#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg6 s SER 2 N 0.00 7.21 0.26 7.83 0.01 -1.26 -4.91 113.70 122.83 2hg6 s SER 2 Ca 0.00 2.30 -0.30 0.00 1.31 0.00 0.00 55.95 59.26 2hg6 s SER 2 Cb 0.00 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 2hg6 s SER 2 CO 0.00 -0.19 1.28 -0.63 0.41 0.00 0.00 173.24 174.12 2hg6 s ILE 3 N -1.18 3.06 0.63 1.44 -1.09 -1.26 -4.98 121.20 117.81 2hg6 s ILE 3 Ca 0.45 0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 59.81 2hg6 s ILE 3 Cb -0.32 -3.61 0.13 0.00 -1.58 0.00 0.00 42.46 37.08 2hg6 s ILE 3 CO 0.42 0.18 0.87 0.35 -1.23 0.00 0.00 174.94 175.53 2hg6 n THR 4 N 1.80 0.00 -0.96 2.92 -2.24 -1.26 -5.11 114.28 109.43 2hg6 n THR 4 Ca 0.03 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 2hg6 n THR 4 Cb 0.43 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2hg6 n THR 4 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hg6 n SER 5 N -3.01 -0.05 0.19 3.42 2.88 -1.26 -4.82 113.62 110.97 2hg6 n SER 5 Ca 0.14 -0.96 0.17 0.00 -1.33 0.00 0.00 58.87 56.89 2hg6 n SER 5 Cb 0.49 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.62 2hg6 n SER 5 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2hg6 h THR 6 N -1.01 0.14 -0.67 2.46 2.02 -2.03 -0.68 112.91 113.13 2hg6 h THR 6 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 2hg6 h THR 6 Cb 0.00 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2hg6 h THR 6 CO 0.00 0.00 0.54 0.44 0.37 0.00 0.00 175.52 176.87 2hg6 h ASP 7 N 0.00 0.00 -0.76 4.18 5.19 -2.00 -0.55 116.42 122.49 2hg6 h ASP 7 Ca 0.12 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 2hg6 h ASP 7 Cb 1.19 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.65 2hg6 h ASP 7 CO -0.00 0.00 0.50 -0.29 -3.12 0.00 0.00 179.24 176.33 2hg6 h ILE 8 N 0.00 1.09 -0.01 0.35 2.10 -1.43 0.21 117.51 119.81 2hg6 h ILE 8 Ca 0.32 -0.31 -0.21 0.00 1.08 0.00 0.00 64.86 65.74 2hg6 h ILE 8 Cb 1.40 0.12 -0.00 0.00 -1.09 0.00 0.00 36.82 37.25 2hg6 h ILE 8 CO -0.00 0.16 -0.88 0.00 -1.08 0.00 0.00 178.15 176.35 2hg6 h GLN 10 N 0.20 0.77 0.00 0.00 1.08 -1.24 -3.14 115.11 112.78 2hg6 h GLN 10 Ca -0.06 -0.70 0.00 0.00 -1.45 0.00 0.00 58.65 56.44 2hg6 h GLN 10 Cb 1.50 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.10 2hg6 h GLN 10 CO 0.15 1.29 0.00 0.00 -0.95 0.00 0.00 178.83 179.32 2hg6 h ALA 11 N 0.49 1.00 0.00 3.87 0.00 -0.71 -1.76 119.26 122.15 2hg6 h ALA 11 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2hg6 h ALA 11 Cb 1.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2hg6 h ALA 11 CO 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.28 2hg6 h ALA 12 N 2.19 1.15 -0.01 0.00 0.00 -1.56 -1.45 119.26 119.57 2hg6 h ALA 12 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hg6 h ALA 12 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2hg6 h ALA 12 CO 0.00 0.19 -0.08 -3.47 0.00 0.00 0.00 179.25 175.90 2hg6 n ASP 13 N -3.48 1.45 -0.71 0.00 2.03 -0.66 -3.80 116.55 111.37 2hg6 n ASP 13 Ca -0.01 -1.36 0.10 0.00 0.52 0.00 0.00 54.79 54.05 2hg6 n ASP 13 Cb 0.31 0.04 0.32 0.00 -0.72 0.00 0.00 41.12 41.07 2hg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hg6 n ALA 14 N 0.00 2.49 -1.95 -1.67 0.00 -0.55 -4.87 120.51 113.96 2hg6 n ALA 14 Ca 0.17 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 2hg6 n ALA 14 Cb 0.37 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 2hg6 n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hg6 s LEU 15 N -1.50 4.60 0.17 0.00 1.02 -1.25 -4.88 118.68 116.85 2hg6 s LEU 15 Ca 0.33 1.71 0.10 0.00 0.02 0.00 0.00 54.13 56.29 2hg6 s LEU 15 Cb 0.18 -3.37 -0.04 0.00 0.02 0.00 0.00 46.19 42.98 2hg6 s LEU 15 CO 0.27 0.18 -0.22 -1.59 0.02 0.00 0.00 176.35 175.01 2hg6 s LYS 16 N -1.08 1.38 0.00 1.70 -2.85 -0.99 -4.07 119.74 113.83 2hg6 s LYS 16 Ca 0.37 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 2hg6 s LYS 16 Cb -0.24 -1.62 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 2hg6 s LYS 16 CO 0.28 0.35 0.00 0.41 0.10 0.00 0.00 175.35 176.49 2hg6 n GLY 17 N 0.44 2.22 3.55 0.59 0.00 -1.26 -4.69 105.19 106.04 2hg6 n GLY 17 Ca -0.14 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 2hg6 n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hg6 s PHE 18 N -2.53 2.75 -0.18 1.61 0.08 -0.89 -0.78 117.98 118.04 2hg6 s PHE 18 Ca 0.00 -0.14 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 2hg6 s PHE 18 Cb 0.00 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 2hg6 s PHE 18 CO 0.00 0.36 0.04 0.08 -0.10 0.00 0.00 175.22 175.59 2hg6 s VAL 19 N -1.05 4.50 0.00 -0.44 1.01 0.12 -0.02 120.40 124.51 2hg6 s VAL 19 Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2hg6 s VAL 19 Cb -0.11 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2hg6 s VAL 19 CO 0.09 0.46 0.17 -0.83 0.00 0.00 0.00 175.10 174.98 2hg6 s GLY 20 N 0.51 0.02 -0.35 4.51 0.00 0.78 -0.66 107.32 112.12 2hg6 s GLY 20 Ca 0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.46 2hg6 s GLY 20 CO 0.01 -0.24 0.54 -0.12 0.00 0.00 0.00 173.10 173.29 2hg6 s PHE 21 N -1.51 3.17 0.07 1.90 5.36 -1.26 -0.40 117.98 125.31 2hg6 s PHE 21 Ca -0.14 0.22 -0.22 0.00 -0.96 0.00 0.00 56.93 55.83 2hg6 s PHE 21 Cb -0.07 -2.97 -0.06 0.00 -0.34 0.00 0.00 43.02 39.58 2hg6 s PHE 21 CO 0.01 -0.56 0.65 0.54 -1.46 0.00 0.00 175.22 174.41 2hg6 s ASN 22 N 1.76 7.14 0.00 6.13 2.20 -0.34 -4.94 114.94 126.89 2hg6 s ASN 22 Ca 0.20 1.35 0.23 0.00 -0.94 0.00 0.00 52.86 53.70 2hg6 s ASN 22 Cb -0.15 -2.41 0.57 0.00 -2.00 0.00 0.00 41.25 37.26 2hg6 s ASN 22 CO 0.14 0.18 1.47 -2.11 -2.94 0.00 0.00 177.10 173.83 2hg6 n ARG 23 N 2.12 2.11 -0.11 3.55 1.85 -1.26 -1.45 116.66 123.46 2hg6 n ARG 23 Ca -0.07 -1.65 -0.11 0.00 -1.00 0.00 0.00 57.85 55.02 2hg6 n ARG 23 Cb 0.50 -1.46 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 2hg6 n ARG 23 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2hg6 h LYS 24 N 3.47 0.62 0.00 2.89 1.79 -1.96 -3.38 116.57 120.00 2hg6 h LYS 24 Ca 0.00 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2hg6 h LYS 24 Cb 0.75 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2hg6 h LYS 24 CO 0.00 0.78 0.00 -2.37 -1.08 0.00 0.00 179.45 176.78 2hg6 n THR 25 N -4.46 0.00 -2.09 -0.16 5.66 -1.26 -5.05 114.28 106.92 2hg6 n THR 25 Ca -0.02 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2hg6 n THR 25 Cb 0.31 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 2hg6 n THR 25 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hg6 n GLY 26 N 0.42 0.72 3.25 1.09 0.00 -0.53 -5.08 105.19 105.06 2hg6 n GLY 26 Ca 0.00 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 2hg6 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hg6 s ARG 27 N -4.14 1.02 -0.54 1.61 1.81 -1.14 -4.95 118.95 112.63 2hg6 s ARG 27 Ca 0.00 -1.12 -0.22 0.00 -1.72 0.00 0.00 55.73 52.67 2hg6 s ARG 27 Cb 0.00 -1.15 0.05 0.00 -0.45 0.00 0.00 34.95 33.41 2hg6 s ARG 27 CO 0.00 0.26 0.81 -0.47 -0.68 0.00 0.00 175.30 175.21 2hg6 s TYR 28 N -1.37 2.90 0.36 -0.53 5.04 -1.26 -1.20 117.35 121.28 2hg6 s TYR 28 Ca 0.05 -0.28 0.09 0.00 -2.44 0.00 0.00 57.07 54.48 2hg6 s TYR 28 Cb -0.09 -3.86 -0.06 0.00 0.35 0.00 0.00 41.96 38.30 2hg6 s TYR 28 CO 0.04 -1.23 0.00 0.96 -1.34 0.00 0.00 175.55 173.98 2hg6 s ILE 29 N 3.38 2.38 -0.02 3.14 -5.25 0.46 -4.93 121.20 120.36 2hg6 s ILE 29 Ca 0.23 -2.01 0.06 0.00 -0.99 0.00 0.00 60.65 57.94 2hg6 s ILE 29 Cb -0.16 -2.81 -0.03 0.00 2.95 0.00 0.00 42.46 42.41 2hg6 s ILE 29 CO 0.15 -0.14 -0.19 0.68 -1.79 0.00 0.00 174.94 173.66 2hg6 s VAL 30 N -2.59 2.71 -0.29 8.37 -7.23 -1.26 -0.16 120.40 119.96 2hg6 s VAL 30 Ca 0.35 -0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 59.38 2hg6 s VAL 30 Cb 0.03 -2.05 0.13 0.00 0.56 0.00 0.00 36.38 35.05 2hg6 s VAL 30 CO 0.19 0.52 0.96 -0.60 -0.31 0.00 0.00 175.10 175.86 2hg6 s ARG 31 N -0.88 0.45 -0.48 4.82 6.06 0.97 -4.96 118.95 124.93 2hg6 s ARG 31 Ca 0.12 0.70 -0.01 0.00 -2.50 0.00 0.00 55.73 54.03 2hg6 s ARG 31 Cb -0.10 0.13 0.33 0.00 0.06 0.00 0.00 34.95 35.37 2hg6 s ARG 31 CO 0.01 -0.08 2.03 1.97 -2.50 0.00 0.00 175.30 176.73 2hg6 n PHE 32 N 3.34 2.35 -3.53 5.12 -1.74 -1.26 -2.09 117.46 119.64 2hg6 n PHE 32 Ca -0.17 -2.47 -0.22 0.00 -0.56 0.00 0.00 57.45 54.03 2hg6 n PHE 32 Cb 0.57 -1.19 -0.14 0.00 1.52 0.00 0.00 39.48 40.24 2hg6 n PHE 32 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2hg6 s SER 33 N -0.78 1.86 0.47 5.98 0.15 -1.26 -4.92 113.70 115.19 2hg6 s SER 33 Ca 0.47 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.92 2hg6 s SER 33 Cb 0.37 0.12 1.15 0.00 -1.71 0.00 0.00 66.02 65.94 2hg6 s SER 33 CO -0.01 -0.34 1.94 -0.33 1.20 0.00 0.00 173.24 175.70 2hg6 h GLU 34 N 8.36 0.00 0.00 5.44 3.07 -2.01 -2.70 114.58 126.73 2hg6 h GLU 34 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2hg6 h GLU 34 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2hg6 h GLU 34 CO 0.29 0.20 0.00 -3.47 -1.40 0.00 0.00 179.01 174.64 2hg6 n ASP 35 N -3.60 0.01 0.26 1.42 2.03 -1.26 -2.99 116.55 112.42 2hg6 n ASP 35 Ca -0.01 0.50 0.11 0.00 0.52 0.00 0.00 54.79 55.91 2hg6 n ASP 35 Cb 0.34 -0.50 0.70 0.00 -0.72 0.00 0.00 41.12 40.93 2hg6 n ASP 35 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2hg6 h SER 36 N 0.00 0.00 0.00 1.67 4.64 -1.91 -3.34 113.55 114.60 2hg6 h SER 36 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hg6 h SER 36 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2hg6 h SER 36 CO 0.00 0.09 -0.31 0.49 -0.87 0.00 0.00 176.83 176.23 2hg6 n PHE 37 N -4.01 0.00 0.00 4.77 3.72 -1.16 -5.03 117.46 115.75 2hg6 n PHE 37 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2hg6 n PHE 37 Cb 0.18 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2hg6 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hg6 n GLY 38 N 2.35 1.58 0.30 1.37 0.00 -1.23 -3.00 105.19 106.56 2hg6 n GLY 38 Ca -0.04 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.69 2hg6 n GLY 38 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2hg6 n MET 39 N 0.80 1.00 -0.05 1.61 0.00 -1.26 -4.09 117.12 115.14 2hg6 n MET 39 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 57.70 56.94 2hg6 n MET 39 Cb 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 33.22 31.66 2hg6 n MET 39 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 2hg6 h ASP 40 N 1.49 0.60 -3.43 3.17 3.58 -1.94 -3.44 116.42 116.45 2hg6 h ASP 40 Ca 0.00 -0.58 -0.40 0.00 0.42 0.00 0.00 57.03 56.47 2hg6 h ASP 40 Cb 0.53 -0.17 -0.35 0.00 1.72 0.00 0.00 39.33 41.06 2hg6 h ASP 40 CO 0.00 1.08 -0.77 -0.69 -2.88 0.00 0.00 179.24 175.98 2hg6 s VAL 41 N -3.91 0.43 0.51 2.25 1.01 -1.26 -4.89 120.40 114.55 2hg6 s VAL 41 Ca -0.13 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2hg6 s VAL 41 Cb 0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 2hg6 s VAL 41 CO 0.81 0.21 1.30 0.00 0.00 0.00 0.00 175.10 177.43 2hg6 s ALA 42 N 1.11 2.90 -1.17 5.51 0.00 -1.26 -4.40 121.76 124.44 2hg6 s ALA 42 Ca -0.08 1.22 0.22 0.00 0.00 0.00 0.00 51.96 53.32 2hg6 s ALA 42 Cb -0.14 -3.51 0.99 0.00 0.00 0.00 0.00 23.12 20.46 2hg6 s ALA 42 CO -0.01 -1.14 1.70 -0.40 0.00 0.00 0.00 175.76 175.90 2hg6 n ASP 43 N -0.80 0.00 0.23 0.00 5.75 -1.26 -1.53 116.55 118.94 2hg6 n ASP 43 Ca 0.09 0.29 0.12 0.00 -0.01 0.00 0.00 54.79 55.29 2hg6 n ASP 43 Cb 0.46 -0.42 0.27 0.00 -1.03 0.00 0.00 41.12 40.40 2hg6 n ASP 43 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2hg6 h ASP 44 N 0.00 0.00 1.51 -1.12 2.03 -2.02 -2.80 116.42 114.02 2hg6 h ASP 44 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2hg6 h ASP 44 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 2hg6 h ASP 44 CO 0.00 0.03 -0.30 -1.28 -1.03 0.00 0.00 179.24 176.67 2hg6 h SER 45 N 0.00 0.00 -3.56 4.15 0.87 -1.65 -3.43 113.55 109.94 2hg6 h SER 45 Ca -0.00 -0.03 -0.62 0.00 -1.23 0.00 0.00 61.79 59.90 2hg6 h SER 45 Cb 0.92 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.75 2hg6 h SER 45 CO 0.00 0.02 0.10 -0.63 -0.53 0.00 0.00 176.83 175.79 2hg6 s ILE 46 N -3.21 4.95 -0.13 2.23 1.01 -1.06 -4.41 121.20 120.59 2hg6 s ILE 46 Ca 0.06 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.46 2hg6 s ILE 46 Cb 0.09 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.58 2hg6 s ILE 46 CO 0.69 -0.16 -0.18 -0.89 0.00 0.00 0.00 174.94 174.39 2hg6 s THR 47 N 2.57 1.77 0.16 2.92 2.01 0.17 -4.91 115.64 120.31 2hg6 s THR 47 Ca 0.24 -0.80 -0.34 0.00 0.31 0.00 0.00 61.69 61.10 2hg6 s THR 47 Cb -0.15 -1.59 -0.15 0.00 0.01 0.00 0.00 72.50 70.62 2hg6 s THR 47 CO 0.12 0.49 1.38 -2.65 -0.69 0.00 0.00 174.62 173.28 2hg6 n PRO 48 N 4.18 1.60 0.27 4.92 -0.02 -1.26 0.10 135.00 144.80 2hg6 n PRO 48 Ca -0.19 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 2hg6 n PRO 48 Cb 0.51 -2.22 0.76 0.00 -0.02 0.00 0.00 33.50 32.53 2hg6 n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hg6 h THR 49 N 3.21 0.60 0.00 3.45 1.03 -1.27 0.35 112.91 120.28 2hg6 h THR 49 Ca -0.45 -0.38 -0.06 0.00 -0.01 0.00 0.00 66.41 65.51 2hg6 h THR 49 Cb 1.30 1.24 -0.01 0.00 -1.07 0.00 0.00 68.15 69.61 2hg6 h THR 49 CO 0.79 0.09 -0.28 0.77 -0.01 0.00 0.00 175.52 176.87 2hg6 h SER 50 N 0.00 0.00 0.27 0.00 4.64 -1.79 -2.93 113.55 113.73 2hg6 h SER 50 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2hg6 h SER 50 Cb 0.23 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 2hg6 h SER 50 CO 0.01 0.28 -1.91 1.21 -0.87 0.00 0.00 176.83 175.55 2hg6 n GLU 51 N -3.38 0.66 -0.16 4.77 2.13 -0.06 -4.34 120.64 120.25 2hg6 n GLU 51 Ca 0.00 0.03 0.01 0.00 0.66 0.00 0.00 57.16 57.86 2hg6 n GLU 51 Cb 0.49 -1.63 0.28 0.00 0.27 0.00 0.00 31.44 30.85 2hg6 n GLU 51 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2hg6 h PHE 52 N 0.00 0.85 0.00 4.31 3.57 -0.23 -1.35 116.94 124.09 2hg6 h PHE 52 Ca -0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2hg6 h PHE 52 Cb 1.65 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2hg6 h PHE 52 CO 0.00 0.55 0.00 -0.39 -2.23 0.00 0.00 178.31 176.24 2hg6 h VAL 53 N 0.90 0.00 -3.72 1.41 -1.51 -1.73 -3.40 116.25 108.20 2hg6 h VAL 53 Ca 0.24 -0.45 -0.66 0.00 -1.23 0.00 0.00 66.70 64.60 2hg6 h VAL 53 Cb -0.07 1.40 -0.17 0.00 -2.13 0.00 0.00 31.29 30.32 2hg6 h VAL 53 CO -0.05 0.00 -0.37 0.26 -1.23 0.00 0.00 177.57 176.18 2hg6 s TRP 54 N -3.61 3.22 -0.35 5.19 0.52 -0.51 -0.92 118.94 122.48 2hg6 s TRP 54 Ca 0.02 -0.01 -0.11 0.00 0.02 0.00 0.00 56.10 56.01 2hg6 s TRP 54 Cb 0.09 -2.56 0.01 0.00 -1.15 0.00 0.00 33.47 29.86 2hg6 s TRP 54 CO 0.51 -0.35 0.20 0.45 0.02 0.00 0.00 176.95 177.79 2hg6 s SER 55 N 1.72 5.76 -0.18 2.95 0.15 0.72 -4.84 113.70 119.99 2hg6 s SER 55 Ca 0.10 -0.75 -0.29 0.00 0.70 0.00 0.00 55.95 55.70 2hg6 s SER 55 Cb -0.17 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 2hg6 s SER 55 CO 0.11 -0.31 1.58 -0.55 1.20 0.00 0.00 173.24 175.27 2hg6 s SER 56 N 1.61 6.52 0.00 5.45 0.15 -1.26 -0.02 113.70 126.14 2hg6 s SER 56 Ca 0.04 1.76 0.01 0.00 0.70 0.00 0.00 55.95 58.45 2hg6 s SER 56 Cb -0.18 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.61 2hg6 s SER 56 CO 0.07 -1.12 0.99 1.33 1.20 0.00 0.00 173.24 175.72 2hg6 n VAL 57 N 6.07 0.96 -2.43 4.45 0.24 -1.02 -4.97 118.33 121.64 2hg6 n VAL 57 Ca 0.18 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 2hg6 n VAL 57 Cb 0.45 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 2hg6 n VAL 57 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2hg6 n ARG 58 N -0.43 0.00 0.35 7.34 0.63 -1.22 -5.03 116.66 118.30 2hg6 n ARG 58 Ca 0.01 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.80 2hg6 n ARG 58 Cb 0.25 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.09 2hg6 n ARG 58 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2hg6 h ASP 59 N 0.00 -0.81 0.00 6.15 3.58 -2.03 -3.38 116.42 119.93 2hg6 h ASP 59 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2hg6 h ASP 59 Cb 0.00 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2hg6 h ASP 59 CO 0.00 -0.55 -0.10 0.47 -2.88 0.00 0.00 179.24 176.18 2hg6 n ASP 60 N -4.50 1.33 -4.37 2.28 8.00 -1.26 -5.04 116.55 112.99 2hg6 n ASP 60 Ca -0.11 -2.13 -0.33 0.00 0.71 0.00 0.00 54.79 52.92 2hg6 n ASP 60 Cb 0.36 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 2hg6 n ASP 60 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hg6 s VAL 61 N -1.18 2.99 -0.08 2.53 0.11 -1.26 -3.00 120.40 120.50 2hg6 s VAL 61 Ca 0.10 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 2hg6 s VAL 61 Cb 0.08 -2.24 -0.02 0.00 -1.53 0.00 0.00 36.38 32.67 2hg6 s VAL 61 CO 0.01 0.53 -0.18 -0.04 -3.33 0.00 0.00 175.10 172.09 2hg6 s MET 62 N 0.30 2.81 -0.11 1.54 -1.94 0.25 -2.44 119.30 119.72 2hg6 s MET 62 Ca -0.11 -0.78 -0.13 0.00 -1.71 0.00 0.00 55.69 52.97 2hg6 s MET 62 Cb -0.16 -2.37 -0.05 0.00 2.01 0.00 0.00 34.83 34.26 2hg6 s MET 62 CO 0.06 0.40 0.30 -0.98 -0.01 0.00 0.00 175.02 174.78 2hg6 s ARG 63 N -0.16 4.01 -0.34 2.03 1.70 0.97 -0.63 118.95 126.53 2hg6 s ARG 63 Ca -0.02 0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 55.10 2hg6 s ARG 63 Cb -0.14 -3.32 -0.00 0.00 -0.57 0.00 0.00 34.95 30.92 2hg6 s ARG 63 CO 0.04 0.47 1.49 -1.17 -1.08 0.00 0.00 175.30 175.05 2hg6 s LEU 64 N -0.25 3.68 -0.34 -1.89 1.98 0.10 -0.20 118.68 121.76 2hg6 s LEU 64 Ca 0.18 1.12 -0.15 0.00 -2.89 0.00 0.00 54.13 52.39 2hg6 s LEU 64 Cb -0.14 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.16 2hg6 s LEU 64 CO 0.07 -1.38 0.37 -0.83 -1.89 0.00 0.00 176.35 172.69 2hg6 s GLY 65 N 4.13 1.90 0.53 7.98 0.00 -0.10 -4.36 107.32 117.39 2hg6 s GLY 65 Ca 0.65 -1.20 0.33 0.00 0.00 0.00 0.00 44.72 44.51 2hg6 s GLY 65 CO 0.30 1.02 1.99 0.07 0.00 0.00 0.00 173.10 176.48 2hg6 h ARG 66 N 8.47 0.00 0.00 2.90 0.11 -1.94 -2.40 114.38 121.53 2hg6 h ARG 66 Ca -0.30 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 2hg6 h ARG 66 Cb 1.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 2hg6 h ARG 66 CO 0.70 0.00 -0.03 1.05 0.10 0.00 0.00 179.97 181.80 2hg6 h GLU 67 N 0.00 0.00 -0.31 0.08 9.09 -1.96 -1.78 114.58 119.70 2hg6 h GLU 67 Ca 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.24 2hg6 h GLU 67 Cb 0.45 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.54 2hg6 h GLU 67 CO 0.00 0.03 -0.47 1.96 0.05 0.00 0.00 179.01 180.58 2hg6 h GLN 68 N 0.00 0.82 0.00 1.06 1.08 -1.79 -2.84 115.11 113.44 2hg6 h GLN 68 Ca -0.00 -0.47 -0.07 0.00 -1.45 0.00 0.00 58.65 56.65 2hg6 h GLN 68 Cb 0.07 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2hg6 h GLN 68 CO 0.00 1.11 -0.35 -0.07 -0.95 0.00 0.00 178.83 178.57 2hg6 h LEU 69 N 0.65 0.00 -1.22 1.46 4.07 -1.47 -1.89 115.31 116.91 2hg6 h LEU 69 Ca 0.03 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 2hg6 h LEU 69 Cb 1.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 2hg6 h LEU 69 CO 0.10 0.35 -0.15 1.56 -1.08 0.00 0.00 178.44 179.23 2hg6 h GLN 70 N 0.00 0.36 -0.22 1.13 1.08 -1.29 0.20 115.11 116.37 2hg6 h GLN 70 Ca -0.00 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 56.98 2hg6 h GLN 70 Cb 0.66 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2hg6 h GLN 70 CO 0.05 0.51 -0.33 0.82 -0.95 0.00 0.00 178.83 178.92 2hg6 h ILE 71 N 0.33 1.32 -0.29 2.54 2.04 -1.26 -2.14 117.51 120.05 2hg6 h ILE 71 Ca 0.06 -1.53 -0.03 0.00 1.00 0.00 0.00 64.86 64.36 2hg6 h ILE 71 Cb 0.46 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2hg6 h ILE 71 CO 0.03 0.48 0.04 -0.07 0.00 0.00 0.00 178.15 178.63 2hg6 h LEU 72 N 0.31 0.38 -1.57 1.44 3.38 -1.12 -1.22 115.31 116.91 2hg6 h LEU 72 Ca 0.02 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2hg6 h LEU 72 Cb 0.91 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2hg6 h LEU 72 CO 0.08 0.42 -0.22 0.25 0.09 0.00 0.00 178.44 179.06 2hg6 h LEU 73 N 0.41 0.00 -0.40 1.67 5.85 -0.36 0.72 115.31 123.20 2hg6 h LEU 73 Ca 0.10 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 2hg6 h LEU 73 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2hg6 h LEU 73 CO 0.00 0.22 -0.75 -0.33 -0.34 0.00 0.00 178.44 177.24 2hg6 h GLU 74 N 0.00 0.36 -0.56 1.25 4.39 -0.56 -2.83 114.58 116.63 2hg6 h GLU 74 Ca -0.00 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.31 2hg6 h GLU 74 Cb 0.50 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2hg6 h GLU 74 CO 0.03 0.96 0.03 1.96 -1.16 0.00 0.00 179.01 180.82 2hg6 h GLN 75 N 0.24 0.97 0.00 2.33 1.08 -1.03 -3.46 115.11 115.24 2hg6 h GLN 75 Ca -0.03 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 2hg6 h GLN 75 Cb 1.33 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2hg6 h GLN 75 CO 0.13 0.96 0.00 -1.71 -0.95 0.00 0.00 178.83 177.26 2hg6 n ASN 76 N -4.27 0.00 -4.08 1.46 2.85 0.17 -4.90 115.26 106.50 2hg6 n ASN 76 Ca 0.02 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.07 2hg6 n ASN 76 Cb 0.32 -0.11 -0.00 0.00 1.24 0.00 0.00 39.78 41.23 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2hg6 n ILE 77 N -1.98 3.58 -0.20 -1.44 -6.64 -1.26 -4.74 119.36 106.68 2hg6 n ILE 77 Ca 0.00 -3.39 -0.03 0.00 -1.77 0.00 0.00 62.75 57.55 2hg6 n ILE 77 Cb 0.00 -2.49 0.16 0.00 -1.44 0.00 0.00 39.64 35.86 2hg6 n ILE 77 CO 0.00 0.00 0.00 -1.13 -1.77 0.00 0.00 176.55 173.65 2hg6 h ASN 78 N 6.73 0.90 1.08 7.28 -0.73 -1.90 -1.22 115.58 127.71 2hg6 h ASN 78 Ca 0.51 -0.13 -0.19 0.00 1.87 0.00 0.00 56.30 58.36 2hg6 h ASN 78 Cb 0.74 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 39.07 2hg6 h ASN 78 CO 1.71 0.82 -0.93 -0.33 -0.37 0.00 0.00 177.43 178.33 2hg6 h GLU 79 N 0.95 0.00 0.04 6.67 5.08 -1.94 0.11 114.58 125.50 2hg6 h GLU 79 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2hg6 h GLU 79 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2hg6 h GLU 79 CO -0.02 0.88 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.76 2hg6 h ARG 80 N 0.00 -0.06 0.00 2.33 9.65 -1.88 -3.26 114.38 121.16 2hg6 h ARG 80 Ca -0.02 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 2hg6 h ARG 80 Cb 1.70 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.28 2hg6 h ARG 80 CO 0.11 0.55 -0.62 1.25 2.80 0.00 0.00 179.97 184.07 2hg6 h LEU 81 N -0.74 0.00 -2.53 3.80 7.12 -1.34 -3.48 115.31 118.14 2hg6 h LEU 81 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2hg6 h LEU 81 Cb 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2hg6 h LEU 81 CO 0.01 0.62 -0.33 -3.20 -0.13 0.00 0.00 178.44 175.41 2hg6 n ASN 82 N -3.72 -5.90 -4.70 1.25 5.15 0.33 -2.35 115.26 105.32 2hg6 n ASN 82 Ca -0.01 0.36 -0.37 0.00 -0.60 0.00 0.00 54.58 53.96 2hg6 n ASN 82 Cb 0.63 -3.88 -0.07 0.00 -0.53 0.00 0.00 39.78 35.93 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2hg6 s ILE 83 N -2.04 5.24 0.60 -1.44 1.09 -0.89 -4.12 121.20 119.64 2hg6 s ILE 83 Ca 0.16 0.69 -0.19 0.00 -1.10 0.00 0.00 60.65 60.21 2hg6 s ILE 83 Cb -0.05 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 2hg6 s ILE 83 CO 0.50 0.31 1.24 0.61 -0.10 0.00 0.00 174.94 177.51 2hg6 n GLY 84 N 3.63 0.43 0.31 6.18 0.00 -1.26 -4.90 105.19 109.57 2hg6 n GLY 84 Ca -0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2hg6 n GLY 84 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hg6 h GLU 85 N 0.83 1.04 0.00 1.61 4.11 -1.97 -1.75 114.58 118.45 2hg6 h GLU 85 Ca -0.50 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 58.62 2hg6 h GLU 85 Cb 1.33 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2hg6 h GLU 85 CO 0.54 1.00 0.00 -1.00 0.07 0.00 0.00 179.01 179.61 2hg6 h PRO 86 N 0.96 0.00 0.04 1.06 0.13 -1.93 -1.59 132.00 130.67 2hg6 h PRO 86 Ca 0.18 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.08 2hg6 h PRO 86 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2hg6 h PRO 86 CO 0.02 0.00 -1.01 -0.07 -0.23 0.00 0.00 178.00 176.72 2hg6 h LEU 87 N 0.00 0.41 -0.64 1.56 -0.00 -1.62 -2.67 115.31 112.36 2hg6 h LEU 87 Ca 0.00 -0.36 -0.12 0.00 -0.00 0.00 0.00 57.88 57.40 2hg6 h LEU 87 Cb 0.24 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 2hg6 h LEU 87 CO 0.00 1.20 -0.17 -0.07 -0.00 0.00 0.00 178.44 179.39 2hg6 h LEU 88 N 0.15 0.90 -0.66 1.67 3.38 -0.99 -1.47 115.31 118.29 2hg6 h LEU 88 Ca -0.08 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 2hg6 h LEU 88 Cb 1.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2hg6 h LEU 88 CO 0.17 1.06 -0.57 -0.37 0.09 0.00 0.00 178.44 178.81 2hg6 h VAL 89 N 0.78 1.37 -0.41 1.22 -1.51 -1.55 -2.86 116.25 113.29 2hg6 h VAL 89 Ca 0.11 -1.89 -0.08 0.00 -1.23 0.00 0.00 66.70 63.61 2hg6 h VAL 89 Cb 0.71 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.78 2hg6 h VAL 89 CO 0.05 0.57 -0.08 0.22 -1.23 0.00 0.00 177.57 177.10 2hg6 h TYR 90 N 0.22 0.75 0.00 5.19 3.20 -1.18 0.13 116.97 125.27 2hg6 h TYR 90 Ca -0.00 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2hg6 h TYR 90 Cb 1.07 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 2hg6 h TYR 90 CO 0.02 0.75 -0.08 1.25 -1.64 0.00 0.00 178.16 178.47 2hg6 h LEU 91 N 0.64 0.00 0.00 2.82 6.46 -1.05 -3.17 115.31 121.01 2hg6 h LEU 91 Ca 0.12 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.82 2hg6 h LEU 91 Cb 0.51 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2hg6 h LEU 91 CO 0.03 0.08 -0.62 0.03 -0.62 0.00 0.00 178.44 177.33 2hg6 h ARG 92 N 0.00 0.00 -3.80 1.25 2.47 -1.16 -3.49 114.38 109.65 2hg6 h ARG 92 Ca -0.00 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 2hg6 h ARG 92 Cb 0.30 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.43 2hg6 h ARG 92 CO 0.01 0.30 -0.57 0.50 0.56 0.00 0.00 179.97 180.77 2hg6 s ARG 93 N -2.19 0.49 0.00 0.04 3.52 0.35 -5.12 118.95 116.04 2hg6 s ARG 93 Ca -0.17 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 54.80 2hg6 s ARG 93 Cb 0.03 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2hg6 s ARG 93 CO 0.31 -0.11 -0.07 1.14 -0.81 0.00 0.00 175.30 175.75 2hg6 s GLN 94 N -2.09 0.56 0.04 5.12 0.00 -1.26 -3.82 119.66 118.20 2hg6 s GLN 94 Ca -0.09 -0.34 0.21 0.00 -0.00 0.00 0.00 55.36 55.14 2hg6 s GLN 94 Cb -0.04 -0.51 -0.21 0.00 0.00 0.00 0.00 33.01 32.24 2hg6 s GLN 94 CO -0.02 0.14 0.65 -0.40 0.00 0.00 0.00 175.29 175.65 2hg6 n ASP 95 N 2.65 0.34 -4.21 12.60 5.68 -1.26 -4.76 116.55 127.60 2hg6 n ASP 95 Ca -0.15 0.13 -0.34 0.00 -0.50 0.00 0.00 54.79 53.93 2hg6 n ASP 95 Cb 0.57 1.28 -0.14 0.00 -1.14 0.00 0.00 41.12 41.69 2hg6 n ASP 95 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2hg6 s LEU 96 N -4.97 3.15 0.25 -2.12 1.43 -1.26 -5.02 118.68 110.15 2hg6 s LEU 96 Ca -0.05 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 2hg6 s LEU 96 Cb 0.12 -1.66 0.50 0.00 0.03 0.00 0.00 46.19 45.17 2hg6 s LEU 96 CO 0.86 -0.12 1.72 -0.65 0.23 0.00 0.00 176.35 178.39 2hg6 h PRO 97 N 8.02 0.41 -3.66 1.29 0.11 -2.02 -3.38 132.00 132.77 2hg6 h PRO 97 Ca -0.34 -0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.30 2hg6 h PRO 97 Cb 1.11 -0.09 -0.38 0.00 0.11 0.00 0.00 31.00 31.75 2hg6 h PRO 97 CO 0.58 0.27 -0.77 -1.21 -0.21 0.00 0.00 178.00 176.66 2hg6 s GLU 98 N -6.00 0.60 -0.55 1.05 2.02 -1.26 -5.01 118.70 109.55 2hg6 s GLU 98 Ca -0.12 0.03 -0.22 0.00 0.02 0.00 0.00 54.97 54.67 2hg6 s GLU 98 Cb 0.21 -1.15 0.05 0.00 0.10 0.00 0.00 34.13 33.34 2hg6 s GLU 98 CO 0.77 -0.36 0.85 0.42 0.02 0.00 0.00 175.26 176.96 2hg6 s ILE 99 N 1.96 4.52 -0.16 -1.63 1.01 -1.26 -4.94 121.20 120.71 2hg6 s ILE 99 Ca 0.04 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 2hg6 s ILE 99 Cb -0.13 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 2hg6 s ILE 99 CO -0.06 -1.07 0.10 0.42 0.00 0.00 0.00 174.94 174.33 2hg6 s THR 100 N 3.57 5.15 -0.08 2.92 -4.23 -1.26 0.02 115.64 121.73 2hg6 s THR 100 Ca 0.25 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 2hg6 s THR 100 Cb -0.15 -3.29 -0.00 0.00 1.34 0.00 0.00 72.50 70.39 2hg6 s THR 100 CO 0.16 0.51 -0.24 0.00 -0.54 0.00 0.00 174.62 174.51 2hg6 s ALA 101 N -0.13 2.13 -0.04 3.99 0.00 0.20 -4.95 121.76 122.96 2hg6 s ALA 101 Ca 0.09 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2hg6 s ALA 101 Cb -0.12 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.28 2hg6 s ALA 101 CO 0.01 0.34 0.17 1.14 0.00 0.00 0.00 175.76 177.43 2hg6 s GLN 102 N 0.11 0.36 -0.33 0.00 -2.07 -1.26 -0.58 119.66 115.89 2hg6 s GLN 102 Ca -0.11 -0.04 0.03 0.00 -1.82 0.00 0.00 55.36 53.42 2hg6 s GLN 102 Cb -0.16 0.16 0.09 0.00 -1.09 0.00 0.00 33.01 32.01 2hg6 s GLN 102 CO 0.06 -0.07 0.03 1.03 -1.32 0.00 0.00 175.29 175.02 2hg6 s ARG 103 N -0.60 1.49 0.34 9.60 0.52 -1.16 -5.01 118.95 124.13 2hg6 s ARG 103 Ca -0.07 -1.72 0.05 0.00 -0.52 0.00 0.00 55.73 53.47 2hg6 s ARG 103 Cb -0.04 -3.05 -0.07 0.00 0.52 0.00 0.00 34.95 32.32 2hg6 s ARG 103 CO 0.01 -0.89 0.04 1.14 0.02 0.00 0.00 175.30 175.61 2hg6 s GLN 104 N 1.00 1.72 0.00 3.54 -2.07 -1.26 -4.92 119.66 117.67 2hg6 s GLN 104 Ca 0.08 -1.95 0.23 0.00 -1.82 0.00 0.00 55.36 51.90 2hg6 s GLN 104 Cb -0.19 -1.09 0.24 0.00 -1.09 0.00 0.00 33.01 30.88 2hg6 s GLN 104 CO -0.09 -0.13 1.27 -0.11 -1.32 0.00 0.00 175.29 174.90 2hg6 n LEU 105 N -0.75 3.05 -0.50 2.60 7.94 -1.26 -5.25 117.00 122.83 2hg6 n LEU 105 Ca -0.03 -1.14 0.14 0.00 -1.11 0.00 0.00 56.01 53.87 2hg6 n LEU 105 Cb 0.66 -0.07 0.51 0.00 0.53 0.00 0.00 43.42 45.06 2hg6 n LEU 105 CO 0.44 0.56 0.86 0.54 -1.11 0.00 0.00 177.39 178.68