#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 3.17 0.36 6.12 0.01 -1.26 -5.11 113.70 116.98 2hg6 s SER 2 Ca 0.00 -0.55 -0.26 0.00 1.31 0.00 0.00 55.95 56.45 2hg6 s SER 2 Cb 0.00 -1.43 -0.09 0.00 0.21 0.00 0.00 66.02 64.70 2hg6 s SER 2 CO 0.00 0.14 1.05 -0.63 0.41 0.00 0.00 173.24 174.21 2hg6 s ILE 3 N 0.46 3.71 0.64 1.44 -1.09 -1.26 -5.04 121.20 120.06 2hg6 s ILE 3 Ca -0.15 1.43 -0.01 0.00 -2.23 0.00 0.00 60.65 59.68 2hg6 s ILE 3 Cb -0.17 -3.80 0.07 0.00 -1.58 0.00 0.00 42.46 36.98 2hg6 s ILE 3 CO 0.06 0.12 0.90 0.42 -1.23 0.00 0.00 174.94 175.22 2hg6 s THR 4 N -1.51 2.41 0.00 2.92 -4.23 -1.26 -5.10 115.64 108.87 2hg6 s THR 4 Ca 0.53 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2hg6 s THR 4 Cb -0.24 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2hg6 s THR 4 CO 0.31 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 173.19 2hg6 n SER 5 N -2.64 -0.44 0.18 3.99 7.64 -1.26 -4.78 113.62 116.32 2hg6 n SER 5 Ca 0.10 -0.77 0.17 0.00 1.01 0.00 0.00 58.87 59.39 2hg6 n SER 5 Cb 0.60 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.47 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 -1.21 0.16 -0.08 0.44 2.02 -2.03 0.10 112.91 112.31 2hg6 h THR 6 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2hg6 h THR 6 Cb 0.00 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2hg6 h THR 6 CO 0.00 0.00 0.26 0.44 0.37 0.00 0.00 175.52 176.59 2hg6 h ASP 7 N 0.00 0.00 -0.91 4.18 5.19 -2.00 -0.33 116.42 122.56 2hg6 h ASP 7 Ca 0.13 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.61 2hg6 h ASP 7 Cb 1.20 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.65 2hg6 h ASP 7 CO -0.00 0.00 0.59 -0.29 -3.12 0.00 0.00 179.24 176.42 2hg6 h ILE 8 N 0.00 1.04 -0.00 0.35 2.10 -1.27 -0.20 117.51 119.54 2hg6 h ILE 8 Ca 0.04 -0.35 -0.17 0.00 1.08 0.00 0.00 64.86 65.46 2hg6 h ILE 8 Cb 0.55 -0.05 -0.02 0.00 -1.09 0.00 0.00 36.82 36.21 2hg6 h ILE 8 CO -0.00 0.18 -0.79 0.00 -1.08 0.00 0.00 178.15 176.46 2hg6 h GLN 10 N 0.03 0.75 0.00 0.00 1.08 -1.16 -2.27 115.11 113.54 2hg6 h GLN 10 Ca -0.01 -0.35 -0.02 0.00 -1.45 0.00 0.00 58.65 56.81 2hg6 h GLN 10 Cb 1.39 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2hg6 h GLN 10 CO 0.11 0.97 -0.10 0.00 -0.95 0.00 0.00 178.83 178.86 2hg6 h ALA 11 N 1.00 1.04 0.00 3.87 0.00 -1.11 -2.06 119.26 121.99 2hg6 h ALA 11 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2hg6 h ALA 11 Cb 0.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2hg6 h ALA 11 CO 0.07 0.12 -0.32 0.00 0.00 0.00 0.00 179.25 179.13 2hg6 h ALA 12 N 1.90 0.91 0.00 0.00 0.00 -1.36 -2.55 119.26 118.16 2hg6 h ALA 12 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2hg6 h ALA 12 Cb 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2hg6 h ALA 12 CO 0.01 0.40 -0.11 0.22 0.00 0.00 0.00 179.25 179.77 2hg6 h ASP 13 N 0.00 0.00 0.38 0.00 1.82 -1.18 -3.14 116.42 114.30 2hg6 h ASP 13 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2hg6 h ASP 13 Cb 0.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 2hg6 h ASP 13 CO 0.04 0.11 -0.11 0.00 -1.61 0.00 0.00 179.24 177.67 2hg6 n ALA 14 N -2.13 2.76 -1.99 -0.78 0.00 -0.97 -4.74 120.51 112.67 2hg6 n ALA 14 Ca 0.03 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 2hg6 n ALA 14 Cb 0.52 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.50 4.37 -0.04 0.00 1.43 -1.19 -5.01 118.68 115.75 2hg6 s LEU 15 Ca 0.28 2.55 0.04 0.00 -1.03 0.00 0.00 54.13 55.97 2hg6 s LEU 15 Cb 0.20 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2hg6 s LEU 15 CO 0.48 -0.79 -0.16 -1.59 0.23 0.00 0.00 176.35 174.53 2hg6 s LYS 16 N 1.18 2.43 0.00 1.70 -2.85 -1.04 -3.45 119.74 117.72 2hg6 s LYS 16 Ca 0.69 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 2hg6 s LYS 16 Cb -0.42 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 2hg6 s LYS 16 CO 0.31 0.61 0.00 0.41 0.10 0.00 0.00 175.35 176.78 2hg6 n GLY 17 N 2.26 4.47 3.38 0.59 0.00 -1.26 -4.35 105.19 110.29 2hg6 n GLY 17 Ca -0.17 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.71 2.96 -0.14 1.61 0.08 0.19 -0.14 117.98 120.83 2hg6 s PHE 18 Ca 0.00 -0.67 -0.14 0.00 0.12 0.00 0.00 56.93 56.24 2hg6 s PHE 18 Cb 0.00 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 2hg6 s PHE 18 CO 0.00 -0.33 0.32 0.08 -0.10 0.00 0.00 175.22 175.18 2hg6 s VAL 19 N 0.98 5.27 0.16 -0.44 1.01 0.48 -0.31 120.40 127.55 2hg6 s VAL 19 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 2hg6 s VAL 19 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2hg6 s VAL 19 CO 0.01 0.42 0.32 -0.83 0.00 0.00 0.00 175.10 175.01 2hg6 s GLY 20 N 0.23 0.26 -0.43 4.51 0.00 0.28 -2.32 107.32 109.85 2hg6 s GLY 20 Ca 0.18 -0.67 -0.17 0.00 0.00 0.00 0.00 44.72 44.06 2hg6 s GLY 20 CO 0.06 -0.69 0.43 -0.12 0.00 0.00 0.00 173.10 172.77 2hg6 s PHE 21 N -3.92 3.18 -0.22 1.90 5.36 -1.26 -0.39 117.98 122.63 2hg6 s PHE 21 Ca 0.13 -0.44 -0.20 0.00 -0.96 0.00 0.00 56.93 55.46 2hg6 s PHE 21 Cb 0.03 -2.91 -0.03 0.00 -0.34 0.00 0.00 43.02 39.77 2hg6 s PHE 21 CO -0.03 -0.71 0.59 1.21 -1.46 0.00 0.00 175.22 174.82 2hg6 s ASN 22 N 1.88 6.61 0.63 6.13 2.47 -0.80 -4.77 114.94 127.08 2hg6 s ASN 22 Ca 0.11 0.73 0.40 0.00 0.42 0.00 0.00 52.86 54.52 2hg6 s ASN 22 Cb -0.18 -2.32 2.09 0.00 -1.45 0.00 0.00 41.25 39.38 2hg6 s ASN 22 CO 0.13 -0.27 2.26 0.08 -3.72 0.00 0.00 177.10 175.58 2hg6 h ARG 23 N 7.61 0.00 0.26 0.43 0.11 -1.88 0.15 114.38 121.06 2hg6 h ARG 23 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2hg6 h ARG 23 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2hg6 h ARG 23 CO 0.76 0.01 -0.13 -0.22 0.10 0.00 0.00 179.97 180.49 2hg6 h LYS 24 N 0.00 -0.34 0.00 0.08 1.63 -1.96 -3.30 116.57 112.69 2hg6 h LYS 24 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2hg6 h LYS 24 Cb 0.13 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2hg6 h LYS 24 CO 0.00 -0.03 -1.30 -2.37 -3.45 0.00 0.00 179.45 172.30 2hg6 n THR 25 N -5.11 0.41 -2.46 1.00 5.66 -1.13 -4.97 114.28 107.67 2hg6 n THR 25 Ca -0.09 -0.51 -0.09 0.00 -3.05 0.00 0.00 64.05 60.30 2hg6 n THR 25 Cb 0.24 -0.20 0.01 0.00 -1.55 0.00 0.00 70.33 68.83 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 1.22 0.13 3.26 1.09 0.00 0.51 -5.02 105.19 106.37 2hg6 n GLY 26 Ca -0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.86 1.60 -0.04 1.61 0.52 -1.22 -4.98 118.95 111.59 2hg6 s ARG 27 Ca 0.09 -1.91 -0.28 0.00 -0.52 0.00 0.00 55.73 53.12 2hg6 s ARG 27 Cb -0.04 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 2hg6 s ARG 27 CO 0.11 -0.57 0.89 0.71 0.02 0.00 0.00 175.30 176.46 2hg6 s TYR 28 N -3.65 3.61 0.28 -0.53 2.02 -1.26 -1.90 117.35 115.92 2hg6 s TYR 28 Ca 0.40 1.54 0.02 0.00 -0.37 0.00 0.00 57.07 58.66 2hg6 s TYR 28 Cb 0.04 -3.03 -0.05 0.00 -0.40 0.00 0.00 41.96 38.52 2hg6 s TYR 28 CO 0.23 -0.01 0.11 0.96 -1.57 0.00 0.00 175.55 175.27 2hg6 s ILE 29 N 1.09 0.58 -0.01 2.71 -5.25 0.48 -4.87 121.20 115.93 2hg6 s ILE 29 Ca 0.47 -2.00 0.07 0.00 -0.99 0.00 0.00 60.65 58.20 2hg6 s ILE 29 Cb -0.20 -2.61 -0.02 0.00 2.95 0.00 0.00 42.46 42.58 2hg6 s ILE 29 CO 0.23 0.00 -0.22 0.68 -1.79 0.00 0.00 174.94 173.85 2hg6 s VAL 30 N -3.64 1.72 0.10 8.37 -7.23 -1.26 -0.55 120.40 117.90 2hg6 s VAL 30 Ca 0.36 -0.96 0.04 0.00 -1.81 0.00 0.00 61.98 59.62 2hg6 s VAL 30 Cb 0.07 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 2hg6 s VAL 30 CO 0.15 0.46 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.68 2hg6 s ARG 31 N -0.58 0.87 0.00 4.82 6.06 0.57 -4.95 118.95 125.75 2hg6 s ARG 31 Ca 0.08 -1.14 0.20 0.00 -2.50 0.00 0.00 55.73 52.37 2hg6 s ARG 31 Cb -0.08 -0.64 0.34 0.00 0.06 0.00 0.00 34.95 34.63 2hg6 s ARG 31 CO -0.01 0.11 1.29 0.34 -2.50 0.00 0.00 175.30 174.53 2hg6 n PHE 32 N 0.66 0.38 -3.97 5.12 7.35 -1.26 -0.64 117.46 125.10 2hg6 n PHE 32 Ca -0.17 -0.22 -0.30 0.00 -0.76 0.00 0.00 57.45 56.01 2hg6 n PHE 32 Cb 0.57 -0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.23 2hg6 n PHE 32 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2hg6 s SER 33 N -1.39 2.99 0.30 -2.13 0.01 -1.26 -4.93 113.70 107.28 2hg6 s SER 33 Ca 0.32 -0.69 0.07 0.00 1.31 0.00 0.00 55.95 56.96 2hg6 s SER 33 Cb 0.19 -1.11 0.46 0.00 0.21 0.00 0.00 66.02 65.77 2hg6 s SER 33 CO 0.27 -0.13 1.70 -0.33 0.41 0.00 0.00 173.24 175.16 2hg6 h GLU 34 N 8.04 0.20 0.00 12.44 3.07 -1.96 -2.97 114.58 133.41 2hg6 h GLU 34 Ca -0.30 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 2hg6 h GLU 34 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2hg6 h GLU 34 CO 0.47 0.61 0.00 -3.47 -1.40 0.00 0.00 179.01 175.21 2hg6 n ASP 35 N -4.01 0.07 0.00 1.42 2.03 -1.26 -2.51 116.55 112.29 2hg6 n ASP 35 Ca -0.02 0.51 0.11 0.00 0.52 0.00 0.00 54.79 55.92 2hg6 n ASP 35 Cb 0.49 -0.53 0.53 0.00 -0.72 0.00 0.00 41.12 40.89 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2hg6 n SER 36 N -1.57 0.00 -3.98 1.67 7.64 -1.12 -4.34 113.62 111.92 2hg6 n SER 36 Ca 0.04 0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2hg6 n SER 36 Cb 0.22 -0.35 -0.15 0.00 -1.01 0.00 0.00 64.21 62.92 2hg6 n SER 36 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2hg6 s PHE 37 N -2.70 2.97 0.00 1.43 0.08 -1.04 -4.93 117.98 113.78 2hg6 s PHE 37 Ca 0.18 -2.27 0.00 0.00 0.12 0.00 0.00 56.93 54.95 2hg6 s PHE 37 Cb 0.15 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2hg6 s PHE 37 CO 0.36 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 2hg6 n GLY 38 N 4.50 -0.43 0.82 4.36 0.00 -1.26 -4.71 105.19 108.46 2hg6 n GLY 38 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.88 1.87 0.08 1.61 -0.00 -1.26 -4.49 117.12 113.05 2hg6 n MET 39 Ca 0.00 -1.81 -0.13 0.00 -0.00 0.00 0.00 57.70 55.76 2hg6 n MET 39 Cb 0.00 -1.37 -0.08 0.00 -0.00 0.00 0.00 33.22 31.76 2hg6 n MET 39 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2hg6 h ASP 40 N 3.52 -0.16 -4.35 3.17 5.19 -1.92 -3.45 116.42 118.42 2hg6 h ASP 40 Ca 0.00 -0.25 -0.37 0.00 -0.62 0.00 0.00 57.03 55.79 2hg6 h ASP 40 Cb 0.79 0.04 -0.25 0.00 0.18 0.00 0.00 39.33 40.10 2hg6 h ASP 40 CO 0.00 0.17 -0.77 -0.69 -3.12 0.00 0.00 179.24 174.84 2hg6 s VAL 41 N -4.83 0.78 0.28 -1.35 1.01 -1.26 -4.79 120.40 110.24 2hg6 s VAL 41 Ca -0.15 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2hg6 s VAL 41 Cb 0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 2hg6 s VAL 41 CO 0.62 -0.08 1.36 0.00 0.00 0.00 0.00 175.10 177.00 2hg6 s ALA 42 N -0.83 3.55 0.47 5.51 0.00 -1.26 -4.55 121.76 124.65 2hg6 s ALA 42 Ca -0.02 1.27 0.25 0.00 0.00 0.00 0.00 51.96 53.46 2hg6 s ALA 42 Cb -0.07 -3.51 1.46 0.00 0.00 0.00 0.00 23.12 20.99 2hg6 s ALA 42 CO 0.01 -0.67 2.11 0.38 0.00 0.00 0.00 175.76 177.58 2hg6 h ASP 43 N 4.33 0.00 0.56 0.00 2.03 -1.90 0.14 116.42 121.58 2hg6 h ASP 43 Ca -0.47 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.72 2hg6 h ASP 43 Cb 1.22 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 2hg6 h ASP 43 CO 0.72 0.10 -0.53 -0.78 -1.03 0.00 0.00 179.24 177.72 2hg6 h ASP 44 N 0.00 0.00 1.26 4.15 3.58 -2.02 -3.02 116.42 120.37 2hg6 h ASP 44 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hg6 h ASP 44 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2hg6 h ASP 44 CO 0.01 0.53 -0.54 0.28 -2.88 0.00 0.00 179.24 176.64 2hg6 h SER 45 N 0.00 0.00 -1.87 2.28 0.02 -1.14 -3.41 113.55 109.42 2hg6 h SER 45 Ca -0.01 -0.06 -0.51 0.00 -0.84 0.00 0.00 61.79 60.37 2hg6 h SER 45 Cb 0.95 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 2hg6 h SER 45 CO 0.07 0.03 1.18 -0.63 -1.14 0.00 0.00 176.83 176.34 2hg6 s ILE 46 N -3.24 3.61 -0.17 3.27 1.01 -0.52 -4.69 121.20 120.46 2hg6 s ILE 46 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2hg6 s ILE 46 Cb 0.10 -4.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 2hg6 s ILE 46 CO 0.72 -1.48 -0.11 -0.89 0.00 0.00 0.00 174.94 173.18 2hg6 s THR 47 N 7.11 3.04 0.40 2.92 2.01 -0.98 -4.91 115.64 125.24 2hg6 s THR 47 Ca 0.50 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 2hg6 s THR 47 Cb -0.08 -2.32 -0.10 0.00 0.01 0.00 0.00 72.50 70.00 2hg6 s THR 47 CO 0.11 0.49 1.40 -2.65 -0.69 0.00 0.00 174.62 173.28 2hg6 n PRO 48 N 4.15 2.32 0.12 4.92 -0.02 -1.26 -0.39 135.00 144.85 2hg6 n PRO 48 Ca -0.19 0.82 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 2hg6 n PRO 48 Cb 0.52 -2.55 0.47 0.00 -0.02 0.00 0.00 33.50 31.92 2hg6 n PRO 48 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2hg6 n THR 49 N 0.11 1.07 0.17 3.45 5.66 0.80 -0.42 114.28 125.12 2hg6 n THR 49 Ca 0.04 0.50 0.02 0.00 -3.05 0.00 0.00 64.05 61.56 2hg6 n THR 49 Cb 0.39 -1.46 0.33 0.00 -1.55 0.00 0.00 70.33 68.04 2hg6 n THR 49 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2hg6 h SER 50 N 0.00 0.03 0.00 1.09 0.02 -1.74 -3.18 113.55 109.77 2hg6 h SER 50 Ca 0.00 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 2hg6 h SER 50 Cb 0.14 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2hg6 h SER 50 CO 0.00 0.42 -1.98 1.21 -1.14 0.00 0.00 176.83 175.34 2hg6 n GLU 51 N -4.07 1.21 -0.13 3.45 2.13 0.02 -4.49 120.64 118.75 2hg6 n GLU 51 Ca -0.02 -0.05 0.07 0.00 0.66 0.00 0.00 57.16 57.82 2hg6 n GLU 51 Cb 0.43 -1.40 0.39 0.00 0.27 0.00 0.00 31.44 31.13 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 0.67 0.00 4.31 3.57 -0.74 -0.25 116.94 124.49 2hg6 h PHE 52 Ca -0.30 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2hg6 h PHE 52 Cb 1.62 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.14 2hg6 h PHE 52 CO 0.00 0.36 0.00 1.33 -2.23 0.00 0.00 178.31 177.77 2hg6 n VAL 53 N -4.47 0.39 -3.79 1.41 0.24 -1.21 -4.68 118.33 106.23 2hg6 n VAL 53 Ca 0.09 0.10 -0.36 0.00 -2.04 0.00 0.00 64.34 62.13 2hg6 n VAL 53 Cb 0.21 -0.71 -0.10 0.00 -1.47 0.00 0.00 33.84 31.77 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 -2.88 3.23 -0.32 6.34 0.52 -0.11 -0.42 118.94 125.31 2hg6 s TRP 54 Ca 0.14 0.01 -0.06 0.00 0.02 0.00 0.00 56.10 56.21 2hg6 s TRP 54 Cb 0.15 -2.21 0.03 0.00 -1.15 0.00 0.00 33.47 30.29 2hg6 s TRP 54 CO 0.40 -0.03 0.08 0.45 0.02 0.00 0.00 176.95 177.86 2hg6 s SER 55 N 1.05 5.16 -0.17 2.95 0.15 0.87 -4.91 113.70 118.80 2hg6 s SER 55 Ca 0.06 -1.01 -0.29 0.00 0.70 0.00 0.00 55.95 55.41 2hg6 s SER 55 Cb -0.14 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 2hg6 s SER 55 CO 0.04 -0.27 1.73 -0.55 1.20 0.00 0.00 173.24 175.39 2hg6 s SER 56 N 1.41 6.31 -0.09 5.45 0.15 -1.26 0.03 113.70 125.70 2hg6 s SER 56 Ca -0.01 1.83 0.12 0.00 0.70 0.00 0.00 55.95 58.60 2hg6 s SER 56 Cb -0.19 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.42 2hg6 s SER 56 CO 0.02 -1.28 0.12 1.33 1.20 0.00 0.00 173.24 174.62 2hg6 n VAL 57 N 6.37 0.62 -3.15 4.45 0.24 -0.86 -4.93 118.33 121.07 2hg6 n VAL 57 Ca 0.20 -0.47 0.04 0.00 -2.04 0.00 0.00 64.34 62.07 2hg6 n VAL 57 Cb 0.44 -0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.49 0.53 2.04 7.34 3.52 -1.13 -5.04 118.95 123.72 2hg6 s ARG 58 Ca -0.06 0.88 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 2hg6 s ARG 58 Cb 0.05 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 2hg6 s ARG 58 CO 0.54 -0.64 0.00 -0.25 -0.81 0.00 0.00 175.30 174.13 2hg6 n ASP 59 N 5.43 0.00 -0.00 -2.12 9.92 -1.26 0.32 116.55 128.84 2hg6 n ASP 59 Ca -0.01 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2hg6 n ASP 59 Cb 0.52 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.94 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 3.82 0.88 -4.60 -2.24 2.03 -1.26 -4.95 116.55 110.22 2hg6 n ASP 60 Ca 0.00 -0.58 -0.43 0.00 0.52 0.00 0.00 54.79 54.30 2hg6 n ASP 60 Cb 0.00 1.08 -0.02 0.00 -0.72 0.00 0.00 41.12 41.45 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 -1.99 3.70 -0.18 5.18 1.01 0.15 -4.47 120.40 123.81 2hg6 s VAL 61 Ca 0.02 0.70 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 2hg6 s VAL 61 Cb 0.07 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2hg6 s VAL 61 CO 0.37 -0.63 0.13 -0.04 0.00 0.00 0.00 175.10 174.93 2hg6 s MET 62 N 5.32 4.03 -0.26 2.72 -1.94 0.51 -2.03 119.30 127.65 2hg6 s MET 62 Ca 0.69 -0.20 -0.15 0.00 -1.71 0.00 0.00 55.69 54.32 2hg6 s MET 62 Cb -0.17 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.26 2hg6 s MET 62 CO 0.33 0.40 0.38 0.50 -0.01 0.00 0.00 175.02 176.61 2hg6 s ARG 63 N 0.06 4.03 -0.31 2.03 3.52 0.11 -0.61 118.95 127.78 2hg6 s ARG 63 Ca 0.10 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.47 2hg6 s ARG 63 Cb -0.11 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.62 2hg6 s ARG 63 CO -0.01 -0.25 1.65 -1.17 -0.81 0.00 0.00 175.30 174.71 2hg6 s LEU 64 N 1.99 3.66 -0.47 -0.88 1.98 0.63 -0.09 118.68 125.50 2hg6 s LEU 64 Ca 0.15 1.32 -0.19 0.00 -2.89 0.00 0.00 54.13 52.52 2hg6 s LEU 64 Cb -0.16 -3.53 0.04 0.00 0.66 0.00 0.00 46.19 43.20 2hg6 s LEU 64 CO 0.10 -1.48 0.60 -0.83 -1.89 0.00 0.00 176.35 172.84 2hg6 s GLY 65 N 4.95 1.77 0.43 7.98 0.00 0.45 -4.17 107.32 118.73 2hg6 s GLY 65 Ca 0.73 -1.54 0.30 0.00 0.00 0.00 0.00 44.72 44.21 2hg6 s GLY 65 CO 0.32 1.44 1.89 0.07 0.00 0.00 0.00 173.10 176.82 2hg6 h ARG 66 N 8.92 0.00 -0.37 2.90 -0.00 -1.86 -2.39 114.38 121.58 2hg6 h ARG 66 Ca -0.27 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 59.81 2hg6 h ARG 66 Cb 1.10 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.05 2hg6 h ARG 66 CO 0.92 0.00 0.26 0.93 -0.00 0.00 0.00 179.97 182.07 2hg6 h GLU 67 N 0.00 0.06 -0.09 0.08 3.07 -1.96 -1.68 114.58 114.07 2hg6 h GLU 67 Ca 0.00 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 2hg6 h GLU 67 Cb 0.40 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2hg6 h GLU 67 CO 0.00 0.04 -0.28 1.96 -1.40 0.00 0.00 179.01 179.33 2hg6 h GLN 68 N 0.07 0.16 0.00 2.33 1.08 -1.79 -2.48 115.11 114.47 2hg6 h GLN 68 Ca 0.17 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2hg6 h GLN 68 Cb 0.60 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2hg6 h GLN 68 CO -0.01 0.44 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.09 2hg6 h LEU 69 N 0.15 0.00 -1.19 1.46 4.07 -1.47 -1.12 115.31 117.20 2hg6 h LEU 69 Ca 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.90 2hg6 h LEU 69 Cb 0.58 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2hg6 h LEU 69 CO 0.04 0.14 -0.36 1.56 -1.08 0.00 0.00 178.44 178.75 2hg6 h GLN 70 N 0.00 0.09 -0.04 1.13 1.08 -1.55 0.25 115.11 116.07 2hg6 h GLN 70 Ca -0.00 -0.03 -0.20 0.00 -1.45 0.00 0.00 58.65 56.97 2hg6 h GLN 70 Cb 0.28 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2hg6 h GLN 70 CO 0.02 0.44 -0.81 0.82 -0.95 0.00 0.00 178.83 178.34 2hg6 h ILE 71 N 0.08 1.40 0.00 2.54 2.04 -1.31 -2.56 117.51 119.71 2hg6 h ILE 71 Ca 0.01 -2.30 -0.14 0.00 1.00 0.00 0.00 64.86 63.42 2hg6 h ILE 71 Cb 0.67 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2hg6 h ILE 71 CO 0.05 0.69 -0.69 -0.07 0.00 0.00 0.00 178.15 178.13 2hg6 h LEU 72 N 0.24 0.00 -0.67 1.44 3.38 -1.08 -3.21 115.31 115.41 2hg6 h LEU 72 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2hg6 h LEU 72 Cb 1.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 2hg6 h LEU 72 CO 0.14 0.69 -0.11 0.25 0.09 0.00 0.00 178.44 179.50 2hg6 h LEU 73 N 0.00 0.92 -1.09 1.67 5.85 -0.33 -0.08 115.31 122.25 2hg6 h LEU 73 Ca -0.01 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.33 2hg6 h LEU 73 Cb 1.24 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2hg6 h LEU 73 CO 0.09 1.04 -0.44 1.05 -0.34 0.00 0.00 178.44 179.84 2hg6 h GLU 74 N 0.83 0.00 -0.18 1.25 4.11 -1.48 -2.55 114.58 116.55 2hg6 h GLU 74 Ca 0.13 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.49 2hg6 h GLU 74 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2hg6 h GLU 74 CO 0.04 0.44 -0.15 0.37 0.07 0.00 0.00 179.01 179.78 2hg6 h GLN 75 N 0.00 0.43 -2.45 1.06 5.75 -1.46 -3.47 115.11 114.96 2hg6 h GLN 75 Ca -0.00 -0.22 -0.31 0.00 -0.15 0.00 0.00 58.65 57.97 2hg6 h GLN 75 Cb 0.81 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 2hg6 h GLN 75 CO 0.06 0.77 -0.41 -1.71 -2.65 0.00 0.00 178.83 174.89 2hg6 n ASN 76 N -4.51 -4.74 -2.80 -0.69 2.85 -0.08 -4.92 115.26 100.37 2hg6 n ASN 76 Ca -0.05 -0.05 -0.29 0.00 -0.11 0.00 0.00 54.58 54.07 2hg6 n ASN 76 Cb 0.37 -3.81 -0.01 0.00 1.24 0.00 0.00 39.78 37.56 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 -4.05 3.06 -0.22 -1.44 -6.64 -1.26 -4.85 119.36 103.96 2hg6 n ILE 77 Ca -0.17 -5.26 0.11 0.00 -1.77 0.00 0.00 62.75 55.66 2hg6 n ILE 77 Cb 0.63 -1.35 0.40 0.00 -1.44 0.00 0.00 39.64 37.89 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 2.91 0.59 -0.36 7.28 -0.73 -1.91 -0.60 115.58 122.77 2hg6 h ASN 78 Ca 0.26 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.46 2hg6 h ASN 78 Cb 0.62 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 2hg6 h ASN 78 CO 0.90 0.33 0.24 -0.08 -0.37 0.00 0.00 177.43 178.45 2hg6 h GLU 79 N 0.64 0.46 0.01 6.67 4.57 -1.98 0.21 114.58 125.17 2hg6 h GLU 79 Ca 0.39 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 2hg6 h GLU 79 Cb 0.62 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2hg6 h GLU 79 CO -0.15 0.31 -0.01 -0.09 -1.18 0.00 0.00 179.01 177.89 2hg6 h ARG 80 N 0.48 -0.02 0.00 1.92 2.43 -1.52 -3.33 114.38 114.34 2hg6 h ARG 80 Ca 0.13 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2hg6 h ARG 80 Cb -0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2hg6 h ARG 80 CO -0.03 0.53 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.58 2hg6 h LEU 81 N -0.99 0.00 -2.34 3.80 3.38 -1.46 -3.47 115.31 114.23 2hg6 h LEU 81 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hg6 h LEU 81 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2hg6 h LEU 81 CO 0.00 0.31 -0.59 -3.20 0.09 0.00 0.00 178.44 175.05 2hg6 n ASN 82 N -3.66 -7.15 -4.70 -0.43 5.15 0.72 -2.48 115.26 102.70 2hg6 n ASN 82 Ca -0.01 0.77 -0.42 0.00 -0.60 0.00 0.00 54.58 54.32 2hg6 n ASN 82 Cb 0.42 -4.77 -0.03 0.00 -0.53 0.00 0.00 39.78 34.87 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 -2.00 4.86 0.49 -1.44 1.09 -1.22 -4.54 121.20 118.44 2hg6 s ILE 83 Ca 0.13 1.97 -0.23 0.00 -1.10 0.00 0.00 60.65 61.43 2hg6 s ILE 83 Cb -0.04 -4.28 -0.08 0.00 -1.06 0.00 0.00 42.46 37.00 2hg6 s ILE 83 CO 0.67 0.11 1.10 0.61 -0.10 0.00 0.00 174.94 177.33 2hg6 n GLY 84 N 3.01 0.05 0.16 6.18 0.00 -1.26 -4.83 105.19 108.50 2hg6 n GLY 84 Ca 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 2hg6 n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hg6 h GLU 85 N 1.35 0.19 -0.02 1.61 3.07 -1.94 0.04 114.58 118.89 2hg6 h GLU 85 Ca -0.47 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2hg6 h GLU 85 Cb 1.33 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2hg6 h GLU 85 CO 0.56 0.13 0.02 -1.35 -1.40 0.00 0.00 179.01 176.96 2hg6 h PRO 86 N 0.20 0.00 -0.22 2.33 0.11 -1.91 -1.45 132.00 131.05 2hg6 h PRO 86 Ca 0.17 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.16 2hg6 h PRO 86 Cb 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2hg6 h PRO 86 CO -0.22 0.00 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.13 2hg6 h LEU 87 N 0.00 0.52 -0.49 2.35 -0.00 -1.28 0.09 115.31 116.49 2hg6 h LEU 87 Ca 0.01 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 57.63 2hg6 h LEU 87 Cb 0.04 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 2hg6 h LEU 87 CO -0.00 0.84 0.16 -0.07 -0.00 0.00 0.00 178.44 179.37 2hg6 h LEU 88 N 0.42 0.72 -1.23 1.67 4.07 -0.80 -1.94 115.31 118.22 2hg6 h LEU 88 Ca 0.04 -0.20 -0.04 0.00 0.08 0.00 0.00 57.88 57.76 2hg6 h LEU 88 Cb 0.83 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 2hg6 h LEU 88 CO 0.07 0.73 0.06 0.58 -1.08 0.00 0.00 178.44 178.80 2hg6 h VAL 89 N 0.67 1.19 -0.27 1.22 2.07 -1.14 -0.91 116.25 119.07 2hg6 h VAL 89 Ca 0.16 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2hg6 h VAL 89 Cb 0.27 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2hg6 h VAL 89 CO -0.01 0.26 -0.08 0.22 0.02 0.00 0.00 177.57 177.98 2hg6 h TYR 90 N 0.57 0.47 -0.06 1.57 3.20 -0.68 -2.13 116.97 119.91 2hg6 h TYR 90 Ca 0.13 -0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 2hg6 h TYR 90 Cb 0.27 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2hg6 h TYR 90 CO 0.01 0.53 -0.62 1.25 -1.64 0.00 0.00 178.16 177.69 2hg6 h LEU 91 N 0.42 0.23 0.99 2.82 6.46 -0.42 -3.20 115.31 122.61 2hg6 h LEU 91 Ca 0.08 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 2hg6 h LEU 91 Cb 0.41 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2hg6 h LEU 91 CO 0.02 0.79 -0.47 0.03 -0.62 0.00 0.00 178.44 178.19 2hg6 h ARG 92 N 0.15 -1.28 -2.84 1.25 -0.00 -0.65 -3.44 114.38 107.57 2hg6 h ARG 92 Ca -0.01 0.09 -0.15 0.00 -0.50 0.00 0.00 59.98 59.41 2hg6 h ARG 92 Cb 1.12 0.29 -0.27 0.00 0.00 0.00 0.00 29.97 31.11 2hg6 h ARG 92 CO 0.09 -0.85 -0.37 -0.98 0.00 0.00 0.00 179.97 177.86 2hg6 s ARG 93 N -5.97 0.32 -0.70 0.04 1.70 -0.97 -5.10 118.95 108.27 2hg6 s ARG 93 Ca -0.20 0.63 -0.25 0.00 -0.47 0.00 0.00 55.73 55.44 2hg6 s ARG 93 Cb 0.02 -0.02 0.04 0.00 -0.57 0.00 0.00 34.95 34.43 2hg6 s ARG 93 CO 0.60 -0.14 1.15 1.14 -1.08 0.00 0.00 175.30 176.97 2hg6 s GLN 94 N 1.11 3.18 0.13 3.89 -2.07 -1.21 -4.47 119.66 120.22 2hg6 s GLN 94 Ca -0.08 -0.43 -0.13 0.00 -1.82 0.00 0.00 55.36 52.91 2hg6 s GLN 94 Cb -0.08 -4.18 -0.03 0.00 -1.09 0.00 0.00 33.01 27.63 2hg6 s GLN 94 CO -0.09 -1.98 1.51 0.22 -1.32 0.00 0.00 175.29 173.63 2hg6 h ASP 95 N 9.81 0.86 -3.67 12.60 3.58 -1.93 -3.38 116.42 134.29 2hg6 h ASP 95 Ca -0.28 -0.40 -0.67 0.00 0.42 0.00 0.00 57.03 56.10 2hg6 h ASP 95 Cb 1.06 -0.24 -0.37 0.00 1.72 0.00 0.00 39.33 41.50 2hg6 h ASP 95 CO 1.23 1.07 -0.69 -0.76 -2.88 0.00 0.00 179.24 177.22 2hg6 s LEU 96 N -9.13 4.60 0.22 2.28 1.02 -1.26 -4.99 118.68 111.41 2hg6 s LEU 96 Ca -0.12 -1.91 -0.08 0.00 0.02 0.00 0.00 54.13 52.03 2hg6 s LEU 96 Cb 0.11 -1.68 0.25 0.00 0.02 0.00 0.00 46.19 44.89 2hg6 s LEU 96 CO 0.84 -0.38 1.83 -0.65 0.02 0.00 0.00 176.35 178.01 2hg6 h PRO 97 N 7.79 0.76 -3.70 1.29 0.11 -1.98 -3.33 132.00 132.94 2hg6 h PRO 97 Ca -0.10 -0.05 -0.67 0.00 0.11 0.00 0.00 66.00 65.29 2hg6 h PRO 97 Cb 1.03 -0.17 -0.38 0.00 0.11 0.00 0.00 31.00 31.59 2hg6 h PRO 97 CO 0.56 0.50 -0.53 -1.21 -0.21 0.00 0.00 178.00 177.11 2hg6 s GLU 98 N -6.09 2.15 -0.59 1.05 2.02 -1.26 -4.69 118.70 111.29 2hg6 s GLU 98 Ca -0.13 -2.44 -0.26 0.00 0.02 0.00 0.00 54.97 52.16 2hg6 s GLU 98 Cb 0.16 -3.49 0.04 0.00 0.10 0.00 0.00 34.13 30.94 2hg6 s GLU 98 CO 0.77 -1.11 1.08 0.42 0.02 0.00 0.00 175.26 176.44 2hg6 s ILE 99 N 0.05 4.16 -0.25 -1.63 1.01 -1.25 -4.94 121.20 118.34 2hg6 s ILE 99 Ca 0.16 0.49 -0.10 0.00 0.00 0.00 0.00 60.65 61.20 2hg6 s ILE 99 Cb -0.23 -4.67 -0.05 0.00 0.01 0.00 0.00 42.46 37.53 2hg6 s ILE 99 CO -0.03 -1.32 0.14 0.42 0.00 0.00 0.00 174.94 174.16 2hg6 s THR 100 N 4.57 5.11 -0.02 2.92 -4.23 -1.26 -0.27 115.64 122.46 2hg6 s THR 100 Ca 0.35 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.99 2hg6 s THR 100 Cb -0.10 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2hg6 s THR 100 CO 0.20 0.33 -0.10 0.00 -0.54 0.00 0.00 174.62 174.52 2hg6 s ALA 101 N 1.26 0.89 0.03 3.99 0.00 0.22 -4.93 121.76 123.21 2hg6 s ALA 101 Ca 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2hg6 s ALA 101 Cb -0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2hg6 s ALA 101 CO 0.06 0.16 -0.05 1.14 0.00 0.00 0.00 175.76 177.07 2hg6 s GLN 102 N 0.08 0.43 -0.10 0.00 1.03 -1.26 -0.36 119.66 119.48 2hg6 s GLN 102 Ca -0.01 -0.71 -0.03 0.00 0.04 0.00 0.00 55.36 54.65 2hg6 s GLN 102 Cb -0.08 -0.08 -0.26 0.00 0.03 0.00 0.00 33.01 32.62 2hg6 s GLN 102 CO 0.00 -0.00 0.44 -2.13 -2.54 0.00 0.00 175.29 171.06 2hg6 n ARG 103 N 1.46 0.74 -4.00 9.60 0.63 -1.26 -4.98 116.66 118.85 2hg6 n ARG 103 Ca -0.23 0.27 -0.09 0.00 -0.92 0.00 0.00 57.85 56.88 2hg6 n ARG 103 Cb 0.55 -1.73 -0.08 0.00 0.45 0.00 0.00 32.46 31.65 2hg6 n ARG 103 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2hg6 s GLN 104 N -2.57 0.98 -0.00 -0.14 0.00 -1.26 -5.05 119.66 111.62 2hg6 s GLN 104 Ca -0.19 -1.20 0.03 0.00 -0.00 0.00 0.00 55.36 54.00 2hg6 s GLN 104 Cb 0.07 0.32 -0.04 0.00 0.00 0.00 0.00 33.01 33.36 2hg6 s GLN 104 CO 0.78 -0.32 0.06 -0.11 0.00 0.00 0.00 175.29 175.70 2hg6 n LEU 105 N -0.12 0.00 0.00 2.60 7.94 -1.26 -4.62 117.00 121.54 2hg6 n LEU 105 Ca -0.09 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2hg6 n LEU 105 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 2hg6 n LEU 105 CO 0.26 0.00 0.00 -2.11 -1.11 0.00 0.00 177.39 174.43