#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 0.00 0.00 7.64 -1.26 -5.16 113.62 114.84 1ha6 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ha6 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ha6 n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ha6 n ASN 3 N 0.00 0.00 -4.28 6.43 4.05 -1.26 -5.16 115.26 115.04 1ha6 n ASN 3 Ca 0.00 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.62 1ha6 n ASN 3 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1ha6 n ASN 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ha6 n TYR 4 N 1.28 -2.37 -2.00 1.20 9.36 -1.26 -4.89 117.16 118.48 1ha6 n TYR 4 Ca 0.00 0.57 -0.39 0.00 3.32 0.00 0.00 57.90 61.40 1ha6 n TYR 4 Cb 0.00 -1.75 0.04 0.00 -0.63 0.00 0.00 39.34 37.00 1ha6 n TYR 4 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1ha6 n ASP 5 N 2.38 7.28 0.00 2.98 9.92 -1.26 -4.81 116.55 133.05 1ha6 n ASP 5 Ca 0.10 -3.82 0.00 0.00 -0.53 0.00 0.00 54.79 50.54 1ha6 n ASP 5 Cb 0.42 -1.02 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 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 0.13 -0.06 0.00 0.00 -0.00 -1.26 -4.51 117.00 111.31 1ha6 n LEU 8 Ca 0.07 1.20 0.00 0.00 -0.00 0.00 0.00 56.01 57.28 1ha6 n LEU 8 Cb 0.51 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1ha6 n LEU 8 CO 0.51 -1.23 0.00 -1.54 -0.00 0.00 0.00 177.39 175.13 1ha6 n SER 9 N -4.94 0.00 -4.05 1.45 3.41 -1.26 -5.11 113.62 103.12 1ha6 n SER 9 Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.41 1ha6 n SER 9 Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1ha6 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ha6 n TYR 10 N -0.04 -2.57 -1.55 7.33 4.19 -1.26 -4.34 117.16 118.93 1ha6 n TYR 10 Ca 0.00 0.47 -0.15 0.00 3.31 0.00 0.00 57.90 61.53 1ha6 n TYR 10 Cb 0.00 -1.62 -0.11 0.00 0.49 0.00 0.00 39.34 38.10 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 -1.32 -0.00 0.32 2.97 0.13 0.11 -4.74 119.36 116.83 1ha6 n ILE 11 Ca 0.08 -0.50 0.20 0.00 -1.10 0.00 0.00 62.75 61.43 1ha6 n ILE 11 Cb 0.43 -1.55 1.08 0.00 -0.84 0.00 0.00 39.64 38.75 1ha6 n ILE 11 CO 0.00 0.00 0.00 0.06 2.80 0.00 0.00 176.55 179.41 1ha6 h GLN 12 N 12.33 0.00 -2.31 9.51 3.07 -1.89 -3.36 115.11 132.47 1ha6 h GLN 12 Ca 0.01 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.38 1ha6 h GLN 12 Cb 1.03 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 28.24 1ha6 h GLN 12 CO 1.14 0.00 -0.66 0.99 0.09 0.00 0.00 178.83 180.39 1ha6 s THR 13 N -4.30 -0.33 -0.35 1.86 2.01 -1.26 -5.12 115.64 108.14 1ha6 s THR 13 Ca -0.05 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1ha6 s THR 13 Cb 0.13 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1ha6 s THR 13 CO 0.44 -0.50 1.78 -2.16 -0.69 0.00 0.00 174.62 173.49 1ha6 s PRO 14 N 2.31 3.30 0.07 4.92 0.04 -1.26 -5.00 135.00 139.37 1ha6 s PRO 14 Ca 0.09 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1ha6 s PRO 14 Cb -0.14 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1ha6 s PRO 14 CO -0.32 -1.89 0.20 -0.48 0.04 0.00 0.00 177.00 174.54 1ha6 s LEU 15 N 6.95 4.29 0.64 -3.56 2.34 -1.26 -5.09 118.68 122.99 1ha6 s LEU 15 Ca 0.78 0.23 -0.17 0.00 0.06 0.00 0.00 54.13 55.03 1ha6 s LEU 15 Cb -0.21 -2.90 -0.01 0.00 -0.56 0.00 0.00 46.19 42.50 1ha6 s LEU 15 CO 0.33 0.17 1.18 -2.16 -1.06 0.00 0.00 176.35 174.80 1ha6 s PRO 16 N -2.52 2.75 0.52 1.48 0.04 -1.26 -4.87 135.00 131.14 1ha6 s PRO 16 Ca 0.34 1.70 0.23 0.00 0.04 0.00 0.00 61.00 63.31 1ha6 s PRO 16 Cb -0.13 -1.91 1.26 0.00 0.04 0.00 0.00 34.50 33.76 1ha6 s PRO 16 CO 0.27 -1.35 1.67 0.66 0.04 0.00 0.00 177.00 178.29 1ha6 h SER 17 N 0.42 0.00 -0.01 6.66 4.64 -1.93 0.11 113.55 123.44 1ha6 h SER 17 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ha6 h SER 17 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ha6 h SER 17 CO 0.54 0.00 0.10 0.03 -0.87 0.00 0.00 176.83 176.63 1ha6 h ARG 18 N 0.00 0.00 -0.22 4.77 3.08 -2.00 0.14 114.38 120.14 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ha6 h ARG 18 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1ha6 h ARG 18 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1ha6 n ALA 19 N -2.06 2.33 -2.92 0.04 0.00 0.38 -4.92 120.51 113.36 1ha6 n ALA 19 Ca -0.02 -0.91 -0.39 0.00 0.00 0.00 0.00 53.44 52.12 1ha6 n ALA 19 Cb 0.17 -0.47 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.03 4.45 -0.18 0.00 1.09 0.49 -3.44 121.20 122.58 1ha6 s ILE 20 Ca 0.21 -0.66 -0.07 0.00 -1.10 0.00 0.00 60.65 59.03 1ha6 s ILE 20 Cb 0.12 -3.37 -0.22 0.00 -1.06 0.00 0.00 42.46 37.94 1ha6 s ILE 20 CO 0.17 -0.06 0.14 1.33 -0.10 0.00 0.00 174.94 176.42 1ha6 n VAL 21 N 4.96 1.66 -3.83 2.92 0.24 -1.10 -4.95 118.33 118.22 1ha6 n VAL 21 Ca -0.13 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.53 1ha6 n VAL 21 Cb 0.48 -1.71 -0.11 0.00 -1.47 0.00 0.00 33.84 31.02 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 -5.71 -0.07 0.30 7.63 0.00 -1.00 -5.05 107.32 103.43 1ha6 s GLY 22 Ca -0.28 0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.51 1ha6 s GLY 22 CO 0.68 0.15 0.72 -0.11 0.00 0.00 0.00 173.10 174.54 1ha6 s PHE 23 N -0.53 -0.07 0.16 1.90 -0.71 -1.26 0.30 117.98 117.77 1ha6 s PHE 23 Ca -0.06 -0.44 -0.09 0.00 -1.04 0.00 0.00 56.93 55.30 1ha6 s PHE 23 Cb -0.04 0.70 -0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1ha6 s PHE 23 CO 0.01 -1.30 0.28 0.99 -1.34 0.00 0.00 175.22 173.85 1ha6 s THR 24 N -3.53 0.07 0.19 -4.49 2.01 0.13 -4.99 115.64 105.03 1ha6 s THR 24 Ca 0.13 -1.36 -0.13 0.00 0.31 0.00 0.00 61.69 60.63 1ha6 s THR 24 Cb -0.05 -1.80 -0.07 0.00 0.01 0.00 0.00 72.50 70.58 1ha6 s THR 24 CO 0.08 -0.32 0.57 -0.13 -0.69 0.00 0.00 174.62 174.14 1ha6 s ARG 25 N -3.96 3.95 -0.18 4.92 0.52 -1.26 -1.02 118.95 121.92 1ha6 s ARG 25 Ca 0.16 0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 55.80 1ha6 s ARG 25 Cb 0.03 -2.81 0.06 0.00 0.52 0.00 0.00 34.95 32.75 1ha6 s ARG 25 CO -0.01 0.40 0.06 -1.14 0.02 0.00 0.00 175.30 174.64 1ha6 s GLN 26 N -2.28 0.34 0.42 3.54 0.74 -0.18 -4.81 119.66 117.43 1ha6 s GLN 26 Ca 0.42 -0.23 -0.04 0.00 0.05 0.00 0.00 55.36 55.56 1ha6 s GLN 26 Cb -0.14 -1.92 -0.04 0.00 1.10 0.00 0.00 33.01 32.01 1ha6 s GLN 26 CO 0.20 -0.64 0.70 -1.64 -0.55 0.00 0.00 175.29 173.35 1ha6 s MET 27 N 2.01 3.55 -0.77 1.67 -1.94 -1.26 -0.48 119.30 122.08 1ha6 s MET 27 Ca 0.01 0.06 -0.23 0.00 -1.71 0.00 0.00 55.69 53.82 1ha6 s MET 27 Cb -0.16 -2.48 0.07 0.00 2.01 0.00 0.00 34.83 34.27 1ha6 s MET 27 CO -0.08 -0.06 1.11 0.00 -0.01 0.00 0.00 175.02 175.98 1ha6 s ALA 28 N -2.54 3.05 0.00 3.03 0.00 -1.26 -4.17 121.76 119.87 1ha6 s ALA 28 Ca 0.45 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1ha6 s ALA 28 Cb -0.10 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1ha6 s ALA 28 CO 0.40 -3.02 0.00 -0.25 0.00 0.00 0.00 175.76 172.90 1ha6 n ASP 29 N 7.94 0.00 -2.12 0.00 8.00 0.77 -4.87 116.55 126.27 1ha6 n ASP 29 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1ha6 n ASP 29 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 2.57 0.23 -1.24 2.13 -1.26 -4.72 120.64 118.34 1ha6 n GLU 30 Ca 0.00 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.99 1ha6 n GLU 30 Cb 0.00 0.00 0.78 0.00 0.27 0.00 0.00 31.44 32.49 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 1.69 -2.81 4.31 0.00 -2.01 -3.38 119.26 115.06 1ha6 h ALA 31 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1ha6 h ALA 31 Cb 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1ha6 h ALA 31 CO 0.00 -0.47 -0.50 0.00 0.00 0.00 0.00 179.25 178.28 1ha6 n ASP 33 N 2.23 1.29 -4.25 0.00 -0.08 -1.26 -0.16 116.55 114.32 1ha6 n ASP 33 Ca -0.19 -1.05 -0.20 0.00 -1.51 0.00 0.00 54.79 51.83 1ha6 n ASP 33 Cb 0.54 0.57 -0.12 0.00 2.34 0.00 0.00 41.12 44.46 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 -2.74 1.44 0.06 5.18 -4.36 -1.26 -4.53 121.20 114.98 1ha6 s ILE 34 Ca 0.15 -1.57 -0.30 0.00 -0.26 0.00 0.00 60.65 58.66 1ha6 s ILE 34 Cb 0.17 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.39 1ha6 s ILE 34 CO 0.69 -0.25 1.11 0.20 0.24 0.00 0.00 174.94 176.93 1ha6 s ASN 35 N -2.12 7.21 0.15 4.36 -0.87 -1.26 -4.00 114.94 118.42 1ha6 s ASN 35 Ca 0.06 1.91 -0.11 0.00 -1.57 0.00 0.00 52.86 53.15 1ha6 s ASN 35 Cb -0.08 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1ha6 s ASN 35 CO 0.04 -0.35 0.32 0.00 -2.57 0.00 0.00 177.10 174.54 1ha6 s ALA 36 N 0.81 -0.30 -0.33 0.60 0.00 0.37 -4.04 121.76 118.89 1ha6 s ALA 36 Ca 0.55 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1ha6 s ALA 36 Cb -0.27 0.78 0.08 0.00 0.00 0.00 0.00 23.12 23.71 1ha6 s ALA 36 CO 0.30 -0.65 0.04 0.42 0.00 0.00 0.00 175.76 175.86 1ha6 s ILE 37 N -3.92 2.74 -0.81 0.00 -1.09 0.14 -1.02 121.20 117.25 1ha6 s ILE 37 Ca 0.12 -1.80 -0.25 0.00 -2.23 0.00 0.00 60.65 56.49 1ha6 s ILE 37 Cb 0.03 -2.75 -0.06 0.00 -1.58 0.00 0.00 42.46 38.10 1ha6 s ILE 37 CO -0.03 -0.33 2.04 -0.63 -1.23 0.00 0.00 174.94 174.75 1ha6 s ILE 38 N 1.12 3.33 0.24 2.92 1.09 -0.19 -1.82 121.20 127.89 1ha6 s ILE 38 Ca 0.01 -0.19 -0.14 0.00 -1.10 0.00 0.00 60.65 59.23 1ha6 s ILE 38 Cb -0.20 -3.76 -0.08 0.00 -1.06 0.00 0.00 42.46 37.36 1ha6 s ILE 38 CO -0.04 -0.72 0.64 -0.36 -0.10 0.00 0.00 174.94 174.36 1ha6 s PHE 39 N 10.89 3.49 -0.42 3.97 0.08 0.19 0.17 117.98 136.35 1ha6 s PHE 39 Ca 0.75 1.11 0.02 0.00 0.12 0.00 0.00 56.93 58.93 1ha6 s PHE 39 Cb -0.09 -2.43 0.15 0.00 -0.57 0.00 0.00 43.02 40.07 1ha6 s PHE 39 CO 0.06 0.26 0.28 -1.01 -0.10 0.00 0.00 175.22 174.71 1ha6 s HIS 40 N -1.74 1.38 0.34 0.36 3.76 0.15 0.42 115.29 119.96 1ha6 s HIS 40 Ca 0.47 -2.17 -0.06 0.00 -0.15 0.00 0.00 55.06 53.14 1ha6 s HIS 40 Cb -0.13 -1.31 0.09 0.00 1.11 0.00 0.00 32.58 32.34 1ha6 s HIS 40 CO 0.19 -0.79 0.28 0.25 -0.85 0.00 0.00 174.74 173.82 1ha6 n THR 41 N 3.40 0.00 0.56 1.30 -2.24 -1.14 -2.39 114.28 113.77 1ha6 n THR 41 Ca 0.17 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1ha6 n THR 41 Cb 0.39 -0.90 0.03 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.53 0.29 -2.79 -0.78 0.00 -1.22 -4.44 118.16 106.69 1ha6 n LYS 42 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.33 1ha6 n LYS 42 Cb 0.16 -1.60 0.06 0.00 0.00 0.00 0.00 35.03 33.65 1ha6 n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ha6 n LYS 43 N -1.97 1.57 -3.60 1.64 4.81 -1.26 -5.05 118.16 114.29 1ha6 n LYS 43 Ca 0.02 -3.13 -0.01 0.00 -0.87 0.00 0.00 58.31 54.31 1ha6 n LYS 43 Cb 0.44 -1.25 -0.06 0.00 0.02 0.00 0.00 35.03 34.18 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 -3.09 0.34 1.40 1.64 3.52 -1.26 -5.18 118.95 116.32 1ha6 s ARG 44 Ca 0.25 0.62 -0.23 0.00 -0.13 0.00 0.00 55.73 56.24 1ha6 s ARG 44 Cb 0.36 0.13 0.36 0.00 -1.56 0.00 0.00 34.95 34.24 1ha6 s ARG 44 CO -0.04 -0.08 0.81 1.17 -0.81 0.00 0.00 175.30 176.35 1ha6 n LYS 45 N 3.87 -4.64 -1.68 5.12 4.81 -1.26 -2.90 118.16 121.48 1ha6 n LYS 45 Ca -0.17 -1.37 -0.60 0.00 -0.87 0.00 0.00 58.31 55.30 1ha6 n LYS 45 Cb 0.57 -1.81 -0.08 0.00 0.02 0.00 0.00 35.03 33.73 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 -5.51 1.63 -4.56 3.14 3.41 -1.25 -4.52 113.62 105.96 1ha6 n SER 46 Ca 0.13 1.13 -0.34 0.00 -0.26 0.00 0.00 58.87 59.53 1ha6 n SER 46 Cb 0.56 -1.04 -0.11 0.00 -0.26 0.00 0.00 64.21 63.36 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 2.50 4.03 -0.37 -3.33 1.01 0.17 -4.89 120.40 119.53 1ha6 s VAL 47 Ca 0.97 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 1ha6 s VAL 47 Cb -1.21 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 32.49 1ha6 s VAL 47 CO 0.67 0.53 0.14 0.00 0.00 0.00 0.00 175.10 176.44 1ha6 s ALA 49 N 1.33 2.54 0.20 0.00 0.00 -0.76 0.09 121.76 125.16 1ha6 s ALA 49 Ca 0.01 -1.39 -0.32 0.00 0.00 0.00 0.00 51.96 50.26 1ha6 s ALA 49 Cb -0.21 -1.47 -0.14 0.00 0.00 0.00 0.00 23.12 21.31 1ha6 s ALA 49 CO 0.00 -0.65 1.45 -3.47 0.00 0.00 0.00 175.76 173.09 1ha6 n ASP 50 N 4.62 2.75 -2.07 0.00 2.03 -1.26 0.28 116.55 122.90 1ha6 n ASP 50 Ca -0.18 1.12 -0.06 0.00 0.52 0.00 0.00 54.79 56.19 1ha6 n ASP 50 Cb 0.48 -1.41 -0.09 0.00 -0.72 0.00 0.00 41.12 39.38 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 2.47 1.17 -0.91 -0.67 -0.04 -1.26 -3.86 135.00 131.90 1ha6 n PRO 51 Ca 0.14 -0.52 0.05 0.00 -0.04 0.00 0.00 63.50 63.13 1ha6 n PRO 51 Cb 0.30 -1.69 0.09 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.46 0.62 -4.27 0.54 4.76 -1.26 -4.85 118.16 116.16 1ha6 n LYS 52 Ca 0.22 -2.29 -0.15 0.00 -2.87 0.00 0.00 58.31 53.22 1ha6 n LYS 52 Cb 0.54 -0.73 -0.10 0.00 -1.84 0.00 0.00 35.03 32.90 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 -1.29 1.11 0.14 1.97 -0.21 -1.25 -5.04 119.66 115.09 1ha6 s GLN 53 Ca 0.29 -1.48 -0.09 0.00 0.02 0.00 0.00 55.36 54.10 1ha6 s GLN 53 Cb 0.31 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 33.57 1ha6 s GLN 53 CO -0.09 0.09 1.42 -2.95 -2.12 0.00 0.00 175.29 171.64 1ha6 h ASN 54 N 2.73 0.88 -0.10 5.90 -1.07 -1.97 0.75 115.58 122.71 1ha6 h ASN 54 Ca -0.37 -0.48 -0.06 0.00 0.07 0.00 0.00 56.30 55.45 1ha6 h ASN 54 Cb 1.20 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 37.19 1ha6 h ASN 54 CO 0.63 1.26 -0.19 4.11 0.07 0.00 0.00 177.43 183.31 1ha6 h TRP 55 N 0.60 0.38 0.67 4.14 5.08 -1.97 -1.26 115.95 123.59 1ha6 h TRP 55 Ca 0.01 -0.14 -0.03 0.00 1.08 0.00 0.00 58.89 59.81 1ha6 h TRP 55 Cb 1.17 -0.07 0.01 0.00 -3.00 0.00 0.00 29.16 27.27 1ha6 h TRP 55 CO 0.07 0.80 -0.32 0.28 -1.28 0.00 0.00 178.44 177.98 1ha6 h VAL 56 N -0.15 0.00 -0.99 0.12 2.07 -1.90 -0.90 116.25 114.50 1ha6 h VAL 56 Ca 0.00 -0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.77 1ha6 h VAL 56 Cb 0.78 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1ha6 h VAL 56 CO 0.04 0.00 0.65 0.07 0.02 0.00 0.00 177.57 178.36 1ha6 h LYS 57 N -0.90 0.34 0.15 1.57 2.10 -0.91 0.41 116.57 119.33 1ha6 h LYS 57 Ca -0.09 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 1ha6 h LYS 57 Cb 0.69 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1ha6 h LYS 57 CO 0.15 0.22 -0.07 0.00 -2.00 0.00 0.00 179.45 177.75 1ha6 h ARG 58 N 0.35 -0.19 -0.43 0.07 3.08 -0.84 0.73 114.38 117.14 1ha6 h ARG 58 Ca 0.53 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.56 1ha6 h ARG 58 Cb 1.44 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.51 1ha6 h ARG 58 CO -0.21 0.02 0.14 0.00 -1.07 0.00 0.00 179.97 178.85 1ha6 h ALA 59 N 0.43 0.57 -0.61 0.04 0.00 0.34 -2.19 119.26 117.84 1ha6 h ALA 59 Ca -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ha6 h ALA 59 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ha6 h ALA 59 CO 0.03 0.22 0.30 0.28 0.00 0.00 0.00 179.25 180.07 1ha6 h VAL 60 N 0.56 1.20 0.39 0.00 2.07 -0.24 -2.64 116.25 117.59 1ha6 h VAL 60 Ca 0.14 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1ha6 h VAL 60 Cb 0.26 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ha6 h VAL 60 CO -0.00 0.23 -0.36 -1.13 0.02 0.00 0.00 177.57 176.33 1ha6 h ASN 61 N 0.86 -0.95 -0.98 0.57 -1.24 0.11 0.92 115.58 114.88 1ha6 h ASN 61 Ca 0.21 0.08 0.14 0.00 0.71 0.00 0.00 56.30 57.44 1ha6 h ASN 61 Cb 0.09 0.32 -0.08 0.00 0.73 0.00 0.00 38.32 39.37 1ha6 h ASN 61 CO -0.03 -0.51 0.62 -0.07 -1.29 0.00 0.00 177.43 176.15 1ha6 h LEU 62 N -0.76 0.84 -0.75 0.34 4.07 -1.26 0.10 115.31 117.89 1ha6 h LEU 62 Ca -0.03 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 1ha6 h LEU 62 Cb 0.67 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1ha6 h LEU 62 CO -0.04 0.42 -0.10 0.25 -1.08 0.00 0.00 178.44 177.89 1ha6 h LEU 63 N 0.89 0.83 -2.29 1.67 6.46 -0.99 -2.33 115.31 119.54 1ha6 h LEU 63 Ca 0.50 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 1ha6 h LEU 63 Cb 0.61 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1ha6 h LEU 63 CO -0.27 0.96 0.19 -1.28 -0.62 0.00 0.00 178.44 177.42 1ha6 h SER 64 N 0.76 0.00 0.68 1.25 0.87 0.35 0.86 113.55 118.32 1ha6 h SER 64 Ca 0.13 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.42 1ha6 h SER 64 Cb 0.60 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1ha6 h SER 64 CO 0.04 0.00 -1.43 -0.07 -0.53 0.00 0.00 176.83 174.84 1ha6 h LEU 65 N 0.00 0.03 -5.93 2.23 3.38 -1.13 -3.41 115.31 110.48 1ha6 h LEU 65 Ca 0.07 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.47 1ha6 h LEU 65 Cb 0.45 -0.01 -0.38 0.00 0.09 0.00 0.00 40.66 40.81 1ha6 h LEU 65 CO -0.00 1.04 -1.09 -2.11 0.09 0.00 0.00 178.44 176.37 1ha6 n ARG 66 N -3.19 0.79 -0.42 1.13 1.85 0.11 -4.96 116.66 111.96 1ha6 n ARG 66 Ca -0.11 -3.17 0.00 0.00 -1.00 0.00 0.00 57.85 53.58 1ha6 n ARG 66 Cb 1.01 -1.35 0.16 0.00 -1.05 0.00 0.00 32.46 31.23 1ha6 n ARG 66 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1ha6 n VAL 67 N 1.12 1.36 -3.55 8.89 3.14 0.26 -4.65 118.33 124.89 1ha6 n VAL 67 Ca 0.21 -0.65 -0.16 0.00 -2.96 0.00 0.00 64.34 60.78 1ha6 n VAL 67 Cb 0.57 -0.48 -0.06 0.00 -1.06 0.00 0.00 33.84 32.81 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 -1.70 0.93 0.02 1.45 2.20 -1.26 -5.01 119.74 116.37 1ha6 s LYS 68 Ca 0.24 0.38 0.03 0.00 -0.36 0.00 0.00 55.97 56.26 1ha6 s LYS 68 Cb 0.19 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.93 1ha6 s LYS 68 CO 0.06 -0.26 -0.10 0.21 -0.36 0.00 0.00 175.35 174.90 1ha6 s LYS 69 N -0.86 0.71 0.00 4.03 2.20 -1.26 -5.17 119.74 119.38 1ha6 s LYS 69 Ca -0.07 -0.56 0.28 0.00 -0.36 0.00 0.00 55.97 55.25 1ha6 s LYS 69 Cb -0.01 -0.65 0.98 0.00 -1.51 0.00 0.00 37.83 36.64 1ha6 s LYS 69 CO 0.07 0.16 1.70 -1.33 -0.36 0.00 0.00 175.35 175.59