#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg6 n SER 2 N 0.00 0.09 -4.77 7.83 7.64 -1.26 -5.03 113.62 118.13 2hg6 n SER 2 Ca 0.00 -1.43 -0.36 0.00 1.01 0.00 0.00 58.87 58.09 2hg6 n SER 2 Cb 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2hg6 n SER 2 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2hg6 s ILE 3 N -3.58 3.01 0.39 0.44 -1.09 -1.26 -5.03 121.20 114.08 2hg6 s ILE 3 Ca 0.67 0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 59.79 2hg6 s ILE 3 Cb -0.02 -3.33 0.08 0.00 -1.58 0.00 0.00 42.46 37.61 2hg6 s ILE 3 CO 0.47 -0.07 0.54 0.35 -1.23 0.00 0.00 174.94 175.00 2hg6 n THR 4 N -0.90 0.00 -0.84 2.92 -2.24 -1.26 -5.07 114.28 106.90 2hg6 n THR 4 Ca 0.10 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2hg6 n THR 4 Cb 0.49 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.99 -0.28 0.24 3.42 7.64 -1.26 -4.81 113.62 115.59 2hg6 n SER 5 Ca 0.09 -0.84 0.15 0.00 1.01 0.00 0.00 58.87 59.29 2hg6 n SER 5 Cb 0.31 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.19 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 -1.11 0.10 -0.14 0.44 2.02 -2.03 -0.48 112.91 111.70 2hg6 h THR 6 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2hg6 h THR 6 Cb 0.00 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2hg6 h THR 6 CO 0.00 0.00 0.44 0.44 0.37 0.00 0.00 175.52 176.77 2hg6 h ASP 7 N 0.00 0.00 -0.90 4.18 3.32 -1.99 0.03 116.42 121.06 2hg6 h ASP 7 Ca 0.08 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.19 2hg6 h ASP 7 Cb 1.05 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 2hg6 h ASP 7 CO -0.00 0.00 0.59 -0.29 -1.72 0.00 0.00 179.24 177.81 2hg6 h ILE 8 N 0.00 1.07 -0.00 0.35 2.10 -1.39 0.32 117.51 119.96 2hg6 h ILE 8 Ca 0.07 -0.35 -0.17 0.00 1.08 0.00 0.00 64.86 65.48 2hg6 h ILE 8 Cb 0.95 -0.05 -0.02 0.00 -1.09 0.00 0.00 36.82 36.61 2hg6 h ILE 8 CO -0.00 0.19 -0.81 0.00 -1.08 0.00 0.00 178.15 176.45 2hg6 h GLN 10 N 0.03 0.61 0.00 0.00 1.08 -1.11 -3.08 115.11 112.64 2hg6 h GLN 10 Ca -0.02 -0.49 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 2hg6 h GLN 10 Cb 1.43 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.95 2hg6 h GLN 10 CO 0.11 1.11 -0.11 0.00 -0.95 0.00 0.00 178.83 178.99 2hg6 h ALA 11 N 0.51 1.57 0.00 3.87 0.00 -0.52 -0.92 119.26 123.77 2hg6 h ALA 11 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2hg6 h ALA 11 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2hg6 h ALA 11 CO 0.12 0.14 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 2hg6 h ALA 12 N 1.89 1.05 0.00 0.00 0.00 -1.54 -1.46 119.26 119.20 2hg6 h ALA 12 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2hg6 h ALA 12 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2hg6 h ALA 12 CO 0.01 0.04 -0.26 0.22 0.00 0.00 0.00 179.25 179.26 2hg6 h ASP 13 N 0.00 0.00 0.94 0.00 1.82 -1.24 -3.25 116.42 114.69 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 0.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2hg6 h ASP 13 CO 0.00 0.22 0.00 0.00 -1.61 0.00 0.00 179.24 177.85 2hg6 n ALA 14 N -2.16 2.25 -2.05 -0.78 0.00 -0.55 -4.75 120.51 112.46 2hg6 n ALA 14 Ca 0.03 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2hg6 n ALA 14 Cb 0.62 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.00 4.31 0.14 0.00 1.02 -1.23 -4.97 118.68 114.95 2hg6 s LEU 15 Ca 0.13 2.18 0.09 0.00 0.02 0.00 0.00 54.13 56.56 2hg6 s LEU 15 Cb 0.18 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.81 2hg6 s LEU 15 CO 0.50 -0.90 -0.18 -1.59 0.02 0.00 0.00 176.35 174.20 2hg6 s LYS 16 N 3.92 1.77 0.00 1.70 -2.85 -1.26 -2.92 119.74 120.10 2hg6 s LYS 16 Ca 0.71 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.43 2hg6 s LYS 16 Cb -0.32 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 2hg6 s LYS 16 CO 0.28 0.46 0.00 0.41 0.10 0.00 0.00 175.35 176.60 2hg6 n GLY 17 N 0.59 4.01 3.39 0.59 0.00 -1.26 -4.70 105.19 107.82 2hg6 n GLY 17 Ca -0.14 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.76 2.95 -0.21 1.61 0.08 0.33 -0.17 117.98 120.81 2hg6 s PHE 18 Ca 0.00 -0.62 -0.16 0.00 0.12 0.00 0.00 56.93 56.27 2hg6 s PHE 18 Cb 0.00 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2hg6 s PHE 18 CO 0.00 -0.28 0.39 0.08 -0.10 0.00 0.00 175.22 175.31 2hg6 s VAL 19 N 0.81 5.20 0.00 -0.44 1.01 0.49 0.27 120.40 127.75 2hg6 s VAL 19 Ca -0.02 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 2hg6 s VAL 19 Cb -0.15 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2hg6 s VAL 19 CO 0.02 0.25 0.06 -0.83 0.00 0.00 0.00 175.10 174.59 2hg6 s GLY 20 N 1.09 0.11 -0.28 4.51 0.00 0.45 -1.28 107.32 111.93 2hg6 s GLY 20 Ca 0.18 -0.27 -0.24 0.00 0.00 0.00 0.00 44.72 44.39 2hg6 s GLY 20 CO 0.08 -0.36 0.83 -0.12 0.00 0.00 0.00 173.10 173.53 2hg6 s PHE 21 N -1.19 3.24 -0.23 1.90 5.36 -1.26 -0.95 117.98 124.86 2hg6 s PHE 21 Ca -0.13 0.99 -0.17 0.00 -0.96 0.00 0.00 56.93 56.67 2hg6 s PHE 21 Cb -0.08 -3.19 -0.03 0.00 -0.34 0.00 0.00 43.02 39.38 2hg6 s PHE 21 CO 0.00 -0.51 0.44 1.21 -1.46 0.00 0.00 175.22 174.90 2hg6 s ASN 22 N 1.50 6.43 0.39 6.13 3.84 -0.29 -4.87 114.94 128.07 2hg6 s ASN 22 Ca 0.35 0.51 0.10 0.00 0.21 0.00 0.00 52.86 54.02 2hg6 s ASN 22 Cb -0.14 -2.25 0.78 0.00 -0.55 0.00 0.00 41.25 39.09 2hg6 s ASN 22 CO 0.10 -0.17 1.91 0.08 -2.79 0.00 0.00 177.10 176.24 2hg6 h ARG 23 N 7.68 0.23 0.00 0.43 0.11 -1.95 0.21 114.38 121.09 2hg6 h ARG 23 Ca -0.33 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.70 2hg6 h ARG 23 Cb 1.16 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2hg6 h ARG 23 CO 0.71 0.38 -0.61 1.57 0.10 0.00 0.00 179.97 182.11 2hg6 h LYS 24 N 0.22 0.00 0.00 0.08 2.10 -1.97 -3.31 116.57 113.69 2hg6 h LYS 24 Ca 0.04 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.53 2hg6 h LYS 24 Cb 0.38 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.68 2hg6 h LYS 24 CO 0.02 0.00 -1.89 0.25 -2.00 0.00 0.00 179.45 175.83 2hg6 n THR 25 N -2.36 0.61 -1.15 0.07 -2.24 -1.13 -5.01 114.28 103.08 2hg6 n THR 25 Ca 0.03 -0.52 -0.02 0.00 -2.27 0.00 0.00 64.05 61.27 2hg6 n THR 25 Cb 0.47 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 2hg6 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hg6 n GLY 26 N 1.91 0.51 3.33 3.38 0.00 0.73 -5.03 105.19 110.02 2hg6 n GLY 26 Ca -0.16 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.35 1.25 -0.75 1.61 1.81 -1.21 -4.96 118.95 114.34 2hg6 s ARG 27 Ca 0.00 -1.24 -0.21 0.00 -1.72 0.00 0.00 55.73 52.55 2hg6 s ARG 27 Cb 0.00 -1.62 0.09 0.00 -0.45 0.00 0.00 34.95 32.97 2hg6 s ARG 27 CO 0.00 0.38 1.02 -0.47 -0.68 0.00 0.00 175.30 175.55 2hg6 s TYR 28 N -1.11 2.82 0.53 -0.53 5.04 -1.26 -1.13 117.35 121.70 2hg6 s TYR 28 Ca 0.10 -0.83 0.02 0.00 -2.44 0.00 0.00 57.07 53.91 2hg6 s TYR 28 Cb -0.10 -4.29 0.01 0.00 0.35 0.00 0.00 41.96 37.92 2hg6 s TYR 28 CO 0.05 -1.60 0.11 0.96 -1.34 0.00 0.00 175.55 173.73 2hg6 s ILE 29 N 3.63 1.21 -0.19 3.14 -5.25 -0.12 -4.84 121.20 118.78 2hg6 s ILE 29 Ca 0.26 -1.87 -0.09 0.00 -0.99 0.00 0.00 60.65 57.96 2hg6 s ILE 29 Cb -0.13 -2.08 -0.05 0.00 2.95 0.00 0.00 42.46 43.15 2hg6 s ILE 29 CO 0.03 0.00 0.12 0.54 -1.79 0.00 0.00 174.94 173.84 2hg6 s VAL 30 N -2.87 5.31 -0.04 8.37 0.11 -1.26 -0.41 120.40 129.61 2hg6 s VAL 30 Ca 0.11 0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.35 2hg6 s VAL 30 Cb 0.00 -3.40 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2hg6 s VAL 30 CO 0.06 0.47 -0.18 -0.13 -3.33 0.00 0.00 175.10 172.00 2hg6 s ARG 31 N 0.17 1.74 0.00 1.54 1.81 0.14 -4.96 118.95 119.39 2hg6 s ARG 31 Ca 0.08 -0.63 0.21 0.00 -1.72 0.00 0.00 55.73 53.67 2hg6 s ARG 31 Cb -0.11 -1.55 0.72 0.00 -0.45 0.00 0.00 34.95 33.56 2hg6 s ARG 31 CO -0.01 0.29 1.54 1.19 -0.68 0.00 0.00 175.30 177.63 2hg6 n PHE 32 N 3.00 0.22 -3.95 -0.53 3.72 -1.26 -0.51 117.46 118.16 2hg6 n PHE 32 Ca -0.17 -0.11 -0.24 0.00 -0.05 0.00 0.00 57.45 56.87 2hg6 n PHE 32 Cb 0.53 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.58 1.76 0.13 4.37 0.01 -1.26 -4.91 113.70 112.21 2hg6 s SER 33 Ca 0.33 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 57.27 2hg6 s SER 33 Cb 0.18 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 2hg6 s SER 33 CO 0.27 -0.13 1.47 -0.33 0.41 0.00 0.00 173.24 174.93 2hg6 h GLU 34 N 8.00 0.85 -0.91 12.44 5.08 -1.96 -3.16 114.58 134.92 2hg6 h GLU 34 Ca -0.27 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.63 2hg6 h GLU 34 Cb 1.14 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2hg6 h GLU 34 CO 0.37 1.07 0.04 -3.47 -1.00 0.00 0.00 179.01 176.01 2hg6 n ASP 35 N -4.16 2.50 0.04 1.42 2.03 -1.26 -3.64 116.55 113.48 2hg6 n ASP 35 Ca -0.02 -2.30 0.13 0.00 0.52 0.00 0.00 54.79 53.11 2hg6 n ASP 35 Cb 0.50 -0.56 0.51 0.00 -0.72 0.00 0.00 41.12 40.84 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2hg6 n SER 36 N 0.15 0.26 -4.18 1.67 3.41 -1.19 -4.66 113.62 109.08 2hg6 n SER 36 Ca 0.09 0.53 -0.25 0.00 -0.26 0.00 0.00 58.87 58.99 2hg6 n SER 36 Cb 0.58 -0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 63.78 2hg6 n SER 36 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2hg6 s PHE 37 N -3.05 1.60 0.00 7.33 0.08 -1.24 -5.09 117.98 117.61 2hg6 s PHE 37 Ca 0.11 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.85 2hg6 s PHE 37 Cb 0.15 -1.01 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 2hg6 s PHE 37 CO 0.50 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 176.02 2hg6 n GLY 38 N 2.50 0.19 1.30 4.36 0.00 -1.26 -4.79 105.19 107.50 2hg6 n GLY 38 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 3.07 0.34 1.61 0.00 -1.26 -4.55 117.12 116.33 2hg6 n MET 39 Ca 0.00 -2.65 -0.14 0.00 0.00 0.00 0.00 57.70 54.91 2hg6 n MET 39 Cb 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 33.22 31.52 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 3.80 -0.75 -3.71 3.17 5.19 -1.99 -3.44 116.42 118.69 2hg6 h ASP 40 Ca 0.00 0.03 -0.68 0.00 -0.62 0.00 0.00 57.03 55.76 2hg6 h ASP 40 Cb 1.11 0.19 -0.25 0.00 0.18 0.00 0.00 39.33 40.56 2hg6 h ASP 40 CO 0.08 -0.39 -0.77 -0.69 -3.12 0.00 0.00 179.24 174.35 2hg6 s VAL 41 N -4.48 3.01 0.28 -1.35 1.01 -1.26 -5.03 120.40 112.58 2hg6 s VAL 41 Ca -0.13 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2hg6 s VAL 41 Cb 0.01 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 2hg6 s VAL 41 CO 0.39 0.56 1.46 0.00 0.00 0.00 0.00 175.10 177.51 2hg6 s ALA 42 N -0.22 3.63 -0.40 5.51 0.00 -1.26 -4.87 121.76 124.15 2hg6 s ALA 42 Ca 0.01 1.39 0.24 0.00 0.00 0.00 0.00 51.96 53.60 2hg6 s ALA 42 Cb -0.13 -3.57 1.04 0.00 0.00 0.00 0.00 23.12 20.46 2hg6 s ALA 42 CO 0.03 -0.81 1.72 -0.40 0.00 0.00 0.00 175.76 176.30 2hg6 n ASP 43 N 1.97 0.69 0.18 0.00 5.68 -1.26 -1.13 116.55 122.67 2hg6 n ASP 43 Ca 0.06 0.69 0.03 0.00 -0.50 0.00 0.00 54.79 55.07 2hg6 n ASP 43 Cb 0.40 -0.83 0.34 0.00 -1.14 0.00 0.00 41.12 39.89 2hg6 n ASP 43 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2hg6 h ASP 44 N 0.00 0.00 1.18 -1.12 3.58 -2.02 -2.92 116.42 115.12 2hg6 h ASP 44 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2hg6 h ASP 44 Cb 0.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2hg6 h ASP 44 CO 0.00 0.41 -0.87 -1.28 -2.88 0.00 0.00 179.24 174.62 2hg6 h SER 45 N 0.00 0.00 -2.57 2.28 0.87 -1.50 -3.42 113.55 109.22 2hg6 h SER 45 Ca -0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 2hg6 h SER 45 Cb 0.75 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.59 2hg6 h SER 45 CO 0.05 0.47 0.69 -0.63 -0.53 0.00 0.00 176.83 176.88 2hg6 s ILE 46 N -2.99 4.16 -0.10 2.23 1.01 -1.10 -4.52 121.20 119.89 2hg6 s ILE 46 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2hg6 s ILE 46 Cb 0.08 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2hg6 s ILE 46 CO 0.77 -1.57 -0.22 -0.89 0.00 0.00 0.00 174.94 173.03 2hg6 s THR 47 N 4.51 1.90 0.29 2.92 2.01 -0.41 -4.88 115.64 121.99 2hg6 s THR 47 Ca 0.26 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2hg6 s THR 47 Cb -0.14 -1.65 -0.12 0.00 0.01 0.00 0.00 72.50 70.59 2hg6 s THR 47 CO 0.11 0.52 1.55 -0.81 -0.69 0.00 0.00 174.62 175.30 2hg6 n PRO 48 N 3.66 2.57 0.21 4.92 -0.04 -1.26 -0.38 135.00 144.69 2hg6 n PRO 48 Ca -0.20 0.91 0.07 0.00 -0.04 0.00 0.00 63.50 64.25 2hg6 n PRO 48 Cb 0.53 -2.67 0.60 0.00 -0.04 0.00 0.00 33.50 31.91 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 3.25 1.02 -0.55 0.52 1.03 -0.82 0.49 112.91 117.85 2hg6 h THR 49 Ca -0.47 -0.05 -0.03 0.00 -0.01 0.00 0.00 66.41 65.85 2hg6 h THR 49 Cb 1.24 0.92 -0.03 0.00 -1.07 0.00 0.00 68.15 69.20 2hg6 h THR 49 CO 0.77 0.02 0.20 -1.28 -0.01 0.00 0.00 175.52 175.23 2hg6 h SER 50 N 0.10 0.73 0.00 0.00 0.87 -1.77 -2.10 113.55 111.39 2hg6 h SER 50 Ca 0.03 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2hg6 h SER 50 Cb -0.00 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2hg6 h SER 50 CO -0.01 0.67 -0.08 1.21 -0.53 0.00 0.00 176.83 178.09 2hg6 n GLU 51 N -4.32 1.81 -0.02 2.24 2.13 -0.03 -4.07 120.64 118.38 2hg6 n GLU 51 Ca 0.04 -1.33 -0.11 0.00 0.66 0.00 0.00 57.16 56.42 2hg6 n GLU 51 Cb 0.17 -1.47 -0.14 0.00 0.27 0.00 0.00 31.44 30.27 2hg6 n GLU 51 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2hg6 n PHE 52 N 0.57 1.00 1.16 4.31 7.35 -0.12 -3.94 117.46 127.79 2hg6 n PHE 52 Ca 0.15 0.33 0.14 0.00 -0.76 0.00 0.00 57.45 57.31 2hg6 n PHE 52 Cb 0.47 -1.17 0.52 0.00 0.35 0.00 0.00 39.48 39.65 2hg6 n PHE 52 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2hg6 n VAL 53 N -3.11 0.00 -4.02 -2.13 0.24 -1.06 -4.71 118.33 103.54 2hg6 n VAL 53 Ca -0.20 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.34 61.73 2hg6 n VAL 53 Cb 1.06 -0.15 -0.12 0.00 -1.47 0.00 0.00 33.84 33.16 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 -2.79 3.09 -0.25 6.34 0.52 -1.25 0.03 118.94 124.62 2hg6 s TRP 54 Ca 0.19 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.98 2hg6 s TRP 54 Cb 0.19 -2.11 0.06 0.00 -1.15 0.00 0.00 33.47 30.47 2hg6 s TRP 54 CO 0.55 -0.18 -0.04 -1.12 0.02 0.00 0.00 176.95 176.18 2hg6 s SER 55 N 0.97 3.96 -0.13 2.95 0.01 -0.05 -4.94 113.70 116.47 2hg6 s SER 55 Ca 0.02 -1.28 -0.29 0.00 1.31 0.00 0.00 55.95 55.71 2hg6 s SER 55 Cb -0.14 -1.22 -0.05 0.00 0.21 0.00 0.00 66.02 64.82 2hg6 s SER 55 CO 0.02 -0.25 1.84 -0.44 0.41 0.00 0.00 173.24 174.82 2hg6 s SER 56 N 1.35 6.24 0.00 2.44 0.01 -1.26 0.54 113.70 123.02 2hg6 s SER 56 Ca -0.04 2.03 0.15 0.00 1.31 0.00 0.00 55.95 59.40 2hg6 s SER 56 Cb -0.19 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.71 2hg6 s SER 56 CO -0.07 -1.31 1.07 1.33 0.41 0.00 0.00 173.24 174.67 2hg6 n VAL 57 N 6.35 0.26 -3.52 3.43 0.24 -0.81 -4.89 118.33 119.38 2hg6 n VAL 57 Ca 0.21 -0.63 -0.03 0.00 -2.04 0.00 0.00 64.34 61.85 2hg6 n VAL 57 Cb 0.44 1.10 -0.00 0.00 -1.47 0.00 0.00 33.84 33.90 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 0.85 0.18 0.08 7.34 0.63 -0.91 -5.01 116.66 119.83 2hg6 n ARG 58 Ca 0.11 -0.58 -0.12 0.00 -0.92 0.00 0.00 57.85 56.33 2hg6 n ARG 58 Cb 0.41 0.60 -0.05 0.00 0.45 0.00 0.00 32.46 33.87 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 0.44 -0.94 0.00 6.15 3.58 -2.03 -3.36 116.42 120.26 2hg6 h ASP 59 Ca -0.06 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2hg6 h ASP 59 Cb 0.27 0.37 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2hg6 h ASP 59 CO 0.09 -0.39 -0.89 -0.67 -2.88 0.00 0.00 179.24 174.50 2hg6 n ASP 60 N -5.41 4.45 -4.69 2.28 2.03 -1.26 -5.03 116.55 108.91 2hg6 n ASP 60 Ca -0.05 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.83 2hg6 n ASP 60 Cb 0.32 0.79 -0.03 0.00 -0.72 0.00 0.00 41.12 41.48 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 -1.80 3.81 0.05 5.18 1.01 -1.26 -4.32 120.40 123.07 2hg6 s VAL 61 Ca 0.00 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.24 2hg6 s VAL 61 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2hg6 s VAL 61 CO 0.00 0.02 -0.08 -0.04 0.00 0.00 0.00 175.10 175.00 2hg6 s MET 62 N 2.09 2.37 -0.11 2.72 -1.94 0.88 -1.93 119.30 123.38 2hg6 s MET 62 Ca 0.62 -0.86 -0.06 0.00 -1.71 0.00 0.00 55.69 53.68 2hg6 s MET 62 Cb -0.30 -2.41 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 2hg6 s MET 62 CO 0.26 0.56 0.10 0.50 -0.01 0.00 0.00 175.02 176.43 2hg6 s ARG 63 N -1.78 3.34 -0.35 2.03 6.06 0.19 -1.03 118.95 127.41 2hg6 s ARG 63 Ca 0.19 -0.21 -0.29 0.00 -2.50 0.00 0.00 55.73 52.92 2hg6 s ARG 63 Cb -0.11 -3.09 0.02 0.00 0.06 0.00 0.00 34.95 31.83 2hg6 s ARG 63 CO 0.11 0.74 1.08 -1.17 -2.50 0.00 0.00 175.30 173.55 2hg6 s LEU 64 N -0.94 3.88 -0.30 -0.88 1.98 -0.39 -0.87 118.68 121.17 2hg6 s LEU 64 Ca 0.14 0.93 -0.29 0.00 -2.89 0.00 0.00 54.13 52.03 2hg6 s LEU 64 Cb -0.12 -3.53 -0.02 0.00 0.66 0.00 0.00 46.19 43.18 2hg6 s LEU 64 CO 0.03 -0.94 1.75 -0.83 -1.89 0.00 0.00 176.35 174.47 2hg6 s GLY 65 N 1.80 0.91 0.45 7.98 0.00 0.10 -4.79 107.32 113.78 2hg6 s GLY 65 Ca 0.46 0.32 0.25 0.00 0.00 0.00 0.00 44.72 45.75 2hg6 s GLY 65 CO 0.18 3.20 1.80 0.07 0.00 0.00 0.00 173.10 178.35 2hg6 h ARG 66 N 12.27 0.00 0.00 2.90 0.11 -1.93 -3.29 114.38 124.43 2hg6 h ARG 66 Ca -0.34 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.69 2hg6 h ARG 66 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 2hg6 h ARG 66 CO 1.02 0.17 -0.25 1.05 0.10 0.00 0.00 179.97 182.06 2hg6 h GLU 67 N 0.00 0.00 -0.18 0.08 4.11 -1.97 -3.08 114.58 113.55 2hg6 h GLU 67 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 2hg6 h GLU 67 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2hg6 h GLU 67 CO 0.02 0.25 0.13 -0.56 0.07 0.00 0.00 179.01 178.92 2hg6 h GLN 68 N 0.00 0.05 -0.84 1.06 -0.00 -1.91 -2.29 115.11 111.18 2hg6 h GLN 68 Ca -0.00 -0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 2hg6 h GLN 68 Cb 0.71 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.48 28.11 2hg6 h GLN 68 CO 0.03 0.03 0.50 -0.07 -0.00 0.00 0.00 178.83 179.33 2hg6 h LEU 69 N 0.05 0.75 -0.99 0.06 3.38 -1.79 0.40 115.31 117.17 2hg6 h LEU 69 Ca 0.08 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2hg6 h LEU 69 Cb 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2hg6 h LEU 69 CO -0.01 0.45 -0.23 1.56 0.09 0.00 0.00 178.44 180.30 2hg6 h GLN 70 N 0.87 0.46 0.07 1.13 1.08 -1.63 -1.83 115.11 115.26 2hg6 h GLN 70 Ca 0.39 -0.16 -0.28 0.00 -1.45 0.00 0.00 58.65 57.15 2hg6 h GLN 70 Cb 0.29 -0.03 0.02 0.00 -0.05 0.00 0.00 27.48 27.71 2hg6 h GLN 70 CO -0.22 0.66 -1.16 0.82 -0.95 0.00 0.00 178.83 177.99 2hg6 h ILE 71 N 0.41 1.31 -0.07 2.54 2.04 -1.39 -3.34 117.51 119.02 2hg6 h ILE 71 Ca 0.06 -2.44 -0.12 0.00 1.00 0.00 0.00 64.86 63.37 2hg6 h ILE 71 Cb 0.63 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2hg6 h ILE 71 CO 0.04 0.74 -0.49 -0.07 0.00 0.00 0.00 178.15 178.37 2hg6 h LEU 72 N 0.29 0.19 -2.69 1.44 3.38 -0.76 -3.02 115.31 114.15 2hg6 h LEU 72 Ca -0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2hg6 h LEU 72 Cb 1.82 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 2hg6 h LEU 72 CO 0.22 0.65 -0.00 0.17 0.09 0.00 0.00 178.44 179.57 2hg6 h LEU 73 N 0.14 0.00 -1.57 1.67 8.10 -1.45 -1.23 115.31 120.97 2hg6 h LEU 73 Ca 0.01 0.00 0.24 0.00 0.11 0.00 0.00 57.88 58.23 2hg6 h LEU 73 Cb 0.93 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 41.08 2hg6 h LEU 73 CO 0.07 0.00 0.64 -0.33 -4.11 0.00 0.00 178.44 174.71 2hg6 h GLU 74 N 0.00 0.31 -5.44 0.17 4.39 -1.71 -3.38 114.58 108.93 2hg6 h GLU 74 Ca -0.00 -0.02 -0.65 0.00 0.34 0.00 0.00 59.36 59.03 2hg6 h GLU 74 Cb 0.01 -0.07 -0.23 0.00 -0.10 0.00 0.00 28.75 28.36 2hg6 h GLU 74 CO 0.00 0.21 -0.70 -0.65 -1.16 0.00 0.00 179.01 176.71 2hg6 s GLN 75 N -5.35 3.45 0.00 2.33 -1.52 -0.47 -5.00 119.66 113.10 2hg6 s GLN 75 Ca -0.08 -0.57 0.24 0.00 -1.95 0.00 0.00 55.36 53.01 2hg6 s GLN 75 Cb 0.23 -2.79 0.27 0.00 -0.22 0.00 0.00 33.01 30.51 2hg6 s GLN 75 CO 0.79 0.30 1.30 0.09 -0.25 0.00 0.00 175.29 177.52 2hg6 n ASN 76 N 3.32 2.76 -4.50 5.90 5.03 -1.26 -4.72 115.26 121.78 2hg6 n ASN 76 Ca -0.18 -1.90 -0.43 0.00 0.87 0.00 0.00 54.58 52.94 2hg6 n ASN 76 Cb 0.53 0.03 -0.02 0.00 -1.02 0.00 0.00 39.78 39.30 2hg6 n ASN 76 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2hg6 s ILE 77 N -2.04 4.50 0.28 2.41 -5.25 -1.26 -4.81 121.20 115.03 2hg6 s ILE 77 Ca 0.28 -1.69 -0.01 0.00 -0.99 0.00 0.00 60.65 58.24 2hg6 s ILE 77 Cb 0.20 -4.95 0.17 0.00 2.95 0.00 0.00 42.46 40.83 2hg6 s ILE 77 CO 0.32 -1.73 1.85 0.78 -1.79 0.00 0.00 174.94 174.37 2hg6 h ASN 78 N 8.44 0.79 -0.68 4.36 4.21 -1.94 0.57 115.58 131.34 2hg6 h ASN 78 Ca 0.26 -0.12 -0.06 0.00 1.21 0.00 0.00 56.30 57.59 2hg6 h ASN 78 Cb 0.96 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.92 2hg6 h ASN 78 CO 1.28 0.74 0.21 -0.08 -1.29 0.00 0.00 177.43 178.29 2hg6 h GLU 79 N 0.84 1.08 0.00 0.81 4.57 -1.87 0.24 114.58 120.26 2hg6 h GLU 79 Ca 0.19 -0.23 -0.24 0.00 -1.18 0.00 0.00 59.36 57.90 2hg6 h GLU 79 Cb 0.23 -0.16 0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2hg6 h GLU 79 CO -0.01 0.93 -0.95 -0.09 -1.18 0.00 0.00 179.01 177.71 2hg6 h ARG 80 N 1.04 0.64 0.00 1.92 2.43 -1.80 -2.98 114.38 115.62 2hg6 h ARG 80 Ca 0.23 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2hg6 h ARG 80 Cb 0.31 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2hg6 h ARG 80 CO -0.01 1.28 0.00 1.28 -1.51 0.00 0.00 179.97 181.02 2hg6 n LEU 81 N -3.94 0.34 -0.85 3.80 4.77 0.14 -4.90 117.00 116.36 2hg6 n LEU 81 Ca -0.11 0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 2hg6 n LEU 81 Cb 0.84 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2hg6 n LEU 81 CO 0.54 -0.22 -0.10 0.59 -1.33 0.00 0.00 177.39 176.87 2hg6 n ASN 82 N -1.84 -3.54 -4.66 -1.43 3.02 0.64 -4.34 115.26 103.11 2hg6 n ASN 82 Ca 0.05 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 2hg6 n ASN 82 Cb 0.30 -2.35 -0.03 0.00 -0.61 0.00 0.00 39.78 37.09 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2hg6 s ILE 83 N -2.39 3.10 0.91 2.41 1.09 0.05 -4.22 121.20 122.15 2hg6 s ILE 83 Ca 0.00 0.14 -0.13 0.00 -1.10 0.00 0.00 60.65 59.56 2hg6 s ILE 83 Cb 0.00 -3.09 0.14 0.00 -1.06 0.00 0.00 42.46 38.45 2hg6 s ILE 83 CO 0.00 -0.01 1.15 -0.83 -0.10 0.00 0.00 174.94 175.15 2hg6 s GLY 84 N 4.22 1.58 0.12 6.18 0.00 -1.26 -4.78 107.32 113.38 2hg6 s GLY 84 Ca 0.86 -0.58 -0.26 0.00 0.00 0.00 0.00 44.72 44.74 2hg6 s GLY 84 CO 0.40 -0.01 1.64 0.83 0.00 0.00 0.00 173.10 175.96 2hg6 h GLU 85 N -1.49 -0.39 0.00 2.90 4.39 -1.94 -0.87 114.58 117.19 2hg6 h GLU 85 Ca -0.50 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2hg6 h GLU 85 Cb 1.33 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 2hg6 h GLU 85 CO 0.61 -0.26 0.00 -0.35 -1.16 0.00 0.00 179.01 177.85 2hg6 n PRO 86 N -5.36 0.04 0.10 2.33 -0.04 -1.26 -1.98 135.00 128.82 2hg6 n PRO 86 Ca -0.06 0.33 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 2hg6 n PRO 86 Cb 0.27 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2hg6 n PRO 86 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2hg6 h LEU 87 N 0.00 0.00 -0.30 1.53 -0.00 -1.46 -1.64 115.31 113.44 2hg6 h LEU 87 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2hg6 h LEU 87 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2hg6 h LEU 87 CO 0.00 0.79 -0.15 -0.07 -0.00 0.00 0.00 178.44 179.01 2hg6 h LEU 88 N 0.00 0.64 -0.39 1.67 4.07 -1.23 -2.82 115.31 117.26 2hg6 h LEU 88 Ca -0.01 -0.41 -0.19 0.00 0.08 0.00 0.00 57.88 57.35 2hg6 h LEU 88 Cb 1.49 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 2hg6 h LEU 88 CO 0.10 0.92 -0.75 -0.37 -1.08 0.00 0.00 178.44 177.26 2hg6 h VAL 89 N 0.37 1.39 -0.53 1.22 -1.51 -1.61 -3.01 116.25 112.57 2hg6 h VAL 89 Ca 0.06 -2.19 -0.01 0.00 -1.23 0.00 0.00 66.70 63.34 2hg6 h VAL 89 Cb 0.68 2.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.96 2hg6 h VAL 89 CO 0.05 0.65 0.30 0.22 -1.23 0.00 0.00 177.57 177.56 2hg6 h TYR 90 N 0.26 0.71 -0.62 5.19 3.20 -1.32 -1.35 116.97 123.04 2hg6 h TYR 90 Ca -0.03 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2hg6 h TYR 90 Cb 1.33 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 2hg6 h TYR 90 CO 0.04 0.49 0.27 1.25 -1.64 0.00 0.00 178.16 178.58 2hg6 h LEU 91 N 0.74 0.81 0.05 2.82 6.46 -1.36 -3.10 115.31 121.73 2hg6 h LEU 91 Ca 0.19 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2hg6 h LEU 91 Cb 0.01 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 2hg6 h LEU 91 CO -0.03 0.71 -0.02 0.03 -0.62 0.00 0.00 178.44 178.50 2hg6 h ARG 92 N 0.88 -0.06 -2.95 1.25 3.08 -1.33 -3.48 114.38 111.77 2hg6 h ARG 92 Ca 0.21 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.29 2hg6 h ARG 92 Cb 0.14 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 2hg6 h ARG 92 CO -0.02 0.56 0.24 -0.98 -1.07 0.00 0.00 179.97 178.70 2hg6 s ARG 93 N -3.23 1.45 -0.11 0.04 1.70 -0.59 -5.14 118.95 113.07 2hg6 s ARG 93 Ca -0.15 -0.67 0.02 0.00 -0.47 0.00 0.00 55.73 54.46 2hg6 s ARG 93 Cb -0.00 0.58 -0.00 0.00 -0.57 0.00 0.00 34.95 34.96 2hg6 s ARG 93 CO 0.60 -0.65 -0.20 1.14 -1.08 0.00 0.00 175.30 175.10 2hg6 s GLN 94 N -3.77 3.16 0.11 3.89 -2.07 -1.26 -3.78 119.66 115.94 2hg6 s GLN 94 Ca 0.05 -0.81 -0.18 0.00 -1.82 0.00 0.00 55.36 52.60 2hg6 s GLN 94 Cb -0.03 -2.43 -0.05 0.00 -1.09 0.00 0.00 33.01 29.41 2hg6 s GLN 94 CO -0.05 0.17 1.65 0.22 -1.32 0.00 0.00 175.29 175.97 2hg6 h ASP 95 N 6.78 0.41 -3.58 12.60 3.58 -1.94 -3.37 116.42 130.89 2hg6 h ASP 95 Ca -0.23 -0.17 -0.70 0.00 0.42 0.00 0.00 57.03 56.35 2hg6 h ASP 95 Cb 1.23 -0.11 -0.28 0.00 1.72 0.00 0.00 39.33 41.89 2hg6 h ASP 95 CO 0.51 0.46 -0.54 -0.22 -2.88 0.00 0.00 179.24 176.57 2hg6 s LEU 96 N -9.81 4.69 0.22 2.28 2.96 -1.26 -4.96 118.68 112.80 2hg6 s LEU 96 Ca -0.13 -1.25 0.18 0.00 -0.22 0.00 0.00 54.13 52.71 2hg6 s LEU 96 Cb 0.09 -1.94 0.88 0.00 0.50 0.00 0.00 46.19 45.72 2hg6 s LEU 96 CO 0.73 -0.41 1.56 -2.65 -1.32 0.00 0.00 176.35 174.26 2hg6 n PRO 97 N 4.88 0.12 -3.47 0.98 -0.02 -1.26 -3.95 135.00 132.28 2hg6 n PRO 97 Ca -0.11 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 2hg6 n PRO 97 Cb 0.44 -1.82 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 2hg6 n PRO 97 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2hg6 s GLU 98 N -3.35 0.64 -0.48 -0.52 2.56 -1.26 -5.09 118.70 111.21 2hg6 s GLU 98 Ca 0.01 -1.46 -0.20 0.00 0.00 0.00 0.00 54.97 53.32 2hg6 s GLU 98 Cb 0.06 -1.39 0.04 0.00 2.00 0.00 0.00 34.13 34.84 2hg6 s GLU 98 CO 0.23 -1.22 0.67 0.42 -0.56 0.00 0.00 175.26 174.79 2hg6 s ILE 99 N 0.91 4.80 -0.08 -3.70 1.01 -1.25 -5.01 121.20 117.87 2hg6 s ILE 99 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 2hg6 s ILE 99 Cb -0.20 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.01 2hg6 s ILE 99 CO -0.01 -0.75 -0.03 -0.89 0.00 0.00 0.00 174.94 173.27 2hg6 s THR 100 N 2.86 0.59 0.14 2.92 2.01 -1.26 -1.26 115.64 121.63 2hg6 s THR 100 Ca 0.20 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.24 2hg6 s THR 100 Cb -0.16 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2hg6 s THR 100 CO 0.16 0.29 -0.13 0.00 -0.69 0.00 0.00 174.62 174.26 2hg6 s ALA 101 N 1.83 1.50 0.11 7.40 0.00 -0.20 -4.96 121.76 127.44 2hg6 s ALA 101 Ca 0.04 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 50.70 2hg6 s ALA 101 Cb -0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2hg6 s ALA 101 CO -0.06 0.03 -0.21 1.14 0.00 0.00 0.00 175.76 176.66 2hg6 s GLN 102 N -3.10 1.17 0.52 0.00 -2.07 -1.26 -0.08 119.66 114.83 2hg6 s GLN 102 Ca 0.12 -1.20 -0.17 0.00 -1.82 0.00 0.00 55.36 52.28 2hg6 s GLN 102 Cb -0.02 -1.44 -0.07 0.00 -1.09 0.00 0.00 33.01 30.39 2hg6 s GLN 102 CO 0.02 0.33 1.01 1.03 -1.32 0.00 0.00 175.29 176.36 2hg6 s ARG 103 N -2.00 3.80 -0.71 9.60 0.52 -1.26 -4.98 118.95 123.91 2hg6 s ARG 103 Ca 0.08 1.10 -0.20 0.00 -0.52 0.00 0.00 55.73 56.19 2hg6 s ARG 103 Cb -0.10 -2.11 0.10 0.00 0.52 0.00 0.00 34.95 33.36 2hg6 s ARG 103 CO 0.05 -0.40 0.93 1.14 0.02 0.00 0.00 175.30 177.03 2hg6 s GLN 104 N -3.83 3.22 0.20 3.54 0.00 -1.26 -4.77 119.66 116.77 2hg6 s GLN 104 Ca 0.62 -1.24 0.18 0.00 -0.00 0.00 0.00 55.36 54.92 2hg6 s GLN 104 Cb -0.12 -4.41 0.01 0.00 0.00 0.00 0.00 33.01 28.49 2hg6 s GLN 104 CO 0.29 -1.72 1.15 1.25 0.00 0.00 0.00 175.29 176.26 2hg6 h LEU 105 N 10.64 0.00 0.00 2.60 5.85 -2.04 -3.57 115.31 128.79 2hg6 h LEU 105 Ca -0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2hg6 h LEU 105 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2hg6 h LEU 105 CO 1.13 0.35 0.00 0.54 -0.34 0.00 0.00 178.44 180.12