#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 5.25 0.22 7.83 0.01 -1.26 -5.04 113.70 120.71 2hg6 s SER 2 Ca 0.00 -0.69 -0.30 0.00 1.31 0.00 0.00 55.95 56.27 2hg6 s SER 2 Cb 0.00 -0.33 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 2hg6 s SER 2 CO 0.00 -0.88 1.33 -0.63 0.41 0.00 0.00 173.24 173.47 2hg6 s ILE 3 N -2.50 3.07 0.65 1.44 -1.09 -1.26 -4.93 121.20 116.58 2hg6 s ILE 3 Ca 0.52 0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 59.83 2hg6 s ILE 3 Cb -0.06 -3.57 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 2hg6 s ILE 3 CO 0.31 0.14 0.91 0.42 -1.23 0.00 0.00 174.94 175.50 2hg6 s THR 4 N 0.01 2.38 0.21 2.92 -4.23 -1.26 -5.04 115.64 110.64 2hg6 s THR 4 Ca 0.57 -0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2hg6 s THR 4 Cb -0.38 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 70.69 2hg6 s THR 4 CO 0.40 0.00 0.23 -0.24 -0.54 0.00 0.00 174.62 174.47 2hg6 n SER 5 N -2.66 -0.62 0.26 3.99 2.88 -1.26 -4.39 113.62 111.82 2hg6 n SER 5 Ca 0.11 -0.85 0.17 0.00 -1.33 0.00 0.00 58.87 56.97 2hg6 n SER 5 Cb 0.60 -0.19 0.84 0.00 -0.75 0.00 0.00 64.21 64.71 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 -1.46 0.15 0.00 2.46 2.02 -1.99 -0.63 112.91 113.47 2hg6 h THR 6 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2hg6 h THR 6 Cb 0.24 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2hg6 h THR 6 CO 0.06 0.00 0.39 0.44 0.37 0.00 0.00 175.52 176.77 2hg6 h ASP 7 N 0.00 0.00 -0.85 4.18 3.32 -2.02 -1.34 116.42 119.71 2hg6 h ASP 7 Ca 0.06 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.29 2hg6 h ASP 7 Cb 0.67 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 2hg6 h ASP 7 CO -0.00 0.00 0.57 -0.29 -1.72 0.00 0.00 179.24 177.80 2hg6 h ILE 8 N 0.00 0.71 0.00 0.35 2.10 -1.42 0.46 117.51 119.71 2hg6 h ILE 8 Ca 0.00 -0.14 -0.14 0.00 1.08 0.00 0.00 64.86 65.66 2hg6 h ILE 8 Cb 0.77 0.28 -0.02 0.00 -1.09 0.00 0.00 36.82 36.77 2hg6 h ILE 8 CO 0.00 0.07 -0.68 0.00 -1.08 0.00 0.00 178.15 176.46 2hg6 h GLN 10 N 0.00 0.45 0.00 0.00 1.08 -1.08 -2.62 115.11 112.94 2hg6 h GLN 10 Ca -0.01 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2hg6 h GLN 10 Cb 1.25 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2hg6 h GLN 10 CO 0.09 0.80 0.00 0.00 -0.95 0.00 0.00 178.83 178.76 2hg6 h ALA 11 N 1.17 1.00 0.00 3.87 0.00 -1.45 -2.47 119.26 121.38 2hg6 h ALA 11 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hg6 h ALA 11 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2hg6 h ALA 11 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2hg6 h ALA 12 N 2.22 1.00 -0.00 0.00 0.00 -1.54 -2.40 119.26 118.54 2hg6 h ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hg6 h ALA 12 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2hg6 h ALA 12 CO 0.00 0.00 -0.09 -0.25 0.00 0.00 0.00 179.25 178.91 2hg6 n ASP 13 N -2.73 0.31 -0.20 0.00 8.00 -0.93 -3.28 116.55 117.72 2hg6 n ASP 13 Ca 0.02 -0.39 0.14 0.00 0.71 0.00 0.00 54.79 55.27 2hg6 n ASP 13 Cb 0.30 -0.14 0.60 0.00 -0.02 0.00 0.00 41.12 41.86 2hg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hg6 n ALA 14 N -1.10 2.76 -2.67 2.24 0.00 -0.90 -4.80 120.51 116.05 2hg6 n ALA 14 Ca 0.14 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2hg6 n ALA 14 Cb 0.27 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.31 4.16 -0.03 0.00 1.02 -1.20 -4.93 118.68 115.38 2hg6 s LEU 15 Ca 0.33 1.26 0.07 0.00 0.02 0.00 0.00 54.13 55.80 2hg6 s LEU 15 Cb 0.20 -3.34 -0.02 0.00 0.02 0.00 0.00 46.19 43.05 2hg6 s LEU 15 CO 0.44 -0.48 -0.25 -1.59 0.02 0.00 0.00 176.35 174.49 2hg6 s LYS 16 N 2.44 2.20 0.00 1.70 -2.85 -1.26 -3.77 119.74 118.20 2hg6 s LYS 16 Ca 0.41 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 2hg6 s LYS 16 Cb -0.16 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.58 2hg6 s LYS 16 CO 0.11 0.49 0.00 0.41 0.10 0.00 0.00 175.35 176.46 2hg6 n GLY 17 N 2.62 3.58 3.05 0.59 0.00 -1.26 -4.91 105.19 108.86 2hg6 n GLY 17 Ca -0.16 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.00 2.56 -0.15 1.61 0.08 0.15 -0.11 117.98 120.12 2hg6 s PHE 18 Ca 0.00 -1.58 -0.14 0.00 0.12 0.00 0.00 56.93 55.33 2hg6 s PHE 18 Cb 0.00 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 2hg6 s PHE 18 CO 0.00 -0.76 0.31 0.08 -0.10 0.00 0.00 175.22 174.75 2hg6 s VAL 19 N 1.35 5.29 0.10 -0.44 1.01 0.11 -0.35 120.40 127.48 2hg6 s VAL 19 Ca 0.02 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.61 2hg6 s VAL 19 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2hg6 s VAL 19 CO -0.10 0.40 -0.07 -0.83 0.00 0.00 0.00 175.10 174.50 2hg6 s GLY 20 N 0.35 0.78 -0.39 4.51 0.00 -0.26 -0.27 107.32 112.05 2hg6 s GLY 20 Ca 0.18 -1.30 -0.18 0.00 0.00 0.00 0.00 44.72 43.41 2hg6 s GLY 20 CO 0.05 -1.40 0.51 -0.12 0.00 0.00 0.00 173.10 172.14 2hg6 s PHE 21 N -3.32 3.15 -0.61 1.90 5.36 -1.13 -0.19 117.98 123.14 2hg6 s PHE 21 Ca 0.10 -0.03 -0.26 0.00 -0.96 0.00 0.00 56.93 55.78 2hg6 s PHE 21 Cb 0.03 -3.00 0.04 0.00 -0.34 0.00 0.00 43.02 39.75 2hg6 s PHE 21 CO -0.03 -0.65 1.08 1.21 -1.46 0.00 0.00 175.22 175.37 2hg6 s ASN 22 N 1.83 6.32 0.35 6.13 3.84 -0.27 -4.76 114.94 128.37 2hg6 s ASN 22 Ca 0.17 -0.32 0.13 0.00 0.21 0.00 0.00 52.86 53.06 2hg6 s ASN 22 Cb -0.16 -2.49 0.65 0.00 -0.55 0.00 0.00 41.25 38.70 2hg6 s ASN 22 CO 0.15 -1.45 1.77 0.08 -2.79 0.00 0.00 177.10 174.86 2hg6 h ARG 23 N 9.55 0.00 0.13 0.43 0.11 -1.84 0.21 114.38 122.97 2hg6 h ARG 23 Ca -0.26 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.81 2hg6 h ARG 23 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 2hg6 h ARG 23 CO 1.17 0.43 -0.06 -0.22 0.10 0.00 0.00 179.97 181.38 2hg6 h LYS 24 N 0.00 -0.17 0.00 0.08 3.64 -1.90 -2.88 116.57 115.34 2hg6 h LYS 24 Ca -0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2hg6 h LYS 24 Cb 0.79 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2hg6 h LYS 24 CO 0.06 -0.01 -0.34 1.79 -2.27 0.00 0.00 179.45 178.68 2hg6 h THR 25 N -0.30 0.60 0.00 1.00 1.35 -1.97 -3.47 112.91 110.11 2hg6 h THR 25 Ca -0.02 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2hg6 h THR 25 Cb 0.24 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2hg6 h THR 25 CO 0.03 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 2hg6 n GLY 26 N 1.10 0.56 3.52 5.82 0.00 0.69 -5.05 105.19 111.83 2hg6 n GLY 26 Ca 0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.61 1.40 0.21 1.61 1.04 -0.86 -5.00 118.95 113.75 2hg6 s ARG 27 Ca 0.00 -1.02 -0.30 0.00 -1.04 0.00 0.00 55.73 53.37 2hg6 s ARG 27 Cb 0.00 0.48 -0.08 0.00 -2.04 0.00 0.00 34.95 33.31 2hg6 s ARG 27 CO 0.00 -0.58 1.09 0.71 -0.04 0.00 0.00 175.30 176.48 2hg6 s TYR 28 N -3.93 3.63 0.13 5.89 2.02 -1.26 -1.12 117.35 122.71 2hg6 s TYR 28 Ca 0.14 1.66 0.07 0.00 -0.37 0.00 0.00 57.07 58.57 2hg6 s TYR 28 Cb -0.00 -3.25 -0.04 0.00 -0.40 0.00 0.00 41.96 38.27 2hg6 s TYR 28 CO 0.01 -0.49 -0.17 0.96 -1.57 0.00 0.00 175.55 174.29 2hg6 s ILE 29 N -0.60 1.58 -0.25 2.71 -5.25 0.73 -4.87 121.20 115.26 2hg6 s ILE 29 Ca 0.47 -1.74 -0.07 0.00 -0.99 0.00 0.00 60.65 58.32 2hg6 s ILE 29 Cb -0.30 -1.63 -0.03 0.00 2.95 0.00 0.00 42.46 43.45 2hg6 s ILE 29 CO 0.36 -0.30 0.07 -0.69 -1.79 0.00 0.00 174.94 172.60 2hg6 s VAL 30 N -1.87 4.35 -0.13 8.37 1.01 -1.26 -1.10 120.40 129.77 2hg6 s VAL 30 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2hg6 s VAL 30 Cb -0.06 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2hg6 s VAL 30 CO 0.05 0.34 -0.06 -0.13 0.00 0.00 0.00 175.10 175.30 2hg6 s ARG 31 N 1.57 3.44 0.10 2.72 1.81 0.53 -4.98 118.95 124.14 2hg6 s ARG 31 Ca 0.06 -0.55 0.25 0.00 -1.72 0.00 0.00 55.73 53.77 2hg6 s ARG 31 Cb -0.15 -2.81 0.48 0.00 -0.45 0.00 0.00 34.95 32.02 2hg6 s ARG 31 CO 0.04 0.33 1.42 1.19 -0.68 0.00 0.00 175.30 177.60 2hg6 n PHE 32 N 3.25 0.48 -4.44 -0.53 3.72 -1.26 0.31 117.46 118.98 2hg6 n PHE 32 Ca -0.18 0.14 -0.24 0.00 -0.05 0.00 0.00 57.45 57.12 2hg6 n PHE 32 Cb 0.53 -0.61 -0.17 0.00 -0.94 0.00 0.00 39.48 38.29 2hg6 n PHE 32 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2hg6 s SER 33 N -3.99 1.64 0.16 4.37 0.01 -1.26 -4.68 113.70 109.96 2hg6 s SER 33 Ca 0.08 -0.26 0.20 0.00 1.31 0.00 0.00 55.95 57.28 2hg6 s SER 33 Cb 0.14 -0.75 0.84 0.00 0.21 0.00 0.00 66.02 66.47 2hg6 s SER 33 CO 0.69 0.00 1.62 -1.84 0.41 0.00 0.00 173.24 174.12 2hg6 n GLU 34 N 3.96 0.12 0.00 12.44 0.28 -1.26 -1.74 120.64 134.44 2hg6 n GLU 34 Ca -0.22 0.36 0.14 0.00 -0.16 0.00 0.00 57.16 57.27 2hg6 n GLU 34 Cb 0.51 -1.73 0.54 0.00 1.43 0.00 0.00 31.44 32.19 2hg6 n GLU 34 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2hg6 n ASP 35 N -1.96 0.73 -1.51 -1.84 8.00 -1.26 -3.87 116.55 114.85 2hg6 n ASP 35 Ca 0.03 -0.78 -0.07 0.00 0.71 0.00 0.00 54.79 54.67 2hg6 n ASP 35 Cb 0.21 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.44 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2hg6 n SER 36 N -0.75 3.41 -1.97 -2.24 7.64 -0.71 -4.88 113.62 114.11 2hg6 n SER 36 Ca 0.14 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.30 2hg6 n SER 36 Cb 0.30 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2hg6 n SER 36 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2hg6 n PHE 37 N -0.14 -3.31 -2.56 1.43 -1.74 -1.25 -5.05 117.46 104.83 2hg6 n PHE 37 Ca 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.15 2hg6 n PHE 37 Cb 0.99 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.99 2hg6 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2hg6 n GLY 38 N 5.00 3.81 0.20 4.97 0.00 -1.19 -4.98 105.19 113.00 2hg6 n GLY 38 Ca 0.00 -1.08 0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 1.61 -0.00 -2.01 -3.30 114.93 111.23 2hg6 h MET 39 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2hg6 h MET 39 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2hg6 h MET 39 CO 0.00 0.00 -0.26 0.22 -0.00 0.00 0.00 176.91 176.87 2hg6 h ASP 40 N 0.00 0.00 -2.55 -0.10 3.58 -2.01 -3.43 116.42 111.91 2hg6 h ASP 40 Ca 0.00 -0.10 -0.54 0.00 0.42 0.00 0.00 57.03 56.82 2hg6 h ASP 40 Cb 0.76 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.75 2hg6 h ASP 40 CO 0.00 0.68 1.13 -0.69 -2.88 0.00 0.00 179.24 177.49 2hg6 s VAL 41 N -1.90 3.69 0.36 2.25 1.01 -1.24 -4.71 120.40 119.87 2hg6 s VAL 41 Ca -0.08 0.52 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 2hg6 s VAL 41 Cb 0.01 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 2hg6 s VAL 41 CO 0.16 -1.30 1.19 0.00 0.00 0.00 0.00 175.10 175.15 2hg6 s ALA 42 N 6.50 3.29 -1.32 5.51 0.00 -1.26 -3.18 121.76 131.30 2hg6 s ALA 42 Ca 0.50 1.04 0.22 0.00 0.00 0.00 0.00 51.96 53.72 2hg6 s ALA 42 Cb -0.10 -3.40 1.05 0.00 0.00 0.00 0.00 23.12 20.67 2hg6 s ALA 42 CO 0.22 -0.50 1.70 -0.40 0.00 0.00 0.00 175.76 176.78 2hg6 n ASP 43 N 0.47 0.00 0.04 0.00 5.75 -1.26 -1.14 116.55 120.40 2hg6 n ASP 43 Ca 0.02 0.11 0.12 0.00 -0.01 0.00 0.00 54.79 55.04 2hg6 n ASP 43 Cb 0.45 -0.34 0.30 0.00 -1.03 0.00 0.00 41.12 40.49 2hg6 n ASP 43 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2hg6 n ASP 44 N -1.34 0.53 -1.65 -1.12 2.03 -1.26 -3.52 116.55 110.23 2hg6 n ASP 44 Ca 0.09 0.12 0.09 0.00 0.52 0.00 0.00 54.79 55.60 2hg6 n ASP 44 Cb 0.19 -0.03 0.37 0.00 -0.72 0.00 0.00 41.12 40.93 2hg6 n ASP 44 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2hg6 n SER 45 N -1.83 5.04 -4.48 1.67 7.64 -0.29 -4.92 113.62 116.45 2hg6 n SER 45 Ca 0.05 -2.63 -0.33 0.00 1.01 0.00 0.00 58.87 56.96 2hg6 n SER 45 Cb 0.39 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.85 2hg6 n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2hg6 s ILE 46 N -2.19 3.38 -0.03 0.44 1.01 -1.23 -2.83 121.20 119.74 2hg6 s ILE 46 Ca 0.52 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 2hg6 s ILE 46 Cb 0.36 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.47 2hg6 s ILE 46 CO 0.21 0.56 0.05 -0.89 0.00 0.00 0.00 174.94 174.87 2hg6 s THR 47 N -0.26 -0.06 0.17 2.92 2.01 0.62 -4.95 115.64 116.09 2hg6 s THR 47 Ca 0.03 0.21 -0.33 0.00 0.31 0.00 0.00 61.69 61.90 2hg6 s THR 47 Cb -0.13 -0.11 -0.15 0.00 0.01 0.00 0.00 72.50 72.12 2hg6 s THR 47 CO 0.03 0.09 1.33 -0.81 -0.69 0.00 0.00 174.62 174.56 2hg6 n PRO 48 N 4.19 1.56 0.24 4.92 -0.04 -1.26 0.09 135.00 144.70 2hg6 n PRO 48 Ca -0.28 0.56 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2hg6 n PRO 48 Cb 0.50 -2.17 0.59 0.00 -0.04 0.00 0.00 33.50 32.38 2hg6 n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hg6 h THR 49 N 3.05 0.91 -0.25 0.52 1.03 -0.81 0.11 112.91 117.46 2hg6 h THR 49 Ca -0.45 -0.62 -0.06 0.00 -0.01 0.00 0.00 66.41 65.27 2hg6 h THR 49 Cb 1.31 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.74 2hg6 h THR 49 CO 0.76 0.16 -0.09 -1.28 -0.01 0.00 0.00 175.52 175.06 2hg6 h SER 50 N 0.00 0.51 1.25 0.00 0.87 -1.79 -2.76 113.55 111.64 2hg6 h SER 50 Ca -0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2hg6 h SER 50 Cb 0.34 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2hg6 h SER 50 CO 0.02 0.78 0.00 1.21 -0.53 0.00 0.00 176.83 178.32 2hg6 n GLU 51 N -4.52 0.25 0.13 2.24 2.13 -0.66 -2.69 120.64 117.53 2hg6 n GLU 51 Ca -0.04 0.29 -0.02 0.00 0.66 0.00 0.00 57.16 58.05 2hg6 n GLU 51 Cb 0.32 -1.84 0.14 0.00 0.27 0.00 0.00 31.44 30.33 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 0.02 0.00 4.31 3.57 -0.54 -2.94 116.94 121.36 2hg6 h PHE 52 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2hg6 h PHE 52 Cb 0.63 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2hg6 h PHE 52 CO 0.00 0.67 -0.19 -0.39 -2.23 0.00 0.00 178.31 176.17 2hg6 h VAL 53 N 0.01 0.00 -3.37 1.41 -1.51 -1.30 -3.44 116.25 108.06 2hg6 h VAL 53 Ca -0.01 -0.89 -0.57 0.00 -1.23 0.00 0.00 66.70 64.00 2hg6 h VAL 53 Cb 1.17 1.79 -0.07 0.00 -2.13 0.00 0.00 31.29 32.05 2hg6 h VAL 53 CO 0.09 0.00 0.10 0.26 -1.23 0.00 0.00 177.57 176.78 2hg6 s TRP 54 N -3.21 3.49 -0.44 5.19 0.52 -1.11 -0.27 118.94 123.10 2hg6 s TRP 54 Ca 0.06 1.10 -0.08 0.00 0.02 0.00 0.00 56.10 57.21 2hg6 s TRP 54 Cb 0.07 -2.79 0.10 0.00 -1.15 0.00 0.00 33.47 29.70 2hg6 s TRP 54 CO 0.68 -0.01 0.29 -1.12 0.02 0.00 0.00 176.95 176.80 2hg6 s SER 55 N 0.93 5.60 -0.29 2.95 0.01 0.13 -4.86 113.70 118.17 2hg6 s SER 55 Ca 0.33 -1.75 -0.29 0.00 1.31 0.00 0.00 55.95 55.56 2hg6 s SER 55 Cb -0.17 -1.97 -0.00 0.00 0.21 0.00 0.00 66.02 64.09 2hg6 s SER 55 CO 0.14 -0.60 1.39 -0.44 0.41 0.00 0.00 173.24 174.13 2hg6 s SER 56 N 2.31 6.57 0.00 2.44 0.01 -1.26 -1.45 113.70 122.32 2hg6 s SER 56 Ca 0.05 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2hg6 s SER 56 Cb -0.24 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2hg6 s SER 56 CO -0.00 -1.16 0.40 1.33 0.41 0.00 0.00 173.24 174.23 2hg6 n VAL 57 N 6.34 0.04 -3.62 3.43 0.24 -1.23 -5.00 118.33 118.52 2hg6 n VAL 57 Ca 0.16 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.96 2hg6 n VAL 57 Cb 0.46 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 2hg6 n VAL 57 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2hg6 s ARG 58 N -0.04 1.34 0.16 7.34 3.52 -0.71 -5.00 118.95 125.57 2hg6 s ARG 58 Ca 0.00 -0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 54.73 2hg6 s ARG 58 Cb 0.00 0.55 0.06 0.00 -1.56 0.00 0.00 34.95 34.00 2hg6 s ARG 58 CO 0.00 -0.58 1.77 -0.44 -0.81 0.00 0.00 175.30 175.25 2hg6 h ASP 59 N 2.13 0.26 0.00 -2.12 5.19 -2.03 -3.30 116.42 116.55 2hg6 h ASP 59 Ca -0.30 0.02 -0.29 0.00 -0.62 0.00 0.00 57.03 55.84 2hg6 h ASP 59 Cb 1.28 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.71 2hg6 h ASP 59 CO 0.37 0.19 -2.07 -0.67 -3.12 0.00 0.00 179.24 173.95 2hg6 n ASP 60 N -4.94 1.39 -4.61 6.45 2.03 -1.26 -4.90 116.55 110.72 2hg6 n ASP 60 Ca 0.02 -0.02 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 2hg6 n ASP 60 Cb 0.10 0.68 -0.10 0.00 -0.72 0.00 0.00 41.12 41.09 2hg6 n ASP 60 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hg6 s VAL 61 N -2.38 4.90 0.15 5.18 1.01 -1.24 -0.92 120.40 127.09 2hg6 s VAL 61 Ca -0.11 0.02 0.09 0.00 0.00 0.00 0.00 61.98 61.97 2hg6 s VAL 61 Cb 0.05 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2hg6 s VAL 61 CO 0.60 0.40 -0.19 -0.04 0.00 0.00 0.00 175.10 175.87 2hg6 s MET 62 N 0.85 1.24 0.29 2.72 -1.94 -0.83 -1.73 119.30 119.90 2hg6 s MET 62 Ca 0.05 -1.34 0.05 0.00 -1.71 0.00 0.00 55.69 52.74 2hg6 s MET 62 Cb -0.13 -1.37 -0.06 0.00 2.01 0.00 0.00 34.83 35.27 2hg6 s MET 62 CO 0.03 0.29 -0.00 -0.98 -0.01 0.00 0.00 175.02 174.35 2hg6 s ARG 63 N -2.51 1.54 -0.08 2.03 1.70 -0.53 0.22 118.95 121.31 2hg6 s ARG 63 Ca 0.13 -1.81 -0.24 0.00 -0.47 0.00 0.00 55.73 53.33 2hg6 s ARG 63 Cb -0.07 -0.94 -0.03 0.00 -0.57 0.00 0.00 34.95 33.34 2hg6 s ARG 63 CO 0.06 -0.08 0.75 -1.17 -1.08 0.00 0.00 175.30 173.78 2hg6 s LEU 64 N -3.43 4.29 -0.10 -1.89 1.98 -0.19 0.21 118.68 119.55 2hg6 s LEU 64 Ca 0.32 1.22 -0.16 0.00 -2.89 0.00 0.00 54.13 52.62 2hg6 s LEU 64 Cb 0.06 -3.15 -0.05 0.00 0.66 0.00 0.00 46.19 43.71 2hg6 s LEU 64 CO 0.13 -0.19 0.41 -0.83 -1.89 0.00 0.00 176.35 173.97 2hg6 s GLY 65 N 0.91 2.36 0.55 7.98 0.00 0.62 -4.85 107.32 114.89 2hg6 s GLY 65 Ca 0.39 -0.27 0.33 0.00 0.00 0.00 0.00 44.72 45.17 2hg6 s GLY 65 CO 0.18 0.52 1.98 3.21 0.00 0.00 0.00 173.10 178.98 2hg6 h ARG 66 N 6.20 0.00 -0.60 2.90 2.47 -1.96 -3.31 114.38 120.07 2hg6 h ARG 66 Ca -0.44 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.38 2hg6 h ARG 66 Cb 1.19 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.43 2hg6 h ARG 66 CO 0.72 0.01 0.21 0.93 0.56 0.00 0.00 179.97 182.40 2hg6 h GLU 67 N 0.00 0.37 -0.89 0.04 4.39 -1.93 -1.39 114.58 115.17 2hg6 h GLU 67 Ca -0.00 -0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.89 2hg6 h GLU 67 Cb 0.52 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 2hg6 h GLU 67 CO 0.00 0.25 0.60 -0.56 -1.16 0.00 0.00 179.01 178.13 2hg6 h GLN 68 N 0.38 0.31 -0.66 2.33 -0.00 -1.84 -1.09 115.11 114.54 2hg6 h GLN 68 Ca 0.30 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.96 2hg6 h GLN 68 Cb 0.39 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.48 27.76 2hg6 h GLN 68 CO -0.32 0.21 0.44 -0.07 -0.00 0.00 0.00 178.83 179.09 2hg6 h LEU 69 N 0.32 0.72 -0.52 0.06 3.38 -1.49 -0.92 115.31 116.86 2hg6 h LEU 69 Ca 0.45 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 2hg6 h LEU 69 Cb 1.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2hg6 h LEU 69 CO -0.14 0.51 0.10 1.56 0.09 0.00 0.00 178.44 180.56 2hg6 h GLN 70 N 0.85 0.86 0.02 1.13 1.08 -1.31 0.16 115.11 117.89 2hg6 h GLN 70 Ca 0.25 -0.22 -0.24 0.00 -1.45 0.00 0.00 58.65 56.99 2hg6 h GLN 70 Cb -0.02 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2hg6 h GLN 70 CO -0.06 0.83 -1.00 0.82 -0.95 0.00 0.00 178.83 178.47 2hg6 h ILE 71 N 0.74 1.38 -0.04 2.54 2.04 -1.58 -3.32 117.51 119.28 2hg6 h ILE 71 Ca 0.16 -2.45 -0.14 0.00 1.00 0.00 0.00 64.86 63.43 2hg6 h ILE 71 Cb 0.38 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2hg6 h ILE 71 CO 0.01 0.74 -0.62 -0.07 0.00 0.00 0.00 178.15 178.20 2hg6 h LEU 72 N 0.25 0.15 -2.15 1.44 3.38 -0.85 -3.03 115.31 114.50 2hg6 h LEU 72 Ca -0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2hg6 h LEU 72 Cb 1.64 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2hg6 h LEU 72 CO 0.18 0.73 -0.07 0.17 0.09 0.00 0.00 178.44 179.54 2hg6 h LEU 73 N 0.10 0.00 -1.54 1.67 8.10 -0.78 -0.60 115.31 122.25 2hg6 h LEU 73 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 2hg6 h LEU 73 Cb 1.12 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.34 2hg6 h LEU 73 CO 0.09 0.07 -0.11 -0.33 -4.11 0.00 0.00 178.44 174.05 2hg6 h GLU 74 N 0.00 0.00 -4.37 0.17 5.08 -1.68 -3.38 114.58 110.40 2hg6 h GLU 74 Ca -0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.69 2hg6 h GLU 74 Cb 0.22 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.08 2hg6 h GLU 74 CO 0.01 0.11 -0.65 -0.65 -1.00 0.00 0.00 179.01 176.83 2hg6 s GLN 75 N -3.82 1.72 0.00 2.33 -1.52 -0.23 -4.94 119.66 113.19 2hg6 s GLN 75 Ca -0.00 -2.03 0.11 0.00 -1.95 0.00 0.00 55.36 51.49 2hg6 s GLN 75 Cb 0.11 -3.32 0.34 0.00 -0.22 0.00 0.00 33.01 29.91 2hg6 s GLN 75 CO 0.58 -1.01 1.28 0.09 -0.25 0.00 0.00 175.29 175.98 2hg6 n ASN 76 N 4.08 1.78 -3.63 5.90 5.03 -1.26 -4.59 115.26 122.57 2hg6 n ASN 76 Ca 0.03 -1.97 -0.41 0.00 0.87 0.00 0.00 54.58 53.10 2hg6 n ASN 76 Cb 0.40 -0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 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 0.47 2.75 -0.34 2.41 -6.64 -1.26 -4.70 119.36 112.04 2hg6 n ILE 77 Ca 0.12 -2.30 -0.01 0.00 -1.77 0.00 0.00 62.75 58.78 2hg6 n ILE 77 Cb 0.29 -2.46 0.15 0.00 -1.44 0.00 0.00 39.64 36.17 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 6.76 1.08 -0.08 7.28 -0.73 -1.96 0.24 115.58 128.18 2hg6 h ASN 78 Ca 0.52 -0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.69 2hg6 h ASN 78 Cb 0.61 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.93 2hg6 h ASN 78 CO 1.89 0.78 0.06 -0.33 -0.37 0.00 0.00 177.43 179.46 2hg6 h GLU 79 N 1.27 0.00 0.02 6.67 4.39 -1.94 0.12 114.58 125.11 2hg6 h GLU 79 Ca 0.35 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.72 2hg6 h GLU 79 Cb -0.12 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 2hg6 h GLU 79 CO -0.08 0.00 -1.83 -2.13 -1.16 0.00 0.00 179.01 173.81 2hg6 n ARG 80 N -4.37 0.61 0.26 2.33 0.63 -0.57 -4.45 116.66 111.10 2hg6 n ARG 80 Ca -0.01 0.41 0.15 0.00 -0.92 0.00 0.00 57.85 57.49 2hg6 n ARG 80 Cb 0.17 -1.65 0.63 0.00 0.45 0.00 0.00 32.46 32.06 2hg6 n ARG 80 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2hg6 h LEU 81 N -0.77 0.00 1.37 6.15 5.85 -0.35 -3.47 115.31 124.10 2hg6 h LEU 81 Ca -0.48 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.01 2hg6 h LEU 81 Cb 1.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 2hg6 h LEU 81 CO -0.22 0.06 -0.30 0.59 -0.34 0.00 0.00 178.44 178.22 2hg6 n ASN 82 N -3.18 -3.78 -4.71 1.25 5.03 0.38 -4.61 115.26 105.64 2hg6 n ASN 82 Ca 0.00 -0.04 -0.42 0.00 0.87 0.00 0.00 54.58 54.99 2hg6 n ASN 82 Cb 0.34 -2.94 -0.03 0.00 -1.02 0.00 0.00 39.78 36.13 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2hg6 s ILE 83 N -2.64 3.84 0.75 2.41 1.09 -1.25 -4.19 121.20 121.21 2hg6 s ILE 83 Ca 0.03 1.33 -0.12 0.00 -1.10 0.00 0.00 60.65 60.79 2hg6 s ILE 83 Cb -0.01 -3.85 0.05 0.00 -1.06 0.00 0.00 42.46 37.58 2hg6 s ILE 83 CO 0.04 0.11 1.11 -0.83 -0.10 0.00 0.00 174.94 175.27 2hg6 s GLY 84 N 1.01 1.84 0.10 6.18 0.00 -1.26 -4.93 107.32 110.27 2hg6 s GLY 84 Ca 0.60 0.40 -0.20 0.00 0.00 0.00 0.00 44.72 45.51 2hg6 s GLY 84 CO 0.30 0.76 1.72 0.83 0.00 0.00 0.00 173.10 176.70 2hg6 h GLU 85 N -0.82 0.23 0.00 2.90 3.07 -1.94 -1.54 114.58 116.47 2hg6 h GLU 85 Ca -0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2hg6 h GLU 85 Cb 1.24 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2hg6 h GLU 85 CO 0.51 0.21 0.00 -1.35 -1.40 0.00 0.00 179.01 176.99 2hg6 h PRO 86 N 0.18 0.00 0.00 2.33 0.11 -1.93 -0.43 132.00 132.26 2hg6 h PRO 86 Ca 0.06 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 2hg6 h PRO 86 Cb 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2hg6 h PRO 86 CO -0.01 0.00 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.42 2hg6 h LEU 87 N 0.00 0.00 -0.13 2.35 -0.00 -1.57 -2.14 115.31 113.81 2hg6 h LEU 87 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 2hg6 h LEU 87 Cb 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2hg6 h LEU 87 CO 0.00 0.29 -0.74 -0.07 -0.00 0.00 0.00 178.44 177.92 2hg6 h LEU 88 N 0.00 0.87 -0.83 1.67 3.38 -0.85 -3.19 115.31 116.35 2hg6 h LEU 88 Ca -0.00 -0.64 -0.12 0.00 0.09 0.00 0.00 57.88 57.20 2hg6 h LEU 88 Cb 1.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2hg6 h LEU 88 CO 0.04 1.38 -0.57 -0.37 0.09 0.00 0.00 178.44 179.00 2hg6 h VAL 89 N 0.43 1.38 -0.70 1.22 -1.51 -1.49 -2.85 116.25 112.73 2hg6 h VAL 89 Ca -0.06 -1.98 0.20 0.00 -1.23 0.00 0.00 66.70 63.64 2hg6 h VAL 89 Cb 1.37 2.07 -0.03 0.00 -2.13 0.00 0.00 31.29 32.58 2hg6 h VAL 89 CO 0.15 0.56 0.58 0.22 -1.23 0.00 0.00 177.57 177.85 2hg6 h TYR 90 N 0.00 0.00 -0.23 5.19 3.20 -1.37 0.48 116.97 124.24 2hg6 h TYR 90 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2hg6 h TYR 90 Cb 1.03 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2hg6 h TYR 90 CO 0.00 0.00 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.42 2hg6 h LEU 91 N 0.00 0.32 0.08 2.82 3.38 -1.59 -3.23 115.31 117.09 2hg6 h LEU 91 Ca 0.33 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.97 2hg6 h LEU 91 Cb 1.48 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2hg6 h LEU 91 CO -0.00 0.40 -1.51 0.03 0.09 0.00 0.00 178.44 177.45 2hg6 h ARG 92 N 0.33 0.18 -2.29 1.13 3.08 -0.28 -3.49 114.38 113.04 2hg6 h ARG 92 Ca 0.07 -0.30 0.11 0.00 0.07 0.00 0.00 59.98 59.94 2hg6 h ARG 92 Cb 0.28 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.29 2hg6 h ARG 92 CO 0.01 1.14 0.49 0.50 -1.07 0.00 0.00 179.97 181.05 2hg6 s ARG 93 N -2.46 0.85 0.21 0.04 3.52 -0.36 -5.16 118.95 115.59 2hg6 s ARG 93 Ca -0.23 -0.33 0.08 0.00 -0.13 0.00 0.00 55.73 55.12 2hg6 s ARG 93 Cb 0.05 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 2hg6 s ARG 93 CO 0.72 -0.38 -0.01 1.14 -0.81 0.00 0.00 175.30 175.96 2hg6 s GLN 94 N -3.14 2.32 0.00 5.12 -2.07 -1.26 -3.59 119.66 117.04 2hg6 s GLN 94 Ca 0.06 -1.24 0.00 0.00 -1.82 0.00 0.00 55.36 52.36 2hg6 s GLN 94 Cb -0.01 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 2hg6 s GLN 94 CO -0.08 0.42 0.83 -3.47 -1.32 0.00 0.00 175.29 171.67 2hg6 n ASP 95 N -0.38 0.00 -4.82 12.60 2.03 -1.26 -4.73 116.55 119.98 2hg6 n ASP 95 Ca -0.09 0.87 -0.34 0.00 0.52 0.00 0.00 54.79 55.75 2hg6 n ASP 95 Cb 0.57 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.49 2hg6 n ASP 95 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hg6 s LEU 96 N -3.43 4.04 0.30 -2.67 1.43 -1.26 -4.96 118.68 112.12 2hg6 s LEU 96 Ca 0.00 1.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 2hg6 s LEU 96 Cb 0.00 -4.33 0.58 0.00 0.03 0.00 0.00 46.19 42.47 2hg6 s LEU 96 CO 0.00 -0.27 1.86 -0.65 0.23 0.00 0.00 176.35 177.52 2hg6 h PRO 97 N 2.23 0.95 -3.85 1.29 0.11 -2.05 -3.33 132.00 127.35 2hg6 h PRO 97 Ca -0.48 -0.06 -0.59 0.00 0.11 0.00 0.00 66.00 64.98 2hg6 h PRO 97 Cb 1.18 -0.21 -0.40 0.00 0.11 0.00 0.00 31.00 31.68 2hg6 h PRO 97 CO 0.63 0.63 -0.76 -1.21 -0.21 0.00 0.00 178.00 177.08 2hg6 s GLU 98 N -5.91 0.96 -0.46 1.05 0.41 -1.26 -5.08 118.70 108.41 2hg6 s GLU 98 Ca -0.12 -1.12 -0.28 0.00 -0.41 0.00 0.00 54.97 53.05 2hg6 s GLU 98 Cb 0.22 -2.28 0.03 0.00 -1.78 0.00 0.00 34.13 30.31 2hg6 s GLU 98 CO 0.80 -0.88 1.06 0.42 -0.49 0.00 0.00 175.26 176.18 2hg6 s ILE 99 N 1.50 4.31 0.16 -1.63 1.01 -1.25 -5.00 121.20 120.29 2hg6 s ILE 99 Ca 0.06 1.11 0.10 0.00 0.00 0.00 0.00 60.65 61.92 2hg6 s ILE 99 Cb -0.18 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.72 2hg6 s ILE 99 CO -0.18 -0.91 -0.22 0.42 0.00 0.00 0.00 174.94 174.05 2hg6 s THR 100 N 4.17 2.05 -0.09 2.92 -4.23 -1.26 -1.02 115.64 118.17 2hg6 s THR 100 Ca 0.44 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2hg6 s THR 100 Cb -0.08 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.87 2hg6 s THR 100 CO 0.29 -0.14 -0.04 0.00 -0.54 0.00 0.00 174.62 174.18 2hg6 s ALA 101 N -1.62 1.02 0.13 3.99 0.00 0.13 -4.97 121.76 120.45 2hg6 s ALA 101 Ca 0.16 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.83 2hg6 s ALA 101 Cb -0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2hg6 s ALA 101 CO 0.07 -0.42 -0.01 1.14 0.00 0.00 0.00 175.76 176.54 2hg6 s GLN 102 N 1.81 2.45 -0.36 0.00 -2.07 -1.26 -1.96 119.66 118.27 2hg6 s GLN 102 Ca 0.04 -0.96 -0.41 0.00 -1.82 0.00 0.00 55.36 52.21 2hg6 s GLN 102 Cb -0.12 -2.45 -0.16 0.00 -1.09 0.00 0.00 33.01 29.19 2hg6 s GLN 102 CO -0.07 0.50 1.84 0.54 -1.32 0.00 0.00 175.29 176.79 2hg6 n ARG 103 N 0.28 0.77 -2.69 9.60 5.12 -0.10 -4.86 116.66 124.78 2hg6 n ARG 103 Ca -0.11 0.27 -0.42 0.00 -1.93 0.00 0.00 57.85 55.66 2hg6 n ARG 103 Cb 0.53 -1.97 -0.03 0.00 -1.16 0.00 0.00 32.46 29.83 2hg6 n ARG 103 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2hg6 s GLN 104 N 4.21 3.32 -0.26 5.56 -2.07 -1.26 -4.82 119.66 124.33 2hg6 s GLN 104 Ca 1.04 -0.83 0.13 0.00 -1.82 0.00 0.00 55.36 53.89 2hg6 s GLN 104 Cb -1.18 -4.57 0.69 0.00 -1.09 0.00 0.00 33.01 26.86 2hg6 s GLN 104 CO 0.66 -2.02 1.66 1.28 -1.32 0.00 0.00 175.29 175.56 2hg6 n LEU 105 N 8.39 5.22 -0.54 2.60 4.77 -1.26 -5.32 117.00 130.87 2hg6 n LEU 105 Ca 0.11 -3.14 0.14 0.00 -0.03 0.00 0.00 56.01 53.09 2hg6 n LEU 105 Cb 0.48 -0.67 0.47 0.00 -2.33 0.00 0.00 43.42 41.38 2hg6 n LEU 105 CO 0.65 0.76 0.84 0.54 -1.33 0.00 0.00 177.39 178.85