#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha6 s SER 2 N 0.00 -0.15 0.07 0.00 0.15 -1.26 -5.14 113.70 107.38 1ha6 s SER 2 Ca 0.00 0.09 -0.31 0.00 0.70 0.00 0.00 55.95 56.43 1ha6 s SER 2 Cb 0.00 0.14 -0.08 0.00 -1.71 0.00 0.00 66.02 64.37 1ha6 s SER 2 CO 0.00 -0.19 1.54 0.21 1.20 0.00 0.00 173.24 175.99 1ha6 s ASN 3 N -1.60 6.70 1.11 5.45 3.04 -1.26 -5.02 114.94 123.35 1ha6 s ASN 3 Ca 0.07 2.38 -0.13 0.00 0.04 0.00 0.00 52.86 55.23 1ha6 s ASN 3 Cb -0.01 -2.57 0.18 0.00 -1.54 0.00 0.00 41.25 37.31 1ha6 s ASN 3 CO -0.05 -0.80 0.78 0.00 -3.04 0.00 0.00 177.10 174.00 1ha6 n TYR 4 N 5.05 -3.74 -3.07 0.43 9.36 -1.26 -5.02 117.16 118.91 1ha6 n TYR 4 Ca 0.14 -0.70 -0.28 0.00 3.32 0.00 0.00 57.90 60.38 1ha6 n TYR 4 Cb 0.41 -0.73 -0.05 0.00 -0.63 0.00 0.00 39.34 38.34 1ha6 n TYR 4 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ha6 n ASP 5 N -4.00 4.40 0.00 2.98 2.03 -1.26 -4.91 116.55 115.79 1ha6 n ASP 5 Ca 0.10 -3.62 0.00 0.00 0.52 0.00 0.00 54.79 51.80 1ha6 n ASP 5 Cb 0.39 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 0.00 -0.52 -3.64 0.00 0.00 -1.26 -4.48 117.00 107.10 1ha6 n LEU 8 Ca 0.02 1.46 -0.04 0.00 0.00 0.00 0.00 56.01 57.45 1ha6 n LEU 8 Cb 0.07 -0.35 -0.07 0.00 0.00 0.00 0.00 43.42 43.08 1ha6 n LEU 8 CO 0.05 -1.32 0.63 -0.44 0.00 0.00 0.00 177.39 176.30 1ha6 s SER 9 N -5.29 -0.58 0.93 1.96 0.01 -1.26 -5.09 113.70 104.38 1ha6 s SER 9 Ca -0.12 0.94 -0.17 0.00 1.31 0.00 0.00 55.95 57.91 1ha6 s SER 9 Cb 0.18 1.21 -0.15 0.00 0.21 0.00 0.00 66.02 67.47 1ha6 s SER 9 CO 0.60 -0.15 -0.68 0.00 0.41 0.00 0.00 173.24 173.42 1ha6 n TYR 10 N 3.67 -4.82 -1.91 2.43 9.36 -1.26 -4.10 117.16 120.52 1ha6 n TYR 10 Ca -0.18 0.04 -0.23 0.00 3.32 0.00 0.00 57.90 60.85 1ha6 n TYR 10 Cb 0.58 -1.48 -0.06 0.00 -0.63 0.00 0.00 39.34 37.75 1ha6 n TYR 10 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1ha6 s ILE 11 N -2.01 3.33 0.67 2.97 1.10 0.20 -4.73 121.20 122.73 1ha6 s ILE 11 Ca 0.43 -0.31 0.41 0.00 -0.51 0.00 0.00 60.65 60.67 1ha6 s ILE 11 Cb -0.23 -3.80 0.42 0.00 0.15 0.00 0.00 42.46 39.00 1ha6 s ILE 11 CO 0.80 -0.67 2.28 0.06 -2.11 0.00 0.00 174.94 175.30 1ha6 h GLN 12 N 11.52 0.00 -2.25 3.50 3.07 -1.88 -3.36 115.11 125.71 1ha6 h GLN 12 Ca 0.08 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.52 1ha6 h GLN 12 Cb 1.00 0.00 -0.34 0.00 0.08 0.00 0.00 27.48 28.22 1ha6 h GLN 12 CO 1.15 0.00 -0.61 0.99 0.09 0.00 0.00 178.83 180.45 1ha6 s THR 13 N -4.16 -0.40 -0.49 1.86 2.01 -1.26 -5.12 115.64 108.08 1ha6 s THR 13 Ca -0.05 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.39 1ha6 s THR 13 Cb 0.12 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1ha6 s THR 13 CO 0.39 -0.32 1.70 -2.16 -0.69 0.00 0.00 174.62 173.54 1ha6 s PRO 14 N 2.38 3.09 0.31 4.92 0.04 -1.26 -5.00 135.00 139.48 1ha6 s PRO 14 Ca 0.09 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1ha6 s PRO 14 Cb -0.15 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 1ha6 s PRO 14 CO -0.22 -2.17 0.55 -0.48 0.04 0.00 0.00 177.00 174.71 1ha6 s LEU 15 N 7.38 4.03 0.49 -3.56 2.34 -1.26 -5.07 118.68 123.04 1ha6 s LEU 15 Ca 0.68 0.59 -0.22 0.00 0.06 0.00 0.00 54.13 55.23 1ha6 s LEU 15 Cb -0.15 -3.42 -0.07 0.00 -0.56 0.00 0.00 46.19 41.99 1ha6 s LEU 15 CO 0.27 -0.24 1.16 -2.16 -1.06 0.00 0.00 176.35 174.32 1ha6 s PRO 16 N -3.90 3.57 0.48 1.48 0.04 -1.26 -4.88 135.00 130.53 1ha6 s PRO 16 Ca 0.42 1.75 0.24 0.00 0.04 0.00 0.00 61.00 63.45 1ha6 s PRO 16 Cb -0.10 -2.26 1.31 0.00 0.04 0.00 0.00 34.50 33.49 1ha6 s PRO 16 CO 0.33 -0.70 1.70 0.66 0.04 0.00 0.00 177.00 179.03 1ha6 h SER 17 N 1.71 0.00 0.10 6.66 4.64 -1.93 1.00 113.55 125.73 1ha6 h SER 17 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1ha6 h SER 17 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1ha6 h SER 17 CO 0.59 0.00 0.00 -0.09 -0.87 0.00 0.00 176.83 176.46 1ha6 h ARG 18 N 0.00 0.00 -0.01 4.77 2.43 -1.99 0.10 114.38 119.69 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ha6 h ARG 18 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1ha6 h ARG 18 CO 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 179.97 178.11 1ha6 n ALA 19 N -1.93 3.16 -2.54 2.80 0.00 0.34 -4.93 120.51 117.40 1ha6 n ALA 19 Ca -0.02 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 1ha6 n ALA 19 Cb 0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.77 4.75 -0.05 0.00 1.09 0.36 -2.32 121.20 123.25 1ha6 s ILE 20 Ca 0.09 0.38 -0.20 0.00 -1.10 0.00 0.00 60.65 59.83 1ha6 s ILE 20 Cb 0.10 -4.24 -0.31 0.00 -1.06 0.00 0.00 42.46 36.96 1ha6 s ILE 20 CO 0.38 -0.60 0.81 1.62 -0.10 0.00 0.00 174.94 177.05 1ha6 h VAL 21 N 5.88 1.35 -3.94 2.92 3.04 -1.81 -3.48 116.25 120.22 1ha6 h VAL 21 Ca -0.25 -2.52 -0.12 0.00 -1.01 0.00 0.00 66.70 62.80 1ha6 h VAL 21 Cb 1.09 3.05 -0.11 0.00 -2.01 0.00 0.00 31.29 33.32 1ha6 h VAL 21 CO 0.92 0.72 -0.27 -0.83 -1.01 0.00 0.00 177.57 177.10 1ha6 s GLY 22 N -4.60 0.84 -0.08 3.17 0.00 -0.58 -5.01 107.32 101.05 1ha6 s GLY 22 Ca -0.15 -1.14 -0.32 0.00 0.00 0.00 0.00 44.72 43.10 1ha6 s GLY 22 CO 0.83 -0.87 1.41 -0.11 0.00 0.00 0.00 173.10 174.36 1ha6 s PHE 23 N -4.03 -0.01 0.22 1.90 -0.71 -1.26 0.23 117.98 114.33 1ha6 s PHE 23 Ca 0.28 -0.01 -0.11 0.00 -1.04 0.00 0.00 56.93 56.04 1ha6 s PHE 23 Cb 0.02 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.33 1ha6 s PHE 23 CO 0.10 -0.07 0.40 0.99 -1.34 0.00 0.00 175.22 175.31 1ha6 s THR 24 N -2.11 0.02 -0.06 -4.49 2.01 0.97 -4.94 115.64 107.04 1ha6 s THR 24 Ca 0.15 -1.42 -0.14 0.00 0.31 0.00 0.00 61.69 60.59 1ha6 s THR 24 Cb 0.07 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1ha6 s THR 24 CO -0.06 -0.07 0.36 -0.13 -0.69 0.00 0.00 174.62 174.02 1ha6 s ARG 25 N -4.01 3.97 -0.16 4.92 1.81 -1.26 -0.89 118.95 123.33 1ha6 s ARG 25 Ca 0.22 0.28 0.01 0.00 -1.72 0.00 0.00 55.73 54.53 1ha6 s ARG 25 Cb 0.01 -3.28 0.01 0.00 -0.45 0.00 0.00 34.95 31.24 1ha6 s ARG 25 CO 0.07 0.55 -0.19 -1.14 -0.68 0.00 0.00 175.30 173.91 1ha6 s GLN 26 N -0.57 3.06 0.66 3.54 0.74 -0.31 -4.84 119.66 121.94 1ha6 s GLN 26 Ca 0.21 -0.82 -0.11 0.00 0.05 0.00 0.00 55.36 54.69 1ha6 s GLN 26 Cb -0.15 -2.54 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 1ha6 s GLN 26 CO 0.10 -0.09 1.06 -1.64 -0.55 0.00 0.00 175.29 174.17 1ha6 s MET 27 N 1.02 3.22 -0.51 1.67 -1.94 -1.26 -2.28 119.30 119.21 1ha6 s MET 27 Ca -0.02 0.66 -0.16 0.00 -1.71 0.00 0.00 55.69 54.47 1ha6 s MET 27 Cb -0.15 -2.04 0.10 0.00 2.01 0.00 0.00 34.83 34.75 1ha6 s MET 27 CO -0.06 -0.83 0.46 0.00 -0.01 0.00 0.00 175.02 174.59 1ha6 s ALA 28 N -3.23 3.59 0.01 3.03 0.00 -1.24 -4.52 121.76 119.40 1ha6 s ALA 28 Ca 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1ha6 s ALA 28 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1ha6 s ALA 28 CO 0.53 -1.89 0.00 -0.25 0.00 0.00 0.00 175.76 174.16 1ha6 n ASP 29 N 5.30 -0.10 -2.08 0.00 9.92 0.13 -4.82 116.55 124.89 1ha6 n ASP 29 Ca -0.13 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1ha6 n ASP 29 Cb 0.42 0.40 0.00 0.00 -0.64 0.00 0.00 41.12 41.30 1ha6 n ASP 29 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ha6 n GLU 30 N -2.65 2.52 0.02 -1.24 2.13 -1.26 -4.68 120.64 115.49 1ha6 n GLU 30 Ca 0.00 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.04 1ha6 n GLU 30 Cb 0.00 0.00 0.66 0.00 0.27 0.00 0.00 31.44 32.37 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 2.31 -3.03 4.31 0.00 -1.89 -3.36 119.26 115.61 1ha6 h ALA 31 Ca 0.00 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 1ha6 h ALA 31 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1ha6 h ALA 31 CO 0.00 -0.94 -0.51 0.00 0.00 0.00 0.00 179.25 177.80 1ha6 n ASP 33 N 2.80 2.11 -4.41 0.00 4.64 -1.26 0.18 116.55 120.61 1ha6 n ASP 33 Ca -0.18 -1.58 -0.20 0.00 -1.38 0.00 0.00 54.79 51.45 1ha6 n ASP 33 Cb 0.53 0.16 -0.10 0.00 -1.04 0.00 0.00 41.12 40.67 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 -2.22 1.12 0.16 5.18 -4.36 -1.26 -4.57 121.20 115.24 1ha6 s ILE 34 Ca 0.27 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.34 1ha6 s ILE 34 Cb 0.20 -2.65 -0.07 0.00 1.25 0.00 0.00 42.46 41.19 1ha6 s ILE 34 CO 0.42 -0.10 1.05 0.54 0.24 0.00 0.00 174.94 177.09 1ha6 s ASN 35 N -3.42 7.36 0.06 4.36 2.20 -1.26 -3.64 114.94 120.60 1ha6 s ASN 35 Ca 0.34 1.98 -0.06 0.00 -0.94 0.00 0.00 52.86 54.19 1ha6 s ASN 35 Cb 0.08 -2.60 -0.02 0.00 -2.00 0.00 0.00 41.25 36.71 1ha6 s ASN 35 CO 0.14 -0.15 0.10 0.00 -2.94 0.00 0.00 177.10 174.24 1ha6 s ALA 36 N -0.19 0.03 -0.38 3.54 0.00 -0.97 -4.06 121.76 119.73 1ha6 s ALA 36 Ca 0.48 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 1ha6 s ALA 36 Cb -0.27 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.28 1ha6 s ALA 36 CO 0.33 -0.42 0.18 0.42 0.00 0.00 0.00 175.76 176.27 1ha6 s ILE 37 N -3.56 3.77 -0.87 0.00 -1.09 0.16 -1.16 121.20 118.43 1ha6 s ILE 37 Ca 0.03 -1.46 -0.23 0.00 -2.23 0.00 0.00 60.65 56.76 1ha6 s ILE 37 Cb 0.04 -3.30 -0.14 0.00 -1.58 0.00 0.00 42.46 37.48 1ha6 s ILE 37 CO -0.09 -0.41 1.92 -0.38 -1.23 0.00 0.00 174.94 174.74 1ha6 n ILE 38 N 4.79 1.80 -1.27 2.92 5.41 -0.07 -1.20 119.36 131.74 1ha6 n ILE 38 Ca -0.09 -1.67 -0.34 0.00 1.00 0.00 0.00 62.75 61.64 1ha6 n ILE 38 Cb 0.43 -2.26 0.11 0.00 -0.71 0.00 0.00 39.64 37.21 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 6.93 1.85 -0.40 1.39 0.08 0.21 -0.02 117.98 128.03 1ha6 s PHE 39 Ca 0.61 1.62 0.10 0.00 0.12 0.00 0.00 56.93 59.39 1ha6 s PHE 39 Cb 0.10 -3.55 0.34 0.00 -0.57 0.00 0.00 43.02 39.33 1ha6 s PHE 39 CO 0.13 -2.91 0.85 0.72 -0.10 0.00 0.00 175.22 173.92 1ha6 n HIS 40 N -2.94 -0.81 -0.57 0.36 8.25 0.14 0.06 115.22 119.70 1ha6 n HIS 40 Ca 0.14 -3.27 -0.28 0.00 -0.26 0.00 0.00 57.72 54.05 1ha6 n HIS 40 Cb 0.50 0.25 0.18 0.00 1.12 0.00 0.00 29.99 32.04 1ha6 n HIS 40 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ha6 n THR 41 N 0.32 0.00 1.23 1.59 -2.24 -1.21 -1.52 114.28 112.44 1ha6 n THR 41 Ca 0.19 -0.20 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1ha6 n THR 41 Cb 0.67 -0.63 0.37 0.00 -2.10 0.00 0.00 70.33 68.64 1ha6 n THR 41 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ha6 n LYS 42 N -2.54 0.81 -2.33 -0.78 2.85 -0.98 -4.13 118.16 111.05 1ha6 n LYS 42 Ca 0.03 -0.48 0.01 0.00 -1.05 0.00 0.00 58.31 56.82 1ha6 n LYS 42 Cb 0.54 -1.49 0.04 0.00 -0.65 0.00 0.00 35.03 33.47 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 -0.67 1.10 -3.64 -1.58 4.81 -1.26 -5.06 118.16 111.86 1ha6 n LYS 43 Ca 0.12 -2.71 -0.02 0.00 -0.87 0.00 0.00 58.31 54.84 1ha6 n LYS 43 Cb 0.35 -0.82 -0.06 0.00 0.02 0.00 0.00 35.03 34.51 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 -2.10 0.33 1.19 1.64 0.52 -1.26 -5.17 118.95 114.10 1ha6 s ARG 44 Ca 0.26 0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 55.86 1ha6 s ARG 44 Cb 0.34 0.07 0.29 0.00 0.52 0.00 0.00 34.95 36.18 1ha6 s ARG 44 CO -0.08 -0.07 0.66 1.63 0.02 0.00 0.00 175.30 177.46 1ha6 n LYS 45 N 3.66 -3.71 -1.48 3.54 5.02 -1.26 -3.34 118.16 120.59 1ha6 n LYS 45 Ca -0.18 -1.12 -0.56 0.00 -2.02 0.00 0.00 58.31 54.43 1ha6 n LYS 45 Cb 0.57 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 1ha6 n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ha6 n SER 46 N -4.43 1.74 -4.81 4.39 2.88 -1.25 -4.57 113.62 107.57 1ha6 n SER 46 Ca 0.11 0.72 -0.34 0.00 -1.33 0.00 0.00 58.87 58.02 1ha6 n SER 46 Cb 0.46 -1.10 -0.07 0.00 -0.75 0.00 0.00 64.21 62.75 1ha6 n SER 46 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ha6 s VAL 47 N 5.63 4.99 -0.30 2.46 1.01 0.11 -4.83 120.40 129.46 1ha6 s VAL 47 Ca 1.09 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 1ha6 s VAL 47 Cb -1.15 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 32.05 1ha6 s VAL 47 CO 0.61 0.46 0.01 0.00 0.00 0.00 0.00 175.10 176.18 1ha6 s ALA 49 N 1.28 1.92 0.21 0.00 0.00 -0.34 0.60 121.76 125.43 1ha6 s ALA 49 Ca -0.05 -1.03 -0.32 0.00 0.00 0.00 0.00 51.96 50.56 1ha6 s ALA 49 Cb -0.20 -1.15 -0.13 0.00 0.00 0.00 0.00 23.12 21.64 1ha6 s ALA 49 CO -0.01 -0.57 1.59 -3.47 0.00 0.00 0.00 175.76 173.31 1ha6 n ASP 50 N 4.73 3.42 -3.20 0.00 4.64 -1.26 0.35 116.55 125.23 1ha6 n ASP 50 Ca -0.16 1.10 -0.26 0.00 -1.38 0.00 0.00 54.79 54.08 1ha6 n ASP 50 Cb 0.49 -1.50 -0.02 0.00 -1.04 0.00 0.00 41.12 39.05 1ha6 n ASP 50 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1ha6 n PRO 51 N 3.07 2.52 -0.14 -0.67 -0.04 -1.26 -3.65 135.00 134.84 1ha6 n PRO 51 Ca 0.14 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1ha6 n PRO 51 Cb 0.32 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1ha6 n PRO 51 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ha6 n LYS 52 N 4.02 0.11 -3.85 0.54 -0.00 -1.26 -4.93 118.16 112.79 1ha6 n LYS 52 Ca 0.54 -0.69 -0.23 0.00 -0.00 0.00 0.00 58.31 57.92 1ha6 n LYS 52 Cb 0.16 -0.53 -0.04 0.00 -0.00 0.00 0.00 35.03 34.62 1ha6 n LYS 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1ha6 s GLN 53 N -0.06 2.36 -0.00 -1.58 -0.21 -1.24 -5.03 119.66 113.89 1ha6 s GLN 53 Ca 0.00 -1.76 -0.06 0.00 0.02 0.00 0.00 55.36 53.57 1ha6 s GLN 53 Cb 0.00 -2.16 -0.29 0.00 1.00 0.00 0.00 33.01 31.56 1ha6 s GLN 53 CO 0.00 -0.25 0.84 -2.95 -2.12 0.00 0.00 175.29 170.81 1ha6 h ASN 54 N 1.13 0.49 -0.11 5.90 7.08 -1.97 -2.28 115.58 125.82 1ha6 h ASN 54 Ca -0.41 -0.67 -0.09 0.00 -3.08 0.00 0.00 56.30 52.06 1ha6 h ASN 54 Cb 1.27 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 1ha6 h ASN 54 CO 0.62 1.55 -0.27 4.11 -2.08 0.00 0.00 177.43 181.37 1ha6 h TRP 55 N 0.09 0.49 0.68 4.14 5.08 -1.97 -0.22 115.95 124.24 1ha6 h TRP 55 Ca -0.26 -0.19 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 1ha6 h TRP 55 Cb 2.05 -0.09 0.01 0.00 -3.00 0.00 0.00 29.16 28.13 1ha6 h TRP 55 CO 0.08 0.89 -0.34 0.28 -1.28 0.00 0.00 178.44 178.06 1ha6 h VAL 56 N -0.05 0.00 -0.93 0.12 2.07 -1.91 -0.56 116.25 114.99 1ha6 h VAL 56 Ca -0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 1ha6 h VAL 56 Cb 0.87 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1ha6 h VAL 56 CO 0.06 0.00 0.61 0.07 0.02 0.00 0.00 177.57 178.33 1ha6 h LYS 57 N -0.93 0.48 -0.37 1.57 2.10 -1.44 0.37 116.57 118.35 1ha6 h LYS 57 Ca -0.09 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.52 1ha6 h LYS 57 Cb 0.72 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 1ha6 h LYS 57 CO 0.14 0.32 0.18 0.00 -2.00 0.00 0.00 179.45 178.10 1ha6 h ARG 58 N 0.50 0.53 -0.16 0.07 3.08 -0.62 0.89 114.38 118.67 1ha6 h ARG 58 Ca 0.50 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.43 1ha6 h ARG 58 Cb 1.11 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1ha6 h ARG 58 CO -0.23 0.46 -0.09 0.00 -1.07 0.00 0.00 179.97 179.05 1ha6 h ALA 59 N 1.04 0.22 0.00 0.04 0.00 0.62 -2.50 119.26 118.68 1ha6 h ALA 59 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ha6 h ALA 59 Cb 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ha6 h ALA 59 CO -0.02 0.05 -0.12 0.28 0.00 0.00 0.00 179.25 179.44 1ha6 h VAL 60 N 0.01 1.03 0.75 0.00 2.07 -0.22 -2.59 116.25 117.29 1ha6 h VAL 60 Ca 0.03 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1ha6 h VAL 60 Cb 0.57 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1ha6 h VAL 60 CO 0.03 0.12 -0.36 -1.13 0.02 0.00 0.00 177.57 176.25 1ha6 h ASN 61 N 0.00 -0.85 -0.85 0.57 -0.73 0.12 0.80 115.58 114.64 1ha6 h ASN 61 Ca -0.00 0.01 0.19 0.00 1.87 0.00 0.00 56.30 58.37 1ha6 h ASN 61 Cb 0.23 0.22 -0.06 0.00 0.27 0.00 0.00 38.32 38.98 1ha6 h ASN 61 CO 0.02 -0.53 0.57 -0.07 -0.37 0.00 0.00 177.43 177.05 1ha6 h LEU 62 N -1.15 0.37 -0.46 0.34 4.07 -1.21 0.23 115.31 117.49 1ha6 h LEU 62 Ca -0.10 0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.75 1ha6 h LEU 62 Cb 0.79 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1ha6 h LEU 62 CO 0.17 0.16 -0.24 0.25 -1.08 0.00 0.00 178.44 177.70 1ha6 h LEU 63 N 0.37 1.00 -1.31 1.67 6.46 -1.04 -1.88 115.31 120.60 1ha6 h LEU 63 Ca 0.43 -0.41 0.14 0.00 -0.12 0.00 0.00 57.88 57.92 1ha6 h LEU 63 Cb 1.11 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.69 1ha6 h LEU 63 CO -0.14 1.19 0.57 -1.28 -0.62 0.00 0.00 178.44 178.15 1ha6 h SER 64 N 0.82 0.64 1.13 1.25 0.87 0.40 0.96 113.55 119.62 1ha6 h SER 64 Ca 0.10 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1ha6 h SER 64 Cb 0.82 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1ha6 h SER 64 CO 0.07 0.33 -0.92 -0.07 -0.53 0.00 0.00 176.83 175.72 1ha6 h LEU 65 N 0.68 0.00 0.10 2.23 3.38 -1.40 -3.12 115.31 117.18 1ha6 h LEU 65 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1ha6 h LEU 65 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ha6 h LEU 65 CO -0.20 0.58 -0.05 -0.09 0.09 0.00 0.00 178.44 178.78 1ha6 h ARG 66 N 0.00 -0.13 -1.08 1.13 1.12 -0.04 -3.26 114.38 112.11 1ha6 h ARG 66 Ca -0.07 0.01 -0.20 0.00 -1.11 0.00 0.00 59.98 58.61 1ha6 h ARG 66 Cb 1.50 0.03 -0.11 0.00 -0.01 0.00 0.00 29.97 31.38 1ha6 h ARG 66 CO 0.06 0.37 0.25 1.55 -3.11 0.00 0.00 179.97 179.10 1ha6 n VAL 67 N -4.87 1.90 -3.18 0.20 3.14 0.31 -4.54 118.33 111.29 1ha6 n VAL 67 Ca -0.08 -0.78 0.02 0.00 -2.96 0.00 0.00 64.34 60.53 1ha6 n VAL 67 Cb 0.28 -0.88 -0.01 0.00 -1.06 0.00 0.00 33.84 32.18 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 -1.23 0.60 0.54 1.45 2.47 -1.18 -4.97 119.74 117.43 1ha6 s LYS 68 Ca 0.21 0.30 -0.20 0.00 -1.56 0.00 0.00 55.97 54.72 1ha6 s LYS 68 Cb 0.18 0.14 -0.07 0.00 -1.46 0.00 0.00 37.83 36.61 1ha6 s LYS 68 CO 0.03 -1.08 0.91 1.17 0.16 0.00 0.00 175.35 176.54 1ha6 n LYS 69 N 5.17 0.98 0.00 4.03 0.00 -1.26 -4.65 118.16 122.43 1ha6 n LYS 69 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 58.31 58.74 1ha6 n LYS 69 Cb 0.54 -2.05 0.00 0.00 0.00 0.00 0.00 35.03 33.52 1ha6 n LYS 69 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28