -0.56 0.00 0.00 46.19 42.44 1ha6 s LEU 15 CO 0.31 0.17 1.23 -2.16 -1.06 0.00 0.00 176.35 174.84 1ha6 s PRO 16 N -2.46 2.97 0.52 1.48 0.04 -1.26 -4.87 135.00 131.41 1ha6 s PRO 16 Ca 0.35 1.88 0.26 0.00 0.04 0.00 0.00 61.00 63.52 1ha6 s PRO 16 Cb -0.13 -1.96 1.39 0.00 0.04 0.00 0.00 34.50 33.84 1ha6 s PRO 16 CO 0.27 -1.22 1.75 0.66 0.04 0.00 0.00 177.00 178.50 1ha6 h SER 17 N 0.94 0.00 0.00 6.66 4.64 -1.93 0.75 113.55 124.61 1ha6 h SER 17 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ha6 h SER 17 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ha6 h SER 17 CO 0.55 0.00 0.11 0.03 -0.87 0.00 0.00 176.83 176.65 1ha6 h ARG 18 N 0.00 0.00 -0.01 4.77 3.08 -2.00 0.59 114.38 120.80 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ha6 h ARG 18 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ha6 h ARG 18 CO 0.00 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.75 1ha6 n ALA 19 N -2.02 2.77 -2.50 0.04 0.00 0.26 -4.93 120.51 114.13 1ha6 n ALA 19 Ca -0.03 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1ha6 n ALA 19 Cb 0.17 -0.50 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.49 5.10 -0.13 0.00 1.09 0.20 -2.48 121.20 123.50 1ha6 s ILE 20 Ca 0.15 -0.25 -0.15 0.00 -1.10 0.00 0.00 60.65 59.29 1ha6 s ILE 20 Cb 0.12 -3.99 -0.25 0.00 -1.06 0.00 0.00 42.46 37.27 1ha6 s ILE 20 CO 0.27 -0.35 0.46 -0.37 -0.10 0.00 0.00 174.94 174.85 1ha6 h VAL 21 N 5.69 0.93 -4.06 2.92 -1.51 -1.80 -3.48 116.25 114.94 1ha6 h VAL 21 Ca -0.27 -2.35 -0.27 0.00 -1.23 0.00 0.00 66.70 62.59 1ha6 h VAL 21 Cb 1.12 2.59 -0.15 0.00 -2.13 0.00 0.00 31.29 32.72 1ha6 h VAL 21 CO 0.77 0.67 -0.64 -0.83 -1.23 0.00 0.00 177.57 176.32 1ha6 s GLY 22 N -5.07 1.31 -0.17 5.19 0.00 -0.72 -5.04 107.32 102.81 1ha6 s GLY 22 Ca -0.22 -1.64 -0.35 0.00 0.00 0.00 0.00 44.72 42.51 1ha6 s GLY 22 CO 0.73 -1.48 1.40 -0.11 0.00 0.00 0.00 173.10 173.64 1ha6 s PHE 23 N -3.86 -0.01 0.16 1.90 -0.71 -1.26 -0.15 117.98 114.05 1ha6 s PHE 23 Ca 0.29 0.00 -0.08 0.00 -1.04 0.00 0.00 56.93 56.11 1ha6 s PHE 23 Cb 0.07 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.37 1ha6 s PHE 23 CO 0.07 -0.04 0.24 0.99 -1.34 0.00 0.00 175.22 175.14 1ha6 s THR 24 N -2.08 0.08 0.02 -4.49 2.01 0.75 -4.96 115.64 106.97 1ha6 s THR 24 Ca 0.13 -1.46 -0.17 0.00 0.31 0.00 0.00 61.69 60.50 1ha6 s THR 24 Cb 0.04 -1.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 1ha6 s THR 24 CO -0.05 -0.34 0.49 -0.13 -0.69 0.00 0.00 174.62 173.90 1ha6 s ARG 25 N -3.98 4.08 -0.30 4.92 0.52 -1.26 -0.83 118.95 122.11 1ha6 s ARG 25 Ca 0.18 0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.94 1ha6 s ARG 25 Cb 0.04 -3.25 0.09 0.00 0.52 0.00 0.00 34.95 32.35 1ha6 s ARG 25 CO -0.00 0.61 0.08 -1.14 0.02 0.00 0.00 175.30 174.87 1ha6 s GLN 26 N -0.92 0.84 0.81 3.54 0.74 -0.14 -4.83 119.66 119.70 1ha6 s GLN 26 Ca 0.26 -1.08 -0.11 0.00 0.05 0.00 0.00 55.36 54.48 1ha6 s GLN 26 Cb -0.18 -2.16 0.08 0.00 1.10 0.00 0.00 33.01 31.86 1ha6 s GLN 26 CO 0.16 -0.92 1.09 -1.64 -0.55 0.00 0.00 175.29 173.42 1ha6 s MET 27 N 1.56 1.95 -0.55 1.67 -1.94 -1.26 -0.05 119.30 120.67 1ha6 s MET 27 Ca 0.08 0.81 -0.17 0.00 -1.71 0.00 0.00 55.69 54.70 1ha6 s MET 27 Cb -0.17 -1.89 0.11 0.00 2.01 0.00 0.00 34.83 34.89 1ha6 s MET 27 CO -0.21 -1.76 0.58 0.00 -0.01 0.00 0.00 175.02 173.62 1ha6 s ALA 28 N -3.03 3.53 0.00 3.03 0.00 -1.25 -4.42 121.76 119.61 1ha6 s ALA 28 Ca 0.61 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1ha6 s ALA 28 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1ha6 s ALA 28 CO 0.55 -2.12 0.00 -0.25 0.00 0.00 0.00 175.76 173.95 1ha6 n ASP 29 N 5.72 0.00 -1.11 0.00 8.00 0.64 -4.86 116.55 124.93 1ha6 n ASP 29 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1ha6 n ASP 29 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.00 2.88 0.16 -1.24 4.07 -1.26 -4.73 120.64 120.52 1ha6 n GLU 30 Ca 0.00 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.29 1ha6 n GLU 30 Cb 0.00 0.00 0.76 0.00 -0.06 0.00 0.00 31.44 32.14 1ha6 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ha6 h ALA 31 N -2.00 1.90 -2.79 4.31 0.00 -2.01 -3.38 119.26 115.28 1ha6 h ALA 31 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1ha6 h ALA 31 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1ha6 h ALA 31 CO 0.00 -0.57 -0.50 0.00 0.00 0.00 0.00 179.25 178.17 1ha6 n ASP 33 N 1.45 1.45 -4.30 0.00 4.64 -1.26 -0.26 116.55 118.27 1ha6 n ASP 33 Ca -0.15 -1.23 -0.22 0.00 -1.38 0.00 0.00 54.79 51.81 1ha6 n ASP 33 Cb 0.54 0.60 -0.12 0.00 -1.04 0.00 0.00 41.12 41.10 1ha6 n ASP 33 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1ha6 s ILE 34 N -2.10 1.71 0.03 5.18 -4.36 -1.26 -4.55 121.20 115.86 1ha6 s ILE 34 Ca 0.12 -1.71 -0.29 0.00 -0.26 0.00 0.00 60.65 58.51 1ha6 s ILE 34 Cb 0.13 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 1ha6 s ILE 34 CO 0.48 -0.20 0.95 0.21 0.24 0.00 0.00 174.94 176.62 1ha6 s ASN 35 N -2.27 7.38 0.05 4.36 3.84 -1.26 -3.89 114.94 123.15 1ha6 s ASN 35 Ca 0.10 1.66 -0.10 0.00 0.21 0.00 0.00 52.86 54.73 1ha6 s ASN 35 Cb -0.08 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.07 1ha6 s ASN 35 CO 0.05 -0.18 0.23 0.00 -2.79 0.00 0.00 177.10 174.41 1ha6 s ALA 36 N 0.64 -0.42 -0.43 1.71 0.00 0.93 -4.03 121.76 120.15 1ha6 s ALA 36 Ca 0.49 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1ha6 s ALA 36 Cb -0.21 0.35 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1ha6 s ALA 36 CO 0.28 -0.42 0.30 0.42 0.00 0.00 0.00 175.76 176.34 1ha6 s ILE 37 N -2.91 4.55 -0.61 0.00 -1.09 0.14 -0.97 121.20 120.30 1ha6 s ILE 37 Ca -0.02 -1.26 -0.26 0.00 -2.23 0.00 0.00 60.65 56.87 1ha6 s ILE 37 Cb 0.01 -3.75 -0.24 0.00 -1.58 0.00 0.00 42.46 36.89 1ha6 s ILE 37 CO -0.06 -0.51 1.84 -0.38 -1.23 0.00 0.00 174.94 174.60 1ha6 n ILE 38 N 5.01 0.87 -2.10 2.92 5.41 -0.01 -1.48 119.36 129.98 1ha6 n ILE 38 Ca -0.11 -0.81 -0.36 0.00 1.00 0.00 0.00 62.75 62.47 1ha6 n ILE 38 Cb 0.43 -2.13 0.02 0.00 -0.71 0.00 0.00 39.64 37.26 1ha6 n ILE 38 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1ha6 s PHE 39 N 8.87 2.50 -0.41 1.39 0.08 0.15 -0.18 117.98 130.39 1ha6 s PHE 39 Ca 0.68 1.52 0.09 0.00 0.12 0.00 0.00 56.93 59.33 1ha6 s PHE 39 Cb 0.09 -3.44 0.29 0.00 -0.57 0.00 0.00 43.02 39.39 1ha6 s PHE 39 CO 0.22 -2.01 0.63 0.72 -0.10 0.00 0.00 175.22 174.68 1ha6 n HIS 40 N -1.38 0.38 -0.48 0.36 8.25 0.79 -0.06 115.22 123.08 1ha6 n HIS 40 Ca 0.12 -3.72 -0.30 0.00 -0.26 0.00 0.00 57.72 53.56 1ha6 n HIS 40 Cb 0.50 -0.40 0.28 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.88 1.37 -2.45 1.59 -4.23 -1.21 -1.76 115.64 107.08 1ha6 s THR 41 Ca 0.38 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.11 1ha6 s THR 41 Cb 0.23 -2.12 0.35 0.00 1.34 0.00 0.00 72.50 72.30 1ha6 s THR 41 CO -0.09 0.00 1.33 1.17 -0.54 0.00 0.00 174.62 176.48 1ha6 n LYS 42 N -5.43 2.36 -0.63 3.99 0.00 -1.03 -4.33 118.16 113.08 1ha6 n LYS 42 Ca 0.11 -2.14 0.02 0.00 0.00 0.00 0.00 58.31 56.30 1ha6 n LYS 42 Cb 0.59 -1.47 0.02 0.00 0.00 0.00 0.00 35.03 34.17 1ha6 n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ha6 n LYS 43 N 1.37 0.16 -3.63 1.64 4.81 -1.26 -5.04 118.16 116.21 1ha6 n LYS 43 Ca 0.17 -1.37 -0.02 0.00 -0.87 0.00 0.00 58.31 56.21 1ha6 n LYS 43 Cb 0.58 -0.53 -0.06 0.00 0.02 0.00 0.00 35.03 35.03 1ha6 n LYS 43 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1ha6 s ARG 44 N -0.34 0.40 1.02 1.64 3.52 -1.26 -5.17 118.95 118.75 1ha6 s ARG 44 Ca 0.10 0.70 -0.17 0.00 -0.13 0.00 0.00 55.73 56.23 1ha6 s ARG 44 Cb 0.10 0.10 0.26 0.00 -1.56 0.00 0.00 34.95 33.85 1ha6 s ARG 44 CO -0.03 -0.09 0.59 1.17 -0.81 0.00 0.00 175.30 176.14 1ha6 n LYS 45 N 3.81 -3.89 -1.35 5.12 4.81 -1.26 -3.31 118.16 122.09 1ha6 n LYS 45 Ca -0.18 -1.00 -0.59 0.00 -0.87 0.00 0.00 58.31 55.67 1ha6 n LYS 45 Cb 0.57 -1.32 -0.11 0.00 0.02 0.00 0.00 35.03 34.20 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ha6 n SER 46 N -4.80 0.87 -4.70 3.14 3.41 -1.25 -4.60 113.62 105.68 1ha6 n SER 46 Ca 0.09 0.82 -0.35 0.00 -0.26 0.00 0.00 58.87 59.17 1ha6 n SER 46 Cb 0.41 -0.84 -0.09 0.00 -0.26 0.00 0.00 64.21 63.43 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 4.62 4.50 -0.38 -3.33 1.01 0.92 -4.79 120.40 122.94 1ha6 s VAL 47 Ca 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 1ha6 s VAL 47 Cb -1.41 -2.91 0.09 0.00 0.00 0.00 0.00 36.38 32.15 1ha6 s VAL 47 CO 0.68 0.59 0.15 0.00 0.00 0.00 0.00 175.10 176.52 1ha6 s ALA 49 N 1.16 2.81 0.14 0.00 0.00 -0.55 -0.74 121.76 124.58 1ha6 s ALA 49 Ca 0.05 -1.66 -0.35 0.00 0.00 0.00 0.00 51.96 50.00 1ha6 s ALA 49 Cb -0.22 -1.90 -0.16 0.00 0.00 0.00 0.00 23.12 20.84 1ha6 s ALA 49 CO -0.03 -1.13 1.33 -3.47 0.00 0.00 0.00 175.76 172.45 1ha6 n ASP 50 N 4.66 1.87 -2.47 0.00 2.03 -1.26 0.23 116.55 121.62 1ha6 n ASP 50 Ca -0.14 1.12 -0.13 0.00 0.52 0.00 0.00 54.79 56.16 1ha6 n ASP 50 Cb 0.45 -1.25 -0.09 0.00 -0.72 0.00 0.00 41.12 39.50 1ha6 n ASP 50 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ha6 n PRO 51 N 2.38 1.67 0.00 -0.67 -0.04 -1.26 -3.43 135.00 133.66 1ha6 n PRO 51 Ca 0.17 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 1ha6 n PRO 51 Cb 0.23 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.06 0.00 -0.89 0.54 4.76 -1.26 -4.89 118.16 119.48 1ha6 n LYS 52 Ca 0.36 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.50 1ha6 n LYS 52 Cb 0.48 -0.88 0.17 0.00 -1.84 0.00 0.00 35.03 32.96 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 -1.90 0.77 -0.10 1.97 -0.21 -1.22 -4.90 119.66 114.07 1ha6 s GLN 53 Ca 0.00 1.10 -0.28 0.00 0.02 0.00 0.00 55.36 56.20 1ha6 s GLN 53 Cb 0.00 -1.73 -0.25 0.00 1.00 0.00 0.00 33.01 32.03 1ha6 s GLN 53 CO 0.00 -2.66 0.91 -2.95 -2.12 0.00 0.00 175.29 168.47 1ha6 h ASN 54 N -1.86 0.02 -1.00 5.90 7.08 -1.97 -1.76 115.58 121.98 1ha6 h ASN 54 Ca -0.50 -0.86 0.13 0.00 -3.08 0.00 0.00 56.30 51.99 1ha6 h ASN 54 Cb 1.28 -0.01 -0.09 0.00 -2.08 0.00 0.00 38.32 37.43 1ha6 h ASN 54 CO 0.49 0.88 0.63 4.11 -2.08 0.00 0.00 177.43 181.46 1ha6 h TRP 55 N -0.84 1.14 0.36 4.14 5.08 -1.96 0.46 115.95 124.33 1ha6 h TRP 55 Ca -0.00 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.98 1ha6 h TRP 55 Cb 0.88 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 1ha6 h TRP 55 CO 0.23 0.43 -0.17 0.28 -1.28 0.00 0.00 178.44 177.92 1ha6 h VAL 56 N 0.97 0.00 -1.01 0.12 2.07 -1.91 -1.18 116.25 115.31 1ha6 h VAL 56 Ca 0.51 -0.03 0.26 0.00 0.82 0.00 0.00 66.70 68.26 1ha6 h VAL 56 Cb 0.54 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1ha6 h VAL 56 CO -0.28 0.00 0.67 0.07 0.02 0.00 0.00 177.57 178.05 1ha6 h LYS 57 N -0.52 0.29 0.31 1.57 2.10 -0.36 0.20 116.57 120.17 1ha6 h LYS 57 Ca -0.05 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1ha6 h LYS 57 Cb 0.37 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1ha6 h LYS 57 CO 0.08 0.20 -0.15 0.00 -2.00 0.00 0.00 179.45 177.58 1ha6 h ARG 58 N 0.30 -0.40 -0.52 0.07 2.47 0.02 0.77 114.38 117.10 1ha6 h ARG 58 Ca 0.54 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 59.26 1ha6 h ARG 58 Cb 1.54 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.93 1ha6 h ARG 58 CO -0.19 -0.17 0.23 0.00 0.56 0.00 0.00 179.97 180.39 1ha6 h ALA 59 N 0.06 0.67 -0.53 0.04 0.00 0.09 -1.28 119.26 118.32 1ha6 h ALA 59 Ca -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ha6 h ALA 59 Cb 0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ha6 h ALA 59 CO 0.07 0.26 0.20 0.28 0.00 0.00 0.00 179.25 180.06 1ha6 h VAL 60 N 0.70 1.20 -0.01 0.00 2.07 -0.63 -2.54 116.25 117.04 1ha6 h VAL 60 Ca 0.18 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1ha6 h VAL 60 Cb 0.16 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ha6 h VAL 60 CO -0.02 0.24 -0.03 -1.13 0.02 0.00 0.00 177.57 176.65 1ha6 h ASN 61 N 0.75 -0.10 -0.87 0.57 -1.24 0.17 0.83 115.58 115.70 1ha6 h ASN 61 Ca 0.18 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.25 1ha6 h ASN 61 Cb 0.16 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.21 1ha6 h ASN 61 CO -0.02 -0.05 0.57 -0.07 -1.29 0.00 0.00 177.43 176.57 1ha6 h LEU 62 N -0.06 0.92 -0.95 0.34 -0.00 -1.12 -0.34 115.31 114.09 1ha6 h LEU 62 Ca 0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.82 1ha6 h LEU 62 Cb 0.08 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 1ha6 h LEU 62 CO -0.04 0.62 0.01 0.25 -0.00 0.00 0.00 178.44 179.28 1ha6 h LEU 63 N 1.06 0.74 -1.29 1.67 6.46 -0.95 -1.82 115.31 121.19 1ha6 h LEU 63 Ca 0.35 -0.17 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1ha6 h LEU 63 Cb 0.06 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 39.74 1ha6 h LEU 63 CO -0.11 0.80 0.51 -1.28 -0.62 0.00 0.00 178.44 177.75 1ha6 h SER 64 N 0.73 0.77 1.35 1.25 0.87 0.24 0.73 113.55 119.50 1ha6 h SER 64 Ca 0.15 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 1ha6 h SER 64 Cb 0.43 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1ha6 h SER 64 CO 0.02 0.51 -0.66 -0.07 -0.53 0.00 0.00 176.83 176.10 1ha6 h LEU 65 N 0.88 0.00 0.05 2.23 3.38 -1.17 -1.91 115.31 118.77 1ha6 h LEU 65 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1ha6 h LEU 65 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ha6 h LEU 65 CO -0.11 0.58 -0.02 -0.09 0.09 0.00 0.00 178.44 178.89 1ha6 h ARG 66 N 0.00 -0.06 -0.99 1.13 9.65 -0.23 -3.34 114.38 120.54 1ha6 h ARG 66 Ca -0.02 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.64 1ha6 h ARG 66 Cb 1.46 0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 29.92 1ha6 h ARG 66 CO 0.07 -0.04 0.29 1.55 2.80 0.00 0.00 179.97 184.64 1ha6 n VAL 67 N -3.23 1.99 -1.87 0.20 3.14 0.24 -4.96 118.33 113.84 1ha6 n VAL 67 Ca -0.01 -0.88 -0.36 0.00 -2.96 0.00 0.00 64.34 60.13 1ha6 n VAL 67 Cb 0.03 -0.74 0.05 0.00 -1.06 0.00 0.00 33.84 32.12 1ha6 n VAL 67 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1ha6 s LYS 68 N -1.54 2.74 -1.37 1.45 2.20 -0.72 -4.88 119.74 117.62 1ha6 s LYS 68 Ca 0.26 1.96 -0.15 0.00 -0.36 0.00 0.00 55.97 57.67 1ha6 s LYS 68 Cb 0.22 -1.88 0.07 0.00 -1.51 0.00 0.00 37.83 34.72 1ha6 s LYS 68 CO 0.05 -1.42 1.96 1.63 -0.36 0.00 0.00 175.35 177.22 1ha6 n LYS 69 N -1.76 3.06 0.00 4.03 5.02 -1.26 -5.06 118.16 122.19 1ha6 n LYS 69 Ca 0.15 -3.00 0.10 0.00 -2.02 0.00 0.00 58.31 53.54 1ha6 n LYS 69 Cb 0.49 -3.35 0.08 0.00 -0.02 0.00 0.00 35.03 32.23 1ha6 n LYS 69 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76