#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 6.53 0.31 7.83 1.04 -1.26 -4.92 113.70 123.22 2hg6 s SER 2 Ca 0.00 1.42 -0.27 0.00 0.48 0.00 0.00 55.95 57.58 2hg6 s SER 2 Cb 0.00 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 2hg6 s SER 2 CO 0.00 -0.59 1.00 -0.63 0.98 0.00 0.00 173.24 174.00 2hg6 s ILE 3 N -2.65 3.91 0.76 -1.02 -1.09 -1.26 -4.94 121.20 114.91 2hg6 s ILE 3 Ca 0.56 1.72 -0.01 0.00 -2.23 0.00 0.00 60.65 60.69 2hg6 s ILE 3 Cb -0.10 -4.02 0.15 0.00 -1.58 0.00 0.00 42.46 36.91 2hg6 s ILE 3 CO 0.35 0.26 1.04 0.42 -1.23 0.00 0.00 174.94 175.79 2hg6 s THR 4 N -1.40 2.01 0.05 2.92 -4.23 -1.26 -5.11 115.64 108.61 2hg6 s THR 4 Ca 0.48 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 2hg6 s THR 4 Cb -0.24 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.19 2hg6 s THR 4 CO 0.31 0.00 0.06 -1.20 -0.54 0.00 0.00 174.62 173.25 2hg6 n SER 5 N -2.94 -0.21 0.23 3.99 7.64 -1.26 -4.80 113.62 116.27 2hg6 n SER 5 Ca 0.17 -0.92 0.16 0.00 1.01 0.00 0.00 58.87 59.28 2hg6 n SER 5 Cb 0.61 -0.05 0.67 0.00 -1.01 0.00 0.00 64.21 64.43 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 -1.14 0.11 -0.14 0.44 2.02 -2.03 0.60 112.91 112.76 2hg6 h THR 6 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 2hg6 h THR 6 Cb 0.05 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2hg6 h THR 6 CO 0.01 0.00 0.41 0.44 0.37 0.00 0.00 175.52 176.75 2hg6 h ASP 7 N 0.00 0.00 -0.86 4.18 5.19 -2.00 0.55 116.42 123.48 2hg6 h ASP 7 Ca 0.09 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2hg6 h ASP 7 Cb 1.11 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.57 2hg6 h ASP 7 CO -0.00 0.00 0.56 -0.29 -3.12 0.00 0.00 179.24 176.39 2hg6 h ILE 8 N 0.00 1.11 -0.01 0.35 2.10 -1.18 -1.19 117.51 118.70 2hg6 h ILE 8 Ca 0.07 -0.35 -0.15 0.00 1.08 0.00 0.00 64.86 65.50 2hg6 h ILE 8 Cb 0.89 -0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.59 2hg6 h ILE 8 CO -0.00 0.19 -0.70 0.00 -1.08 0.00 0.00 178.15 176.55 2hg6 h GLN 10 N 0.03 0.32 0.00 0.00 1.08 -1.37 -3.08 115.11 112.08 2hg6 h GLN 10 Ca -0.01 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 2hg6 h GLN 10 Cb 1.25 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2hg6 h GLN 10 CO 0.09 0.94 -0.02 0.00 -0.95 0.00 0.00 178.83 178.90 2hg6 h ALA 11 N 0.97 1.05 0.00 3.87 0.00 -1.20 -1.84 119.26 122.11 2hg6 h ALA 11 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2hg6 h ALA 11 Cb 1.35 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2hg6 h ALA 11 CO 0.13 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 179.24 2hg6 h ALA 12 N 1.98 1.37 0.00 0.00 0.00 -1.62 -1.70 119.26 119.30 2hg6 h ALA 12 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hg6 h ALA 12 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2hg6 h ALA 12 CO 0.00 0.20 -0.66 0.22 0.00 0.00 0.00 179.25 179.01 2hg6 h ASP 13 N 0.00 0.00 0.41 0.00 3.58 -1.51 -3.32 116.42 115.58 2hg6 h ASP 13 Ca -0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2hg6 h ASP 13 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2hg6 h ASP 13 CO 0.02 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.41 2hg6 n ALA 14 N -2.05 2.16 -1.27 -0.78 0.00 -0.64 -4.78 120.51 113.15 2hg6 n ALA 14 Ca 0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 2hg6 n ALA 14 Cb 0.51 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.56 3.21 0.01 0.00 1.43 -1.23 -4.96 118.68 114.58 2hg6 s LEU 15 Ca 0.21 2.13 -0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2hg6 s LEU 15 Cb 0.15 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.79 2hg6 s LEU 15 CO 0.34 -2.18 -0.01 -1.59 0.23 0.00 0.00 176.35 173.13 2hg6 s LYS 16 N -4.25 0.24 0.00 1.70 -2.85 -0.66 -4.37 119.74 109.54 2hg6 s LYS 16 Ca 0.69 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 2hg6 s LYS 16 Cb -0.23 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.62 2hg6 s LYS 16 CO 0.48 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.30 2hg6 n GLY 17 N 1.98 2.81 3.60 0.59 0.00 -1.26 -4.53 105.19 108.38 2hg6 n GLY 17 Ca -0.21 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.72 2.60 -0.09 1.61 0.08 -0.40 -0.53 117.98 118.54 2hg6 s PHE 18 Ca 0.00 -0.24 0.04 0.00 0.12 0.00 0.00 56.93 56.85 2hg6 s PHE 18 Cb 0.00 -1.16 -0.00 0.00 -0.57 0.00 0.00 43.02 41.29 2hg6 s PHE 18 CO 0.00 0.63 -0.23 0.08 -0.10 0.00 0.00 175.22 175.60 2hg6 s VAL 19 N -2.31 2.15 0.01 -0.44 1.01 0.62 -0.04 120.40 121.40 2hg6 s VAL 19 Ca 0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2hg6 s VAL 19 Cb -0.06 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2hg6 s VAL 19 CO 0.18 0.56 0.04 -0.83 0.00 0.00 0.00 175.10 175.06 2hg6 s GLY 20 N 0.18 0.15 -0.51 4.51 0.00 0.16 -1.08 107.32 110.73 2hg6 s GLY 20 Ca -0.14 -0.38 -0.21 0.00 0.00 0.00 0.00 44.72 44.00 2hg6 s GLY 20 CO 0.07 -0.47 0.74 -0.12 0.00 0.00 0.00 173.10 173.32 2hg6 s PHE 21 N -1.38 2.96 -0.55 1.90 5.36 -1.23 -0.64 117.98 124.41 2hg6 s PHE 21 Ca -0.15 -0.26 -0.28 0.00 -0.96 0.00 0.00 56.93 55.28 2hg6 s PHE 21 Cb -0.09 -3.70 0.03 0.00 -0.34 0.00 0.00 43.02 38.92 2hg6 s PHE 21 CO 0.00 -1.12 1.23 1.21 -1.46 0.00 0.00 175.22 175.09 2hg6 s ASN 22 N 2.62 6.43 0.30 6.13 3.84 0.40 -4.88 114.94 129.77 2hg6 s ASN 22 Ca 0.22 0.24 0.26 0.00 0.21 0.00 0.00 52.86 53.79 2hg6 s ASN 22 Cb -0.16 -2.55 0.88 0.00 -0.55 0.00 0.00 41.25 38.87 2hg6 s ASN 22 CO 0.16 -1.47 1.76 0.08 -2.79 0.00 0.00 177.10 174.83 2hg6 h ARG 23 N 9.78 0.00 0.16 0.43 0.11 -1.94 0.34 114.38 123.26 2hg6 h ARG 23 Ca -0.25 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.82 2hg6 h ARG 23 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2hg6 h ARG 23 CO 1.17 0.00 -0.08 -0.22 0.10 0.00 0.00 179.97 180.94 2hg6 h LYS 24 N 0.00 -0.20 0.00 0.08 3.64 -1.95 -3.07 116.57 115.06 2hg6 h LYS 24 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2hg6 h LYS 24 Cb 0.61 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2hg6 h LYS 24 CO 0.00 0.06 -0.82 0.00 -2.27 0.00 0.00 179.45 176.41 2hg6 h THR 25 N -0.45 0.00 -2.24 1.00 1.03 -1.98 -3.48 112.91 106.78 2hg6 h THR 25 Ca -0.02 -0.83 -0.07 0.00 -0.01 0.00 0.00 66.41 65.49 2hg6 h THR 25 Cb 0.35 1.38 0.03 0.00 -1.07 0.00 0.00 68.15 68.84 2hg6 h THR 25 CO 0.04 0.00 -0.13 0.61 -0.01 0.00 0.00 175.52 176.03 2hg6 n GLY 26 N 1.23 0.51 3.04 2.99 0.00 0.11 -5.07 105.19 108.00 2hg6 n GLY 26 Ca 0.01 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.78 0.48 -0.57 1.61 0.52 -0.50 -4.98 118.95 110.72 2hg6 s ARG 27 Ca 0.06 -0.71 -0.19 0.00 -0.52 0.00 0.00 55.73 54.36 2hg6 s ARG 27 Cb -0.03 -0.20 0.09 0.00 0.52 0.00 0.00 34.95 35.33 2hg6 s ARG 27 CO 0.13 0.03 0.69 -0.47 0.02 0.00 0.00 175.30 175.70 2hg6 s TYR 28 N -1.37 3.00 0.47 -0.53 5.04 -1.26 -0.45 117.35 122.23 2hg6 s TYR 28 Ca -0.11 -0.81 0.03 0.00 -2.44 0.00 0.00 57.07 53.73 2hg6 s TYR 28 Cb -0.10 -3.89 -0.01 0.00 0.35 0.00 0.00 41.96 38.32 2hg6 s TYR 28 CO 0.00 -1.23 0.10 0.44 -1.34 0.00 0.00 175.55 173.51 2hg6 n ILE 29 N 5.59 0.00 -2.94 3.14 -6.64 0.19 -4.89 119.36 113.81 2hg6 n ILE 29 Ca -0.08 -2.50 -0.38 0.00 -1.77 0.00 0.00 62.75 58.01 2hg6 n ILE 29 Cb 0.43 0.76 -0.06 0.00 -1.44 0.00 0.00 39.64 39.33 2hg6 n ILE 29 CO 0.00 0.00 0.00 0.68 -1.77 0.00 0.00 176.55 175.46 2hg6 s VAL 30 N -3.07 4.34 -0.03 7.28 -7.23 -1.26 0.35 120.40 120.78 2hg6 s VAL 30 Ca 0.14 1.70 0.01 0.00 -1.81 0.00 0.00 61.98 62.02 2hg6 s VAL 30 Cb 0.01 -4.10 0.02 0.00 0.56 0.00 0.00 36.38 32.87 2hg6 s VAL 30 CO 0.10 0.40 -0.02 -0.13 -0.31 0.00 0.00 175.10 175.14 2hg6 s ARG 31 N -1.44 0.46 -0.27 4.82 1.81 0.94 -4.80 118.95 120.47 2hg6 s ARG 31 Ca 0.40 -0.04 0.11 0.00 -1.72 0.00 0.00 55.73 54.48 2hg6 s ARG 31 Cb -0.22 -0.54 0.52 0.00 -0.45 0.00 0.00 34.95 34.27 2hg6 s ARG 31 CO 0.26 -0.05 1.47 1.19 -0.68 0.00 0.00 175.30 177.49 2hg6 n PHE 32 N 3.77 1.14 -3.47 -0.53 3.72 -1.26 -1.27 117.46 119.56 2hg6 n PHE 32 Ca -0.23 -1.40 -0.08 0.00 -0.05 0.00 0.00 57.45 55.70 2hg6 n PHE 32 Cb 0.53 -0.46 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 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 -2.30 -0.10 0.33 4.37 0.15 -1.26 -5.00 113.70 109.89 2hg6 s SER 33 Ca 0.44 0.62 0.13 0.00 0.70 0.00 0.00 55.95 57.84 2hg6 s SER 33 Cb 0.39 1.30 0.57 0.00 -1.71 0.00 0.00 66.02 66.57 2hg6 s SER 33 CO 0.03 -0.27 1.73 -0.33 1.20 0.00 0.00 173.24 175.60 2hg6 h GLU 34 N 8.16 0.00 0.00 5.44 5.08 -1.96 -2.65 114.58 128.65 2hg6 h GLU 34 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2hg6 h GLU 34 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2hg6 h GLU 34 CO 0.20 0.48 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 2hg6 n ASP 35 N -3.90 0.39 0.10 1.42 9.92 -1.26 -2.64 116.55 120.58 2hg6 n ASP 35 Ca -0.01 0.60 0.05 0.00 -0.53 0.00 0.00 54.79 54.89 2hg6 n ASP 35 Cb 0.51 -0.68 0.48 0.00 -0.64 0.00 0.00 41.12 40.78 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2hg6 h SER 36 N 0.00 0.28 -3.79 -2.24 0.87 -1.88 -3.34 113.55 103.44 2hg6 h SER 36 Ca 0.00 -0.02 -0.67 0.00 -1.23 0.00 0.00 61.79 59.87 2hg6 h SER 36 Cb 0.31 -0.07 -0.38 0.00 -0.44 0.00 0.00 62.40 61.81 2hg6 h SER 36 CO 0.00 0.26 -0.64 -0.36 -0.53 0.00 0.00 176.83 175.56 2hg6 s PHE 37 N -5.18 3.60 -0.04 2.24 0.08 -1.08 -4.86 117.98 112.73 2hg6 s PHE 37 Ca -0.07 -2.87 0.06 0.00 0.12 0.00 0.00 56.93 54.18 2hg6 s PHE 37 Cb 0.17 -3.01 0.10 0.00 -0.57 0.00 0.00 43.02 39.71 2hg6 s PHE 37 CO 0.71 -0.91 0.99 0.41 -0.10 0.00 0.00 175.22 176.32 2hg6 n GLY 38 N 4.09 2.63 3.23 4.36 0.00 -1.26 -4.84 105.19 113.40 2hg6 n GLY 38 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2hg6 n GLY 38 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2hg6 s MET 39 N -1.41 0.38 0.00 1.61 0.23 -1.26 -4.97 119.30 113.87 2hg6 s MET 39 Ca 0.11 0.59 0.00 0.00 -1.03 0.00 0.00 55.69 55.35 2hg6 s MET 39 Cb 0.10 0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 2hg6 s MET 39 CO 0.01 -0.10 0.00 -0.25 -2.03 0.00 0.00 175.02 172.65 2hg6 n ASP 40 N 3.49 0.00 -4.69 -1.18 8.00 -1.26 -4.85 116.55 116.06 2hg6 n ASP 40 Ca -0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 2hg6 n ASP 40 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 2hg6 n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2hg6 s VAL 41 N 0.00 4.34 0.46 2.53 1.01 -1.26 -5.01 120.40 122.46 2hg6 s VAL 41 Ca 0.00 1.65 -0.21 0.00 0.00 0.00 0.00 61.98 63.42 2hg6 s VAL 41 Cb 0.00 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2hg6 s VAL 41 CO 0.00 0.01 1.05 0.00 0.00 0.00 0.00 175.10 176.15 2hg6 s ALA 42 N 2.12 2.94 -0.51 5.51 0.00 -1.26 -4.67 121.76 125.89 2hg6 s ALA 42 Ca 0.55 0.65 0.22 0.00 0.00 0.00 0.00 51.96 53.38 2hg6 s ALA 42 Cb -0.24 -3.26 0.95 0.00 0.00 0.00 0.00 23.12 20.57 2hg6 s ALA 42 CO 0.22 -0.30 1.67 -0.40 0.00 0.00 0.00 175.76 176.95 2hg6 n ASP 43 N -0.67 0.58 0.25 0.00 5.75 -1.26 -1.00 116.55 120.19 2hg6 n ASP 43 Ca 0.08 0.66 0.13 0.00 -0.01 0.00 0.00 54.79 55.65 2hg6 n ASP 43 Cb 0.51 -0.77 0.62 0.00 -1.03 0.00 0.00 41.12 40.45 2hg6 n ASP 43 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2hg6 h ASP 44 N 0.00 0.00 0.09 -1.12 3.58 -2.01 -1.84 116.42 115.13 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 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2hg6 h ASP 44 CO 0.00 0.14 -0.00 -0.24 -2.88 0.00 0.00 179.24 176.25 2hg6 n SER 45 N -3.38 0.12 -4.17 2.28 2.88 -0.17 -4.51 113.62 106.66 2hg6 n SER 45 Ca -0.00 -0.90 -0.37 0.00 -1.33 0.00 0.00 58.87 56.27 2hg6 n SER 45 Cb 0.33 -0.04 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 2hg6 n SER 45 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2hg6 s ILE 46 N -2.10 3.45 -0.12 2.46 1.01 -0.69 -3.52 121.20 121.69 2hg6 s ILE 46 Ca 0.44 -1.76 0.03 0.00 0.00 0.00 0.00 60.65 59.36 2hg6 s ILE 46 Cb 0.22 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2hg6 s ILE 46 CO 0.38 -0.52 -0.22 -0.89 0.00 0.00 0.00 174.94 173.69 2hg6 s THR 47 N 1.23 2.14 0.29 2.92 2.01 -0.24 -4.89 115.64 119.10 2hg6 s THR 47 Ca 0.04 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 2hg6 s THR 47 Cb -0.22 -1.84 -0.11 0.00 0.01 0.00 0.00 72.50 70.34 2hg6 s THR 47 CO -0.02 0.55 1.53 -2.16 -0.69 0.00 0.00 174.62 173.83 2hg6 s PRO 48 N 0.59 4.17 0.56 4.92 0.04 -1.26 -0.28 135.00 143.74 2hg6 s PRO 48 Ca -0.12 2.48 0.37 0.00 0.04 0.00 0.00 61.00 63.77 2hg6 s PRO 48 Cb -0.17 -3.05 1.86 0.00 0.04 0.00 0.00 34.50 33.19 2hg6 s PRO 48 CO 0.03 -0.54 2.12 0.00 0.04 0.00 0.00 177.00 178.65 2hg6 h THR 49 N 3.38 0.00 -0.40 1.26 1.03 -1.13 0.52 112.91 117.58 2hg6 h THR 49 Ca -0.47 -0.17 -0.06 0.00 -0.01 0.00 0.00 66.41 65.70 2hg6 h THR 49 Cb 1.22 1.08 -0.02 0.00 -1.07 0.00 0.00 68.15 69.37 2hg6 h THR 49 CO 0.77 0.00 -0.01 0.28 -0.01 0.00 0.00 175.52 176.55 2hg6 h SER 50 N 0.00 0.60 0.05 0.00 0.02 -1.79 -3.01 113.55 109.42 2hg6 h SER 50 Ca 0.00 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2hg6 h SER 50 Cb 0.18 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2hg6 h SER 50 CO 0.00 0.68 -2.04 1.21 -1.14 0.00 0.00 176.83 175.54 2hg6 n GLU 51 N -4.25 0.66 0.28 3.45 2.13 -0.50 -4.38 120.64 118.03 2hg6 n GLU 51 Ca 0.02 -0.14 0.15 0.00 0.66 0.00 0.00 57.16 57.85 2hg6 n GLU 51 Cb 0.27 -1.54 0.82 0.00 0.27 0.00 0.00 31.44 31.27 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 -0.81 -1.28 116.94 122.73 2hg6 h PHE 52 Ca -0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2hg6 h PHE 52 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2hg6 h PHE 52 CO 0.00 0.07 -0.06 1.33 -2.23 0.00 0.00 178.31 177.43 2hg6 n VAL 53 N -3.58 0.00 -3.86 1.41 0.24 -1.19 -4.74 118.33 106.60 2hg6 n VAL 53 Ca -0.02 -0.10 -0.36 0.00 -2.04 0.00 0.00 64.34 61.82 2hg6 n VAL 53 Cb 0.19 -0.01 -0.13 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.22 3.03 -0.15 6.34 0.52 -0.48 0.29 118.94 126.27 2hg6 s TRP 54 Ca 0.36 -0.60 -0.02 0.00 0.02 0.00 0.00 56.10 55.87 2hg6 s TRP 54 Cb 0.21 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 2hg6 s TRP 54 CO 0.41 -0.40 -0.09 -1.12 0.02 0.00 0.00 176.95 175.78 2hg6 s SER 55 N 1.45 4.32 -0.21 2.95 0.01 -0.25 -4.90 113.70 117.08 2hg6 s SER 55 Ca 0.05 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 2hg6 s SER 55 Cb -0.15 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 2hg6 s SER 55 CO 0.01 0.14 1.56 -0.44 0.41 0.00 0.00 173.24 174.92 2hg6 s SER 56 N 0.50 6.48 0.00 2.44 0.01 -1.26 -0.76 113.70 121.10 2hg6 s SER 56 Ca -0.06 1.63 0.08 0.00 1.31 0.00 0.00 55.95 58.91 2hg6 s SER 56 Cb -0.15 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.59 2hg6 s SER 56 CO 0.04 -1.17 0.71 1.33 0.41 0.00 0.00 173.24 174.55 2hg6 n VAL 57 N 6.23 0.00 -2.76 3.43 0.24 -1.06 -4.95 118.33 119.46 2hg6 n VAL 57 Ca 0.18 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2hg6 n VAL 57 Cb 0.45 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 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 0.28 0.00 0.23 7.34 3.00 -0.89 -5.03 116.66 121.59 2hg6 n ARG 58 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.80 2hg6 n ARG 58 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.61 2hg6 n ARG 58 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2hg6 h ASP 59 N 0.00 -0.53 0.00 6.15 3.58 -2.02 -3.40 116.42 120.20 2hg6 h ASP 59 Ca 0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2hg6 h ASP 59 Cb 0.00 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2hg6 h ASP 59 CO 0.00 -0.25 -1.39 -0.67 -2.88 0.00 0.00 179.24 174.05 2hg6 n ASP 60 N -4.40 3.23 -4.63 2.28 2.03 -1.26 -4.98 116.55 108.82 2hg6 n ASP 60 Ca -0.08 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.81 2hg6 n ASP 60 Cb 0.25 1.18 -0.02 0.00 -0.72 0.00 0.00 41.12 41.80 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 -2.44 3.79 -0.01 5.18 1.01 -1.26 -4.59 120.40 122.08 2hg6 s VAL 61 Ca -0.03 0.90 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2hg6 s VAL 61 Cb 0.04 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2hg6 s VAL 61 CO 0.31 -0.31 -0.14 -0.04 0.00 0.00 0.00 175.10 174.93 2hg6 s MET 62 N 4.51 2.39 0.28 2.72 -1.94 -0.63 -2.09 119.30 124.53 2hg6 s MET 62 Ca 0.68 -0.78 0.06 0.00 -1.71 0.00 0.00 55.69 53.94 2hg6 s MET 62 Cb -0.24 -2.35 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 2hg6 s MET 62 CO 0.28 0.60 0.35 1.03 -0.01 0.00 0.00 175.02 177.26 2hg6 s ARG 63 N -1.07 3.18 -0.26 2.03 0.52 0.06 -0.26 118.95 123.14 2hg6 s ARG 63 Ca 0.14 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 54.12 2hg6 s ARG 63 Cb -0.11 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 2hg6 s ARG 63 CO 0.03 0.29 1.78 -1.17 0.02 0.00 0.00 175.30 176.26 2hg6 s LEU 64 N -4.00 3.69 -0.85 2.53 1.98 -0.18 -1.09 118.68 120.76 2hg6 s LEU 64 Ca 0.37 1.55 -0.25 0.00 -2.89 0.00 0.00 54.13 52.91 2hg6 s LEU 64 Cb -0.09 -3.53 0.03 0.00 0.66 0.00 0.00 46.19 43.27 2hg6 s LEU 64 CO 0.28 -1.53 1.42 -0.83 -1.89 0.00 0.00 176.35 173.80 2hg6 s GLY 65 N 5.52 0.95 0.35 7.98 0.00 0.14 -4.82 107.32 117.44 2hg6 s GLY 65 Ca 0.79 -1.67 0.26 0.00 0.00 0.00 0.00 44.72 44.10 2hg6 s GLY 65 CO 0.33 2.76 1.78 3.21 0.00 0.00 0.00 173.10 181.17 2hg6 h ARG 66 N 10.32 0.00 0.00 2.90 3.08 -1.91 -0.55 114.38 128.23 2hg6 h ARG 66 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2hg6 h ARG 66 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 2hg6 h ARG 66 CO 1.33 0.00 -0.09 0.93 -1.07 0.00 0.00 179.97 181.07 2hg6 h GLU 67 N 0.00 0.00 -0.31 0.04 5.08 -1.96 -2.94 114.58 114.49 2hg6 h GLU 67 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2hg6 h GLU 67 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2hg6 h GLU 67 CO 0.00 0.09 0.21 -0.56 -1.00 0.00 0.00 179.01 177.75 2hg6 h GLN 68 N 0.00 0.22 -0.20 2.33 -0.00 -1.43 -0.33 115.11 115.70 2hg6 h GLN 68 Ca -0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.54 2hg6 h GLN 68 Cb 0.37 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.79 2hg6 h GLN 68 CO 0.01 0.15 -0.28 -0.07 -0.00 0.00 0.00 178.83 178.65 2hg6 h LEU 69 N 0.23 0.37 -1.17 0.06 4.07 -1.73 -1.45 115.31 115.70 2hg6 h LEU 69 Ca 0.13 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2hg6 h LEU 69 Cb 0.24 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2hg6 h LEU 69 CO -0.02 0.65 -0.35 1.56 -1.08 0.00 0.00 178.44 179.19 2hg6 h GLN 70 N 0.33 0.11 0.05 1.13 1.08 -1.22 -2.34 115.11 114.25 2hg6 h GLN 70 Ca 0.05 -0.04 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 2hg6 h GLN 70 Cb 0.66 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2hg6 h GLN 70 CO 0.05 0.45 -1.06 0.82 -0.95 0.00 0.00 178.83 178.14 2hg6 h ILE 71 N 0.10 1.30 -0.08 2.54 2.04 -1.26 -3.33 117.51 118.83 2hg6 h ILE 71 Ca 0.01 -2.31 -0.04 0.00 1.00 0.00 0.00 64.86 63.52 2hg6 h ILE 71 Cb 0.67 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 2hg6 h ILE 71 CO 0.05 0.70 -0.13 -0.07 0.00 0.00 0.00 178.15 178.71 2hg6 h LEU 72 N 0.27 0.11 -2.59 1.44 3.38 -0.94 -2.60 115.31 114.36 2hg6 h LEU 72 Ca -0.15 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2hg6 h LEU 72 Cb 1.73 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 2hg6 h LEU 72 CO 0.21 0.25 0.08 0.17 0.09 0.00 0.00 178.44 179.24 2hg6 h LEU 73 N 0.11 0.00 -1.10 1.67 8.10 -1.54 0.44 115.31 123.00 2hg6 h LEU 73 Ca 0.02 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.06 2hg6 h LEU 73 Cb 0.30 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.47 2hg6 h LEU 73 CO 0.02 0.00 0.61 -0.33 -4.11 0.00 0.00 178.44 174.63 2hg6 h GLU 74 N 0.00 1.11 -4.05 0.17 4.39 -1.67 -3.35 114.58 111.18 2hg6 h GLU 74 Ca 0.02 -0.07 -0.65 0.00 0.34 0.00 0.00 59.36 59.00 2hg6 h GLU 74 Cb 0.17 -0.25 -0.40 0.00 -0.10 0.00 0.00 28.75 28.16 2hg6 h GLU 74 CO -0.00 0.74 -0.69 -0.65 -1.16 0.00 0.00 179.01 177.25 2hg6 s GLN 75 N -5.98 1.61 -1.09 2.33 -1.52 0.14 -5.05 119.66 110.10 2hg6 s GLN 75 Ca -0.12 -2.11 -0.20 0.00 -1.95 0.00 0.00 55.36 50.97 2hg6 s GLN 75 Cb 0.19 -3.13 0.08 0.00 -0.22 0.00 0.00 33.01 29.93 2hg6 s GLN 75 CO 0.81 -1.02 1.46 -0.80 -0.25 0.00 0.00 175.29 175.49 2hg6 s ASN 76 N 0.47 6.66 -0.38 5.90 -0.87 -1.26 -4.82 114.94 120.64 2hg6 s ASN 76 Ca 0.13 -1.94 0.04 0.00 -1.57 0.00 0.00 52.86 49.52 2hg6 s ASN 76 Cb -0.22 -2.53 0.16 0.00 -0.02 0.00 0.00 41.25 38.65 2hg6 s ASN 76 CO -0.06 -1.28 0.41 0.27 -2.57 0.00 0.00 177.10 173.88 2hg6 s ILE 77 N 4.07 -0.37 0.19 0.60 -5.25 -1.26 -5.01 121.20 114.17 2hg6 s ILE 77 Ca 0.45 -1.02 -0.01 0.00 -0.99 0.00 0.00 60.65 59.08 2hg6 s ILE 77 Cb -0.00 -0.62 -0.08 0.00 2.95 0.00 0.00 42.46 44.71 2hg6 s ILE 77 CO -0.05 -0.56 1.47 0.78 -1.79 0.00 0.00 174.94 174.80 2hg6 h ASN 78 N 6.87 0.50 0.76 4.36 2.35 -1.96 -2.55 115.58 125.91 2hg6 h ASN 78 Ca 0.07 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.38 2hg6 h ASN 78 Cb 1.06 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 2hg6 h ASN 78 CO 0.19 1.02 -0.61 -0.33 -1.65 0.00 0.00 177.43 176.05 2hg6 h GLU 79 N 0.31 0.00 0.15 0.81 5.08 -1.95 0.21 114.58 119.19 2hg6 h GLU 79 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2hg6 h GLU 79 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2hg6 h GLU 79 CO 0.12 0.61 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.58 2hg6 h ARG 80 N 0.00 -0.19 0.00 2.33 9.65 -1.94 -3.26 114.38 120.96 2hg6 h ARG 80 Ca -0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2hg6 h ARG 80 Cb 1.16 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2hg6 h ARG 80 CO 0.08 0.24 -0.25 1.28 2.80 0.00 0.00 179.97 184.11 2hg6 n LEU 81 N -4.95 0.61 -2.77 3.80 4.77 -0.97 -4.93 117.00 112.56 2hg6 n LEU 81 Ca -0.08 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2hg6 n LEU 81 Cb 0.26 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2hg6 n LEU 81 CO 0.30 -0.08 0.10 0.59 -1.33 0.00 0.00 177.39 176.97 2hg6 n ASN 82 N -2.01 -2.66 -4.71 -1.43 5.03 0.64 -1.66 115.26 108.47 2hg6 n ASN 82 Ca 0.05 -0.44 -0.42 0.00 0.87 0.00 0.00 54.58 54.64 2hg6 n ASN 82 Cb 0.41 -3.86 -0.03 0.00 -1.02 0.00 0.00 39.78 35.28 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 -3.26 2.87 0.51 2.41 1.09 -0.67 -4.35 121.20 119.82 2hg6 s ILE 83 Ca 0.09 0.52 -0.22 0.00 -1.10 0.00 0.00 60.65 59.93 2hg6 s ILE 83 Cb -0.04 -3.34 -0.06 0.00 -1.06 0.00 0.00 42.46 37.97 2hg6 s ILE 83 CO 0.53 0.02 1.32 -0.83 -0.10 0.00 0.00 174.94 175.88 2hg6 s GLY 84 N 1.65 2.87 0.14 6.18 0.00 -1.26 -4.94 107.32 111.96 2hg6 s GLY 84 Ca 0.71 1.25 -0.16 0.00 0.00 0.00 0.00 44.72 46.52 2hg6 s GLY 84 CO 0.31 1.77 1.73 0.83 0.00 0.00 0.00 173.10 177.74 2hg6 h GLU 85 N 1.72 0.59 -0.03 2.90 5.08 -1.95 -1.29 114.58 121.60 2hg6 h GLU 85 Ca -0.50 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 57.78 2hg6 h GLU 85 Cb 1.28 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2hg6 h GLU 85 CO 0.58 0.50 0.19 -1.35 -1.00 0.00 0.00 179.01 177.94 2hg6 h PRO 86 N 0.53 0.00 0.00 2.33 0.11 -1.92 -0.17 132.00 132.89 2hg6 h PRO 86 Ca 0.14 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.09 2hg6 h PRO 86 Cb 0.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 2hg6 h PRO 86 CO -0.02 0.00 -0.78 -0.07 -0.21 0.00 0.00 178.00 176.92 2hg6 h LEU 87 N 0.00 0.00 -0.12 2.35 -0.00 -1.53 -1.76 115.31 114.25 2hg6 h LEU 87 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.75 2hg6 h LEU 87 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.06 2hg6 h LEU 87 CO -0.00 0.78 -0.51 -0.07 -0.00 0.00 0.00 178.44 178.64 2hg6 h LEU 88 N 0.00 0.65 -0.93 1.67 4.07 -0.92 -3.16 115.31 116.69 2hg6 h LEU 88 Ca -0.01 -0.63 -0.11 0.00 0.08 0.00 0.00 57.88 57.21 2hg6 h LEU 88 Cb 1.40 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 2hg6 h LEU 88 CO 0.10 1.17 -0.45 -0.37 -1.08 0.00 0.00 178.44 177.82 2hg6 h VAL 89 N 0.17 1.32 0.00 1.22 -1.51 -1.50 -2.27 116.25 113.69 2hg6 h VAL 89 Ca -0.03 -1.59 -0.00 0.00 -1.23 0.00 0.00 66.70 63.84 2hg6 h VAL 89 Cb 1.15 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 32.07 2hg6 h VAL 89 CO 0.11 0.47 -0.01 0.22 -1.23 0.00 0.00 177.57 177.13 2hg6 h TYR 90 N 0.16 0.00 -0.03 5.19 3.20 -1.33 -0.65 116.97 123.51 2hg6 h TYR 90 Ca 0.01 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2hg6 h TYR 90 Cb 0.85 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2hg6 h TYR 90 CO 0.01 0.01 -0.51 1.25 -1.64 0.00 0.00 178.16 177.28 2hg6 h LEU 91 N 0.00 0.07 0.46 2.82 5.85 -1.37 -3.19 115.31 119.95 2hg6 h LEU 91 Ca -0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2hg6 h LEU 91 Cb 0.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2hg6 h LEU 91 CO 0.00 0.57 -0.22 0.03 -0.34 0.00 0.00 178.44 178.49 2hg6 h ARG 92 N 0.05 -0.59 -2.25 1.25 2.47 -1.13 -3.46 114.38 110.72 2hg6 h ARG 92 Ca -0.00 0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2hg6 h ARG 92 Cb 0.93 0.13 -0.20 0.00 -1.65 0.00 0.00 29.97 29.18 2hg6 h ARG 92 CO 0.07 -0.31 0.05 -0.98 0.56 0.00 0.00 179.97 179.36 2hg6 s ARG 93 N -5.31 0.86 0.33 0.04 1.04 -1.13 -5.15 118.95 109.64 2hg6 s ARG 93 Ca -0.15 0.47 -0.03 0.00 -1.04 0.00 0.00 55.73 54.98 2hg6 s ARG 93 Cb 0.03 0.41 -0.04 0.00 -2.04 0.00 0.00 34.95 33.30 2hg6 s ARG 93 CO 0.57 -0.20 0.58 1.14 -0.04 0.00 0.00 175.30 177.35 2hg6 s GLN 94 N -0.53 3.56 -0.24 3.89 1.03 -1.24 -4.39 119.66 121.74 2hg6 s GLN 94 Ca -0.06 -0.10 -0.16 0.00 0.04 0.00 0.00 55.36 55.07 2hg6 s GLN 94 Cb -0.03 -2.62 -0.12 0.00 0.03 0.00 0.00 33.01 30.27 2hg6 s GLN 94 CO 0.05 0.14 -0.20 -0.40 -2.54 0.00 0.00 175.29 172.34 2hg6 n ASP 95 N -1.42 1.92 -4.06 12.60 5.75 -1.26 -5.00 116.55 125.08 2hg6 n ASP 95 Ca -0.03 0.38 -0.15 0.00 -0.01 0.00 0.00 54.79 54.98 2hg6 n ASP 95 Cb 0.55 -0.85 -0.13 0.00 -1.03 0.00 0.00 41.12 39.66 2hg6 n ASP 95 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2hg6 s LEU 96 N -7.71 2.18 0.31 -2.12 1.02 -1.26 -5.03 118.68 106.07 2hg6 s LEU 96 Ca -0.33 -0.42 0.15 0.00 0.02 0.00 0.00 54.13 53.55 2hg6 s LEU 96 Cb 0.10 -0.30 0.44 0.00 0.02 0.00 0.00 46.19 46.45 2hg6 s LEU 96 CO 0.49 -0.08 1.63 -0.65 0.02 0.00 0.00 176.35 177.76 2hg6 h PRO 97 N 4.97 0.00 -1.87 1.29 0.11 -2.02 -3.33 132.00 131.15 2hg6 h PRO 97 Ca -0.35 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.26 2hg6 h PRO 97 Cb 1.19 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.12 2hg6 h PRO 97 CO 0.44 0.52 0.49 0.39 -0.21 0.00 0.00 178.00 179.63 2hg6 n GLU 98 N -3.57 2.35 -2.15 1.05 -0.58 -1.26 -4.83 120.64 111.65 2hg6 n GLU 98 Ca -0.00 -2.39 -0.41 0.00 -0.42 0.00 0.00 57.16 53.95 2hg6 n GLU 98 Cb 0.60 -2.07 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 2hg6 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2hg6 s ILE 99 N -2.69 3.53 -0.02 -3.67 -1.09 -1.25 -4.95 121.20 111.06 2hg6 s ILE 99 Ca 0.54 0.43 0.05 0.00 -2.23 0.00 0.00 60.65 59.44 2hg6 s ILE 99 Cb 0.37 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2hg6 s ILE 99 CO -0.20 -0.88 -0.18 0.42 -1.23 0.00 0.00 174.94 172.88 2hg6 s THR 100 N 7.53 1.43 -0.13 2.92 -4.23 -1.26 -1.01 115.64 120.89 2hg6 s THR 100 Ca 0.65 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 2hg6 s THR 100 Cb -0.14 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.50 2hg6 s THR 100 CO 0.25 0.41 -0.20 0.00 -0.54 0.00 0.00 174.62 174.54 2hg6 s ALA 101 N -0.25 2.08 -0.00 3.99 0.00 0.64 -4.96 121.76 123.25 2hg6 s ALA 101 Ca 0.03 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2hg6 s ALA 101 Cb -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.11 2hg6 s ALA 101 CO 0.00 -0.01 0.19 1.14 0.00 0.00 0.00 175.76 177.08 2hg6 s GLN 102 N 0.81 0.54 -0.33 0.00 -2.07 -1.26 -1.61 119.66 115.74 2hg6 s GLN 102 Ca -0.08 -0.35 -0.09 0.00 -1.82 0.00 0.00 55.36 53.02 2hg6 s GLN 102 Cb -0.16 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.01 2hg6 s GLN 102 CO -0.01 -0.14 0.14 1.03 -1.32 0.00 0.00 175.29 174.99 2hg6 s ARG 103 N -1.39 2.98 -0.32 9.60 0.52 -1.26 -5.04 118.95 124.04 2hg6 s ARG 103 Ca -0.14 -0.95 -0.29 0.00 -0.52 0.00 0.00 55.73 53.83 2hg6 s ARG 103 Cb -0.07 -3.54 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2hg6 s ARG 103 CO 0.02 -0.55 1.67 -0.65 0.02 0.00 0.00 175.30 175.81 2hg6 s GLN 104 N 1.52 3.50 -0.01 3.54 -0.21 -1.26 -4.85 119.66 121.89 2hg6 s GLN 104 Ca 0.02 1.38 0.02 0.00 0.02 0.00 0.00 55.36 56.79 2hg6 s GLN 104 Cb -0.18 -4.12 0.06 0.00 1.00 0.00 0.00 33.01 29.77 2hg6 s GLN 104 CO 0.05 -1.66 0.91 1.47 -2.12 0.00 0.00 175.29 173.93 2hg6 n LEU 105 N 9.53 0.68 0.00 2.90 -0.00 -1.26 -5.32 117.00 123.52 2hg6 n LEU 105 Ca 0.21 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2hg6 n LEU 105 Cb 0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2hg6 n LEU 105 CO 0.68 0.15 0.18 0.54 -0.00 0.00 0.00 177.39 178.94