#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 -2.61 -3.65 0.00 2.88 -1.26 -5.05 113.62 103.93 1ha6 n SER 2 Ca 0.00 0.04 -0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ha6 n SER 2 Cb 0.00 -0.97 -0.06 0.00 -0.75 0.00 0.00 64.21 62.43 1ha6 n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ha6 s ASN 3 N -1.75 -0.07 1.13 -3.46 3.84 -1.26 -5.17 114.94 108.20 1ha6 s ASN 3 Ca 0.53 0.11 -0.14 0.00 0.21 0.00 0.00 52.86 53.57 1ha6 s ASN 3 Cb -0.13 0.61 0.22 0.00 -0.55 0.00 0.00 41.25 41.41 1ha6 s ASN 3 CO 0.68 -0.02 0.51 0.00 -2.79 0.00 0.00 177.10 175.48 1ha6 n TYR 4 N 2.41 -2.80 -2.73 0.43 9.36 -1.26 -5.03 117.16 117.53 1ha6 n TYR 4 Ca -0.14 -0.34 -0.09 0.00 3.32 0.00 0.00 57.90 60.65 1ha6 n TYR 4 Cb 0.57 -1.01 0.08 0.00 -0.63 0.00 0.00 39.34 38.35 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 -3.30 -2.43 0.00 2.98 2.03 -1.26 -4.95 116.55 109.62 1ha6 n ASP 5 Ca 0.08 -3.65 0.00 0.00 0.52 0.00 0.00 54.79 51.74 1ha6 n ASP 5 Cb 0.35 1.92 0.00 0.00 -0.72 0.00 0.00 41.12 42.68 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 -1.11 -0.48 -3.56 0.00 4.32 -1.26 -4.57 117.00 110.34 1ha6 n LEU 8 Ca 0.04 1.68 -0.16 0.00 -0.02 0.00 0.00 56.01 57.55 1ha6 n LEU 8 Cb 0.58 -0.45 -0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1ha6 n LEU 8 CO 0.51 -1.56 0.47 -0.55 -1.22 0.00 0.00 177.39 175.04 1ha6 s SER 9 N -5.30 -0.65 0.80 -1.43 0.15 -1.26 -5.05 113.70 100.96 1ha6 s SER 9 Ca -0.14 0.89 -0.17 0.00 0.70 0.00 0.00 55.95 57.24 1ha6 s SER 9 Cb 0.23 0.78 -0.14 0.00 -1.71 0.00 0.00 66.02 65.18 1ha6 s SER 9 CO 0.73 -0.48 -0.55 0.00 1.20 0.00 0.00 173.24 174.14 1ha6 n TYR 10 N 1.41 -4.27 -1.52 3.44 4.19 -1.26 -4.61 117.16 114.53 1ha6 n TYR 10 Ca -0.17 0.13 -0.39 0.00 3.31 0.00 0.00 57.90 60.78 1ha6 n TYR 10 Cb 0.57 -1.46 -0.08 0.00 0.49 0.00 0.00 39.34 38.85 1ha6 n TYR 10 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1ha6 n ILE 11 N -2.07 -0.03 0.72 2.97 2.08 0.59 -4.75 119.36 118.86 1ha6 n ILE 11 Ca 0.01 -0.45 0.10 0.00 0.56 0.00 0.00 62.75 62.97 1ha6 n ILE 11 Cb 0.51 -1.83 0.44 0.00 -0.75 0.00 0.00 39.64 38.02 1ha6 n ILE 11 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ha6 n GLN 12 N 8.75 0.01 -3.22 0.38 10.64 -1.26 -4.52 117.38 128.14 1ha6 n GLN 12 Ca 0.49 0.14 -0.02 0.00 -1.83 0.00 0.00 57.00 55.78 1ha6 n GLN 12 Cb 0.32 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.18 1ha6 n GLN 12 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1ha6 s THR 13 N -2.99 -0.85 -0.51 -0.39 2.01 -1.26 -5.12 115.64 106.52 1ha6 s THR 13 Ca 0.10 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 1ha6 s THR 13 Cb 0.14 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1ha6 s THR 13 CO 0.38 -0.12 1.63 -2.16 -0.69 0.00 0.00 174.62 173.65 1ha6 s PRO 14 N 2.28 3.15 0.07 4.92 0.04 -1.26 -5.01 135.00 139.18 1ha6 s PRO 14 Ca 0.13 0.77 0.01 0.00 0.04 0.00 0.00 61.00 61.95 1ha6 s PRO 14 Cb -0.09 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 1ha6 s PRO 14 CO -0.18 -2.11 0.16 -0.48 0.04 0.00 0.00 177.00 174.43 1ha6 s LEU 15 N 7.04 4.14 0.93 -3.56 0.05 -1.26 -5.10 118.68 120.91 1ha6 s LEU 15 Ca 0.64 0.16 -0.12 0.00 0.05 0.00 0.00 54.13 54.86 1ha6 s LEU 15 Cb -0.14 -2.77 0.15 0.00 -2.05 0.00 0.00 46.19 41.38 1ha6 s LEU 15 CO 0.26 0.17 1.09 -2.16 -0.55 0.00 0.00 176.35 175.16 1ha6 s PRO 16 N -2.48 0.99 0.43 1.48 0.04 -1.26 -4.87 135.00 129.33 1ha6 s PRO 16 Ca 0.33 0.82 0.26 0.00 0.04 0.00 0.00 61.00 62.44 1ha6 s PRO 16 Cb -0.13 -1.78 1.39 0.00 0.04 0.00 0.00 34.50 34.03 1ha6 s PRO 16 CO 0.26 -2.42 1.77 0.66 0.04 0.00 0.00 177.00 177.30 1ha6 h SER 17 N -1.68 0.00 0.29 6.66 4.64 -1.94 -0.05 113.55 121.47 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 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ha6 h SER 17 CO 0.54 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.53 1ha6 h ARG 18 N 0.00 0.00 0.00 4.77 2.47 -1.99 0.08 114.38 119.71 1ha6 h ARG 18 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ha6 h ARG 18 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1ha6 h ARG 18 CO 0.00 0.00 -0.04 0.00 0.56 0.00 0.00 179.97 180.49 1ha6 n ALA 19 N -1.92 2.31 -3.46 0.04 0.00 -0.03 -4.99 120.51 112.46 1ha6 n ALA 19 Ca -0.01 -2.60 -0.36 0.00 0.00 0.00 0.00 53.44 50.47 1ha6 n ALA 19 Cb 0.12 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.79 3.40 -0.15 0.00 1.01 0.01 -3.80 121.20 118.89 1ha6 s ILE 20 Ca 0.31 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 1ha6 s ILE 20 Cb 0.27 -2.73 -0.25 0.00 0.01 0.00 0.00 42.46 39.77 1ha6 s ILE 20 CO 0.02 0.16 0.64 1.62 0.00 0.00 0.00 174.94 177.38 1ha6 h VAL 21 N 5.99 1.54 -2.67 2.92 3.04 -1.81 -3.48 116.25 121.77 1ha6 h VAL 21 Ca -0.33 -2.33 -0.11 0.00 -1.01 0.00 0.00 66.70 62.92 1ha6 h VAL 21 Cb 1.12 3.08 -0.24 0.00 -2.01 0.00 0.00 31.29 33.24 1ha6 h VAL 21 CO 0.59 0.55 -0.19 -0.83 -1.01 0.00 0.00 177.57 176.68 1ha6 s GLY 22 N -4.42 -0.33 0.22 3.17 0.00 -0.94 -5.03 107.32 99.99 1ha6 s GLY 22 Ca -0.21 1.23 -0.10 0.00 0.00 0.00 0.00 44.72 45.64 1ha6 s GLY 22 CO 0.68 1.05 0.36 -0.11 0.00 0.00 0.00 173.10 175.09 1ha6 s PHE 23 N 0.17 0.50 0.25 1.90 -0.71 -1.26 0.59 117.98 119.43 1ha6 s PHE 23 Ca -0.01 -0.84 -0.05 0.00 -1.04 0.00 0.00 56.93 55.00 1ha6 s PHE 23 Cb -0.03 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1ha6 s PHE 23 CO 0.01 -0.85 0.33 0.99 -1.34 0.00 0.00 175.22 174.35 1ha6 s THR 24 N -4.03 0.00 -0.19 -4.49 2.01 0.11 -4.95 115.64 104.10 1ha6 s THR 24 Ca 0.24 -1.72 -0.11 0.00 0.31 0.00 0.00 61.69 60.41 1ha6 s THR 24 Cb 0.02 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1ha6 s THR 24 CO 0.07 0.00 0.16 -0.13 -0.69 0.00 0.00 174.62 174.03 1ha6 s ARG 25 N -3.85 4.20 -0.54 4.92 0.52 -1.26 -1.28 118.95 121.66 1ha6 s ARG 25 Ca 0.32 -0.15 -0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1ha6 s ARG 25 Cb 0.03 -3.42 0.14 0.00 0.52 0.00 0.00 34.95 32.22 1ha6 s ARG 25 CO 0.14 0.29 0.32 -1.14 0.02 0.00 0.00 175.30 174.93 1ha6 s GLN 26 N 0.37 2.22 0.77 3.54 0.74 -0.57 -4.88 119.66 121.84 1ha6 s GLN 26 Ca 0.10 -2.39 -0.13 0.00 0.05 0.00 0.00 55.36 52.98 1ha6 s GLN 26 Cb -0.11 -3.55 0.06 0.00 1.10 0.00 0.00 33.01 30.51 1ha6 s GLN 26 CO -0.01 -1.12 1.18 -1.64 -0.55 0.00 0.00 175.29 173.15 1ha6 s MET 27 N 0.15 1.95 -0.68 1.67 -1.94 -1.26 -1.88 119.30 117.30 1ha6 s MET 27 Ca 0.15 1.63 -0.17 0.00 -1.71 0.00 0.00 55.69 55.60 1ha6 s MET 27 Cb -0.22 -1.82 0.14 0.00 2.01 0.00 0.00 34.83 34.94 1ha6 s MET 27 CO -0.03 -1.95 0.72 0.00 -0.01 0.00 0.00 175.02 173.75 1ha6 s ALA 28 N -2.24 3.64 0.02 3.03 0.00 -1.23 -4.37 121.76 120.60 1ha6 s ALA 28 Ca 0.71 -2.65 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1ha6 s ALA 28 Cb -0.26 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1ha6 s ALA 28 CO 0.49 -2.33 0.00 -0.25 0.00 0.00 0.00 175.76 173.67 1ha6 n ASP 29 N 5.48 -0.14 -1.54 0.00 9.92 0.11 -4.83 116.55 125.54 1ha6 n ASP 29 Ca -0.01 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1ha6 n ASP 29 Cb 0.44 0.45 0.00 0.00 -0.64 0.00 0.00 41.12 41.37 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 -2.68 2.75 0.06 -1.24 2.13 -1.26 -4.70 120.64 115.69 1ha6 n GLU 30 Ca 0.00 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.03 1ha6 n GLU 30 Cb 0.00 0.00 0.70 0.00 0.27 0.00 0.00 31.44 32.41 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 2.21 -2.74 4.31 0.00 -2.01 -3.37 119.26 115.66 1ha6 h ALA 31 Ca 0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1ha6 h ALA 31 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1ha6 h ALA 31 CO 0.00 -0.81 -0.47 0.00 0.00 0.00 0.00 179.25 177.98 1ha6 n ASP 33 N 2.22 1.95 -4.51 0.00 -0.08 -1.26 0.04 116.55 114.91 1ha6 n ASP 33 Ca -0.19 -1.47 -0.24 0.00 -1.51 0.00 0.00 54.79 51.38 1ha6 n ASP 33 Cb 0.54 0.43 -0.11 0.00 2.34 0.00 0.00 41.12 44.33 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 -2.19 1.67 -0.23 5.18 -4.36 -1.26 -4.54 121.20 115.46 1ha6 s ILE 34 Ca 0.17 -2.05 -0.15 0.00 -0.26 0.00 0.00 60.65 58.36 1ha6 s ILE 34 Cb 0.16 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.08 1ha6 s ILE 34 CO 0.48 -0.10 0.37 0.20 0.24 0.00 0.00 174.94 176.12 1ha6 s ASN 35 N -3.56 6.34 0.02 4.36 -0.87 -1.26 -3.55 114.94 116.43 1ha6 s ASN 35 Ca 0.34 0.40 -0.05 0.00 -1.57 0.00 0.00 52.86 51.97 1ha6 s ASN 35 Cb 0.07 -2.21 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 1ha6 s ASN 35 CO 0.15 -0.10 0.08 0.00 -2.57 0.00 0.00 177.10 174.66 1ha6 s ALA 36 N 1.55 -0.09 -0.37 0.60 0.00 -0.79 -3.91 121.76 118.75 1ha6 s ALA 36 Ca 0.16 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 1ha6 s ALA 36 Cb -0.15 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1ha6 s ALA 36 CO 0.08 -0.26 0.43 0.42 0.00 0.00 0.00 175.76 176.44 1ha6 s ILE 37 N -2.07 5.10 -1.29 0.00 -1.09 0.16 -1.52 121.20 120.49 1ha6 s ILE 37 Ca -0.10 -0.01 -0.17 0.00 -2.23 0.00 0.00 60.65 58.14 1ha6 s ILE 37 Cb -0.04 -3.94 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1ha6 s ILE 37 CO -0.02 -0.25 2.00 -0.38 -1.23 0.00 0.00 174.94 175.06 1ha6 n ILE 38 N 5.37 3.26 -1.32 2.92 5.41 -0.41 -1.61 119.36 132.98 1ha6 n ILE 38 Ca -0.07 -3.09 -0.31 0.00 1.00 0.00 0.00 62.75 60.28 1ha6 n ILE 38 Cb 0.49 -2.45 0.08 0.00 -0.71 0.00 0.00 39.64 37.05 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 4.49 2.68 -0.46 1.39 0.08 0.19 0.04 117.98 126.39 1ha6 s PHE 39 Ca 0.53 1.53 0.07 0.00 0.12 0.00 0.00 56.93 59.17 1ha6 s PHE 39 Cb 0.09 -3.02 0.25 0.00 -0.57 0.00 0.00 43.02 39.78 1ha6 s PHE 39 CO 0.01 -1.69 0.81 0.72 -0.10 0.00 0.00 175.22 174.97 1ha6 n HIS 40 N -3.45 -2.42 -0.44 0.36 8.25 0.20 0.51 115.22 118.22 1ha6 n HIS 40 Ca 0.09 -2.32 -0.28 0.00 -0.26 0.00 0.00 57.72 54.95 1ha6 n HIS 40 Cb 0.53 1.01 0.23 0.00 1.12 0.00 0.00 29.99 32.88 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 1.44 0.00 1.23 1.59 -2.24 -1.20 -2.20 114.28 112.90 1ha6 n THR 41 Ca 0.12 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1ha6 n THR 41 Cb 0.61 -0.81 0.35 0.00 -2.10 0.00 0.00 70.33 68.38 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 -4.00 0.84 -2.80 -0.78 4.81 -1.25 -4.10 118.16 110.89 1ha6 n LYS 42 Ca 0.06 -0.51 -0.00 0.00 -0.87 0.00 0.00 58.31 56.99 1ha6 n LYS 42 Cb 0.54 -1.49 0.05 0.00 0.02 0.00 0.00 35.03 34.16 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 -0.63 1.67 -3.64 1.64 0.00 -1.26 -5.05 118.16 110.90 1ha6 n LYS 43 Ca 0.12 -3.32 -0.00 0.00 0.00 0.00 0.00 58.31 55.10 1ha6 n LYS 43 Cb 0.35 -1.44 -0.06 0.00 0.00 0.00 0.00 35.03 33.88 1ha6 n LYS 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1ha6 s ARG 44 N -3.47 0.23 1.32 1.64 3.52 -1.26 -5.17 118.95 115.75 1ha6 s ARG 44 Ca 0.26 0.40 -0.22 0.00 -0.13 0.00 0.00 55.73 56.04 1ha6 s ARG 44 Cb 0.33 0.05 0.34 0.00 -1.56 0.00 0.00 34.95 34.11 1ha6 s ARG 44 CO -0.05 -0.05 0.77 1.63 -0.81 0.00 0.00 175.30 176.79 1ha6 n LYS 45 N 3.47 -4.52 -1.60 5.12 4.01 -1.26 -3.20 118.16 120.17 1ha6 n LYS 45 Ca -0.18 -1.29 -0.65 0.00 -0.51 0.00 0.00 58.31 55.68 1ha6 n LYS 45 Cb 0.57 -1.70 -0.10 0.00 -0.51 0.00 0.00 35.03 33.29 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ha6 n SER 46 N -5.42 1.08 -4.58 4.39 3.41 -1.26 -4.55 113.62 106.69 1ha6 n SER 46 Ca 0.12 1.05 -0.34 0.00 -0.26 0.00 0.00 58.87 59.44 1ha6 n SER 46 Cb 0.53 -0.87 -0.11 0.00 -0.26 0.00 0.00 64.21 63.50 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 3.64 4.15 -0.19 -3.33 1.01 0.18 -4.94 120.40 120.91 1ha6 s VAL 47 Ca 1.07 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 1ha6 s VAL 47 Cb -1.47 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1ha6 s VAL 47 CO 0.77 0.52 -0.16 0.00 0.00 0.00 0.00 175.10 176.24 1ha6 s ALA 49 N 1.33 0.79 0.19 0.00 0.00 -0.63 -0.30 121.76 123.13 1ha6 s ALA 49 Ca 0.05 -0.18 -0.33 0.00 0.00 0.00 0.00 51.96 51.50 1ha6 s ALA 49 Cb -0.14 -0.74 -0.14 0.00 0.00 0.00 0.00 23.12 22.11 1ha6 s ALA 49 CO -0.10 -0.41 1.47 -3.47 0.00 0.00 0.00 175.76 173.25 1ha6 n ASP 50 N 5.01 2.78 -2.37 0.00 2.03 -1.26 0.39 116.55 123.13 1ha6 n ASP 50 Ca -0.10 1.11 -0.11 0.00 0.52 0.00 0.00 54.79 56.21 1ha6 n ASP 50 Cb 0.50 -1.40 -0.09 0.00 -0.72 0.00 0.00 41.12 39.41 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 2.70 1.53 -0.05 -0.67 -0.04 -1.25 -3.67 135.00 133.55 1ha6 n PRO 51 Ca 0.15 -0.84 -0.05 0.00 -0.04 0.00 0.00 63.50 62.72 1ha6 n PRO 51 Cb 0.29 -1.96 -0.07 0.00 -0.04 0.00 0.00 33.50 31.72 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 2.94 2.22 -2.73 0.54 4.76 -1.26 -4.89 118.16 119.73 1ha6 n LYS 52 Ca 0.33 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.47 1ha6 n LYS 52 Cb 0.52 -1.22 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 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 -2.21 3.77 0.05 1.97 -0.21 -1.24 -4.98 119.66 116.81 1ha6 s GLN 53 Ca -0.06 0.52 -0.20 0.00 0.02 0.00 0.00 55.36 55.64 1ha6 s GLN 53 Cb 0.03 -2.34 -0.13 0.00 1.00 0.00 0.00 33.01 31.56 1ha6 s GLN 53 CO 0.34 -0.10 1.39 -2.95 -2.12 0.00 0.00 175.29 171.85 1ha6 h ASN 54 N 1.06 0.36 -0.83 5.90 -1.07 -1.95 -0.72 115.58 118.33 1ha6 h ASN 54 Ca -0.47 -0.43 0.18 0.00 0.07 0.00 0.00 56.30 55.65 1ha6 h ASN 54 Cb 1.19 -0.10 -0.11 0.00 -2.07 0.00 0.00 38.32 37.23 1ha6 h ASN 54 CO 0.63 0.72 0.34 4.11 0.07 0.00 0.00 177.43 183.30 1ha6 h TRP 55 N 0.01 0.57 0.61 4.14 5.08 -1.97 0.52 115.95 124.92 1ha6 h TRP 55 Ca 0.03 0.04 -0.03 0.00 1.08 0.00 0.00 58.89 60.01 1ha6 h TRP 55 Cb 0.59 -0.12 0.01 0.00 -3.00 0.00 0.00 29.16 26.63 1ha6 h TRP 55 CO 0.07 0.01 -0.29 0.28 -1.28 0.00 0.00 178.44 177.23 1ha6 h VAL 56 N 0.43 0.25 -0.90 0.12 2.07 -1.88 -2.59 116.25 113.74 1ha6 h VAL 56 Ca 0.48 -0.31 0.25 0.00 0.82 0.00 0.00 66.70 67.94 1ha6 h VAL 56 Cb 0.82 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1ha6 h VAL 56 CO -0.47 0.03 0.63 0.07 0.02 0.00 0.00 177.57 177.86 1ha6 h LYS 57 N -1.06 0.09 0.45 1.57 2.10 0.36 0.13 116.57 120.20 1ha6 h LYS 57 Ca -0.08 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 1ha6 h LYS 57 Cb 0.68 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1ha6 h LYS 57 CO 0.14 0.06 -0.22 -0.09 -2.00 0.00 0.00 179.45 177.34 1ha6 h ARG 58 N 0.09 -0.58 -0.92 0.07 2.43 0.21 0.79 114.38 116.46 1ha6 h ARG 58 Ca 0.44 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1ha6 h ARG 58 Cb 1.60 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 31.23 1ha6 h ARG 58 CO -0.05 -0.28 0.59 0.00 -1.51 0.00 0.00 179.97 178.72 1ha6 h ALA 59 N -0.52 1.17 -0.31 2.80 0.00 -0.93 -1.24 119.26 120.23 1ha6 h ALA 59 Ca -0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ha6 h ALA 59 Cb 0.57 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ha6 h ALA 59 CO 0.10 0.59 -0.20 0.28 0.00 0.00 0.00 179.25 180.03 1ha6 h VAL 60 N 1.26 1.26 0.25 0.00 2.07 -0.80 -2.77 116.25 117.51 1ha6 h VAL 60 Ca 0.33 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1ha6 h VAL 60 Cb -0.11 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1ha6 h VAL 60 CO -0.07 0.39 -0.29 -1.13 0.02 0.00 0.00 177.57 176.50 1ha6 h ASN 61 N 0.52 -0.78 -0.99 0.57 -0.73 0.18 0.82 115.58 115.17 1ha6 h ASN 61 Ca 0.08 0.08 0.07 0.00 1.87 0.00 0.00 56.30 58.40 1ha6 h ASN 61 Cb 0.63 0.27 -0.07 0.00 0.27 0.00 0.00 38.32 39.42 1ha6 h ASN 61 CO 0.04 -0.40 0.64 -0.07 -0.37 0.00 0.00 177.43 177.27 1ha6 h LEU 62 N -0.58 1.00 -1.15 0.34 -0.00 -1.34 1.00 115.31 114.58 1ha6 h LEU 62 Ca -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1ha6 h LEU 62 Cb 0.55 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 1ha6 h LEU 62 CO -0.08 0.62 0.19 0.25 -0.00 0.00 0.00 178.44 179.42 1ha6 h LEU 63 N 1.13 0.72 -1.07 1.67 6.46 -1.06 -1.98 115.31 121.18 1ha6 h LEU 63 Ca 0.44 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1ha6 h LEU 63 Cb 0.22 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 1ha6 h LEU 63 CO -0.19 0.67 0.63 -1.28 -0.62 0.00 0.00 178.44 177.64 1ha6 h SER 64 N 0.78 1.09 0.97 1.25 0.87 0.32 0.95 113.55 119.78 1ha6 h SER 64 Ca 0.18 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1ha6 h SER 64 Cb 0.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1ha6 h SER 64 CO -0.01 0.79 -0.43 -0.07 -0.53 0.00 0.00 176.83 176.58 1ha6 h LEU 65 N 1.29 0.00 0.07 2.23 3.38 -0.95 -0.28 115.31 121.05 1ha6 h LEU 65 Ca 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ha6 h LEU 65 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1ha6 h LEU 65 CO -0.07 0.43 -0.03 -0.09 0.09 0.00 0.00 178.44 178.76 1ha6 h ARG 66 N 0.00 -0.09 -0.92 1.13 2.43 -0.33 -3.12 114.38 113.47 1ha6 h ARG 66 Ca -0.00 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1ha6 h ARG 66 Cb 1.03 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.52 1ha6 h ARG 66 CO 0.06 -0.06 0.17 1.55 -1.51 0.00 0.00 179.97 180.18 1ha6 n VAL 67 N -4.16 1.69 0.00 0.20 3.14 0.31 -4.31 118.33 115.19 1ha6 n VAL 67 Ca -0.01 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.60 1ha6 n VAL 67 Cb 0.04 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 1ha6 n VAL 67 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ha6 n LYS 68 N -0.02 0.00 -3.51 1.45 5.02 -0.11 -4.94 118.16 116.03 1ha6 n LYS 68 Ca 0.21 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.16 1ha6 n LYS 68 Cb 0.89 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.84 1ha6 n LYS 68 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ha6 s LYS 69 N 0.00 3.79 0.00 1.97 2.20 -1.18 -3.87 119.74 122.66 1ha6 s LYS 69 Ca 0.00 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 1ha6 s LYS 69 Cb 0.00 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1ha6 s LYS 69 CO 0.00 0.48 0.55 0.00 -0.36 0.00 0.00 175.35 176.02