#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 2.92 0.08 7.83 0.01 -1.26 -5.12 113.70 118.16 2hg6 s SER 2 Ca 0.00 -1.32 -0.23 0.00 1.31 0.00 0.00 55.95 55.71 2hg6 s SER 2 Cb 0.00 -0.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.97 2hg6 s SER 2 CO 0.00 -0.48 0.70 -0.63 0.41 0.00 0.00 173.24 173.24 2hg6 s ILE 3 N -3.04 4.64 0.43 1.44 -1.09 -1.26 -4.96 121.20 117.35 2hg6 s ILE 3 Ca 0.34 1.51 -0.01 0.00 -2.23 0.00 0.00 60.65 60.27 2hg6 s ILE 3 Cb 0.08 -4.05 0.09 0.00 -1.58 0.00 0.00 42.46 36.99 2hg6 s ILE 3 CO 0.15 0.47 0.58 0.35 -1.23 0.00 0.00 174.94 175.26 2hg6 n THR 4 N 2.16 0.00 -0.41 2.92 -2.24 -1.26 -5.07 114.28 110.37 2hg6 n THR 4 Ca -0.06 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2hg6 n THR 4 Cb 0.50 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 2hg6 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hg6 n SER 5 N -2.98 -0.86 0.17 3.42 7.64 -1.26 -4.71 113.62 115.04 2hg6 n SER 5 Ca 0.09 -0.41 0.17 0.00 1.01 0.00 0.00 58.87 59.73 2hg6 n SER 5 Cb 0.34 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 64.16 2hg6 n SER 5 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2hg6 h THR 6 N -1.35 0.13 -0.37 0.44 2.02 -2.03 -0.58 112.91 111.17 2hg6 h THR 6 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2hg6 h THR 6 Cb 0.00 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2hg6 h THR 6 CO 0.00 0.00 0.45 0.44 0.37 0.00 0.00 175.52 176.78 2hg6 h ASP 7 N 0.00 0.00 -0.34 4.18 5.19 -1.99 0.14 116.42 123.60 2hg6 h ASP 7 Ca 0.14 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 2hg6 h ASP 7 Cb 1.32 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 2hg6 h ASP 7 CO -0.00 0.00 0.13 -0.29 -3.12 0.00 0.00 179.24 175.95 2hg6 h ILE 8 N 0.00 1.17 -0.03 0.35 2.10 -1.38 0.22 117.51 119.94 2hg6 h ILE 8 Ca 0.17 -0.59 -0.21 0.00 1.08 0.00 0.00 64.86 65.32 2hg6 h ILE 8 Cb 1.07 0.73 -0.00 0.00 -1.09 0.00 0.00 36.82 37.53 2hg6 h ILE 8 CO -0.00 0.22 -0.85 0.00 -1.08 0.00 0.00 178.15 176.44 2hg6 h GLN 10 N 0.24 0.33 -0.18 0.00 1.08 -1.17 -3.06 115.11 112.36 2hg6 h GLN 10 Ca -0.06 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 2hg6 h GLN 10 Cb 1.46 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.92 2hg6 h GLN 10 CO 0.14 0.89 -0.03 0.00 -0.95 0.00 0.00 178.83 178.89 2hg6 h ALA 11 N 1.04 1.63 0.00 3.87 0.00 -0.63 -0.75 119.26 124.43 2hg6 h ALA 11 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2hg6 h ALA 11 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2hg6 h ALA 11 CO 0.11 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2hg6 h ALA 12 N 1.72 1.00 0.00 0.00 0.00 -1.57 -0.95 119.26 119.46 2hg6 h ALA 12 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hg6 h ALA 12 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2hg6 h ALA 12 CO 0.01 0.00 -0.34 -3.47 0.00 0.00 0.00 179.25 175.45 2hg6 n ASP 13 N -3.03 0.47 -0.47 0.00 2.03 -0.30 -3.59 116.55 111.66 2hg6 n ASP 13 Ca -0.00 0.16 0.13 0.00 0.52 0.00 0.00 54.79 55.60 2hg6 n ASP 13 Cb 0.24 -0.11 0.40 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.63 2.78 -2.27 -1.67 0.00 -0.36 -4.86 120.51 112.49 2hg6 n ALA 14 Ca 0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 2hg6 n ALA 14 Cb 0.38 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.18 4.35 0.02 0.00 1.02 -1.23 -4.90 118.68 115.76 2hg6 s LEU 15 Ca 0.31 2.16 0.05 0.00 0.02 0.00 0.00 54.13 56.67 2hg6 s LEU 15 Cb 0.20 -3.58 -0.02 0.00 0.02 0.00 0.00 46.19 42.82 2hg6 s LEU 15 CO 0.40 -0.61 -0.15 -1.59 0.02 0.00 0.00 176.35 174.43 2hg6 s LYS 16 N 1.41 1.05 0.00 1.70 -2.85 -0.99 -3.71 119.74 116.36 2hg6 s LYS 16 Ca 0.62 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 2hg6 s LYS 16 Cb -0.33 -1.05 0.00 0.00 -2.06 0.00 0.00 37.83 34.39 2hg6 s LYS 16 CO 0.29 0.27 0.00 0.41 0.10 0.00 0.00 175.35 176.42 2hg6 n GLY 17 N 2.23 2.81 3.46 0.59 0.00 -1.26 -4.59 105.19 108.42 2hg6 n GLY 17 Ca -0.16 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.39 2.89 -0.18 1.61 0.08 0.12 -0.99 117.98 119.11 2hg6 s PHE 18 Ca 0.00 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 2hg6 s PHE 18 Cb 0.00 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2hg6 s PHE 18 CO 0.00 -0.02 0.10 0.08 -0.10 0.00 0.00 175.22 175.27 2hg6 s VAL 19 N 0.05 5.12 0.10 -0.44 1.01 0.02 -0.65 120.40 125.62 2hg6 s VAL 19 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2hg6 s VAL 19 Cb -0.14 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2hg6 s VAL 19 CO 0.04 0.46 0.08 -0.83 0.00 0.00 0.00 175.10 174.85 2hg6 s GLY 20 N 0.24 0.58 -0.29 4.51 0.00 -0.55 -1.83 107.32 109.98 2hg6 s GLY 20 Ca 0.06 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 2hg6 s GLY 20 CO -0.01 -1.18 0.06 -0.12 0.00 0.00 0.00 173.10 171.86 2hg6 s PHE 21 N -3.96 3.14 -0.62 1.90 5.36 -1.26 -0.73 117.98 121.80 2hg6 s PHE 21 Ca 0.14 -1.10 -0.22 0.00 -0.96 0.00 0.00 56.93 54.79 2hg6 s PHE 21 Cb 0.07 -2.23 0.07 0.00 -0.34 0.00 0.00 43.02 40.59 2hg6 s PHE 21 CO -0.05 -0.61 0.90 1.21 -1.46 0.00 0.00 175.22 175.21 2hg6 s ASN 22 N 1.47 6.20 0.54 6.13 3.04 -0.47 -4.77 114.94 127.08 2hg6 s ASN 22 Ca 0.02 -0.96 0.32 0.00 0.04 0.00 0.00 52.86 52.28 2hg6 s ASN 22 Cb -0.17 -2.40 1.37 0.00 -1.54 0.00 0.00 41.25 38.52 2hg6 s ASN 22 CO 0.01 -1.33 1.99 0.08 -3.04 0.00 0.00 177.10 174.82 2hg6 h ARG 23 N 9.44 0.00 -0.62 0.43 0.11 -1.84 0.29 114.38 122.20 2hg6 h ARG 23 Ca -0.28 0.00 0.10 0.00 0.10 0.00 0.00 59.98 59.90 2hg6 h ARG 23 Cb 1.07 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.08 2hg6 h ARG 23 CO 1.14 0.04 0.22 -0.22 0.10 0.00 0.00 179.97 181.25 2hg6 h LYS 24 N 0.00 0.37 0.00 0.08 3.64 -1.90 -2.84 116.57 115.92 2hg6 h LYS 24 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2hg6 h LYS 24 Cb 0.50 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2hg6 h LYS 24 CO 0.01 0.25 -1.08 -2.37 -2.27 0.00 0.00 179.45 173.99 2hg6 n THR 25 N -5.02 0.00 -2.66 1.00 5.66 -1.05 -5.02 114.28 107.19 2hg6 n THR 25 Ca 0.09 -0.21 -0.08 0.00 -3.05 0.00 0.00 64.05 60.81 2hg6 n THR 25 Cb 0.29 0.71 0.04 0.00 -1.55 0.00 0.00 70.33 69.83 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 1.44 0.08 3.36 1.09 0.00 0.99 -5.05 105.19 107.10 2hg6 n GLY 26 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2hg6 n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hg6 s ARG 27 N -4.63 1.14 0.09 1.61 1.70 -1.06 -5.01 118.95 112.79 2hg6 s ARG 27 Ca 0.00 -0.94 -0.22 0.00 -0.47 0.00 0.00 55.73 54.10 2hg6 s ARG 27 Cb -0.00 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 2hg6 s ARG 27 CO 0.33 -0.44 0.67 0.71 -1.08 0.00 0.00 175.30 175.50 2hg6 s TYR 28 N -3.88 3.82 0.14 5.89 2.02 -1.26 -1.37 117.35 122.70 2hg6 s TYR 28 Ca 0.09 1.42 0.04 0.00 -0.37 0.00 0.00 57.07 58.25 2hg6 s TYR 28 Cb 0.02 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 2hg6 s TYR 28 CO -0.06 0.49 -0.09 0.96 -1.57 0.00 0.00 175.55 175.28 2hg6 s ILE 29 N -0.85 1.05 -0.12 2.71 -5.25 0.09 -4.95 121.20 113.89 2hg6 s ILE 29 Ca 0.33 -2.03 0.02 0.00 -0.99 0.00 0.00 60.65 57.98 2hg6 s ILE 29 Cb -0.21 -1.84 -0.00 0.00 2.95 0.00 0.00 42.46 43.36 2hg6 s ILE 29 CO 0.22 -0.75 -0.20 0.68 -1.79 0.00 0.00 174.94 173.09 2hg6 s VAL 30 N -3.40 2.34 0.17 8.37 -7.23 -1.26 -1.48 120.40 117.91 2hg6 s VAL 30 Ca 0.16 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 2hg6 s VAL 30 Cb 0.03 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 2hg6 s VAL 30 CO -0.00 0.55 0.01 -0.13 -0.31 0.00 0.00 175.10 175.21 2hg6 s ARG 31 N 0.47 1.09 -0.03 4.82 1.81 0.18 -4.99 118.95 122.31 2hg6 s ARG 31 Ca -0.14 -1.53 0.09 0.00 -1.72 0.00 0.00 55.73 52.43 2hg6 s ARG 31 Cb -0.17 -0.20 -0.13 0.00 -0.45 0.00 0.00 34.95 34.00 2hg6 s ARG 31 CO 0.06 -0.15 0.16 1.19 -0.68 0.00 0.00 175.30 175.88 2hg6 n PHE 32 N -0.23 0.00 -3.70 -0.53 3.72 -1.26 0.12 117.46 115.58 2hg6 n PHE 32 Ca -0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.95 2hg6 n PHE 32 Cb 0.63 -0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 38.81 2hg6 n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2hg6 s SER 33 N -3.22 5.38 0.51 4.37 0.15 -1.26 -4.81 113.70 114.82 2hg6 s SER 33 Ca -0.03 -0.83 0.33 0.00 0.70 0.00 0.00 55.95 56.11 2hg6 s SER 33 Cb 0.05 -1.93 1.37 0.00 -1.71 0.00 0.00 66.02 63.80 2hg6 s SER 33 CO 0.36 -0.26 1.96 1.05 1.20 0.00 0.00 173.24 177.55 2hg6 h GLU 34 N 8.30 0.00 0.00 5.44 4.11 -1.96 -1.88 114.58 128.59 2hg6 h GLU 34 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2hg6 h GLU 34 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2hg6 h GLU 34 CO 0.62 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.23 2hg6 n ASP 35 N -2.94 0.62 0.06 3.06 2.03 -1.26 -3.68 116.55 114.43 2hg6 n ASP 35 Ca 0.01 0.58 0.01 0.00 0.52 0.00 0.00 54.79 55.91 2hg6 n ASP 35 Cb 0.28 -0.74 0.36 0.00 -0.72 0.00 0.00 41.12 40.29 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2hg6 h SER 36 N 0.00 0.37 -2.00 1.67 0.87 -1.75 -3.42 113.55 109.29 2hg6 h SER 36 Ca 0.00 -0.06 -0.50 0.00 -1.23 0.00 0.00 61.79 60.00 2hg6 h SER 36 Cb 0.59 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2hg6 h SER 36 CO 0.00 0.45 -0.48 -0.36 -0.53 0.00 0.00 176.83 175.92 2hg6 s PHE 37 N -4.91 3.00 0.00 2.24 0.08 -1.24 -5.11 117.98 112.03 2hg6 s PHE 37 Ca -0.07 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.77 2hg6 s PHE 37 Cb 0.16 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 2hg6 s PHE 37 CO 0.75 0.32 0.00 0.41 -0.10 0.00 0.00 175.22 176.60 2hg6 n GLY 38 N -1.30 4.05 0.33 4.36 0.00 -1.26 -4.97 105.19 106.39 2hg6 n GLY 38 Ca -0.04 -0.48 0.21 0.00 0.00 0.00 0.00 46.02 45.70 2hg6 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hg6 h MET 39 N 0.00 0.00 -0.02 1.61 -0.00 -2.00 -1.12 114.93 113.40 2hg6 h MET 39 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.55 2hg6 h MET 39 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2hg6 h MET 39 CO 0.00 0.00 -0.69 0.22 -0.00 0.00 0.00 176.91 176.44 2hg6 h ASP 40 N 0.00 0.10 -3.34 -0.10 3.58 -2.01 -3.43 116.42 111.23 2hg6 h ASP 40 Ca 0.00 -0.07 -0.65 0.00 0.42 0.00 0.00 57.03 56.73 2hg6 h ASP 40 Cb 0.02 -0.03 -0.25 0.00 1.72 0.00 0.00 39.33 40.79 2hg6 h ASP 40 CO -0.00 0.76 -0.72 -0.69 -2.88 0.00 0.00 179.24 175.71 2hg6 s VAL 41 N -3.50 3.41 -0.01 2.25 1.01 -0.42 -4.51 120.40 118.63 2hg6 s VAL 41 Ca -0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2hg6 s VAL 41 Cb 0.12 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2hg6 s VAL 41 CO 0.79 0.49 1.78 0.00 0.00 0.00 0.00 175.10 178.15 2hg6 s ALA 42 N 0.66 3.61 0.05 5.51 0.00 -1.26 -4.68 121.76 125.65 2hg6 s ALA 42 Ca -0.04 1.12 0.32 0.00 0.00 0.00 0.00 51.96 53.36 2hg6 s ALA 42 Cb -0.15 -3.78 1.46 0.00 0.00 0.00 0.00 23.12 20.65 2hg6 s ALA 42 CO 0.02 -1.44 1.97 0.38 0.00 0.00 0.00 175.76 176.69 2hg6 h ASP 43 N 9.83 0.00 1.32 0.00 2.03 -1.97 -0.01 116.42 127.62 2hg6 h ASP 43 Ca -0.44 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.84 2hg6 h ASP 43 Cb 1.20 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2hg6 h ASP 43 CO 0.95 0.00 -0.12 0.44 -1.03 0.00 0.00 179.24 179.48 2hg6 h ASP 44 N 0.00 0.00 1.83 4.15 3.32 -2.02 -3.00 116.42 120.70 2hg6 h ASP 44 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hg6 h ASP 44 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2hg6 h ASP 44 CO 0.00 0.12 -0.13 0.28 -1.72 0.00 0.00 179.24 177.79 2hg6 h SER 45 N 0.00 0.00 -1.86 6.45 0.02 -1.37 -3.42 113.55 113.36 2hg6 h SER 45 Ca -0.00 -0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2hg6 h SER 45 Cb 0.81 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.30 2hg6 h SER 45 CO 0.02 0.00 1.21 -0.63 -1.14 0.00 0.00 176.83 176.29 2hg6 s ILE 46 N -3.22 3.49 -0.08 3.27 1.01 -1.14 -4.60 121.20 119.93 2hg6 s ILE 46 Ca 0.06 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.87 2hg6 s ILE 46 Cb 0.06 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 2hg6 s ILE 46 CO 0.68 -1.22 -0.17 -0.89 0.00 0.00 0.00 174.94 173.34 2hg6 s THR 47 N 8.11 2.75 0.01 2.92 2.01 -0.76 -4.91 115.64 125.76 2hg6 s THR 47 Ca 0.58 -0.81 -0.36 0.00 0.31 0.00 0.00 61.69 61.42 2hg6 s THR 47 Cb -0.10 -2.09 -0.15 0.00 0.01 0.00 0.00 72.50 70.18 2hg6 s THR 47 CO 0.15 0.56 1.61 -2.65 -0.69 0.00 0.00 174.62 173.59 2hg6 n PRO 48 N 2.99 1.69 0.28 4.92 -0.02 -1.26 -0.80 135.00 142.80 2hg6 n PRO 48 Ca -0.18 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2hg6 n PRO 48 Cb 0.52 -2.35 0.81 0.00 -0.02 0.00 0.00 33.50 32.46 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 4.22 0.62 -0.47 3.45 1.03 -1.35 -0.99 112.91 119.43 2hg6 h THR 49 Ca -0.47 -0.23 -0.05 0.00 -0.01 0.00 0.00 66.41 65.66 2hg6 h THR 49 Cb 1.29 1.14 -0.02 0.00 -1.07 0.00 0.00 68.15 69.49 2hg6 h THR 49 CO 0.88 0.05 0.10 -1.28 -0.01 0.00 0.00 175.52 175.26 2hg6 h SER 50 N 0.00 0.72 0.92 0.00 0.87 -1.81 -2.88 113.55 111.38 2hg6 h SER 50 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2hg6 h SER 50 Cb 0.14 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2hg6 h SER 50 CO 0.01 0.78 -0.53 1.21 -0.53 0.00 0.00 176.83 177.77 2hg6 n GLU 51 N -4.47 0.27 0.24 2.24 2.13 -0.77 -3.64 120.64 116.63 2hg6 n GLU 51 Ca 0.01 0.10 0.10 0.00 0.66 0.00 0.00 57.16 58.03 2hg6 n GLU 51 Cb 0.23 -1.69 0.59 0.00 0.27 0.00 0.00 31.44 30.84 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 0.00 -0.01 4.31 3.57 -0.98 -2.44 116.94 121.39 2hg6 h PHE 52 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2hg6 h PHE 52 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2hg6 h PHE 52 CO 0.00 0.19 -0.13 1.33 -2.23 0.00 0.00 178.31 177.47 2hg6 n VAL 53 N -3.64 0.00 -3.54 1.41 0.24 -1.20 -4.76 118.33 106.84 2hg6 n VAL 53 Ca -0.01 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.34 61.78 2hg6 n VAL 53 Cb 0.32 0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 2hg6 n VAL 53 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2hg6 s TRP 54 N -2.36 3.22 -0.39 6.34 0.52 -0.92 -0.76 118.94 124.59 2hg6 s TRP 54 Ca 0.30 0.04 -0.21 0.00 0.02 0.00 0.00 56.10 56.26 2hg6 s TRP 54 Cb 0.20 -2.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.09 2hg6 s TRP 54 CO 0.46 -0.24 0.65 -1.12 0.02 0.00 0.00 176.95 176.72 2hg6 s SER 55 N 1.74 6.39 0.05 2.95 0.01 0.87 -4.84 113.70 120.87 2hg6 s SER 55 Ca 0.08 -0.02 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 2hg6 s SER 55 Cb -0.16 -2.33 -0.08 0.00 0.21 0.00 0.00 66.02 63.66 2hg6 s SER 55 CO 0.11 -0.68 1.63 -0.44 0.41 0.00 0.00 173.24 174.27 2hg6 s SER 56 N 1.89 6.63 0.00 2.44 0.01 -1.26 -0.61 113.70 122.80 2hg6 s SER 56 Ca 0.24 2.43 0.06 0.00 1.31 0.00 0.00 55.95 59.99 2hg6 s SER 56 Cb -0.14 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 63.66 2hg6 s SER 56 CO 0.17 -0.88 1.02 1.33 0.41 0.00 0.00 173.24 175.29 2hg6 n VAL 57 N 4.81 0.76 0.00 3.43 0.24 -0.65 -4.95 118.33 121.96 2hg6 n VAL 57 Ca 0.16 -0.88 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 2hg6 n VAL 57 Cb 0.41 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 0.10 0.00 0.00 7.34 0.63 -1.24 -5.05 116.66 118.44 2hg6 n ARG 58 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2hg6 n ARG 58 Cb 0.29 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.20 2hg6 n ARG 58 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2hg6 n ASP 59 N -1.21 0.00 0.01 6.15 9.92 -1.26 -4.95 116.55 125.21 2hg6 n ASP 59 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 2hg6 n ASP 59 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2hg6 n ASP 59 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2hg6 n ASP 60 N -0.29 0.38 -4.66 -2.24 2.03 -1.26 -4.89 116.55 105.62 2hg6 n ASP 60 Ca 0.00 0.16 -0.42 0.00 0.52 0.00 0.00 54.79 55.04 2hg6 n ASP 60 Cb 0.00 1.07 -0.03 0.00 -0.72 0.00 0.00 41.12 41.44 2hg6 n ASP 60 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2hg6 s VAL 61 N -3.17 3.81 0.09 5.18 0.11 -1.26 -4.67 120.40 120.48 2hg6 s VAL 61 Ca -0.06 0.99 0.07 0.00 -2.93 0.00 0.00 61.98 60.06 2hg6 s VAL 61 Cb 0.10 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2hg6 s VAL 61 CO 0.85 -0.08 -0.19 -0.04 -3.33 0.00 0.00 175.10 172.31 2hg6 s MET 62 N 3.76 1.05 0.04 1.54 -1.94 0.28 -1.64 119.30 122.40 2hg6 s MET 62 Ca 0.67 -1.07 0.05 0.00 -1.71 0.00 0.00 55.69 53.62 2hg6 s MET 62 Cb -0.30 -1.23 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 2hg6 s MET 62 CO 0.25 0.29 -0.07 -0.98 -0.01 0.00 0.00 175.02 174.49 2hg6 s ARG 63 N -1.78 2.42 -0.25 2.03 1.70 0.23 -0.34 118.95 122.96 2hg6 s ARG 63 Ca 0.04 -0.83 -0.28 0.00 -0.47 0.00 0.00 55.73 54.19 2hg6 s ARG 63 Cb -0.10 -2.44 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 2hg6 s ARG 63 CO 0.03 0.56 2.05 -1.17 -1.08 0.00 0.00 175.30 175.70 2hg6 s LEU 64 N -1.76 3.51 -0.25 -1.89 1.98 0.81 -0.09 118.68 120.99 2hg6 s LEU 64 Ca 0.19 1.71 -0.22 0.00 -2.89 0.00 0.00 54.13 52.92 2hg6 s LEU 64 Cb -0.11 -3.52 -0.01 0.00 0.66 0.00 0.00 46.19 43.21 2hg6 s LEU 64 CO 0.11 -1.83 0.73 -0.83 -1.89 0.00 0.00 176.35 172.64 2hg6 s GLY 65 N 7.30 1.79 0.17 7.98 0.00 0.06 -4.43 107.32 120.19 2hg6 s GLY 65 Ca 0.92 -0.28 0.21 0.00 0.00 0.00 0.00 44.72 45.57 2hg6 s GLY 65 CO 0.35 1.63 1.64 -0.96 0.00 0.00 0.00 173.10 175.75 2hg6 n ARG 66 N 5.85 0.13 0.24 2.90 1.85 -1.26 -3.22 116.66 123.14 2hg6 n ARG 66 Ca 0.02 0.35 0.08 0.00 -1.00 0.00 0.00 57.85 57.31 2hg6 n ARG 66 Cb 0.48 -1.74 0.58 0.00 -1.05 0.00 0.00 32.46 30.73 2hg6 n ARG 66 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2hg6 h GLU 67 N 0.00 0.00 -0.01 2.89 -0.00 -1.94 -1.48 114.58 114.04 2hg6 h GLU 67 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.30 2hg6 h GLU 67 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.09 2hg6 h GLU 67 CO 0.00 0.19 -0.26 -0.56 -0.00 0.00 0.00 179.01 178.38 2hg6 h GLN 68 N 0.00 0.02 -0.09 1.06 -0.00 -1.90 -2.67 115.11 111.53 2hg6 h GLN 68 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 2hg6 h GLN 68 Cb 0.41 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.88 2hg6 h GLN 68 CO 0.02 0.28 0.01 -0.07 -0.00 0.00 0.00 178.83 179.07 2hg6 h LEU 69 N 0.02 0.11 -0.81 0.06 3.38 -1.48 -0.29 115.31 116.30 2hg6 h LEU 69 Ca 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2hg6 h LEU 69 Cb 0.47 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2hg6 h LEU 69 CO 0.03 0.13 -0.41 1.56 0.09 0.00 0.00 178.44 179.84 2hg6 h GLN 70 N 0.12 0.39 -0.03 1.13 1.08 -1.55 0.72 115.11 116.97 2hg6 h GLN 70 Ca 0.03 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 2hg6 h GLN 70 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2hg6 h GLN 70 CO -0.00 0.74 -0.14 0.82 -0.95 0.00 0.00 178.83 179.30 2hg6 h ILE 71 N 0.32 1.50 0.00 2.54 2.04 -1.20 -3.17 117.51 119.55 2hg6 h ILE 71 Ca 0.03 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.18 2hg6 h ILE 71 Cb 0.87 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2hg6 h ILE 71 CO 0.07 0.45 -0.18 -0.07 0.00 0.00 0.00 178.15 178.43 2hg6 h LEU 72 N -0.46 0.00 -2.07 1.44 3.38 -1.10 -2.77 115.31 113.73 2hg6 h LEU 72 Ca -0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2hg6 h LEU 72 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2hg6 h LEU 72 CO 0.03 0.18 0.21 0.25 0.09 0.00 0.00 178.44 179.20 2hg6 h LEU 73 N 0.00 0.00 0.00 1.67 5.85 -0.81 0.22 115.31 122.24 2hg6 h LEU 73 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hg6 h LEU 73 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2hg6 h LEU 73 CO 0.02 0.00 -0.14 -0.62 -0.34 0.00 0.00 178.44 177.36 2hg6 n GLU 74 N -4.26 0.19 -3.90 1.25 1.02 -1.04 -4.46 120.64 109.44 2hg6 n GLU 74 Ca 0.03 0.13 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 2hg6 n GLU 74 Cb 0.37 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 2hg6 n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2hg6 s GLN 75 N -3.08 1.78 0.00 3.49 -0.21 0.79 -4.97 119.66 117.45 2hg6 s GLN 75 Ca 0.11 -2.42 0.00 0.00 0.02 0.00 0.00 55.36 53.07 2hg6 s GLN 75 Cb 0.14 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 31.07 2hg6 s GLN 75 CO 0.61 -1.11 1.49 0.09 -2.12 0.00 0.00 175.29 174.26 2hg6 n ASN 76 N 3.31 4.15 -2.92 5.90 5.03 -1.26 -4.49 115.26 124.98 2hg6 n ASN 76 Ca 0.06 -2.19 -0.34 0.00 0.87 0.00 0.00 54.58 52.97 2hg6 n ASN 76 Cb 0.33 -0.81 -0.02 0.00 -1.02 0.00 0.00 39.78 38.27 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2hg6 n ILE 77 N 1.02 4.09 0.11 2.41 -6.64 -1.26 -4.68 119.36 114.41 2hg6 n ILE 77 Ca 0.00 -3.91 0.09 0.00 -1.77 0.00 0.00 62.75 57.17 2hg6 n ILE 77 Cb 0.49 -1.60 0.57 0.00 -1.44 0.00 0.00 39.64 37.67 2hg6 n ILE 77 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2hg6 h ASN 78 N 3.46 0.17 0.45 7.28 4.21 -1.97 0.17 115.58 129.34 2hg6 h ASN 78 Ca 0.51 -0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.94 2hg6 h ASN 78 Cb 0.43 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2hg6 h ASN 78 CO 1.16 0.12 -0.38 -0.33 -1.29 0.00 0.00 177.43 176.71 2hg6 h GLU 79 N 0.19 0.00 0.00 0.81 4.39 -1.98 0.19 114.58 118.19 2hg6 h GLU 79 Ca 0.11 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2hg6 h GLU 79 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2hg6 h GLU 79 CO -0.02 0.38 -0.16 -0.09 -1.16 0.00 0.00 179.01 177.96 2hg6 h ARG 80 N 0.00 0.00 0.00 2.33 9.65 -1.09 -3.37 114.38 121.89 2hg6 h ARG 80 Ca -0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 2hg6 h ARG 80 Cb 0.70 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2hg6 h ARG 80 CO 0.05 0.84 -1.11 1.25 2.80 0.00 0.00 179.97 183.79 2hg6 h LEU 81 N -1.00 0.00 -2.37 3.80 5.85 -1.31 -3.48 115.31 116.80 2hg6 h LEU 81 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2hg6 h LEU 81 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2hg6 h LEU 81 CO -0.02 0.22 -0.61 -3.20 -0.34 0.00 0.00 178.44 174.48 2hg6 n ASN 82 N -2.78 -6.78 -4.74 1.25 5.15 0.67 -2.35 115.26 105.69 2hg6 n ASN 82 Ca -0.03 0.82 -0.39 0.00 -0.60 0.00 0.00 54.58 54.38 2hg6 n ASN 82 Cb 0.66 -4.48 -0.05 0.00 -0.53 0.00 0.00 39.78 35.37 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 -1.74 5.03 0.53 -1.44 1.09 -1.22 -4.03 121.20 119.41 2hg6 s ILE 83 Ca 0.09 1.24 -0.22 0.00 -1.10 0.00 0.00 60.65 60.66 2hg6 s ILE 83 Cb -0.03 -3.94 -0.06 0.00 -1.06 0.00 0.00 42.46 37.37 2hg6 s ILE 83 CO 0.62 0.34 1.17 0.61 -0.10 0.00 0.00 174.94 177.58 2hg6 n GLY 84 N 2.88 0.26 0.36 6.18 0.00 -1.26 -4.93 105.19 108.68 2hg6 n GLY 84 Ca -0.05 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2hg6 n GLY 84 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hg6 h GLU 85 N 1.23 -0.57 0.00 1.61 4.57 -1.95 -1.91 114.58 117.56 2hg6 h GLU 85 Ca -0.49 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2hg6 h GLU 85 Cb 1.33 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 2hg6 h GLU 85 CO 0.55 -0.38 0.00 -2.30 -1.18 0.00 0.00 179.01 175.71 2hg6 n PRO 86 N -5.43 0.52 0.14 0.92 -0.02 -1.26 -2.26 135.00 127.60 2hg6 n PRO 86 Ca -0.07 0.03 -0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2hg6 n PRO 86 Cb 0.34 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.48 2hg6 n PRO 86 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2hg6 h LEU 87 N 0.00 0.00 -0.25 2.45 -0.00 -1.65 -2.06 115.31 113.80 2hg6 h LEU 87 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2hg6 h LEU 87 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2hg6 h LEU 87 CO 0.00 0.61 0.00 -0.07 -0.00 0.00 0.00 178.44 178.98 2hg6 h LEU 88 N 0.00 0.44 -0.58 1.67 4.07 -1.53 -1.53 115.31 117.84 2hg6 h LEU 88 Ca -0.01 -0.31 -0.15 0.00 0.08 0.00 0.00 57.88 57.49 2hg6 h LEU 88 Cb 1.16 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 2hg6 h LEU 88 CO 0.08 0.64 -0.59 -0.37 -1.08 0.00 0.00 178.44 177.11 2hg6 h VAL 89 N 0.23 1.36 -0.61 1.22 -1.51 -1.72 -1.83 116.25 113.39 2hg6 h VAL 89 Ca 0.07 -1.91 0.02 0.00 -1.23 0.00 0.00 66.70 63.64 2hg6 h VAL 89 Cb 0.41 1.92 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 2hg6 h VAL 89 CO 0.01 0.58 0.40 0.22 -1.23 0.00 0.00 177.57 177.55 2hg6 h TYR 90 N 0.28 0.73 0.03 5.19 3.20 -1.26 -0.19 116.97 124.96 2hg6 h TYR 90 Ca -0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2hg6 h TYR 90 Cb 1.12 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2hg6 h TYR 90 CO 0.03 0.45 -0.02 1.25 -1.64 0.00 0.00 178.16 178.24 2hg6 h LEU 91 N 0.78 -0.04 0.01 2.82 6.46 -0.93 -3.00 115.31 121.42 2hg6 h LEU 91 Ca 0.23 -0.37 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 2hg6 h LEU 91 Cb -0.03 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.87 2hg6 h LEU 91 CO -0.06 0.35 -0.22 0.03 -0.62 0.00 0.00 178.44 177.92 2hg6 h ARG 92 N -0.43 -0.35 -0.99 1.25 2.47 -0.83 -3.43 114.38 112.08 2hg6 h ARG 92 Ca -0.00 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 58.89 2hg6 h ARG 92 Cb 0.40 0.08 -0.22 0.00 -1.65 0.00 0.00 29.97 28.58 2hg6 h ARG 92 CO 0.01 -0.23 0.03 0.50 0.56 0.00 0.00 179.97 180.83 2hg6 s ARG 93 N -6.09 0.38 -0.21 0.04 3.52 -0.13 -5.11 118.95 111.36 2hg6 s ARG 93 Ca -0.15 0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 55.97 2hg6 s ARG 93 Cb 0.09 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.96 2hg6 s ARG 93 CO 0.66 -0.27 1.09 1.14 -0.81 0.00 0.00 175.30 177.11 2hg6 s GLN 94 N 2.75 4.26 0.28 5.12 -2.07 -1.13 -4.52 119.66 124.35 2hg6 s GLN 94 Ca 0.03 1.43 0.14 0.00 -1.82 0.00 0.00 55.36 55.14 2hg6 s GLN 94 Cb -0.10 -3.66 0.31 0.00 -1.09 0.00 0.00 33.01 28.46 2hg6 s GLN 94 CO -0.17 -0.63 1.56 0.22 -1.32 0.00 0.00 175.29 174.95 2hg6 h ASP 95 N 7.60 0.00 -3.66 12.60 3.58 -1.90 -3.41 116.42 131.23 2hg6 h ASP 95 Ca -0.21 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.61 2hg6 h ASP 95 Cb 1.07 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.98 2hg6 h ASP 95 CO 0.97 0.59 -0.47 -0.76 -2.88 0.00 0.00 179.24 176.68 2hg6 s LEU 96 N -7.04 4.09 0.51 2.28 1.43 -1.26 -4.98 118.68 113.72 2hg6 s LEU 96 Ca 0.01 0.12 0.17 0.00 -1.03 0.00 0.00 54.13 53.39 2hg6 s LEU 96 Cb 0.11 -2.15 1.26 0.00 0.03 0.00 0.00 46.19 45.43 2hg6 s LEU 96 CO 0.74 0.01 2.11 -0.65 0.23 0.00 0.00 176.35 178.80 2hg6 h PRO 97 N 7.75 0.05 -1.43 1.29 0.11 -2.01 -3.41 132.00 134.34 2hg6 h PRO 97 Ca -0.37 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.87 2hg6 h PRO 97 Cb 1.17 -0.01 -0.23 0.00 0.11 0.00 0.00 31.00 32.04 2hg6 h PRO 97 CO 0.63 0.03 0.15 -1.83 -0.21 0.00 0.00 178.00 176.77 2hg6 s GLU 98 N -5.10 0.41 -0.37 1.05 -1.05 -1.26 -5.00 118.70 107.39 2hg6 s GLU 98 Ca -0.05 0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 55.42 2hg6 s GLU 98 Cb 0.18 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.34 2hg6 s GLU 98 CO 0.69 -0.13 1.17 0.42 0.95 0.00 0.00 175.26 178.36 2hg6 s ILE 99 N 2.28 4.29 -0.18 1.83 1.01 -1.26 -4.84 121.20 124.33 2hg6 s ILE 99 Ca -0.05 1.42 -0.15 0.00 0.00 0.00 0.00 60.65 61.87 2hg6 s ILE 99 Cb -0.07 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2hg6 s ILE 99 CO -0.18 -0.65 0.35 0.42 0.00 0.00 0.00 174.94 174.89 2hg6 s THR 100 N 4.19 5.25 -0.07 2.92 -4.23 -1.26 -0.13 115.64 122.30 2hg6 s THR 100 Ca 0.50 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.67 2hg6 s THR 100 Cb -0.12 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.05 2hg6 s THR 100 CO 0.23 0.32 -0.08 0.00 -0.54 0.00 0.00 174.62 174.55 2hg6 s ALA 101 N 0.87 1.06 -0.10 3.99 0.00 0.53 -5.00 121.76 123.11 2hg6 s ALA 101 Ca 0.18 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 2hg6 s ALA 101 Cb -0.14 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.42 2hg6 s ALA 101 CO 0.06 -0.05 0.27 1.14 0.00 0.00 0.00 175.76 177.19 2hg6 s GLN 102 N 1.00 0.31 0.48 0.00 -2.07 -1.26 -0.55 119.66 117.56 2hg6 s GLN 102 Ca -0.09 0.40 0.03 0.00 -1.82 0.00 0.00 55.36 53.88 2hg6 s GLN 102 Cb -0.15 0.13 0.09 0.00 -1.09 0.00 0.00 33.01 31.99 2hg6 s GLN 102 CO -0.00 -0.05 0.66 2.89 -1.32 0.00 0.00 175.29 177.47 2hg6 n ARG 103 N 3.07 0.38 -4.29 9.60 1.85 -1.26 -5.01 116.66 120.99 2hg6 n ARG 103 Ca -0.14 -2.12 -0.17 0.00 -1.00 0.00 0.00 57.85 54.41 2hg6 n ARG 103 Cb 0.58 -0.34 -0.09 0.00 -1.05 0.00 0.00 32.46 31.55 2hg6 n ARG 103 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2hg6 s GLN 104 N -4.16 1.55 -0.24 2.89 -2.07 -1.26 -4.96 119.66 111.40 2hg6 s GLN 104 Ca 0.47 -1.87 0.10 0.00 -1.82 0.00 0.00 55.36 52.23 2hg6 s GLN 104 Cb -0.03 0.10 0.66 0.00 -1.09 0.00 0.00 33.01 32.65 2hg6 s GLN 104 CO 0.30 -0.49 1.60 -0.11 -1.32 0.00 0.00 175.29 175.27 2hg6 n LEU 105 N -0.52 5.24 0.00 2.60 7.94 -1.26 -5.27 117.00 125.73 2hg6 n LEU 105 Ca 0.03 -2.69 0.00 0.00 -1.11 0.00 0.00 56.01 52.24 2hg6 n LEU 105 Cb 0.64 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.91 2hg6 n LEU 105 CO 0.34 0.65 0.24 0.54 -1.11 0.00 0.00 177.39 178.05