#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 1.66 -0.48 0.00 0.01 -1.26 -5.04 113.70 108.59 1ha6 s SER 2 Ca 0.00 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.96 1ha6 s SER 2 Cb 0.00 -0.16 0.59 0.00 0.21 0.00 0.00 66.02 66.66 1ha6 s SER 2 CO 0.00 0.12 1.87 -0.46 0.41 0.00 0.00 173.24 175.18 1ha6 n ASN 3 N 2.43 4.58 -4.80 2.44 6.94 -1.26 -4.98 115.26 120.60 1ha6 n ASN 3 Ca -0.16 -3.68 -0.36 0.00 -0.02 0.00 0.00 54.58 50.36 1ha6 n ASN 3 Cb 0.55 -0.83 -0.06 0.00 -2.36 0.00 0.00 39.78 37.08 1ha6 n ASN 3 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1ha6 s TYR 4 N -3.43 3.64 -0.34 -2.53 5.04 -1.26 -4.99 117.35 113.48 1ha6 s TYR 4 Ca 0.57 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 1ha6 s TYR 4 Cb 0.48 -2.78 0.29 0.00 0.35 0.00 0.00 41.96 40.30 1ha6 s TYR 4 CO 0.06 0.24 1.28 -3.47 -1.34 0.00 0.00 175.55 172.33 1ha6 n ASP 5 N 0.51 -1.34 0.00 4.32 2.03 -1.26 -5.04 116.55 115.77 1ha6 n ASP 5 Ca 0.01 -1.89 0.00 0.00 0.52 0.00 0.00 54.79 53.43 1ha6 n ASP 5 Cb 0.51 0.93 0.00 0.00 -0.72 0.00 0.00 41.12 41.83 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ha6 h LEU 8 N -2.05 0.11 0.00 0.00 6.46 -1.94 -3.42 115.31 114.47 1ha6 h LEU 8 Ca -0.52 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1ha6 h LEU 8 Cb 1.33 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1ha6 h LEU 8 CO 0.39 -0.04 0.00 -0.24 -0.62 0.00 0.00 178.44 177.93 1ha6 n SER 9 N -4.29 0.00 -3.37 1.25 2.88 -1.26 -5.15 113.62 103.68 1ha6 n SER 9 Ca 0.35 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.73 1ha6 n SER 9 Cb 1.50 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 65.11 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 -0.33 -2.56 -3.16 0.66 9.36 -1.26 -4.36 117.16 115.51 1ha6 n TYR 10 Ca 0.00 -0.18 -0.45 0.00 3.32 0.00 0.00 57.90 60.59 1ha6 n TYR 10 Cb 0.00 -1.13 -0.05 0.00 -0.63 0.00 0.00 39.34 37.53 1ha6 n TYR 10 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1ha6 s ILE 11 N -1.85 4.91 -0.85 2.97 -1.09 -1.19 -4.81 121.20 119.28 1ha6 s ILE 11 Ca 0.34 -0.97 0.17 0.00 -2.23 0.00 0.00 60.65 57.96 1ha6 s ILE 11 Cb -0.06 -4.41 0.15 0.00 -1.58 0.00 0.00 42.46 36.56 1ha6 s ILE 11 CO 0.29 -0.99 1.52 0.00 -1.23 0.00 0.00 174.94 174.52 1ha6 n GLN 12 N 6.09 0.05 -3.31 2.79 6.02 -1.26 -4.46 117.38 123.30 1ha6 n GLN 12 Ca -0.10 0.31 -0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1ha6 n GLN 12 Cb 0.43 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 1ha6 n GLN 12 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ha6 s THR 13 N -3.09 -0.57 -0.45 5.09 2.01 -1.26 -5.12 115.64 112.25 1ha6 s THR 13 Ca 0.06 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 1ha6 s THR 13 Cb 0.09 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 1ha6 s THR 13 CO 0.29 -0.37 1.66 -2.16 -0.69 0.00 0.00 174.62 173.35 1ha6 s PRO 14 N 1.85 3.23 0.46 4.92 0.04 -1.26 -5.02 135.00 139.22 1ha6 s PRO 14 Ca 0.15 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1ha6 s PRO 14 Cb -0.12 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 1ha6 s PRO 14 CO -0.12 -1.99 0.82 -0.48 0.04 0.00 0.00 177.00 175.27 1ha6 s LEU 15 N 6.88 3.68 0.54 -3.56 2.34 -1.26 -5.05 118.68 122.25 1ha6 s LEU 15 Ca 0.68 1.14 -0.19 0.00 0.06 0.00 0.00 54.13 55.82 1ha6 s LEU 15 Cb -0.16 -4.07 -0.06 0.00 -0.56 0.00 0.00 46.19 41.34 1ha6 s LEU 15 CO 0.29 -0.53 1.12 -2.16 -1.06 0.00 0.00 176.35 174.01 1ha6 s PRO 16 N -4.30 3.39 0.58 1.48 0.04 -1.26 -4.90 135.00 130.03 1ha6 s PRO 16 Ca 0.51 1.58 0.26 0.00 0.04 0.00 0.00 61.00 63.39 1ha6 s PRO 16 Cb -0.10 -2.01 1.41 0.00 0.04 0.00 0.00 34.50 33.83 1ha6 s PRO 16 CO 0.38 -0.81 1.77 0.66 0.04 0.00 0.00 177.00 179.04 1ha6 h SER 17 N 1.21 0.00 -0.11 6.66 4.64 -1.94 0.49 113.55 124.51 1ha6 h SER 17 Ca -0.50 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1ha6 h SER 17 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ha6 h SER 17 CO 0.57 0.00 0.19 0.08 -0.87 0.00 0.00 176.83 176.80 1ha6 h ARG 18 N 0.00 0.00 -0.25 4.77 -0.00 -1.99 0.15 114.38 117.06 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ha6 h ARG 18 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 1ha6 h ARG 18 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.97 1ha6 n ALA 19 N -2.18 2.40 -2.81 0.08 0.00 0.16 -4.92 120.51 113.25 1ha6 n ALA 19 Ca -0.00 -0.89 -0.39 0.00 0.00 0.00 0.00 53.44 52.16 1ha6 n ALA 19 Cb 0.29 -0.68 -0.11 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.34 4.70 -0.18 0.00 1.09 0.51 -2.54 121.20 123.44 1ha6 s ILE 20 Ca 0.29 -0.48 -0.11 0.00 -1.10 0.00 0.00 60.65 59.25 1ha6 s ILE 20 Cb 0.18 -3.45 -0.22 0.00 -1.06 0.00 0.00 42.46 37.91 1ha6 s ILE 20 CO 0.25 -0.01 0.18 1.33 -0.10 0.00 0.00 174.94 176.59 1ha6 n VAL 21 N 5.00 1.65 -4.24 2.92 0.24 -1.18 -4.97 118.33 117.76 1ha6 n VAL 21 Ca -0.13 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.61 1ha6 n VAL 21 Cb 0.49 -1.81 -0.10 0.00 -1.47 0.00 0.00 33.84 30.94 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 -5.45 1.28 -0.17 7.63 0.00 -0.74 -5.04 107.32 104.82 1ha6 s GLY 22 Ca -0.27 -1.62 -0.35 0.00 0.00 0.00 0.00 44.72 42.47 1ha6 s GLY 22 CO 0.67 -1.51 1.40 -0.11 0.00 0.00 0.00 173.10 173.54 1ha6 s PHE 23 N -3.75 -0.01 0.17 1.90 -0.71 -1.26 -0.20 117.98 114.11 1ha6 s PHE 23 Ca 0.27 -0.00 -0.05 0.00 -1.04 0.00 0.00 56.93 56.11 1ha6 s PHE 23 Cb 0.07 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1ha6 s PHE 23 CO 0.06 -0.04 0.19 0.99 -1.34 0.00 0.00 175.22 175.07 1ha6 s THR 24 N -2.08 0.06 -0.05 -4.49 2.01 0.67 -4.96 115.64 106.80 1ha6 s THR 24 Ca 0.13 -1.71 -0.08 0.00 0.31 0.00 0.00 61.69 60.34 1ha6 s THR 24 Cb 0.04 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1ha6 s THR 24 CO -0.05 -0.27 0.24 -0.13 -0.69 0.00 0.00 174.62 173.73 1ha6 s ARG 25 N -4.04 3.59 -0.13 4.92 3.00 -1.26 -0.99 118.95 124.03 1ha6 s ARG 25 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 55.73 55.99 1ha6 s ARG 25 Cb 0.05 -3.16 0.02 0.00 0.00 0.00 0.00 34.95 31.86 1ha6 s ARG 25 CO 0.04 0.72 -0.14 -1.14 0.00 0.00 0.00 175.30 174.78 1ha6 s GLN 26 N -1.29 2.16 0.19 3.54 0.74 -0.16 -4.83 119.66 120.01 1ha6 s GLN 26 Ca 0.21 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 55.08 1ha6 s GLN 26 Cb -0.13 -1.97 -0.05 0.00 1.10 0.00 0.00 33.01 31.96 1ha6 s GLN 26 CO 0.10 -0.19 0.40 -1.64 -0.55 0.00 0.00 175.29 173.41 1ha6 s MET 27 N 1.38 3.56 -0.76 1.67 -1.94 -1.26 -1.74 119.30 120.21 1ha6 s MET 27 Ca 0.02 -0.22 -0.23 0.00 -1.71 0.00 0.00 55.69 53.55 1ha6 s MET 27 Cb -0.13 -2.83 0.06 0.00 2.01 0.00 0.00 34.83 33.94 1ha6 s MET 27 CO -0.08 0.41 1.13 0.00 -0.01 0.00 0.00 175.02 176.47 1ha6 s ALA 28 N -1.81 3.00 0.00 3.03 0.00 -1.21 -4.20 121.76 120.56 1ha6 s ALA 28 Ca 0.40 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1ha6 s ALA 28 Cb -0.11 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1ha6 s ALA 28 CO 0.28 -3.05 0.00 -0.25 0.00 0.00 0.00 175.76 172.74 1ha6 n ASP 29 N 8.16 0.00 -1.64 0.00 8.00 1.00 -4.86 116.55 127.21 1ha6 n ASP 29 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1ha6 n ASP 29 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 2.69 0.27 -1.24 4.07 -1.26 -4.70 120.64 120.46 1ha6 n GLU 30 Ca 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.27 1ha6 n GLU 30 Cb 0.00 0.00 0.79 0.00 -0.06 0.00 0.00 31.44 32.17 1ha6 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ha6 h ALA 31 N -2.00 1.56 -2.76 4.31 0.00 -2.01 -3.38 119.26 114.99 1ha6 h ALA 31 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 1ha6 h ALA 31 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1ha6 h ALA 31 CO 0.00 -0.43 -0.47 0.00 0.00 0.00 0.00 179.25 178.36 1ha6 n ASP 33 N 2.26 0.81 -4.60 0.00 4.64 -1.26 -0.00 116.55 118.40 1ha6 n ASP 33 Ca -0.19 -0.74 -0.30 0.00 -1.38 0.00 0.00 54.79 52.18 1ha6 n ASP 33 Cb 0.54 1.00 -0.08 0.00 -1.04 0.00 0.00 41.12 41.54 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 -3.07 1.19 -0.09 5.18 -4.36 -1.26 -4.54 121.20 114.25 1ha6 s ILE 34 Ca 0.06 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.32 1ha6 s ILE 34 Cb 0.16 -2.37 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 1ha6 s ILE 34 CO 0.85 0.00 0.31 0.20 0.24 0.00 0.00 174.94 176.54 1ha6 s ASN 35 N -3.78 6.59 0.13 4.36 0.01 -1.26 -3.34 114.94 117.65 1ha6 s ASN 35 Ca 0.16 0.69 -0.14 0.00 -0.71 0.00 0.00 52.86 52.86 1ha6 s ASN 35 Cb 0.04 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.53 1ha6 s ASN 35 CO 0.08 0.25 0.36 0.00 -1.51 0.00 0.00 177.10 176.29 1ha6 s ALA 36 N -0.47 -0.66 -0.34 0.60 0.00 -0.71 -4.05 121.76 116.13 1ha6 s ALA 36 Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1ha6 s ALA 36 Cb -0.14 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.72 1ha6 s ALA 36 CO 0.08 -0.64 0.10 0.42 0.00 0.00 0.00 175.76 175.72 1ha6 s ILE 37 N -3.85 3.67 -1.06 0.00 -1.09 0.12 -0.99 121.20 118.01 1ha6 s ILE 37 Ca 0.06 -1.21 -0.22 0.00 -2.23 0.00 0.00 60.65 57.05 1ha6 s ILE 37 Cb 0.02 -3.10 -0.10 0.00 -1.58 0.00 0.00 42.46 37.70 1ha6 s ILE 37 CO -0.09 -0.20 1.92 -0.38 -1.23 0.00 0.00 174.94 174.97 1ha6 n ILE 38 N 4.78 2.06 -1.88 2.92 5.41 -0.16 -1.96 119.36 130.52 1ha6 n ILE 38 Ca -0.12 -2.02 -0.35 0.00 1.00 0.00 0.00 62.75 61.25 1ha6 n ILE 38 Cb 0.44 -2.24 0.05 0.00 -0.71 0.00 0.00 39.64 37.18 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 8.36 2.37 -0.38 1.39 0.08 0.17 -0.24 117.98 129.72 1ha6 s PHE 39 Ca 0.63 1.54 0.10 0.00 0.12 0.00 0.00 56.93 59.32 1ha6 s PHE 39 Cb 0.05 -3.43 0.30 0.00 -0.57 0.00 0.00 43.02 39.37 1ha6 s PHE 39 CO 0.12 -2.19 0.62 0.72 -0.10 0.00 0.00 175.22 174.39 1ha6 n HIS 40 N -1.91 -0.09 -0.29 0.36 8.25 0.72 -0.45 115.22 121.81 1ha6 n HIS 40 Ca 0.13 -3.68 -0.18 0.00 -0.26 0.00 0.00 57.72 53.73 1ha6 n HIS 40 Cb 0.50 -0.38 0.17 0.00 1.12 0.00 0.00 29.99 31.39 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 0.89 0.00 -0.03 1.59 -2.24 -1.19 -1.80 114.28 111.51 1ha6 n THR 41 Ca 0.23 -0.07 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1ha6 n THR 41 Cb 0.59 -0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 67.96 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 -4.05 0.66 -1.26 -0.78 4.81 -1.05 -4.39 118.16 112.10 1ha6 n LYS 42 Ca 0.08 -0.13 -0.05 0.00 -0.87 0.00 0.00 58.31 57.34 1ha6 n LYS 42 Cb 0.35 -1.54 0.12 0.00 0.02 0.00 0.00 35.03 33.98 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 -2.42 2.25 -3.56 1.64 0.00 -1.26 -4.96 118.16 109.85 1ha6 n LYS 43 Ca -0.11 -3.56 -0.01 0.00 0.00 0.00 0.00 58.31 54.63 1ha6 n LYS 43 Cb 0.73 -1.77 -0.06 0.00 0.00 0.00 0.00 35.03 33.93 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 -3.21 0.37 1.44 1.64 3.52 -1.26 -5.18 118.95 116.27 1ha6 s ARG 44 Ca 0.42 0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 56.52 1ha6 s ARG 44 Cb 0.38 0.24 0.37 0.00 -1.56 0.00 0.00 34.95 34.39 1ha6 s ARG 44 CO -0.03 -0.09 0.89 1.63 -0.81 0.00 0.00 175.30 176.88 1ha6 n LYS 45 N 4.26 -4.70 -1.42 5.12 5.02 -1.26 -3.17 118.16 122.00 1ha6 n LYS 45 Ca -0.15 -1.49 -0.62 0.00 -2.02 0.00 0.00 58.31 54.03 1ha6 n LYS 45 Cb 0.55 -1.86 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ha6 n SER 46 N -5.73 0.91 -4.58 4.39 3.41 -1.25 -4.59 113.62 106.18 1ha6 n SER 46 Ca 0.14 0.86 -0.34 0.00 -0.26 0.00 0.00 58.87 59.27 1ha6 n SER 46 Cb 0.60 -0.87 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 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 4.73 4.11 -0.37 -3.33 1.01 0.40 -4.91 120.40 122.04 1ha6 s VAL 47 Ca 1.12 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 1ha6 s VAL 47 Cb -1.47 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 32.22 1ha6 s VAL 47 CO 0.71 0.54 0.14 0.00 0.00 0.00 0.00 175.10 176.48 1ha6 s ALA 49 N 1.24 1.99 0.24 0.00 0.00 -0.83 -3.17 121.76 121.23 1ha6 s ALA 49 Ca 0.02 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1ha6 s ALA 49 Cb -0.21 -0.99 -0.15 0.00 0.00 0.00 0.00 23.12 21.77 1ha6 s ALA 49 CO -0.02 -0.18 1.11 -3.47 0.00 0.00 0.00 175.76 173.20 1ha6 n ASP 50 N 4.37 1.45 -2.39 0.00 2.03 -1.26 0.13 116.55 120.89 1ha6 n ASP 50 Ca -0.19 1.16 -0.14 0.00 0.52 0.00 0.00 54.79 56.14 1ha6 n ASP 50 Cb 0.51 -1.27 -0.10 0.00 -0.72 0.00 0.00 41.12 39.53 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 1.24 1.78 0.00 -0.67 -0.04 -1.26 -3.31 135.00 132.74 1ha6 n PRO 51 Ca 0.12 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1ha6 n PRO 51 Cb 0.29 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 0.00 -0.58 0.54 4.76 -1.26 -4.85 118.16 119.71 1ha6 n LYS 52 Ca 0.38 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.52 1ha6 n LYS 52 Cb 0.56 -0.83 0.21 0.00 -1.84 0.00 0.00 35.03 33.13 1ha6 n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1ha6 n GLN 53 N -2.39 -1.62 0.00 1.97 6.02 -1.21 -4.85 117.38 115.31 1ha6 n GLN 53 Ca 0.00 -0.43 -0.17 0.00 -0.01 0.00 0.00 57.00 56.38 1ha6 n GLN 53 Cb 0.40 -2.15 -0.14 0.00 1.02 0.00 0.00 30.24 29.38 1ha6 n GLN 53 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1ha6 h ASN 54 N -2.30 0.29 -0.83 1.08 -1.07 -1.98 -1.64 115.58 109.14 1ha6 h ASN 54 Ca -0.54 -0.95 0.01 0.00 0.07 0.00 0.00 56.30 54.89 1ha6 h ASN 54 Cb 1.31 -0.09 -0.04 0.00 -2.07 0.00 0.00 38.32 37.43 1ha6 h ASN 54 CO 0.44 1.22 0.54 4.11 0.07 0.00 0.00 177.43 183.81 1ha6 h TRP 55 N -0.59 1.05 0.45 4.14 5.08 -1.94 0.41 115.95 124.56 1ha6 h TRP 55 Ca -0.08 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.89 1ha6 h TRP 55 Cb 1.36 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 1ha6 h TRP 55 CO 0.22 0.67 -0.22 0.28 -1.28 0.00 0.00 178.44 178.11 1ha6 h VAL 56 N 1.13 0.00 -0.87 0.12 2.07 -1.91 0.31 116.25 117.10 1ha6 h VAL 56 Ca 0.30 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 67.97 1ha6 h VAL 56 Cb -0.12 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.59 1ha6 h VAL 56 CO -0.06 0.00 0.58 0.07 0.02 0.00 0.00 177.57 178.17 1ha6 h LYS 57 N -0.65 0.38 0.65 1.57 2.10 -1.00 0.21 116.57 119.83 1ha6 h LYS 57 Ca -0.06 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 1ha6 h LYS 57 Cb 0.46 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1ha6 h LYS 57 CO 0.10 0.25 -0.31 0.00 -2.00 0.00 0.00 179.45 177.49 1ha6 h ARG 58 N 0.39 -0.84 -0.88 0.07 3.08 -0.02 0.73 114.38 116.90 1ha6 h ARG 58 Ca 0.45 0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.62 1ha6 h ARG 58 Cb 1.13 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 31.31 1ha6 h ARG 58 CO -0.16 -0.53 0.55 0.00 -1.07 0.00 0.00 179.97 178.77 1ha6 h ALA 59 N -1.00 1.22 -0.63 0.04 0.00 -0.16 -1.00 119.26 117.74 1ha6 h ALA 59 Ca -0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ha6 h ALA 59 Cb 0.71 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ha6 h ALA 59 CO 0.15 0.31 0.14 0.28 0.00 0.00 0.00 179.25 180.12 1ha6 h VAL 60 N 1.01 1.25 -0.38 0.00 2.07 -0.64 -2.67 116.25 116.89 1ha6 h VAL 60 Ca 0.39 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1ha6 h VAL 60 Cb 0.17 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1ha6 h VAL 60 CO -0.17 0.35 0.15 -1.13 0.02 0.00 0.00 177.57 176.79 1ha6 h ASN 61 N 0.95 0.18 -0.69 0.57 -1.24 0.18 0.79 115.58 116.33 1ha6 h ASN 61 Ca 0.20 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 1ha6 h ASN 61 Cb 0.36 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1ha6 h ASN 61 CO 0.00 0.14 0.33 -0.07 -1.29 0.00 0.00 177.43 176.55 1ha6 h LEU 62 N 0.32 0.91 -1.18 0.34 3.38 -1.20 -0.07 115.31 117.81 1ha6 h LEU 62 Ca 0.17 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1ha6 h LEU 62 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1ha6 h LEU 62 CO -0.16 0.78 -0.02 0.25 0.09 0.00 0.00 178.44 179.38 1ha6 h LEU 63 N 1.00 0.52 -1.40 1.67 6.46 -0.84 -2.22 115.31 120.49 1ha6 h LEU 63 Ca 0.24 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1ha6 h LEU 63 Cb 0.11 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1ha6 h LEU 63 CO -0.03 0.60 0.11 -1.28 -0.62 0.00 0.00 178.44 177.22 1ha6 h SER 64 N 0.52 0.46 1.11 1.25 0.87 0.25 0.85 113.55 118.87 1ha6 h SER 64 Ca 0.11 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 1ha6 h SER 64 Cb 0.36 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1ha6 h SER 64 CO 0.01 0.45 -0.84 -0.07 -0.53 0.00 0.00 176.83 175.85 1ha6 h LEU 65 N 0.51 0.00 0.02 2.23 3.38 -1.19 -2.75 115.31 117.51 1ha6 h LEU 65 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ha6 h LEU 65 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ha6 h LEU 65 CO -0.01 0.84 -0.01 -0.09 0.09 0.00 0.00 178.44 179.27 1ha6 h ARG 66 N 0.00 -0.03 -1.73 1.13 9.65 -0.52 -3.36 114.38 119.53 1ha6 h ARG 66 Ca -0.01 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 1ha6 h ARG 66 Cb 1.63 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 30.08 1ha6 h ARG 66 CO 0.11 -0.02 0.32 0.28 2.80 0.00 0.00 179.97 183.46 1ha6 n VAL 67 N -2.64 2.89 -2.01 0.20 0.31 0.28 -4.95 118.33 112.41 1ha6 n VAL 67 Ca -0.00 -1.92 -0.41 0.00 -0.01 0.00 0.00 64.34 61.99 1ha6 n VAL 67 Cb 0.01 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.45 1ha6 n VAL 67 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1ha6 s LYS 68 N -1.44 4.27 -0.27 5.55 -2.85 -1.04 -4.82 119.74 119.14 1ha6 s LYS 68 Ca 0.39 2.33 -0.01 0.00 -1.00 0.00 0.00 55.97 57.67 1ha6 s LYS 68 Cb 0.27 -3.06 0.09 0.00 -2.06 0.00 0.00 37.83 33.07 1ha6 s LYS 68 CO -0.06 -0.34 0.06 0.21 0.10 0.00 0.00 175.35 175.32 1ha6 s LYS 69 N -1.44 0.81 0.00 1.78 2.36 -1.26 -5.08 119.74 116.91 1ha6 s LYS 69 Ca 0.53 -0.91 0.17 0.00 -2.55 0.00 0.00 55.97 53.21 1ha6 s LYS 69 Cb -0.42 -2.11 1.01 0.00 -1.05 0.00 0.00 37.83 35.26 1ha6 s LYS 69 CO 0.52 -0.85 1.41 0.00 1.55 0.00 0.00 175.35 177.98