#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 -1.91 0.00 0.00 7.64 -1.26 -5.02 113.62 113.06 1ha6 n SER 2 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1ha6 n SER 2 Cb 0.00 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1ha6 n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ha6 n ASN 3 N 1.22 0.23 -3.94 6.43 6.94 -1.26 -5.03 115.26 119.84 1ha6 n ASN 3 Ca 0.10 0.00 -0.52 0.00 -0.02 0.00 0.00 54.58 54.15 1ha6 n ASN 3 Cb 0.47 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.82 1ha6 n ASN 3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ha6 n TYR 4 N 0.00 0.55 -1.03 -2.53 9.36 -1.26 -4.82 117.16 117.42 1ha6 n TYR 4 Ca 0.00 0.93 -0.14 0.00 3.32 0.00 0.00 57.90 62.00 1ha6 n TYR 4 Cb 0.00 -1.83 -0.09 0.00 -0.63 0.00 0.00 39.34 36.79 1ha6 n TYR 4 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1ha6 n ASP 5 N 1.32 5.70 0.00 2.98 5.68 -1.26 -4.74 116.55 126.23 1ha6 n ASP 5 Ca 0.17 -2.72 0.00 0.00 -0.50 0.00 0.00 54.79 51.75 1ha6 n ASP 5 Cb 0.07 -1.29 0.00 0.00 -1.14 0.00 0.00 41.12 38.76 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ha6 h LEU 8 N -1.41 0.12 -6.65 0.00 7.12 -1.98 -3.30 115.31 109.21 1ha6 h LEU 8 Ca -0.44 0.08 0.08 0.00 0.13 0.00 0.00 57.88 57.73 1ha6 h LEU 8 Cb 1.29 0.08 -0.21 0.00 -0.53 0.00 0.00 40.66 41.30 1ha6 h LEU 8 CO 0.37 -0.13 -0.19 -0.94 -0.13 0.00 0.00 178.44 177.42 1ha6 s SER 9 N -4.19 -1.20 1.07 1.25 1.04 -1.26 -5.11 113.70 105.29 1ha6 s SER 9 Ca -0.06 1.31 -0.20 0.00 0.48 0.00 0.00 55.95 57.48 1ha6 s SER 9 Cb 0.29 2.23 0.03 0.00 0.10 0.00 0.00 66.02 68.67 1ha6 s SER 9 CO 0.85 -0.23 -0.37 0.00 0.98 0.00 0.00 173.24 174.47 1ha6 n TYR 10 N 5.44 -1.49 -1.93 5.02 9.36 -1.25 -4.42 117.16 127.89 1ha6 n TYR 10 Ca -0.08 0.27 -0.24 0.00 3.32 0.00 0.00 57.90 61.17 1ha6 n TYR 10 Cb 0.50 -1.49 -0.07 0.00 -0.63 0.00 0.00 39.34 37.66 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 -2.15 3.37 0.62 2.97 1.10 0.06 -4.74 121.20 122.43 1ha6 s ILE 11 Ca 0.47 -0.48 0.33 0.00 -0.51 0.00 0.00 60.65 60.46 1ha6 s ILE 11 Cb -0.05 -4.09 0.37 0.00 0.15 0.00 0.00 42.46 38.85 1ha6 s ILE 11 CO 0.61 -0.72 2.16 0.06 -2.11 0.00 0.00 174.94 174.94 1ha6 h GLN 12 N 10.93 0.00 -2.45 3.50 3.07 -1.89 -3.35 115.11 124.92 1ha6 h GLN 12 Ca 0.12 0.00 -0.42 0.00 0.09 0.00 0.00 58.65 58.44 1ha6 h GLN 12 Cb 0.98 0.00 -0.36 0.00 0.08 0.00 0.00 27.48 28.18 1ha6 h GLN 12 CO 1.16 0.00 -0.70 0.99 0.09 0.00 0.00 178.83 180.37 1ha6 s THR 13 N -4.43 -0.25 -0.42 1.86 2.01 -1.26 -5.10 115.64 108.04 1ha6 s THR 13 Ca -0.05 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 1ha6 s THR 13 Cb 0.14 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1ha6 s THR 13 CO 0.47 -0.57 1.93 -2.16 -0.69 0.00 0.00 174.62 173.60 1ha6 s PRO 14 N 2.25 2.96 0.01 4.92 0.04 -1.26 -5.00 135.00 138.92 1ha6 s PRO 14 Ca 0.09 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1ha6 s PRO 14 Cb -0.15 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 1ha6 s PRO 14 CO -0.34 -2.31 0.16 -0.48 0.04 0.00 0.00 177.00 174.07 1ha6 s LEU 15 N 8.31 4.22 0.71 -3.56 2.34 -1.26 -5.09 118.68 124.35 1ha6 s LEU 15 Ca 0.80 0.26 -0.15 0.00 0.06 0.00 0.00 54.13 55.10 1ha6 s LEU 15 Cb -0.20 -2.59 0.03 0.00 -0.56 0.00 0.00 46.19 42.87 1ha6 s LEU 15 CO 0.29 0.24 1.19 -2.16 -1.06 0.00 0.00 176.35 174.85 1ha6 s PRO 16 N -2.03 2.32 0.48 1.48 0.04 -1.26 -4.88 135.00 131.15 1ha6 s PRO 16 Ca 0.28 1.69 0.28 0.00 0.04 0.00 0.00 61.00 63.29 1ha6 s PRO 16 Cb -0.13 -1.86 1.52 0.00 0.04 0.00 0.00 34.50 34.07 1ha6 s PRO 16 CO 0.20 -1.68 1.84 0.66 0.04 0.00 0.00 177.00 178.05 1ha6 h SER 17 N -0.16 0.00 0.03 6.66 4.64 -1.94 0.24 113.55 123.02 1ha6 h SER 17 Ca -0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ha6 h SER 17 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ha6 h SER 17 CO 0.51 0.00 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.38 1ha6 h ARG 18 N 0.00 0.00 -0.01 4.77 2.43 -1.99 0.83 114.38 120.40 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 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1ha6 h ARG 18 CO 0.00 0.00 -0.50 0.00 -1.51 0.00 0.00 179.97 177.96 1ha6 n ALA 19 N -2.15 3.62 -2.62 2.80 0.00 0.07 -4.93 120.51 117.31 1ha6 n ALA 19 Ca -0.03 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 1ha6 n ALA 19 Cb 0.08 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.52 5.10 -0.19 0.00 1.09 0.28 -3.18 121.20 121.78 1ha6 s ILE 20 Ca 0.18 0.79 -0.17 0.00 -1.10 0.00 0.00 60.65 60.36 1ha6 s ILE 20 Cb 0.18 -3.79 -0.20 0.00 -1.06 0.00 0.00 42.46 37.59 1ha6 s ILE 20 CO 0.59 0.11 0.19 0.55 -0.10 0.00 0.00 174.94 176.29 1ha6 n VAL 21 N 5.10 1.60 -3.71 2.92 3.14 -1.13 -4.95 118.33 121.29 1ha6 n VAL 21 Ca -0.05 -0.23 -0.12 0.00 -2.96 0.00 0.00 64.34 60.98 1ha6 n VAL 21 Cb 0.50 -1.94 -0.10 0.00 -1.06 0.00 0.00 33.84 31.24 1ha6 n VAL 21 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1ha6 s GLY 22 N -5.13 -0.35 0.19 7.55 0.00 -0.70 -5.03 107.32 103.85 1ha6 s GLY 22 Ca -0.28 1.44 -0.08 0.00 0.00 0.00 0.00 44.72 45.80 1ha6 s GLY 22 CO 0.63 1.39 0.28 -0.11 0.00 0.00 0.00 173.10 175.29 1ha6 s PHE 23 N 0.75 0.58 0.15 1.90 -0.71 -1.26 0.51 117.98 119.90 1ha6 s PHE 23 Ca -0.04 -0.92 -0.01 0.00 -1.04 0.00 0.00 56.93 54.92 1ha6 s PHE 23 Cb -0.05 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 1ha6 s PHE 23 CO -0.05 -0.76 0.07 0.99 -1.34 0.00 0.00 175.22 174.13 1ha6 s THR 24 N -4.03 0.13 0.09 -4.49 2.01 0.11 -4.99 115.64 104.47 1ha6 s THR 24 Ca 0.23 -1.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.23 1ha6 s THR 24 Cb 0.03 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1ha6 s THR 24 CO 0.05 -0.34 0.36 -0.13 -0.69 0.00 0.00 174.62 173.86 1ha6 s ARG 25 N -4.07 3.66 -0.32 4.92 0.52 -1.26 -1.29 118.95 121.11 1ha6 s ARG 25 Ca 0.28 -0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.47 1ha6 s ARG 25 Cb 0.07 -2.95 0.11 0.00 0.52 0.00 0.00 34.95 32.71 1ha6 s ARG 25 CO 0.05 0.54 0.15 -1.14 0.02 0.00 0.00 175.30 174.92 1ha6 s GLN 26 N -2.21 0.49 1.24 3.54 0.74 -0.13 -4.85 119.66 118.48 1ha6 s GLN 26 Ca 0.35 -0.98 -0.17 0.00 0.05 0.00 0.00 55.36 54.61 1ha6 s GLN 26 Cb -0.13 -1.49 0.30 0.00 1.10 0.00 0.00 33.01 32.79 1ha6 s GLN 26 CO 0.21 -1.07 1.02 0.00 -0.55 0.00 0.00 175.29 174.89 1ha6 s MET 27 N 1.58 -1.48 -0.50 1.67 0.23 -1.26 0.01 119.30 119.55 1ha6 s MET 27 Ca 0.12 0.37 -0.17 0.00 -1.03 0.00 0.00 55.69 54.98 1ha6 s MET 27 Cb -0.19 -1.53 0.07 0.00 -1.53 0.00 0.00 34.83 31.66 1ha6 s MET 27 CO -0.22 -3.98 0.53 0.00 -2.03 0.00 0.00 175.02 169.33 1ha6 s ALA 28 N -2.58 3.47 0.00 3.16 0.00 -1.25 -4.43 121.76 120.13 1ha6 s ALA 28 Ca 0.69 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1ha6 s ALA 28 Cb -0.17 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ha6 s ALA 28 CO 0.60 -1.92 0.00 -0.25 0.00 0.00 0.00 175.76 174.19 1ha6 n ASP 29 N 5.75 0.00 -2.02 0.00 9.92 0.14 -4.88 116.55 125.46 1ha6 n ASP 29 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1ha6 n ASP 29 Cb 0.44 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 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 0.00 2.62 0.31 -1.24 2.13 -1.26 -4.73 120.64 118.47 1ha6 n GLU 30 Ca 0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.98 1ha6 n GLU 30 Cb 0.00 0.00 0.84 0.00 0.27 0.00 0.00 31.44 32.55 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 1.39 -3.05 4.31 0.00 -2.00 -3.38 119.26 114.53 1ha6 h ALA 31 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1ha6 h ALA 31 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1ha6 h ALA 31 CO 0.00 -0.34 -0.56 0.00 0.00 0.00 0.00 179.25 178.35 1ha6 n ASP 33 N 1.77 1.65 -4.45 0.00 2.03 -1.26 -0.68 116.55 115.62 1ha6 n ASP 33 Ca -0.17 -1.28 -0.22 0.00 0.52 0.00 0.00 54.79 53.64 1ha6 n ASP 33 Cb 0.54 0.44 -0.11 0.00 -0.72 0.00 0.00 41.12 41.27 1ha6 n ASP 33 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1ha6 s ILE 34 N -2.55 1.41 0.24 5.18 -4.36 -1.26 -4.58 121.20 115.28 1ha6 s ILE 34 Ca 0.19 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.23 1ha6 s ILE 34 Cb 0.18 -2.64 -0.09 0.00 1.25 0.00 0.00 42.46 41.16 1ha6 s ILE 34 CO 0.59 -0.14 0.94 0.20 0.24 0.00 0.00 174.94 176.77 1ha6 s ASN 35 N -3.47 7.64 0.15 4.36 0.01 -1.26 -3.77 114.94 118.60 1ha6 s ASN 35 Ca 0.33 1.94 -0.13 0.00 -0.71 0.00 0.00 52.86 54.30 1ha6 s ASN 35 Cb 0.07 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.13 1ha6 s ASN 35 CO 0.14 0.16 0.35 0.00 -1.51 0.00 0.00 177.10 176.24 1ha6 s ALA 36 N -1.17 -0.50 -0.27 0.60 0.00 0.10 -4.03 121.76 116.48 1ha6 s ALA 36 Ca 0.41 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1ha6 s ALA 36 Cb -0.26 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.67 1ha6 s ALA 36 CO 0.32 -0.66 -0.04 0.42 0.00 0.00 0.00 175.76 175.80 1ha6 s ILE 37 N -3.88 1.90 -0.66 0.00 -1.09 0.14 -0.96 121.20 116.66 1ha6 s ILE 37 Ca 0.09 -1.64 -0.27 0.00 -2.23 0.00 0.00 60.65 56.60 1ha6 s ILE 37 Cb 0.02 -2.17 0.02 0.00 -1.58 0.00 0.00 42.46 38.75 1ha6 s ILE 37 CO -0.06 -0.22 1.41 -0.63 -1.23 0.00 0.00 174.94 174.22 1ha6 s ILE 38 N 1.18 3.69 0.03 2.92 1.09 -0.41 -1.35 121.20 128.35 1ha6 s ILE 38 Ca -0.02 0.47 -0.07 0.00 -1.10 0.00 0.00 60.65 59.93 1ha6 s ILE 38 Cb -0.19 -4.61 -0.05 0.00 -1.06 0.00 0.00 42.46 36.55 1ha6 s ILE 38 CO -0.07 -1.48 0.30 -0.36 -0.10 0.00 0.00 174.94 173.23 1ha6 s PHE 39 N 6.38 3.57 -0.45 3.97 0.08 0.19 0.04 117.98 131.76 1ha6 s PHE 39 Ca 0.46 0.61 0.06 0.00 0.12 0.00 0.00 56.93 58.18 1ha6 s PHE 39 Cb -0.09 -2.02 0.22 0.00 -0.57 0.00 0.00 43.02 40.55 1ha6 s PHE 39 CO 0.19 0.58 0.48 0.72 -0.10 0.00 0.00 175.22 177.10 1ha6 n HIS 40 N 1.00 0.17 -0.28 0.36 8.25 0.18 0.08 115.22 124.98 1ha6 n HIS 40 Ca -0.10 -3.60 -0.22 0.00 -0.26 0.00 0.00 57.72 53.54 1ha6 n HIS 40 Cb 0.53 -0.18 0.21 0.00 1.12 0.00 0.00 29.99 31.66 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 1.88 0.00 1.12 1.59 -2.24 -1.18 -1.72 114.28 113.74 1ha6 n THR 41 Ca 0.25 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1ha6 n THR 41 Cb 0.48 -0.79 0.21 0.00 -2.10 0.00 0.00 70.33 68.13 1ha6 n THR 41 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ha6 n LYS 42 N -4.62 0.78 -2.69 -0.78 4.81 -1.19 -4.32 118.16 110.13 1ha6 n LYS 42 Ca 0.10 -0.54 -0.01 0.00 -0.87 0.00 0.00 58.31 56.99 1ha6 n LYS 42 Cb 0.43 -1.49 0.07 0.00 0.02 0.00 0.00 35.03 34.07 1ha6 n LYS 42 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ha6 n LYS 43 N -0.64 1.51 -3.62 1.64 4.81 -1.26 -5.07 118.16 115.53 1ha6 n LYS 43 Ca 0.10 -2.67 -0.01 0.00 -0.87 0.00 0.00 58.31 54.86 1ha6 n LYS 43 Cb 0.38 -0.86 -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 0.50 1.17 0.00 0.00 177.40 179.07 1ha6 s ARG 44 N -2.33 0.29 1.03 1.64 3.52 -1.26 -5.18 118.95 116.66 1ha6 s ARG 44 Ca 0.21 0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 56.16 1ha6 s ARG 44 Cb 0.36 0.08 0.26 0.00 -1.56 0.00 0.00 34.95 34.09 1ha6 s ARG 44 CO -0.07 -0.06 0.59 0.36 -0.81 0.00 0.00 175.30 175.30 1ha6 n LYS 45 N 3.65 -3.76 -1.69 5.12 2.85 -1.26 -3.11 118.16 119.95 1ha6 n LYS 45 Ca -0.18 -0.99 -0.56 0.00 -1.05 0.00 0.00 58.31 55.53 1ha6 n LYS 45 Cb 0.57 -1.34 -0.07 0.00 -0.65 0.00 0.00 35.03 33.54 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 -4.64 2.49 -4.34 -5.58 3.41 -1.25 -4.55 113.62 99.17 1ha6 n SER 46 Ca 0.09 1.02 -0.35 0.00 -0.26 0.00 0.00 58.87 59.37 1ha6 n SER 46 Cb 0.41 -1.17 -0.14 0.00 -0.26 0.00 0.00 64.21 63.05 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 3.91 3.45 -0.40 -3.33 1.01 0.11 -4.90 120.40 120.26 1ha6 s VAL 47 Ca 0.99 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 1ha6 s VAL 47 Cb -1.02 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 32.84 1ha6 s VAL 47 CO 0.63 0.43 0.24 0.00 0.00 0.00 0.00 175.10 176.41 1ha6 s ALA 49 N 1.53 1.99 0.26 0.00 0.00 -0.46 -0.76 121.76 124.33 1ha6 s ALA 49 Ca 0.02 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1ha6 s ALA 49 Cb -0.21 -0.79 -0.10 0.00 0.00 0.00 0.00 23.12 22.03 1ha6 s ALA 49 CO 0.06 0.21 1.34 0.34 0.00 0.00 0.00 175.76 177.71 1ha6 s ASP 50 N 0.48 6.79 0.00 0.00 3.68 -1.26 0.29 116.67 126.65 1ha6 s ASP 50 Ca -0.16 2.58 -0.03 0.00 2.13 0.00 0.00 52.55 57.06 1ha6 s ASP 50 Cb -0.17 -2.63 -0.16 0.00 -1.45 0.00 0.00 42.92 38.51 1ha6 s ASP 50 CO 0.06 -0.57 2.36 -0.81 0.13 0.00 0.00 175.17 176.34 1ha6 n PRO 51 N 1.89 1.19 -0.00 4.34 -0.04 -1.26 -3.61 135.00 137.52 1ha6 n PRO 51 Ca 0.04 -0.58 0.06 0.00 -0.04 0.00 0.00 63.50 62.98 1ha6 n PRO 51 Cb 0.42 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.64 1.55 -3.25 0.54 5.02 -1.26 -4.89 118.16 118.52 1ha6 n LYS 52 Ca 0.25 -0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.29 1ha6 n LYS 52 Cb 0.55 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1ha6 n LYS 52 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ha6 s GLN 53 N -2.50 2.99 -0.10 1.97 1.11 -1.24 -5.05 119.66 116.84 1ha6 s GLN 53 Ca -0.01 -1.08 -0.27 0.00 0.01 0.00 0.00 55.36 54.02 1ha6 s GLN 53 Cb 0.08 -2.78 -0.26 0.00 -1.01 0.00 0.00 33.01 29.04 1ha6 s GLN 53 CO 0.47 -0.10 0.88 -2.95 0.01 0.00 0.00 175.29 173.60 1ha6 h ASN 54 N 0.75 0.11 -0.60 5.90 -1.07 -1.95 -2.07 115.58 116.66 1ha6 h ASN 54 Ca -0.43 -0.91 0.11 0.00 0.07 0.00 0.00 56.30 55.14 1ha6 h ASN 54 Cb 1.27 -0.03 -0.08 0.00 -2.07 0.00 0.00 38.32 37.40 1ha6 h ASN 54 CO 0.50 1.01 0.13 4.11 0.07 0.00 0.00 177.43 183.25 1ha6 h TRP 55 N -0.78 0.21 0.63 4.14 5.08 -1.97 0.49 115.95 123.75 1ha6 h TRP 55 Ca -0.03 0.04 -0.03 0.00 1.08 0.00 0.00 58.89 59.95 1ha6 h TRP 55 Cb 1.05 -0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.22 1ha6 h TRP 55 CO 0.23 -0.03 -0.30 0.28 -1.28 0.00 0.00 178.44 177.35 1ha6 h VAL 56 N 0.26 0.29 -0.46 0.12 2.07 -1.91 -1.83 116.25 114.79 1ha6 h VAL 56 Ca 0.31 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.73 1ha6 h VAL 56 Cb 0.46 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ha6 h VAL 56 CO -0.40 0.03 0.45 0.11 0.02 0.00 0.00 177.57 177.78 1ha6 h LYS 57 N -1.02 0.00 0.18 1.57 1.79 -0.75 0.16 116.57 118.50 1ha6 h LYS 57 Ca -0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1ha6 h LYS 57 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1ha6 h LYS 57 CO 0.14 0.00 -0.08 -0.09 -1.08 0.00 0.00 179.45 178.34 1ha6 h ARG 58 N 0.00 -0.23 -0.71 3.15 9.65 0.24 0.50 114.38 126.99 1ha6 h ARG 58 Ca 0.22 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.15 1ha6 h ARG 58 Cb 1.11 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.70 1ha6 h ARG 58 CO -0.00 0.18 0.44 0.00 2.80 0.00 0.00 179.97 183.39 1ha6 h ALA 59 N -0.35 0.94 -0.78 2.80 0.00 -0.43 -1.42 119.26 120.02 1ha6 h ALA 59 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1ha6 h ALA 59 Cb 0.52 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ha6 h ALA 59 CO 0.04 0.19 0.35 0.28 0.00 0.00 0.00 179.25 180.11 1ha6 h VAL 60 N 0.84 1.25 -0.21 0.00 2.07 -0.77 -2.68 116.25 116.75 1ha6 h VAL 60 Ca 0.30 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1ha6 h VAL 60 Cb 0.07 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 1ha6 h VAL 60 CO -0.13 0.31 -0.23 -1.13 0.02 0.00 0.00 177.57 176.41 1ha6 h ASN 61 N 1.12 -0.73 -0.56 0.57 -0.73 0.11 0.79 115.58 116.14 1ha6 h ASN 61 Ca 0.27 0.13 0.02 0.00 1.87 0.00 0.00 56.30 58.59 1ha6 h ASN 61 Cb 0.16 0.34 -0.04 0.00 0.27 0.00 0.00 38.32 39.06 1ha6 h ASN 61 CO -0.03 -0.27 0.35 -0.07 -0.37 0.00 0.00 177.43 177.04 1ha6 h LEU 62 N -0.25 0.57 -1.92 0.34 4.07 -1.33 -0.69 115.31 116.11 1ha6 h LEU 62 Ca 0.13 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.11 1ha6 h LEU 62 Cb 0.44 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1ha6 h LEU 62 CO -0.36 0.40 0.10 0.25 -1.08 0.00 0.00 178.44 177.75 1ha6 h LEU 63 N 0.69 0.10 -0.26 1.67 6.46 -0.98 -2.30 115.31 120.68 1ha6 h LEU 63 Ca 0.23 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1ha6 h LEU 63 Cb 0.01 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1ha6 h LEU 63 CO -0.09 0.07 -0.03 -1.28 -0.62 0.00 0.00 178.44 176.48 1ha6 h SER 64 N 0.11 0.48 0.43 1.25 0.87 0.21 0.99 113.55 117.90 1ha6 h SER 64 Ca 0.06 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1ha6 h SER 64 Cb 0.11 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1ha6 h SER 64 CO -0.01 0.71 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.80 1ha6 h LEU 65 N 0.25 0.00 0.00 2.23 3.38 -1.09 -1.32 115.31 118.76 1ha6 h LEU 65 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ha6 h LEU 65 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ha6 h LEU 65 CO 0.02 0.13 -0.31 -0.09 0.09 0.00 0.00 178.44 178.28 1ha6 h ARG 66 N 0.00 0.00 -1.43 1.13 1.12 -0.81 -3.39 114.38 111.00 1ha6 h ARG 66 Ca -0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 59.98 58.44 1ha6 h ARG 66 Cb 0.38 0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 30.16 1ha6 h ARG 66 CO 0.02 0.18 0.54 0.28 -3.11 0.00 0.00 179.97 177.87 1ha6 n VAL 67 N -4.67 3.04 -2.66 0.20 0.31 0.34 -4.22 118.33 110.66 1ha6 n VAL 67 Ca -0.06 -2.09 -0.03 0.00 -0.01 0.00 0.00 64.34 62.15 1ha6 n VAL 67 Cb 0.21 -1.31 0.03 0.00 -0.91 0.00 0.00 33.84 31.86 1ha6 n VAL 67 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ha6 s LYS 68 N -2.34 0.09 0.35 5.55 2.20 -0.51 -4.86 119.74 120.22 1ha6 s LYS 68 Ca 0.41 -0.09 -0.25 0.00 -0.36 0.00 0.00 55.97 55.69 1ha6 s LYS 68 Cb 0.32 -0.00 -0.14 0.00 -1.51 0.00 0.00 37.83 36.50 1ha6 s LYS 68 CO -0.03 -0.11 0.66 1.63 -0.36 0.00 0.00 175.35 177.14 1ha6 n LYS 69 N 2.65 0.67 0.00 4.03 5.02 -1.26 -4.39 118.16 124.88 1ha6 n LYS 69 Ca 0.10 0.24 0.09 0.00 -2.02 0.00 0.00 58.31 56.72 1ha6 n LYS 69 Cb 0.66 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.71 1ha6 n LYS 69 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76