#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 -3.16 0.00 2.88 -1.26 -5.18 113.62 106.91 1ha6 n SER 2 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1ha6 n SER 2 Cb 0.00 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 1ha6 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ha6 n ASN 3 N 0.00 -3.40 -4.80 -3.46 6.94 -1.26 -5.01 115.26 104.27 1ha6 n ASN 3 Ca 0.00 -0.63 -0.36 0.00 -0.02 0.00 0.00 54.58 53.56 1ha6 n ASN 3 Cb 0.00 -0.69 -0.06 0.00 -2.36 0.00 0.00 39.78 36.67 1ha6 n ASN 3 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1ha6 s TYR 4 N -1.80 3.67 -0.56 -2.53 1.51 -1.26 -5.02 117.35 111.36 1ha6 s TYR 4 Ca 0.46 1.51 0.07 0.00 -1.01 0.00 0.00 57.07 58.10 1ha6 s TYR 4 Cb -0.08 -2.71 0.29 0.00 -0.11 0.00 0.00 41.96 39.35 1ha6 s TYR 4 CO 0.39 0.30 0.78 -0.25 -1.11 0.00 0.00 175.55 175.66 1ha6 n ASP 5 N 0.70 3.18 0.00 2.29 9.92 -1.26 -4.73 116.55 126.64 1ha6 n ASP 5 Ca -0.01 -3.37 0.00 0.00 -0.53 0.00 0.00 54.79 50.88 1ha6 n ASP 5 Cb 0.51 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ha6 n LEU 8 N -0.61 0.17 0.00 0.00 -0.00 -1.26 -4.52 117.00 110.78 1ha6 n LEU 8 Ca 0.01 1.26 0.00 0.00 -0.00 0.00 0.00 56.01 57.29 1ha6 n LEU 8 Cb 0.62 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ha6 n LEU 8 CO 0.51 -1.36 0.00 -0.24 -0.00 0.00 0.00 177.39 176.29 1ha6 n SER 9 N -4.50 0.00 -4.01 1.45 2.88 -1.26 -5.08 113.62 103.10 1ha6 n SER 9 Ca 0.39 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.56 1ha6 n SER 9 Cb 1.56 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 65.04 1ha6 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ha6 n TYR 10 N -0.04 -3.49 -1.54 0.66 4.19 -1.26 -4.56 117.16 111.12 1ha6 n TYR 10 Ca 0.00 0.29 -0.18 0.00 3.31 0.00 0.00 57.90 61.32 1ha6 n TYR 10 Cb 0.00 -1.55 -0.10 0.00 0.49 0.00 0.00 39.34 38.18 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 -1.75 -0.01 0.32 2.97 0.13 0.84 -4.74 119.36 117.12 1ha6 n ILE 11 Ca 0.05 -0.51 0.20 0.00 -1.10 0.00 0.00 62.75 61.38 1ha6 n ILE 11 Cb 0.48 -1.58 1.07 0.00 -0.84 0.00 0.00 39.64 38.77 1ha6 n ILE 11 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1ha6 h GLN 12 N 12.92 0.00 -2.08 9.51 1.08 -1.88 -3.37 115.11 131.29 1ha6 h GLN 12 Ca -0.01 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.93 1ha6 h GLN 12 Cb 1.06 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.17 1ha6 h GLN 12 CO 1.17 0.00 -0.58 0.99 -0.95 0.00 0.00 178.83 179.46 1ha6 s THR 13 N -4.24 -0.48 -0.39 -0.54 2.01 -1.26 -5.12 115.64 105.62 1ha6 s THR 13 Ca -0.05 -0.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 1ha6 s THR 13 Cb 0.13 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1ha6 s THR 13 CO 0.41 -0.30 1.86 -2.16 -0.69 0.00 0.00 174.62 173.75 1ha6 s PRO 14 N 2.43 3.11 0.20 4.92 0.04 -1.26 -5.00 135.00 139.44 1ha6 s PRO 14 Ca 0.10 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 1ha6 s PRO 14 Cb -0.14 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.08 1ha6 s PRO 14 CO -0.24 -2.12 0.43 -0.48 0.04 0.00 0.00 177.00 174.63 1ha6 s LEU 15 N 7.69 4.20 0.69 -3.56 2.34 -1.26 -5.08 118.68 123.71 1ha6 s LEU 15 Ca 0.79 0.58 -0.14 0.00 0.06 0.00 0.00 54.13 55.42 1ha6 s LEU 15 Cb -0.21 -3.34 0.02 0.00 -0.56 0.00 0.00 46.19 42.10 1ha6 s LEU 15 CO 0.31 -0.04 1.11 -2.16 -1.06 0.00 0.00 176.35 174.51 1ha6 s PRO 16 N -3.07 2.61 0.00 1.48 0.04 -1.26 -4.87 135.00 129.94 1ha6 s PRO 16 Ca 0.41 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1ha6 s PRO 16 Cb -0.11 -1.93 0.33 0.00 0.04 0.00 0.00 34.50 32.83 1ha6 s PRO 16 CO 0.27 -1.39 1.18 -1.13 0.04 0.00 0.00 177.00 175.97 1ha6 n SER 17 N -2.74 0.00 0.00 6.66 3.41 -1.26 -1.57 113.62 118.12 1ha6 n SER 17 Ca 0.10 0.38 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 1ha6 n SER 17 Cb 0.52 -0.42 0.60 0.00 -0.26 0.00 0.00 64.21 64.65 1ha6 n SER 17 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ha6 n ARG 18 N -1.42 0.93 0.00 4.33 0.63 -1.26 -1.96 116.66 117.91 1ha6 n ARG 18 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1ha6 n ARG 18 Cb 0.07 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1ha6 n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ha6 n ALA 19 N -0.84 2.43 -2.52 5.13 0.00 -0.61 -5.02 120.51 119.08 1ha6 n ALA 19 Ca 0.15 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1ha6 n ALA 19 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.04 5.00 -0.09 0.00 1.09 -0.83 -3.39 121.20 122.96 1ha6 s ILE 20 Ca 0.00 0.02 -0.17 0.00 -1.10 0.00 0.00 60.65 59.40 1ha6 s ILE 20 Cb 0.00 -4.04 -0.28 0.00 -1.06 0.00 0.00 42.46 37.08 1ha6 s ILE 20 CO 0.00 -0.38 0.63 1.62 -0.10 0.00 0.00 174.94 176.71 1ha6 h VAL 21 N 5.72 1.12 -2.28 2.92 3.04 -1.82 -3.48 116.25 121.47 1ha6 h VAL 21 Ca -0.27 -2.44 -0.05 0.00 -1.01 0.00 0.00 66.70 62.94 1ha6 h VAL 21 Cb 1.11 2.81 -0.23 0.00 -2.01 0.00 0.00 31.29 32.97 1ha6 h VAL 21 CO 0.81 0.71 -0.09 -0.83 -1.01 0.00 0.00 177.57 177.16 1ha6 s GLY 22 N -4.86 -0.49 0.04 3.17 0.00 -0.79 -5.03 107.32 99.35 1ha6 s GLY 22 Ca -0.18 1.96 -0.04 0.00 0.00 0.00 0.00 44.72 46.45 1ha6 s GLY 22 CO 0.78 1.93 0.06 -0.11 0.00 0.00 0.00 173.10 175.76 1ha6 s PHE 23 N 1.22 0.28 0.35 1.90 -0.71 -1.26 0.42 117.98 120.17 1ha6 s PHE 23 Ca -0.07 -0.65 0.03 0.00 -1.04 0.00 0.00 56.93 55.20 1ha6 s PHE 23 Cb -0.06 -0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.50 1ha6 s PHE 23 CO -0.12 -0.36 0.09 0.99 -1.34 0.00 0.00 175.22 174.48 1ha6 s THR 24 N -2.85 0.86 -0.14 -4.49 2.01 0.11 -4.94 115.64 106.21 1ha6 s THR 24 Ca -0.03 -2.00 -0.06 0.00 0.31 0.00 0.00 61.69 59.91 1ha6 s THR 24 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1ha6 s THR 24 CO -0.06 0.00 0.06 -0.13 -0.69 0.00 0.00 174.62 173.81 1ha6 s ARG 25 N -3.84 3.55 -0.37 4.92 1.81 -1.26 -0.80 118.95 122.95 1ha6 s ARG 25 Ca 0.32 -0.31 0.02 0.00 -1.72 0.00 0.00 55.73 54.04 1ha6 s ARG 25 Cb 0.06 -3.08 0.11 0.00 -0.45 0.00 0.00 34.95 31.59 1ha6 s ARG 25 CO 0.15 0.53 0.12 -1.14 -0.68 0.00 0.00 175.30 174.28 1ha6 s GLN 26 N -0.36 1.31 0.77 3.54 0.74 -0.32 -4.86 119.66 120.47 1ha6 s GLN 26 Ca 0.09 -1.79 -0.11 0.00 0.05 0.00 0.00 55.36 53.60 1ha6 s GLN 26 Cb -0.12 -2.75 0.06 0.00 1.10 0.00 0.00 33.01 31.30 1ha6 s GLN 26 CO 0.02 -1.01 1.10 -1.64 -0.55 0.00 0.00 175.29 173.20 1ha6 s MET 27 N 0.83 2.25 -0.81 1.67 -1.94 -1.26 -1.29 119.30 118.75 1ha6 s MET 27 Ca 0.13 1.23 -0.17 0.00 -1.71 0.00 0.00 55.69 55.16 1ha6 s MET 27 Cb -0.20 -1.89 0.15 0.00 2.01 0.00 0.00 34.83 34.89 1ha6 s MET 27 CO -0.10 -1.66 0.90 0.00 -0.01 0.00 0.00 175.02 174.15 1ha6 s ALA 28 N -2.81 3.60 0.01 3.03 0.00 -1.23 -4.29 121.76 120.08 1ha6 s ALA 28 Ca 0.62 -2.79 0.00 0.00 0.00 0.00 0.00 51.96 49.79 1ha6 s ALA 28 Cb -0.18 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1ha6 s ALA 28 CO 0.54 -2.60 0.00 -0.25 0.00 0.00 0.00 175.76 173.46 1ha6 n ASP 29 N 5.69 -0.10 -1.78 0.00 9.92 0.87 -4.87 116.55 126.28 1ha6 n ASP 29 Ca 0.12 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 1ha6 n ASP 29 Cb 0.47 0.44 0.00 0.00 -0.64 0.00 0.00 41.12 41.39 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 -2.73 2.64 0.13 -1.24 2.13 -1.26 -4.72 120.64 115.59 1ha6 n GLU 30 Ca 0.00 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.01 1ha6 n GLU 30 Cb 0.00 0.00 0.71 0.00 0.27 0.00 0.00 31.44 32.42 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 2.00 -2.87 4.31 0.00 -2.01 -3.38 119.26 115.31 1ha6 h ALA 31 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 1ha6 h ALA 31 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 1ha6 h ALA 31 CO 0.00 -0.69 -0.53 0.00 0.00 0.00 0.00 179.25 178.03 1ha6 n ASP 33 N 2.04 1.61 -4.57 0.00 -0.08 -1.26 -0.09 116.55 114.19 1ha6 n ASP 33 Ca -0.20 -1.31 -0.27 0.00 -1.51 0.00 0.00 54.79 51.51 1ha6 n ASP 33 Cb 0.55 0.40 -0.11 0.00 2.34 0.00 0.00 41.12 44.30 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 -1.66 2.14 -0.12 5.18 -4.36 -1.26 -4.54 121.20 116.57 1ha6 s ILE 34 Ca 0.13 -2.12 -0.16 0.00 -0.26 0.00 0.00 60.65 58.24 1ha6 s ILE 34 Cb 0.12 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1ha6 s ILE 34 CO 0.33 -0.12 0.38 0.54 0.24 0.00 0.00 174.94 176.31 1ha6 s ASN 35 N -3.65 6.58 0.01 4.36 4.22 -1.26 -3.48 114.94 121.73 1ha6 s ASN 35 Ca 0.33 0.69 -0.23 0.00 -2.14 0.00 0.00 52.86 51.52 1ha6 s ASN 35 Cb 0.05 -2.23 0.05 0.00 1.28 0.00 0.00 41.25 40.40 1ha6 s ASN 35 CO 0.17 0.09 0.51 0.00 -2.04 0.00 0.00 177.10 175.83 1ha6 s ALA 36 N 0.33 -1.30 -0.34 3.54 0.00 -0.41 -4.08 121.76 119.50 1ha6 s ALA 36 Ca 0.21 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 1ha6 s ALA 36 Cb -0.14 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1ha6 s ALA 36 CO 0.08 -0.42 0.23 0.42 0.00 0.00 0.00 175.76 176.06 1ha6 s ILE 37 N -1.93 5.13 -1.35 0.00 -1.09 0.13 -1.18 121.20 120.91 1ha6 s ILE 37 Ca -0.08 -0.30 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 1ha6 s ILE 37 Cb -0.01 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1ha6 s ILE 37 CO 0.02 -0.02 1.95 -0.38 -1.23 0.00 0.00 174.94 175.29 1ha6 n ILE 38 N 5.08 3.62 -1.40 2.92 5.41 0.02 -1.62 119.36 133.40 1ha6 n ILE 38 Ca -0.13 -3.52 -0.32 0.00 1.00 0.00 0.00 62.75 59.78 1ha6 n ILE 38 Cb 0.49 -2.45 0.08 0.00 -0.71 0.00 0.00 39.64 37.06 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 4.05 2.46 -0.49 1.39 0.08 0.21 0.09 117.98 125.77 1ha6 s PHE 39 Ca 0.52 1.58 0.06 0.00 0.12 0.00 0.00 56.93 59.21 1ha6 s PHE 39 Cb 0.08 -3.15 0.21 0.00 -0.57 0.00 0.00 43.02 39.59 1ha6 s PHE 39 CO 0.01 -1.91 0.72 0.72 -0.10 0.00 0.00 175.22 174.66 1ha6 n HIS 40 N -3.13 -3.16 -0.75 0.36 8.25 0.17 0.42 115.22 117.38 1ha6 n HIS 40 Ca 0.10 -1.83 -0.30 0.00 -0.26 0.00 0.00 57.72 55.43 1ha6 n HIS 40 Cb 0.52 1.26 0.26 0.00 1.12 0.00 0.00 29.99 33.15 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 2.46 0.00 0.08 1.59 -2.24 -1.17 -1.89 114.28 113.11 1ha6 n THR 41 Ca 0.17 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ha6 n THR 41 Cb 0.57 -1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 1ha6 n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ha6 h LYS 42 N 0.00 0.00 -0.60 -0.78 1.57 -1.94 -3.38 116.57 111.44 1ha6 h LYS 42 Ca -0.40 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.98 1ha6 h LYS 42 Cb 1.26 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.16 1ha6 h LYS 42 CO 0.25 0.45 -0.95 1.17 -0.57 0.00 0.00 179.45 179.80 1ha6 n LYS 43 N -3.09 2.74 -3.64 3.15 4.81 -1.26 -5.00 118.16 115.86 1ha6 n LYS 43 Ca -0.03 -3.86 -0.04 0.00 -0.87 0.00 0.00 58.31 53.51 1ha6 n LYS 43 Cb 0.80 -1.96 -0.07 0.00 0.02 0.00 0.00 35.03 33.82 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 -3.67 0.37 0.96 1.64 0.52 -1.26 -5.18 118.95 112.33 1ha6 s ARG 44 Ca 0.40 0.58 -0.15 0.00 -0.52 0.00 0.00 55.73 56.04 1ha6 s ARG 44 Cb 0.37 0.11 0.23 0.00 0.52 0.00 0.00 34.95 36.18 1ha6 s ARG 44 CO 0.00 -0.07 0.53 0.36 0.02 0.00 0.00 175.30 176.14 1ha6 n LYS 45 N 3.20 -3.08 -1.70 3.54 0.00 -1.26 -3.07 118.16 115.79 1ha6 n LYS 45 Ca -0.17 -0.89 -0.58 0.00 -0.00 0.00 0.00 58.31 56.68 1ha6 n LYS 45 Cb 0.57 -1.28 -0.07 0.00 -0.00 0.00 0.00 35.03 34.24 1ha6 n LYS 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ha6 n SER 46 N -3.82 2.35 -4.54 -5.58 7.64 -1.26 -4.45 113.62 103.95 1ha6 n SER 46 Ca 0.08 1.05 -0.34 0.00 1.01 0.00 0.00 58.87 60.68 1ha6 n SER 46 Cb 0.36 -1.14 -0.12 0.00 -1.01 0.00 0.00 64.21 62.31 1ha6 n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ha6 s VAL 47 N 3.72 3.88 -0.27 0.44 1.01 0.17 -4.93 120.40 124.42 1ha6 s VAL 47 Ca 0.99 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1ha6 s VAL 47 Cb -1.08 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1ha6 s VAL 47 CO 0.66 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 176.25 1ha6 s ALA 49 N 1.25 1.83 0.26 0.00 0.00 -0.64 -0.11 121.76 124.35 1ha6 s ALA 49 Ca -0.04 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.80 1ha6 s ALA 49 Cb -0.19 -0.86 -0.12 0.00 0.00 0.00 0.00 23.12 21.95 1ha6 s ALA 49 CO -0.03 -0.04 1.55 -3.47 0.00 0.00 0.00 175.76 173.77 1ha6 n ASP 50 N 4.13 3.49 -2.35 0.00 2.03 -1.26 0.18 116.55 122.77 1ha6 n ASP 50 Ca -0.19 1.13 -0.11 0.00 0.52 0.00 0.00 54.79 56.14 1ha6 n ASP 50 Cb 0.51 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.29 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 2.34 1.50 -0.02 -0.67 -0.04 -1.26 -3.47 135.00 133.38 1ha6 n PRO 51 Ca 0.11 -0.81 -0.02 0.00 -0.04 0.00 0.00 63.50 62.73 1ha6 n PRO 51 Cb 0.35 -1.94 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 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 2.91 0.39 -1.43 0.54 4.76 -1.26 -4.90 118.16 119.17 1ha6 n LYS 52 Ca 0.32 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.48 1ha6 n LYS 52 Cb 0.52 -1.07 0.10 0.00 -1.84 0.00 0.00 35.03 32.75 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 -2.07 1.87 -0.11 1.97 -1.52 -1.23 -4.96 119.66 113.61 1ha6 s GLN 53 Ca -0.04 0.73 -0.28 0.00 -1.95 0.00 0.00 55.36 53.82 1ha6 s GLN 53 Cb 0.01 -1.89 -0.24 0.00 -0.22 0.00 0.00 33.01 30.68 1ha6 s GLN 53 CO 0.08 -1.79 0.87 -0.91 -0.25 0.00 0.00 175.29 173.29 1ha6 h ASN 54 N -1.22 -0.00 -0.75 5.90 2.35 -1.97 -2.27 115.58 117.63 1ha6 h ASN 54 Ca -0.47 -0.85 0.15 0.00 -0.55 0.00 0.00 56.30 54.58 1ha6 h ASN 54 Cb 1.27 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.54 1ha6 h ASN 54 CO 0.57 0.86 0.26 4.11 -1.65 0.00 0.00 177.43 181.58 1ha6 h TRP 55 N -0.88 0.44 0.73 1.19 5.08 -1.95 0.43 115.95 121.00 1ha6 h TRP 55 Ca -0.00 0.04 -0.04 0.00 1.08 0.00 0.00 58.89 59.97 1ha6 h TRP 55 Cb 0.85 -0.08 0.01 0.00 -3.00 0.00 0.00 29.16 26.94 1ha6 h TRP 55 CO 0.23 0.01 -0.37 0.28 -1.28 0.00 0.00 178.44 177.31 1ha6 h VAL 56 N 0.38 0.00 -0.70 0.12 2.07 -1.90 -1.23 116.25 114.99 1ha6 h VAL 56 Ca 0.41 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.14 1ha6 h VAL 56 Cb 0.66 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1ha6 h VAL 56 CO -0.44 0.00 0.54 0.11 0.02 0.00 0.00 177.57 177.81 1ha6 h LYS 57 N -1.01 0.00 0.13 1.57 1.79 -0.72 0.30 116.57 118.63 1ha6 h LYS 57 Ca -0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1ha6 h LYS 57 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1ha6 h LYS 57 CO 0.15 0.00 -0.06 -0.09 -1.08 0.00 0.00 179.45 178.37 1ha6 h ARG 58 N 0.00 -0.16 -0.69 3.15 2.43 0.11 0.44 114.38 119.65 1ha6 h ARG 58 Ca 0.33 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1ha6 h ARG 58 Cb 1.42 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 1ha6 h ARG 58 CO -0.00 0.29 0.43 0.00 -1.51 0.00 0.00 179.97 179.17 1ha6 h ALA 59 N 0.03 0.88 0.00 2.80 0.00 -0.05 -1.25 119.26 121.66 1ha6 h ALA 59 Ca -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ha6 h ALA 59 Cb 0.52 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ha6 h ALA 59 CO 0.03 0.34 -0.14 0.28 0.00 0.00 0.00 179.25 179.76 1ha6 h VAL 60 N 0.94 0.62 0.11 0.00 2.07 -0.48 -2.52 116.25 116.99 1ha6 h VAL 60 Ca 0.25 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ha6 h VAL 60 Cb -0.05 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1ha6 h VAL 60 CO -0.05 0.14 -0.05 -1.13 0.02 0.00 0.00 177.57 176.50 1ha6 h ASN 61 N 0.00 -0.13 -0.81 0.57 -0.73 0.11 0.81 115.58 115.40 1ha6 h ASN 61 Ca -0.00 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 57.88 1ha6 h ASN 61 Cb 0.38 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.96 1ha6 h ASN 61 CO 0.02 0.24 0.52 -0.07 -0.37 0.00 0.00 177.43 177.77 1ha6 h LEU 62 N -0.50 0.95 -1.62 0.34 4.07 -1.33 -0.73 115.31 116.48 1ha6 h LEU 62 Ca -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1ha6 h LEU 62 Cb 0.41 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1ha6 h LEU 62 CO 0.02 0.71 -0.07 0.25 -1.08 0.00 0.00 178.44 178.27 1ha6 h LEU 63 N 1.11 0.14 -0.28 1.67 6.46 -1.25 -2.15 115.31 121.01 1ha6 h LEU 63 Ca 0.30 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1ha6 h LEU 63 Cb -0.09 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1ha6 h LEU 63 CO -0.06 0.24 -0.01 -1.28 -0.62 0.00 0.00 178.44 176.71 1ha6 h SER 64 N 0.15 0.48 0.44 1.25 0.87 0.22 0.92 113.55 117.88 1ha6 h SER 64 Ca 0.03 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 1ha6 h SER 64 Cb 0.23 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1ha6 h SER 64 CO 0.01 0.68 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.61 1ha6 h LEU 65 N 0.27 0.00 0.13 2.23 3.38 -1.24 -1.71 115.31 118.38 1ha6 h LEU 65 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ha6 h LEU 65 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ha6 h LEU 65 CO 0.02 0.31 -0.06 0.03 0.09 0.00 0.00 178.44 178.83 1ha6 h ARG 66 N 0.00 -0.16 -1.56 1.13 2.47 -0.70 -3.36 114.38 112.19 1ha6 h ARG 66 Ca -0.00 0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.39 1ha6 h ARG 66 Cb 0.61 0.04 -0.14 0.00 -1.65 0.00 0.00 29.97 28.83 1ha6 h ARG 66 CO 0.04 -0.11 0.42 0.28 0.56 0.00 0.00 179.97 181.16 1ha6 n VAL 67 N -4.07 2.84 0.00 2.04 0.31 0.31 -4.20 118.33 115.56 1ha6 n VAL 67 Ca -0.02 -1.78 0.00 0.00 -0.01 0.00 0.00 64.34 62.53 1ha6 n VAL 67 Cb 0.07 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1ha6 n VAL 67 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ha6 n LYS 68 N 0.39 0.00 -0.69 5.55 4.81 -0.65 -4.88 118.16 122.69 1ha6 n LYS 68 Ca 0.32 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.48 1ha6 n LYS 68 Cb 0.58 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.87 1ha6 n LYS 68 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ha6 s LYS 69 N 0.00 -0.81 0.00 1.64 2.47 -1.26 -4.32 119.74 117.46 1ha6 s LYS 69 Ca 0.00 0.68 0.00 0.00 -1.56 0.00 0.00 55.97 55.09 1ha6 s LYS 69 Cb 0.00 -1.58 0.00 0.00 -1.46 0.00 0.00 37.83 34.79 1ha6 s LYS 69 CO 0.00 -3.61 0.39 0.00 0.16 0.00 0.00 175.35 172.29