#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 -3.93 0.00 2.88 -1.26 -5.18 113.62 106.13 1ha6 n SER 2 Ca 0.00 -0.30 -0.27 0.00 -1.33 0.00 0.00 58.87 56.97 1ha6 n SER 2 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 1ha6 n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ha6 n ASN 3 N -0.85 0.32 -4.07 -3.46 5.15 -1.26 -4.92 115.26 106.16 1ha6 n ASN 3 Ca 0.00 -1.57 -0.57 0.00 -0.60 0.00 0.00 54.58 51.83 1ha6 n ASN 3 Cb 0.00 -0.91 -0.11 0.00 -0.53 0.00 0.00 39.78 38.23 1ha6 n ASN 3 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ha6 n TYR 4 N -3.58 1.12 -2.28 1.20 4.01 -1.26 -4.84 117.16 111.53 1ha6 n TYR 4 Ca 0.16 0.74 -0.27 0.00 -0.16 0.00 0.00 57.90 58.37 1ha6 n TYR 4 Cb 0.55 -2.19 0.01 0.00 -0.31 0.00 0.00 39.34 37.41 1ha6 n TYR 4 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1ha6 n ASP 5 N 7.12 5.07 0.00 7.72 2.03 -1.26 -4.31 116.55 132.92 1ha6 n ASP 5 Ca 0.52 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1ha6 n ASP 5 Cb -0.04 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 -0.19 -3.65 0.00 4.77 -1.26 -4.57 117.00 112.11 1ha6 n LEU 8 Ca 0.03 1.66 -0.03 0.00 -0.03 0.00 0.00 56.01 57.64 1ha6 n LEU 8 Cb 0.13 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 1ha6 n LEU 8 CO 0.09 -1.66 1.02 -0.94 -1.33 0.00 0.00 177.39 174.57 1ha6 s SER 9 N -5.08 -0.16 1.16 -1.43 1.04 -1.26 -5.06 113.70 102.91 1ha6 s SER 9 Ca -0.13 0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.45 1ha6 s SER 9 Cb 0.28 0.49 0.25 0.00 0.10 0.00 0.00 66.02 67.14 1ha6 s SER 9 CO 0.76 -0.05 0.83 0.00 0.98 0.00 0.00 173.24 175.76 1ha6 n TYR 10 N 2.12 -1.25 -2.24 5.02 9.36 -1.26 -3.66 117.16 125.25 1ha6 n TYR 10 Ca -0.13 -0.09 -0.32 0.00 3.32 0.00 0.00 57.90 60.68 1ha6 n TYR 10 Cb 0.57 -1.68 -0.04 0.00 -0.63 0.00 0.00 39.34 37.55 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 -2.38 3.66 0.62 2.97 1.10 0.13 -4.63 121.20 122.67 1ha6 s ILE 11 Ca 0.66 -0.74 0.39 0.00 -0.51 0.00 0.00 60.65 60.45 1ha6 s ILE 11 Cb -0.23 -4.52 0.39 0.00 0.15 0.00 0.00 42.46 38.25 1ha6 s ILE 11 CO 0.65 -1.33 2.18 1.56 -2.11 0.00 0.00 174.94 175.89 1ha6 h GLN 12 N 10.21 0.00 -2.12 3.50 4.20 -1.89 -3.37 115.11 125.63 1ha6 h GLN 12 Ca 0.18 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.64 1ha6 h GLN 12 Cb 0.98 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.44 1ha6 h GLN 12 CO 1.30 0.00 -0.57 0.99 -0.67 0.00 0.00 178.83 179.88 1ha6 s THR 13 N -4.09 -0.47 0.27 -0.54 2.01 -1.26 -5.15 115.64 106.41 1ha6 s THR 13 Ca -0.04 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 1ha6 s THR 13 Cb 0.11 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.68 1ha6 s THR 13 CO 0.35 -0.26 1.36 -2.16 -0.69 0.00 0.00 174.62 173.22 1ha6 s PRO 14 N 2.43 4.33 0.14 4.92 0.04 -1.26 -5.05 135.00 140.55 1ha6 s PRO 14 Ca 0.10 2.21 0.07 0.00 0.04 0.00 0.00 61.00 63.42 1ha6 s PRO 14 Cb -0.15 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1ha6 s PRO 14 CO -0.21 -0.29 -0.15 -0.48 0.04 0.00 0.00 177.00 175.91 1ha6 s LEU 15 N -0.93 2.42 0.61 -3.56 2.34 -1.26 -5.14 118.68 113.16 1ha6 s LEU 15 Ca 0.54 -0.84 -0.18 0.00 0.06 0.00 0.00 54.13 53.72 1ha6 s LEU 15 Cb -0.40 -0.63 -0.02 0.00 -0.56 0.00 0.00 46.19 44.58 1ha6 s LEU 15 CO 0.46 -0.12 1.16 -2.16 -1.06 0.00 0.00 176.35 174.63 1ha6 s PRO 16 N -2.78 2.94 0.46 1.48 0.04 -1.26 -4.89 135.00 130.98 1ha6 s PRO 16 Ca 0.12 1.64 0.22 0.00 0.04 0.00 0.00 61.00 63.01 1ha6 s PRO 16 Cb -0.05 -1.95 1.20 0.00 0.04 0.00 0.00 34.50 33.74 1ha6 s PRO 16 CO 0.04 -1.19 1.63 0.66 0.04 0.00 0.00 177.00 178.18 1ha6 h SER 17 N 0.61 0.00 -0.02 6.66 4.64 -1.92 0.99 113.55 124.50 1ha6 h SER 17 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1ha6 h SER 17 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ha6 h SER 17 CO 0.55 0.00 0.03 -0.09 -0.87 0.00 0.00 176.83 176.45 1ha6 h ARG 18 N 0.00 0.00 -0.14 4.77 1.12 -2.01 0.13 114.38 118.26 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ha6 h ARG 18 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1ha6 h ARG 18 CO 0.00 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 176.86 1ha6 n ALA 19 N -2.26 2.45 -3.01 2.80 0.00 0.34 -4.90 120.51 115.94 1ha6 n ALA 19 Ca -0.02 -0.78 -0.37 0.00 0.00 0.00 0.00 53.44 52.27 1ha6 n ALA 19 Cb 0.12 -0.78 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.73 4.41 -0.26 0.00 1.09 0.46 -3.40 121.20 121.77 1ha6 s ILE 20 Ca 0.30 -0.14 -0.04 0.00 -1.10 0.00 0.00 60.65 59.67 1ha6 s ILE 20 Cb 0.20 -3.07 -0.15 0.00 -1.06 0.00 0.00 42.46 38.38 1ha6 s ILE 20 CO 0.29 0.34 -0.27 1.33 -0.10 0.00 0.00 174.94 176.52 1ha6 n VAL 21 N 4.88 1.46 -3.90 2.92 0.24 -1.09 -4.95 118.33 117.90 1ha6 n VAL 21 Ca -0.16 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.54 1ha6 n VAL 21 Cb 0.51 -1.57 -0.12 0.00 -1.47 0.00 0.00 33.84 31.20 1ha6 n VAL 21 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ha6 s GLY 22 N -6.10 0.06 0.28 7.63 0.00 -0.96 -5.05 107.32 103.19 1ha6 s GLY 22 Ca -0.35 -0.13 -0.19 0.00 0.00 0.00 0.00 44.72 44.04 1ha6 s GLY 22 CO 0.54 -0.19 0.69 -0.11 0.00 0.00 0.00 173.10 174.04 1ha6 s PHE 23 N -0.68 -0.09 0.15 1.90 -0.71 -1.26 0.27 117.98 117.56 1ha6 s PHE 23 Ca -0.08 -0.37 -0.09 0.00 -1.04 0.00 0.00 56.93 55.36 1ha6 s PHE 23 Cb -0.05 0.65 -0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1ha6 s PHE 23 CO -0.00 -1.23 0.27 0.99 -1.34 0.00 0.00 175.22 173.91 1ha6 s THR 24 N -3.81 0.07 0.15 -4.49 2.01 0.13 -4.99 115.64 104.71 1ha6 s THR 24 Ca 0.13 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.63 1ha6 s THR 24 Cb -0.05 -1.78 -0.07 0.00 0.01 0.00 0.00 72.50 70.61 1ha6 s THR 24 CO 0.08 -0.34 0.54 -0.13 -0.69 0.00 0.00 174.62 174.08 1ha6 s ARG 25 N -3.96 3.95 -0.19 4.92 1.81 -1.26 -1.14 118.95 123.09 1ha6 s ARG 25 Ca 0.16 0.45 -0.02 0.00 -1.72 0.00 0.00 55.73 54.60 1ha6 s ARG 25 Cb 0.04 -2.91 0.06 0.00 -0.45 0.00 0.00 34.95 31.68 1ha6 s ARG 25 CO -0.01 0.47 0.02 -1.14 -0.68 0.00 0.00 175.30 173.96 1ha6 s GLN 26 N -2.02 0.80 0.73 3.54 0.74 -0.12 -4.82 119.66 118.51 1ha6 s GLN 26 Ca 0.38 -0.45 -0.11 0.00 0.05 0.00 0.00 55.36 55.24 1ha6 s GLN 26 Cb -0.15 -2.07 0.03 0.00 1.10 0.00 0.00 33.01 31.92 1ha6 s GLN 26 CO 0.19 -0.60 1.07 -1.64 -0.55 0.00 0.00 175.29 173.77 1ha6 s MET 27 N 1.80 2.63 -0.67 1.67 -1.94 -1.26 -1.28 119.30 120.26 1ha6 s MET 27 Ca -0.01 0.96 -0.18 0.00 -1.71 0.00 0.00 55.69 54.75 1ha6 s MET 27 Cb -0.17 -1.96 0.12 0.00 2.01 0.00 0.00 34.83 34.84 1ha6 s MET 27 CO -0.08 -1.32 0.78 0.00 -0.01 0.00 0.00 175.02 174.39 1ha6 s ALA 28 N -3.02 3.47 0.00 3.03 0.00 -1.25 -4.35 121.76 119.65 1ha6 s ALA 28 Ca 0.59 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1ha6 s ALA 28 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1ha6 s ALA 28 CO 0.55 -2.44 0.00 -0.25 0.00 0.00 0.00 175.76 173.62 1ha6 n ASP 29 N 6.14 0.00 -1.62 0.00 8.00 0.82 -4.84 116.55 125.04 1ha6 n ASP 29 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1ha6 n ASP 29 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 2.63 0.19 -1.24 2.13 -1.26 -4.71 120.64 118.38 1ha6 n GLU 30 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1ha6 n GLU 30 Cb 0.00 0.00 0.75 0.00 0.27 0.00 0.00 31.44 32.46 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 1.82 -3.09 4.31 0.00 -1.95 -3.38 119.26 114.97 1ha6 h ALA 31 Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1ha6 h ALA 31 Cb 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 1ha6 h ALA 31 CO 0.00 -0.56 -0.57 0.00 0.00 0.00 0.00 179.25 178.12 1ha6 n ASP 33 N 2.05 1.62 -4.50 0.00 -0.08 -1.26 -0.13 116.55 114.25 1ha6 n ASP 33 Ca -0.19 -1.27 -0.24 0.00 -1.51 0.00 0.00 54.79 51.59 1ha6 n ASP 33 Cb 0.54 0.43 -0.11 0.00 2.34 0.00 0.00 41.12 44.32 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 -2.55 1.49 0.08 5.18 -4.36 -1.26 -4.51 121.20 115.26 1ha6 s ILE 34 Ca 0.19 -2.01 -0.30 0.00 -0.26 0.00 0.00 60.65 58.27 1ha6 s ILE 34 Cb 0.18 -2.84 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1ha6 s ILE 34 CO 0.59 -0.02 1.00 0.20 0.24 0.00 0.00 174.94 176.94 1ha6 s ASN 35 N -3.56 7.41 0.04 4.36 -0.87 -1.26 -3.81 114.94 117.25 1ha6 s ASN 35 Ca 0.36 1.79 -0.02 0.00 -1.57 0.00 0.00 52.86 53.42 1ha6 s ASN 35 Cb 0.09 -2.58 -0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1ha6 s ASN 35 CO 0.16 -0.17 0.01 0.00 -2.57 0.00 0.00 177.10 174.53 1ha6 s ALA 36 N 0.38 0.25 -0.30 0.60 0.00 -0.41 -4.05 121.76 118.23 1ha6 s ALA 36 Ca 0.50 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1ha6 s ALA 36 Cb -0.24 0.25 0.07 0.00 0.00 0.00 0.00 23.12 23.21 1ha6 s ALA 36 CO 0.30 -0.32 -0.02 0.42 0.00 0.00 0.00 175.76 176.14 1ha6 s ILE 37 N -3.06 2.49 -0.77 0.00 -1.09 0.18 -0.95 121.20 118.00 1ha6 s ILE 37 Ca -0.01 -1.79 -0.25 0.00 -2.23 0.00 0.00 60.65 56.36 1ha6 s ILE 37 Cb 0.02 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1ha6 s ILE 37 CO -0.07 -0.25 1.90 -0.63 -1.23 0.00 0.00 174.94 174.67 1ha6 s ILE 38 N 1.09 3.41 0.18 2.92 1.09 -0.29 -1.07 121.20 128.53 1ha6 s ILE 38 Ca -0.02 -0.11 -0.13 0.00 -1.10 0.00 0.00 60.65 59.30 1ha6 s ILE 38 Cb -0.20 -3.98 -0.07 0.00 -1.06 0.00 0.00 42.46 37.15 1ha6 s ILE 38 CO -0.05 -0.94 0.55 -0.36 -0.10 0.00 0.00 174.94 174.04 1ha6 s PHE 39 N 9.58 3.54 -0.43 3.97 0.08 0.17 0.18 117.98 135.07 1ha6 s PHE 39 Ca 0.68 0.99 0.02 0.00 0.12 0.00 0.00 56.93 58.75 1ha6 s PHE 39 Cb -0.09 -2.33 0.15 0.00 -0.57 0.00 0.00 43.02 40.18 1ha6 s PHE 39 CO 0.09 0.37 0.29 -1.01 -0.10 0.00 0.00 175.22 174.86 1ha6 s HIS 40 N -1.59 1.51 0.17 0.36 3.76 0.14 0.35 115.29 119.99 1ha6 s HIS 40 Ca 0.41 -2.27 -0.03 0.00 -0.15 0.00 0.00 55.06 53.03 1ha6 s HIS 40 Cb -0.14 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.21 1ha6 s HIS 40 CO 0.20 -0.78 0.13 0.25 -0.85 0.00 0.00 174.74 173.69 1ha6 n THR 41 N 3.29 0.00 0.37 1.30 -2.24 -1.13 -2.27 114.28 113.60 1ha6 n THR 41 Ca 0.18 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 1ha6 n THR 41 Cb 0.40 -0.71 0.03 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.13 0.42 -2.77 -0.78 2.85 -1.22 -4.44 118.16 110.09 1ha6 n LYS 42 Ca 0.02 0.04 -0.03 0.00 -1.05 0.00 0.00 58.31 57.29 1ha6 n LYS 42 Cb 0.08 -1.68 0.06 0.00 -0.65 0.00 0.00 35.03 32.83 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 -2.25 1.52 -3.56 -1.58 0.00 -1.26 -5.06 118.16 105.97 1ha6 n LYS 43 Ca 0.01 -3.14 -0.00 0.00 0.00 0.00 0.00 58.31 55.18 1ha6 n LYS 43 Cb 0.48 -1.24 -0.06 0.00 0.00 0.00 0.00 35.03 34.22 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 -3.06 0.30 1.21 1.64 3.52 -1.26 -5.17 118.95 116.12 1ha6 s ARG 44 Ca 0.25 0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 56.23 1ha6 s ARG 44 Cb 0.37 0.17 0.31 0.00 -1.56 0.00 0.00 34.95 34.25 1ha6 s ARG 44 CO -0.03 -0.07 0.74 1.17 -0.81 0.00 0.00 175.30 176.30 1ha6 n LYS 45 N 4.03 -4.29 -1.66 5.12 4.81 -1.26 -2.85 118.16 122.05 1ha6 n LYS 45 Ca -0.15 -1.24 -0.61 0.00 -0.87 0.00 0.00 58.31 55.44 1ha6 n LYS 45 Cb 0.56 -1.56 -0.09 0.00 0.02 0.00 0.00 35.03 33.96 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 -5.30 1.77 -4.57 3.14 3.41 -1.25 -4.55 113.62 106.27 1ha6 n SER 46 Ca 0.12 1.03 -0.34 0.00 -0.26 0.00 0.00 58.87 59.42 1ha6 n SER 46 Cb 0.50 -1.03 -0.11 0.00 -0.26 0.00 0.00 64.21 63.31 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 3.86 4.33 -0.46 -3.33 1.01 0.15 -4.88 120.40 121.09 1ha6 s VAL 47 Ca 1.04 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.68 1ha6 s VAL 47 Cb -1.26 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 32.28 1ha6 s VAL 47 CO 0.71 0.49 0.35 0.00 0.00 0.00 0.00 175.10 176.64 1ha6 s ALA 49 N 1.56 2.59 0.08 0.00 0.00 -0.23 0.21 121.76 125.97 1ha6 s ALA 49 Ca 0.04 -1.45 -0.33 0.00 0.00 0.00 0.00 51.96 50.21 1ha6 s ALA 49 Cb -0.24 -1.55 -0.12 0.00 0.00 0.00 0.00 23.12 21.20 1ha6 s ALA 49 CO 0.05 -0.77 1.76 -3.47 0.00 0.00 0.00 175.76 173.33 1ha6 n ASP 50 N 4.62 3.55 -2.53 0.00 4.64 -1.26 0.49 116.55 126.06 1ha6 n ASP 50 Ca -0.17 1.02 -0.11 0.00 -1.38 0.00 0.00 54.79 54.14 1ha6 n ASP 50 Cb 0.47 -1.46 -0.07 0.00 -1.04 0.00 0.00 41.12 39.02 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 5.08 1.41 0.00 -0.67 -0.04 -1.26 -3.40 135.00 136.13 1ha6 n PRO 51 Ca 0.19 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1ha6 n PRO 51 Cb 0.32 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 3.21 -0.41 -3.16 0.54 -0.00 -1.26 -4.81 118.16 112.27 1ha6 n LYS 52 Ca 0.30 -0.42 -0.20 0.00 -0.00 0.00 0.00 58.31 57.99 1ha6 n LYS 52 Cb 0.39 -0.83 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 -0.07 2.38 -0.01 -1.58 -0.21 -1.22 -4.99 119.66 113.96 1ha6 s GLN 53 Ca 0.00 -1.63 -0.12 0.00 0.02 0.00 0.00 55.36 53.63 1ha6 s GLN 53 Cb 0.00 -2.58 -0.32 0.00 1.00 0.00 0.00 33.01 31.10 1ha6 s GLN 53 CO 0.00 -0.73 0.81 -2.95 -2.12 0.00 0.00 175.29 170.31 1ha6 h ASN 54 N 0.34 0.68 -0.13 5.90 7.08 -1.97 -1.81 115.58 125.66 1ha6 h ASN 54 Ca -0.32 -0.88 -0.18 0.00 -3.08 0.00 0.00 56.30 51.84 1ha6 h ASN 54 Cb 1.29 -0.22 0.01 0.00 -2.08 0.00 0.00 38.32 37.31 1ha6 h ASN 54 CO 0.44 1.72 -0.61 4.11 -2.08 0.00 0.00 177.43 181.01 1ha6 h TRP 55 N 0.12 0.87 0.53 4.14 5.08 -1.97 0.23 115.95 124.95 1ha6 h TRP 55 Ca -0.30 -0.38 -0.03 0.00 1.08 0.00 0.00 58.89 59.26 1ha6 h TRP 55 Cb 2.12 -0.14 0.01 0.00 -3.00 0.00 0.00 29.16 28.15 1ha6 h TRP 55 CO 0.11 1.18 -0.25 0.28 -1.28 0.00 0.00 178.44 178.48 1ha6 h VAL 56 N 0.32 0.43 -0.89 0.12 2.07 -1.89 -0.27 116.25 116.13 1ha6 h VAL 56 Ca -0.04 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1ha6 h VAL 56 Cb 1.25 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1ha6 h VAL 56 CO 0.13 0.04 0.58 0.07 0.02 0.00 0.00 177.57 178.41 1ha6 h LYS 57 N -0.88 1.11 -0.54 1.57 2.10 -1.31 0.65 116.57 119.27 1ha6 h LYS 57 Ca -0.07 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.52 1ha6 h LYS 57 Cb 0.61 -0.25 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 1ha6 h LYS 57 CO 0.12 0.73 0.35 0.00 -2.00 0.00 0.00 179.45 178.65 1ha6 h ARG 58 N 1.14 0.68 -0.32 0.07 2.47 -0.34 0.87 114.38 118.96 1ha6 h ARG 58 Ca 0.35 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.96 1ha6 h ARG 58 Cb -0.03 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 1ha6 h ARG 58 CO -0.11 0.45 -0.08 0.00 0.56 0.00 0.00 179.97 180.80 1ha6 h ALA 59 N 1.21 0.44 0.00 0.04 0.00 -0.55 -2.16 119.26 118.23 1ha6 h ALA 59 Ca 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ha6 h ALA 59 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ha6 h ALA 59 CO -0.06 0.27 -0.12 0.28 0.00 0.00 0.00 179.25 179.63 1ha6 h VAL 60 N 0.39 1.05 0.29 0.00 2.07 -0.42 -2.14 116.25 117.48 1ha6 h VAL 60 Ca 0.08 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1ha6 h VAL 60 Cb 0.57 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1ha6 h VAL 60 CO 0.03 0.12 -0.14 -1.13 0.02 0.00 0.00 177.57 176.47 1ha6 h ASN 61 N 0.00 -0.33 -0.32 0.57 -0.73 0.14 0.75 115.58 115.66 1ha6 h ASN 61 Ca -0.00 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.05 1ha6 h ASN 61 Cb 0.22 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 1ha6 h ASN 61 CO 0.02 -0.07 0.21 -0.07 -0.37 0.00 0.00 177.43 177.15 1ha6 h LEU 62 N -0.58 0.37 -0.71 0.34 -0.00 -1.06 0.85 115.31 114.52 1ha6 h LEU 62 Ca -0.04 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.70 1ha6 h LEU 62 Cb 0.42 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1ha6 h LEU 62 CO 0.06 0.27 -0.49 0.25 -0.00 0.00 0.00 178.44 178.54 1ha6 h LEU 63 N 0.44 0.41 -1.39 1.67 6.46 -1.10 -1.61 115.31 120.19 1ha6 h LEU 63 Ca 0.12 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1ha6 h LEU 63 Cb -0.05 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 1ha6 h LEU 63 CO -0.03 0.84 0.01 -1.28 -0.62 0.00 0.00 178.44 177.37 1ha6 h SER 64 N 0.30 0.38 0.97 1.25 0.87 0.30 0.89 113.55 118.52 1ha6 h SER 64 Ca 0.01 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ha6 h SER 64 Cb 0.97 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1ha6 h SER 64 CO 0.08 0.44 -0.98 0.18 -0.53 0.00 0.00 176.83 176.02 1ha6 n LEU 65 N -4.33 0.83 -0.07 2.23 4.77 -0.99 -3.52 117.00 115.93 1ha6 n LEU 65 Ca 0.01 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1ha6 n LEU 65 Cb 0.21 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1ha6 n LEU 65 CO 0.38 -0.17 -0.00 -0.09 -1.33 0.00 0.00 177.39 176.17 1ha6 h ARG 66 N 0.00 0.00 -0.96 3.23 9.65 -0.24 -3.36 114.38 122.70 1ha6 h ARG 66 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 1ha6 h ARG 66 Cb 0.98 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.48 1ha6 h ARG 66 CO 0.00 0.68 0.17 1.55 2.80 0.00 0.00 179.97 185.17 1ha6 n VAL 67 N -4.60 1.57 -3.03 0.20 3.14 0.30 -4.37 118.33 111.54 1ha6 n VAL 67 Ca -0.13 -0.63 -0.01 0.00 -2.96 0.00 0.00 64.34 60.61 1ha6 n VAL 67 Cb 0.41 -0.71 -0.00 0.00 -1.06 0.00 0.00 33.84 32.47 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 -1.28 0.92 1.05 1.45 2.20 -1.23 -4.97 119.74 117.89 1ha6 s LYS 68 Ca 0.20 -0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 1ha6 s LYS 68 Cb 0.16 0.02 0.04 0.00 -1.51 0.00 0.00 37.83 36.54 1ha6 s LYS 68 CO 0.04 -1.25 -0.08 1.63 -0.36 0.00 0.00 175.35 175.34 1ha6 n LYS 69 N 3.82 -0.95 0.00 4.03 5.02 -1.26 -4.58 118.16 124.24 1ha6 n LYS 69 Ca 0.14 -0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.25 1ha6 n LYS 69 Cb 0.56 -1.63 0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1ha6 n LYS 69 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76