#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 6.40 0.21 7.83 1.04 -1.26 -4.83 113.70 123.09 2hg6 s SER 2 Ca 0.00 1.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.59 2hg6 s SER 2 Cb 0.00 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 2hg6 s SER 2 CO 0.00 -0.73 1.32 -0.63 0.98 0.00 0.00 173.24 174.18 2hg6 s ILE 3 N -2.92 3.11 0.70 -1.02 -1.09 -1.26 -4.92 121.20 113.80 2hg6 s ILE 3 Ca 0.56 0.93 0.01 0.00 -2.23 0.00 0.00 60.65 59.91 2hg6 s ILE 3 Cb -0.11 -3.59 0.12 0.00 -1.58 0.00 0.00 42.46 37.31 2hg6 s ILE 3 CO 0.44 0.15 0.97 0.42 -1.23 0.00 0.00 174.94 175.68 2hg6 s THR 4 N 0.01 2.13 0.00 2.92 -4.23 -1.26 -5.12 115.64 110.09 2hg6 s THR 4 Ca 0.56 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2hg6 s THR 4 Cb -0.37 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 70.99 2hg6 s THR 4 CO 0.40 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 173.28 2hg6 n SER 5 N -2.76 0.00 0.20 3.99 7.64 -1.26 -4.83 113.62 116.60 2hg6 n SER 5 Ca 0.15 -0.96 0.17 0.00 1.01 0.00 0.00 58.87 59.23 2hg6 n SER 5 Cb 0.61 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.48 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 -0.84 0.13 -0.16 0.44 2.02 -2.04 0.15 112.91 112.61 2hg6 h THR 6 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2hg6 h THR 6 Cb 0.00 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2hg6 h THR 6 CO 0.00 0.00 0.42 0.44 0.37 0.00 0.00 175.52 176.75 2hg6 h ASP 7 N 0.00 0.00 -0.93 4.18 5.19 -2.00 -1.34 116.42 121.52 2hg6 h ASP 7 Ca 0.11 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.63 2hg6 h ASP 7 Cb 1.14 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.58 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 0.93 -0.17 0.35 2.10 -1.28 0.40 117.51 119.83 2hg6 h ILE 8 Ca 0.08 -0.32 -0.14 0.00 1.08 0.00 0.00 64.86 65.56 2hg6 h ILE 8 Cb 0.91 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.55 2hg6 h ILE 8 CO -0.00 0.17 -0.49 0.00 -1.08 0.00 0.00 178.15 176.75 2hg6 h GLN 10 N 0.37 0.23 0.00 0.00 1.08 -1.33 -2.96 115.11 112.50 2hg6 h GLN 10 Ca 0.02 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 2hg6 h GLN 10 Cb 0.99 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2hg6 h GLN 10 CO 0.09 0.90 -0.11 0.00 -0.95 0.00 0.00 178.83 178.75 2hg6 h ALA 11 N 1.03 1.40 0.00 3.87 0.00 -0.10 -0.36 119.26 125.11 2hg6 h ALA 11 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2hg6 h ALA 11 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2hg6 h ALA 11 CO 0.12 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2hg6 h ALA 12 N 1.89 1.00 -0.00 0.00 0.00 -1.39 -1.71 119.26 119.04 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2hg6 h ALA 12 CO 0.01 0.00 -0.13 -3.47 0.00 0.00 0.00 179.25 175.66 2hg6 n ASP 13 N -2.89 0.52 -0.41 0.00 2.03 -0.15 -3.11 116.55 112.55 2hg6 n ASP 13 Ca 0.01 -0.57 0.13 0.00 0.52 0.00 0.00 54.79 54.88 2hg6 n ASP 13 Cb 0.26 -0.05 0.36 0.00 -0.72 0.00 0.00 41.12 40.97 2hg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hg6 n ALA 14 N -0.95 2.91 -1.77 -1.67 0.00 -0.64 -4.90 120.51 113.49 2hg6 n ALA 14 Ca 0.14 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 2hg6 n ALA 14 Cb 0.29 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.29 4.38 0.04 0.00 1.43 -1.18 -4.99 118.68 116.07 2hg6 s LEU 15 Ca 0.29 2.57 0.07 0.00 -1.03 0.00 0.00 54.13 56.02 2hg6 s LEU 15 Cb 0.20 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 2hg6 s LEU 15 CO 0.44 -0.55 -0.19 -1.59 0.23 0.00 0.00 176.35 174.69 2hg6 s LYS 16 N -1.89 1.29 0.00 1.70 -2.85 -1.20 -4.26 119.74 112.53 2hg6 s LYS 16 Ca 0.51 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 2hg6 s LYS 16 Cb -0.37 -1.39 0.00 0.00 -2.06 0.00 0.00 37.83 34.01 2hg6 s LYS 16 CO 0.48 0.35 0.00 0.41 0.10 0.00 0.00 175.35 176.69 2hg6 n GLY 17 N 1.85 2.69 3.66 0.59 0.00 -1.26 -4.74 105.19 107.97 2hg6 n GLY 17 Ca -0.17 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.88 2.78 -0.06 1.61 0.08 -0.56 -1.26 117.98 117.69 2hg6 s PHE 18 Ca 0.00 -0.18 0.06 0.00 0.12 0.00 0.00 56.93 56.93 2hg6 s PHE 18 Cb 0.00 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.15 2hg6 s PHE 18 CO 0.00 0.56 -0.24 0.08 -0.10 0.00 0.00 175.22 175.52 2hg6 s VAL 19 N -2.00 1.99 0.02 -0.44 1.01 0.10 0.25 120.40 121.33 2hg6 s VAL 19 Ca 0.29 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2hg6 s VAL 19 Cb -0.08 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2hg6 s VAL 19 CO 0.19 0.55 0.25 -0.83 0.00 0.00 0.00 175.10 175.26 2hg6 s GLY 20 N -0.05 -0.06 -0.23 4.51 0.00 0.11 -0.58 107.32 111.01 2hg6 s GLY 20 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 44.72 44.42 2hg6 s GLY 20 CO 0.04 -0.19 0.79 -0.12 0.00 0.00 0.00 173.10 173.62 2hg6 s PHE 21 N -2.00 3.32 -0.17 1.90 5.36 -1.26 -0.65 117.98 124.48 2hg6 s PHE 21 Ca -0.09 1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 56.93 2hg6 s PHE 21 Cb -0.03 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.62 2hg6 s PHE 21 CO -0.00 -0.36 -0.04 1.21 -1.46 0.00 0.00 175.22 174.57 2hg6 s ASN 22 N 1.33 4.71 0.46 6.13 3.84 -1.03 -4.97 114.94 125.40 2hg6 s ASN 22 Ca 0.33 -0.18 0.25 0.00 0.21 0.00 0.00 52.86 53.47 2hg6 s ASN 22 Cb -0.15 -1.77 1.04 0.00 -0.55 0.00 0.00 41.25 39.81 2hg6 s ASN 22 CO 0.08 0.14 1.88 0.08 -2.79 0.00 0.00 177.10 176.49 2hg6 h ARG 23 N 6.94 0.00 0.13 0.43 0.11 -1.95 0.17 114.38 120.21 2hg6 h ARG 23 Ca -0.32 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.47 2hg6 h ARG 23 Cb 1.19 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.29 2hg6 h ARG 23 CO 0.62 0.21 -1.24 -0.22 0.10 0.00 0.00 179.97 179.44 2hg6 h LYS 24 N 0.00 0.51 0.00 0.08 3.64 -1.95 -3.17 116.57 115.68 2hg6 h LYS 24 Ca -0.00 -0.72 -0.14 0.00 -1.27 0.00 0.00 60.65 58.52 2hg6 h LYS 24 Cb 0.65 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2hg6 h LYS 24 CO 0.03 1.32 -0.76 1.79 -2.27 0.00 0.00 179.45 179.55 2hg6 h THR 25 N 0.21 1.01 0.00 1.00 1.35 -1.96 -3.47 112.91 111.05 2hg6 h THR 25 Ca -0.17 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 2hg6 h THR 25 Cb 1.92 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.81 2hg6 h THR 25 CO 0.23 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 2hg6 n GLY 26 N 1.28 0.38 3.29 5.82 0.00 0.59 -4.99 105.19 111.57 2hg6 n GLY 26 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.49 1.16 -0.68 1.61 1.81 -1.21 -4.98 118.95 116.17 2hg6 s ARG 27 Ca 0.00 -1.50 -0.27 0.00 -1.72 0.00 0.00 55.73 52.23 2hg6 s ARG 27 Cb 0.00 -0.81 0.03 0.00 -0.45 0.00 0.00 34.95 33.72 2hg6 s ARG 27 CO 0.00 0.11 1.31 -0.47 -0.68 0.00 0.00 175.30 175.58 2hg6 s TYR 28 N -3.20 2.30 0.26 -0.53 5.04 -1.26 -2.48 117.35 117.49 2hg6 s TYR 28 Ca 0.19 0.14 0.11 0.00 -2.44 0.00 0.00 57.07 55.07 2hg6 s TYR 28 Cb 0.01 -4.55 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 2hg6 s TYR 28 CO 0.03 -1.99 -0.11 0.96 -1.34 0.00 0.00 175.55 173.10 2hg6 s ILE 29 N 5.84 2.93 0.34 3.14 -5.25 0.18 -4.84 121.20 123.53 2hg6 s ILE 29 Ca 0.40 -2.12 -0.19 0.00 -0.99 0.00 0.00 60.65 57.76 2hg6 s ILE 29 Cb -0.08 -2.54 -0.10 0.00 2.95 0.00 0.00 42.46 42.69 2hg6 s ILE 29 CO 0.18 -0.35 0.83 0.68 -1.79 0.00 0.00 174.94 174.49 2hg6 s VAL 30 N -2.31 4.52 -0.11 8.37 -7.23 -1.26 0.08 120.40 122.45 2hg6 s VAL 30 Ca 0.30 1.27 -0.07 0.00 -1.81 0.00 0.00 61.98 61.67 2hg6 s VAL 30 Cb -0.06 -3.69 0.04 0.00 0.56 0.00 0.00 36.38 33.23 2hg6 s VAL 30 CO 0.17 -0.13 0.26 -0.60 -0.31 0.00 0.00 175.10 174.48 2hg6 s ARG 31 N -2.79 0.24 -0.13 4.82 6.06 0.14 -4.89 118.95 122.40 2hg6 s ARG 31 Ca 0.55 0.50 0.17 0.00 -2.50 0.00 0.00 55.73 54.44 2hg6 s ARG 31 Cb -0.12 -0.04 0.67 0.00 0.06 0.00 0.00 34.95 35.52 2hg6 s ARG 31 CO 0.17 -0.13 1.58 1.19 -2.50 0.00 0.00 175.30 175.62 2hg6 n PHE 32 N 3.87 1.40 -3.78 5.12 3.72 -1.26 -1.50 117.46 125.03 2hg6 n PHE 32 Ca -0.22 -0.67 -0.26 0.00 -0.05 0.00 0.00 57.45 56.26 2hg6 n PHE 32 Cb 0.55 -0.28 -0.17 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.08 2.32 0.22 4.37 0.01 -1.26 -4.98 113.70 113.30 2hg6 s SER 33 Ca 0.47 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 2hg6 s SER 33 Cb 0.33 -0.58 0.19 0.00 0.21 0.00 0.00 66.02 66.16 2hg6 s SER 33 CO 0.20 -0.24 1.68 -0.33 0.41 0.00 0.00 173.24 174.96 2hg6 h GLU 34 N 8.26 0.90 0.00 12.44 3.07 -1.96 -2.55 114.58 134.75 2hg6 h GLU 34 Ca -0.19 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2hg6 h GLU 34 Cb 1.12 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2hg6 h GLU 34 CO 0.32 0.94 0.00 -3.47 -1.40 0.00 0.00 179.01 175.39 2hg6 n ASP 35 N -4.17 0.00 0.23 1.42 2.03 -1.26 -2.53 116.55 112.27 2hg6 n ASP 35 Ca 0.02 -0.47 0.11 0.00 0.52 0.00 0.00 54.79 54.97 2hg6 n ASP 35 Cb 0.36 -0.05 0.50 0.00 -0.72 0.00 0.00 41.12 41.21 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2hg6 h SER 36 N 0.00 0.00 -3.06 1.67 0.87 -1.88 -3.39 113.55 107.77 2hg6 h SER 36 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 2hg6 h SER 36 Cb 0.03 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.59 2hg6 h SER 36 CO 0.00 0.20 -0.76 -0.36 -0.53 0.00 0.00 176.83 175.38 2hg6 s PHE 37 N -3.72 1.29 0.00 2.24 0.08 -1.05 -5.05 117.98 111.77 2hg6 s PHE 37 Ca 0.00 -1.46 0.00 0.00 0.12 0.00 0.00 56.93 55.59 2hg6 s PHE 37 Cb 0.11 -1.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2hg6 s PHE 37 CO 0.63 -0.85 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 2hg6 n GLY 38 N 4.97 0.48 3.15 4.36 0.00 -1.26 -4.75 105.19 112.13 2hg6 n GLY 38 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2hg6 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hg6 n MET 39 N 0.00 3.05 0.00 1.61 2.81 -1.26 -3.23 117.12 120.11 2hg6 n MET 39 Ca 0.00 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 2hg6 n MET 39 Cb 0.00 -3.37 0.00 0.00 -0.71 0.00 0.00 33.22 29.14 2hg6 n MET 39 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2hg6 n ASP 40 N 7.07 0.00 -4.09 7.83 2.03 -1.26 -5.12 116.55 123.01 2hg6 n ASP 40 Ca 0.50 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.57 2hg6 n ASP 40 Cb 0.42 0.03 -0.16 0.00 -0.72 0.00 0.00 41.12 40.70 2hg6 n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hg6 s VAL 41 N -1.16 1.16 0.17 5.18 1.01 -1.20 -5.12 120.40 120.44 2hg6 s VAL 41 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 2hg6 s VAL 41 Cb 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 2hg6 s VAL 41 CO 0.00 0.34 1.34 0.00 0.00 0.00 0.00 175.10 176.78 2hg6 s ALA 42 N -0.01 3.55 0.22 5.51 0.00 -1.26 -4.54 121.76 125.23 2hg6 s ALA 42 Ca -0.01 1.12 0.36 0.00 0.00 0.00 0.00 51.96 53.42 2hg6 s ALA 42 Cb -0.09 -3.50 1.62 0.00 0.00 0.00 0.00 23.12 21.14 2hg6 s ALA 42 CO 0.01 -0.57 2.07 0.22 0.00 0.00 0.00 175.76 177.49 2hg6 h ASP 43 N 5.93 0.00 0.59 0.00 3.58 -1.89 -1.25 116.42 123.39 2hg6 h ASP 43 Ca -0.44 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.96 2hg6 h ASP 43 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2hg6 h ASP 43 CO 0.81 0.00 -0.25 0.44 -2.88 0.00 0.00 179.24 177.36 2hg6 h ASP 44 N 0.00 0.00 0.48 2.28 3.32 -2.01 -2.84 116.42 117.64 2hg6 h ASP 44 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 2hg6 h ASP 44 Cb 0.38 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.95 2hg6 h ASP 44 CO 0.00 0.25 -1.35 -1.28 -1.72 0.00 0.00 179.24 175.14 2hg6 h SER 45 N 0.00 0.61 -2.54 6.45 0.87 -1.61 -3.43 113.55 113.88 2hg6 h SER 45 Ca -0.00 -0.65 -0.56 0.00 -1.23 0.00 0.00 61.79 59.35 2hg6 h SER 45 Cb 0.61 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2hg6 h SER 45 CO 0.03 1.51 1.20 -0.63 -0.53 0.00 0.00 176.83 178.41 2hg6 s ILE 46 N -2.63 3.44 -0.10 2.23 1.01 -1.07 -4.72 121.20 119.35 2hg6 s ILE 46 Ca -0.06 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.12 2hg6 s ILE 46 Cb 0.06 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 39.10 2hg6 s ILE 46 CO 0.91 -0.16 -0.19 -0.89 0.00 0.00 0.00 174.94 174.61 2hg6 s THR 47 N 5.43 1.72 0.25 2.92 2.01 0.25 -4.89 115.64 123.33 2hg6 s THR 47 Ca 0.80 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 2hg6 s THR 47 Cb -0.31 -1.53 -0.12 0.00 0.01 0.00 0.00 72.50 70.56 2hg6 s THR 47 CO 0.32 0.48 1.65 -0.81 -0.69 0.00 0.00 174.62 175.58 2hg6 n PRO 48 N 3.86 2.70 0.29 4.92 -0.04 -1.26 0.02 135.00 145.48 2hg6 n PRO 48 Ca -0.20 0.97 0.19 0.00 -0.04 0.00 0.00 63.50 64.42 2hg6 n PRO 48 Cb 0.52 -2.78 0.91 0.00 -0.04 0.00 0.00 33.50 32.11 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 3.56 0.00 0.00 0.52 1.03 -1.50 0.93 112.91 117.45 2hg6 h THR 49 Ca -0.45 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 2hg6 h THR 49 Cb 1.22 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 2hg6 h THR 49 CO 0.87 0.00 -0.13 -1.54 -0.01 0.00 0.00 175.52 174.72 2hg6 n SER 50 N -2.98 0.34 -0.01 0.00 3.41 -1.26 -3.76 113.62 109.35 2hg6 n SER 50 Ca -0.01 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2hg6 n SER 50 Cb 0.18 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 2hg6 n SER 50 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2hg6 n GLU 51 N -1.74 1.50 0.27 4.33 2.13 -0.26 -4.53 120.64 122.33 2hg6 n GLU 51 Ca 0.06 -0.03 0.18 0.00 0.66 0.00 0.00 57.16 58.03 2hg6 n GLU 51 Cb 0.37 -1.12 0.87 0.00 0.27 0.00 0.00 31.44 31.83 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 -0.00 4.31 3.57 -0.98 -2.15 116.94 121.69 2hg6 h PHE 52 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2hg6 h PHE 52 Cb 0.69 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2hg6 h PHE 52 CO 0.00 0.00 -0.14 1.33 -2.23 0.00 0.00 178.31 177.27 2hg6 n VAL 53 N -2.85 0.00 -3.86 1.41 0.24 -1.26 -4.75 118.33 107.27 2hg6 n VAL 53 Ca -0.01 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.34 61.91 2hg6 n VAL 53 Cb 0.16 -0.20 -0.12 0.00 -1.47 0.00 0.00 33.84 32.21 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 -2.76 3.12 -0.19 6.34 0.52 -0.81 -1.72 118.94 123.44 2hg6 s TRP 54 Ca 0.20 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.00 2hg6 s TRP 54 Cb 0.19 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 2hg6 s TRP 54 CO 0.54 -0.22 -0.03 -1.12 0.02 0.00 0.00 176.95 176.14 2hg6 s SER 55 N 1.26 4.65 -0.30 2.95 0.01 -0.58 -4.91 113.70 116.78 2hg6 s SER 55 Ca 0.05 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.78 2hg6 s SER 55 Cb -0.15 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.31 2hg6 s SER 55 CO 0.03 0.08 1.24 -0.44 0.41 0.00 0.00 173.24 174.56 2hg6 s SER 56 N 0.91 6.76 0.00 2.44 0.01 -1.26 -0.58 113.70 121.97 2hg6 s SER 56 Ca 0.00 1.18 0.17 0.00 1.31 0.00 0.00 55.95 58.61 2hg6 s SER 56 Cb -0.14 -2.54 0.28 0.00 0.21 0.00 0.00 66.02 63.82 2hg6 s SER 56 CO 0.01 -1.01 1.19 1.33 0.41 0.00 0.00 173.24 175.17 2hg6 n VAL 57 N 6.08 0.42 -3.81 3.43 0.24 0.06 -4.98 118.33 119.77 2hg6 n VAL 57 Ca 0.14 -0.71 -0.02 0.00 -2.04 0.00 0.00 64.34 61.71 2hg6 n VAL 57 Cb 0.47 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.25 1.08 0.10 7.34 6.06 -1.14 -4.96 118.95 126.19 2hg6 s ARG 58 Ca 0.27 -0.66 -0.19 0.00 -2.50 0.00 0.00 55.73 52.65 2hg6 s ARG 58 Cb 0.16 0.33 -0.04 0.00 0.06 0.00 0.00 34.95 35.46 2hg6 s ARG 58 CO 0.23 -0.50 1.32 -0.25 -2.50 0.00 0.00 175.30 173.60 2hg6 n ASP 59 N -0.85 -0.65 -0.35 -2.12 9.92 -1.26 -3.07 116.55 118.17 2hg6 n ASP 59 Ca -0.04 1.47 0.07 0.00 -0.53 0.00 0.00 54.79 55.76 2hg6 n ASP 59 Cb 0.60 -0.33 0.14 0.00 -0.64 0.00 0.00 41.12 40.89 2hg6 n ASP 59 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2hg6 n ASP 60 N -4.39 1.83 -4.33 -2.24 8.00 -1.26 -4.97 116.55 109.20 2hg6 n ASP 60 Ca 0.01 -3.14 -0.40 0.00 0.71 0.00 0.00 54.79 51.97 2hg6 n ASP 60 Cb 0.16 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 2hg6 n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2hg6 s VAL 61 N -2.50 4.26 -0.11 2.53 1.01 -1.17 -0.73 120.40 123.68 2hg6 s VAL 61 Ca 0.30 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2hg6 s VAL 61 Cb 0.28 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2hg6 s VAL 61 CO -0.01 -0.25 -0.05 -0.04 0.00 0.00 0.00 175.10 174.76 2hg6 s MET 62 N 1.49 3.16 -0.01 2.72 -1.94 -0.45 -0.76 119.30 123.51 2hg6 s MET 62 Ca 0.01 -0.51 -0.00 0.00 -1.71 0.00 0.00 55.69 53.47 2hg6 s MET 62 Cb -0.20 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 2hg6 s MET 62 CO 0.05 0.50 0.08 -0.98 -0.01 0.00 0.00 175.02 174.66 2hg6 s ARG 63 N -0.35 3.05 -0.22 2.03 1.70 0.26 -0.28 118.95 125.14 2hg6 s ARG 63 Ca 0.06 -0.49 -0.29 0.00 -0.47 0.00 0.00 55.73 54.54 2hg6 s ARG 63 Cb -0.12 -2.85 0.00 0.00 -0.57 0.00 0.00 34.95 31.40 2hg6 s ARG 63 CO 0.02 0.65 1.16 -1.17 -1.08 0.00 0.00 175.30 174.88 2hg6 s LEU 64 N -1.70 4.10 -0.28 -1.89 1.98 0.02 -1.53 118.68 119.37 2hg6 s LEU 64 Ca 0.22 1.46 -0.11 0.00 -2.89 0.00 0.00 54.13 52.81 2hg6 s LEU 64 Cb -0.12 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.14 2hg6 s LEU 64 CO 0.13 -0.77 0.21 -0.83 -1.89 0.00 0.00 176.35 173.20 2hg6 s GLY 65 N 1.72 1.93 0.19 7.98 0.00 -0.70 -4.24 107.32 114.20 2hg6 s GLY 65 Ca 0.50 -1.09 0.18 0.00 0.00 0.00 0.00 44.72 44.31 2hg6 s GLY 65 CO 0.12 0.68 1.56 -0.96 0.00 0.00 0.00 173.10 174.51 2hg6 n ARG 66 N 5.08 0.12 0.20 2.90 -4.01 -1.26 -2.30 116.66 117.40 2hg6 n ARG 66 Ca -0.14 0.45 0.12 0.00 -1.04 0.00 0.00 57.85 57.25 2hg6 n ARG 66 Cb 0.52 -1.78 0.68 0.00 -3.04 0.00 0.00 32.46 28.84 2hg6 n ARG 66 CO 0.00 0.00 0.00 1.05 -3.04 0.00 0.00 177.63 175.64 2hg6 h GLU 67 N 0.00 0.00 -0.08 2.89 4.11 -1.96 -0.97 114.58 118.56 2hg6 h GLU 67 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 2hg6 h GLU 67 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2hg6 h GLU 67 CO 0.00 0.00 -0.24 -0.56 0.07 0.00 0.00 179.01 178.28 2hg6 h GLN 68 N 0.00 0.14 -0.59 1.06 -0.00 -1.81 -2.27 115.11 111.64 2hg6 h GLN 68 Ca 0.06 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.59 2hg6 h GLN 68 Cb 0.26 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.70 2hg6 h GLN 68 CO -0.00 0.37 0.06 -0.07 -0.00 0.00 0.00 178.83 179.20 2hg6 h LEU 69 N 0.13 0.96 -1.23 0.06 3.38 -1.38 0.34 115.31 117.58 2hg6 h LEU 69 Ca 0.02 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2hg6 h LEU 69 Cb 0.50 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2hg6 h LEU 69 CO 0.03 1.00 -0.00 1.56 0.09 0.00 0.00 178.44 181.12 2hg6 h GLN 70 N 0.89 0.52 -0.01 1.13 1.08 -1.34 -1.25 115.11 116.14 2hg6 h GLN 70 Ca 0.17 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2hg6 h GLN 70 Cb 0.47 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2hg6 h GLN 70 CO 0.02 0.55 -0.39 0.82 -0.95 0.00 0.00 178.83 178.88 2hg6 h ILE 71 N 0.50 1.49 0.00 2.54 2.04 -1.17 -3.32 117.51 119.58 2hg6 h ILE 71 Ca 0.11 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 2hg6 h ILE 71 Cb 0.33 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2hg6 h ILE 71 CO 0.01 0.55 -0.19 -0.07 0.00 0.00 0.00 178.15 178.45 2hg6 h LEU 72 N -0.31 0.00 -1.68 1.44 3.38 -0.68 -2.08 115.31 115.38 2hg6 h LEU 72 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2hg6 h LEU 72 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2hg6 h LEU 72 CO 0.08 0.19 -0.17 0.17 0.09 0.00 0.00 178.44 178.80 2hg6 h LEU 73 N 0.00 0.00 -0.88 1.67 8.10 -1.33 0.15 115.31 123.01 2hg6 h LEU 73 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2hg6 h LEU 73 Cb 0.48 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.67 2hg6 h LEU 73 CO 0.03 0.17 0.28 -0.33 -4.11 0.00 0.00 178.44 174.48 2hg6 h GLU 74 N 0.00 1.10 -0.01 0.17 5.08 -1.51 -3.02 114.58 116.39 2hg6 h GLU 74 Ca -0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2hg6 h GLU 74 Cb 0.45 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2hg6 h GLU 74 CO 0.02 0.90 -0.02 1.96 -1.00 0.00 0.00 179.01 180.87 2hg6 h GLN 75 N 1.07 0.03 0.00 2.33 1.08 -1.33 -3.47 115.11 114.82 2hg6 h GLN 75 Ca 0.24 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2hg6 h GLN 75 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2hg6 h GLN 75 CO -0.02 0.65 0.00 -1.71 -0.95 0.00 0.00 178.83 176.80 2hg6 n ASN 76 N -4.76 0.00 -3.65 1.46 2.85 0.41 -4.88 115.26 106.68 2hg6 n ASN 76 Ca -0.09 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.97 2hg6 n ASN 76 Cb 0.33 -0.39 -0.01 0.00 1.24 0.00 0.00 39.78 40.95 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 -1.97 3.46 0.23 -1.44 -6.64 -1.26 -4.65 119.36 107.09 2hg6 n ILE 77 Ca 0.00 -2.83 0.06 0.00 -1.77 0.00 0.00 62.75 58.21 2hg6 n ILE 77 Cb 0.00 -2.59 0.53 0.00 -1.44 0.00 0.00 39.64 36.14 2hg6 n ILE 77 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2hg6 h ASN 78 N 5.98 0.00 0.27 7.28 -1.07 -1.92 -0.11 115.58 126.01 2hg6 h ASN 78 Ca 0.61 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.81 2hg6 h ASN 78 Cb 0.58 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.82 2hg6 h ASN 78 CO 1.87 0.18 -0.67 -0.08 0.07 0.00 0.00 177.43 178.81 2hg6 h GLU 79 N 0.00 0.36 0.00 4.14 4.81 -1.92 -0.83 114.58 121.14 2hg6 h GLU 79 Ca -0.00 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 2hg6 h GLU 79 Cb 0.33 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2hg6 h GLU 79 CO 0.02 0.90 -0.53 -0.09 -0.73 0.00 0.00 179.01 178.58 2hg6 h ARG 80 N 0.26 0.00 0.00 1.92 2.43 -1.74 -3.33 114.38 113.92 2hg6 h ARG 80 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2hg6 h ARG 80 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2hg6 h ARG 80 CO 0.11 1.00 -0.01 -0.11 -1.51 0.00 0.00 179.97 179.45 2hg6 n LEU 81 N -4.54 0.22 -2.44 3.80 7.94 -0.13 -4.93 117.00 116.93 2hg6 n LEU 81 Ca -0.19 0.52 -0.13 0.00 -1.11 0.00 0.00 56.01 55.09 2hg6 n LEU 81 Cb 0.56 -0.45 0.05 0.00 0.53 0.00 0.00 43.42 44.12 2hg6 n LEU 81 CO 0.27 -0.05 0.12 0.59 -1.11 0.00 0.00 177.39 177.22 2hg6 n ASN 82 N -1.71 -3.68 -4.67 1.96 5.03 -0.40 -3.22 115.26 108.58 2hg6 n ASN 82 Ca 0.07 -0.35 -0.43 0.00 0.87 0.00 0.00 54.58 54.73 2hg6 n ASN 82 Cb 0.36 -3.32 -0.03 0.00 -1.02 0.00 0.00 39.78 35.77 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2hg6 n ILE 83 N -3.62 0.57 -1.29 2.41 -0.00 -0.74 -4.60 119.36 112.09 2hg6 n ILE 83 Ca -0.07 -0.10 -0.32 0.00 -0.00 0.00 0.00 62.75 62.26 2hg6 n ILE 83 Cb 0.56 -2.15 0.10 0.00 -0.00 0.00 0.00 39.64 38.15 2hg6 n ILE 83 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2hg6 s GLY 84 N 3.67 1.96 0.08 7.39 0.00 -1.26 -4.88 107.32 114.27 2hg6 s GLY 84 Ca 0.87 0.56 -0.18 0.00 0.00 0.00 0.00 44.72 45.97 2hg6 s GLY 84 CO 0.42 0.94 1.45 0.83 0.00 0.00 0.00 173.10 176.74 2hg6 h GLU 85 N -0.82 0.48 -0.16 2.90 5.08 -1.95 -1.76 114.58 118.36 2hg6 h GLU 85 Ca -0.45 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 57.75 2hg6 h GLU 85 Cb 1.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2hg6 h GLU 85 CO 0.49 0.74 0.16 -1.35 -1.00 0.00 0.00 179.01 178.05 2hg6 h PRO 86 N 0.21 0.00 -0.02 2.33 0.11 -1.93 -0.51 132.00 132.19 2hg6 h PRO 86 Ca 0.06 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.00 2hg6 h PRO 86 Cb 0.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2hg6 h PRO 86 CO 0.03 0.00 -0.74 -0.07 -0.21 0.00 0.00 178.00 177.01 2hg6 h LEU 87 N 0.00 0.18 -0.38 2.35 -0.00 -1.69 -1.46 115.31 114.32 2hg6 h LEU 87 Ca 0.07 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.88 57.66 2hg6 h LEU 87 Cb 0.40 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2hg6 h LEU 87 CO -0.00 0.85 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.80 2hg6 h LEU 88 N 0.10 1.00 -0.79 1.67 3.38 -0.29 -3.08 115.31 117.30 2hg6 h LEU 88 Ca -0.02 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 2hg6 h LEU 88 Cb 1.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2hg6 h LEU 88 CO 0.11 1.27 -0.57 -0.37 0.09 0.00 0.00 178.44 178.98 2hg6 h VAL 89 N 0.75 1.39 -0.81 1.22 -1.51 -1.26 -2.82 116.25 113.21 2hg6 h VAL 89 Ca 0.05 -1.92 0.11 0.00 -1.23 0.00 0.00 66.70 63.71 2hg6 h VAL 89 Cb 1.02 2.00 -0.08 0.00 -2.13 0.00 0.00 31.29 32.10 2hg6 h VAL 89 CO 0.10 0.56 0.44 0.22 -1.23 0.00 0.00 177.57 177.66 2hg6 h TYR 90 N 0.09 0.80 -0.20 5.19 5.03 -1.18 -0.93 116.97 125.76 2hg6 h TYR 90 Ca -0.00 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 2hg6 h TYR 90 Cb 1.03 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 2hg6 h TYR 90 CO 0.01 0.29 -0.18 1.25 -1.32 0.00 0.00 178.16 178.20 2hg6 h LEU 91 N 0.72 0.34 0.57 2.82 6.46 -1.44 -3.17 115.31 121.60 2hg6 h LEU 91 Ca 0.41 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 58.05 2hg6 h LEU 91 Cb 0.43 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2hg6 h LEU 91 CO -0.28 0.54 -0.27 0.03 -0.62 0.00 0.00 178.44 177.84 2hg6 h ARG 92 N 0.32 -0.73 -1.08 1.25 3.08 -1.10 -3.47 114.38 112.65 2hg6 h ARG 92 Ca 0.06 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.34 2hg6 h ARG 92 Cb 0.51 0.17 -0.30 0.00 0.08 0.00 0.00 29.97 30.43 2hg6 h ARG 92 CO 0.03 -0.43 0.59 0.50 -1.07 0.00 0.00 179.97 179.60 2hg6 s ARG 93 N -5.08 0.15 0.04 0.04 6.06 -0.85 -5.13 118.95 114.17 2hg6 s ARG 93 Ca -0.15 0.28 0.08 0.00 -2.50 0.00 0.00 55.73 53.44 2hg6 s ARG 93 Cb 0.02 0.06 -0.03 0.00 0.06 0.00 0.00 34.95 35.06 2hg6 s ARG 93 CO 0.52 -0.03 -0.22 -0.65 -2.50 0.00 0.00 175.30 172.42 2hg6 s GLN 94 N 1.33 1.95 0.14 5.12 -1.52 -1.26 -4.68 119.66 120.75 2hg6 s GLN 94 Ca -0.07 -1.04 -0.14 0.00 -1.95 0.00 0.00 55.36 52.17 2hg6 s GLN 94 Cb -0.03 -2.09 0.02 0.00 -0.22 0.00 0.00 33.01 30.69 2hg6 s GLN 94 CO -0.12 0.53 1.63 0.22 -0.25 0.00 0.00 175.29 177.30 2hg6 h ASP 95 N 4.70 0.75 -3.34 5.90 3.58 -1.99 -3.41 116.42 122.61 2hg6 h ASP 95 Ca -0.47 -0.25 -0.62 0.00 0.42 0.00 0.00 57.03 56.11 2hg6 h ASP 95 Cb 1.15 -0.20 -0.17 0.00 1.72 0.00 0.00 39.33 41.83 2hg6 h ASP 95 CO 0.46 0.81 -0.57 -0.76 -2.88 0.00 0.00 179.24 176.29 2hg6 s LEU 96 N -9.55 3.77 0.19 2.28 1.43 -1.26 -5.00 118.68 110.53 2hg6 s LEU 96 Ca -0.13 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 2hg6 s LEU 96 Cb 0.11 -1.96 0.11 0.00 0.03 0.00 0.00 46.19 44.48 2hg6 s LEU 96 CO 0.79 0.15 1.72 1.55 0.23 0.00 0.00 176.35 180.80 2hg6 h PRO 97 N 6.87 1.06 -4.55 1.29 0.13 -1.99 -3.36 132.00 131.46 2hg6 h PRO 97 Ca -0.37 -0.23 -0.69 0.00 -0.87 0.00 0.00 66.00 63.84 2hg6 h PRO 97 Cb 1.17 -0.15 -0.35 0.00 0.13 0.00 0.00 31.00 31.80 2hg6 h PRO 97 CO 0.69 0.92 -0.59 -1.21 -0.23 0.00 0.00 178.00 177.58 2hg6 s GLU 98 N -5.41 2.00 -0.57 0.86 2.02 -1.26 -4.80 118.70 111.53 2hg6 s GLU 98 Ca -0.12 -1.75 -0.26 0.00 0.02 0.00 0.00 54.97 52.86 2hg6 s GLU 98 Cb 0.14 -3.49 0.04 0.00 0.10 0.00 0.00 34.13 30.92 2hg6 s GLU 98 CO 0.83 -1.00 1.04 0.42 0.02 0.00 0.00 175.26 176.57 2hg6 s ILE 99 N 1.13 4.24 -0.18 -1.63 1.01 -1.26 -4.93 121.20 119.58 2hg6 s ILE 99 Ca 0.07 0.46 -0.12 0.00 0.00 0.00 0.00 60.65 61.06 2hg6 s ILE 99 Cb -0.22 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.58 2hg6 s ILE 99 CO -0.04 -1.23 0.21 0.42 0.00 0.00 0.00 174.94 174.30 2hg6 s THR 100 N 4.35 5.36 -0.15 2.92 -4.23 -1.26 -0.80 115.64 121.83 2hg6 s THR 100 Ca 0.34 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.24 2hg6 s THR 100 Cb -0.11 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.20 2hg6 s THR 100 CO 0.21 0.41 -0.16 0.00 -0.54 0.00 0.00 174.62 174.54 2hg6 s ALA 101 N 0.42 2.00 -0.03 3.99 0.00 0.61 -4.97 121.76 123.78 2hg6 s ALA 101 Ca 0.12 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.16 2hg6 s ALA 101 Cb -0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2hg6 s ALA 101 CO 0.01 -0.32 -0.23 1.14 0.00 0.00 0.00 175.76 176.36 2hg6 s GLN 102 N 1.34 2.28 0.05 0.00 -2.07 -1.26 -1.33 119.66 118.66 2hg6 s GLN 102 Ca 0.03 -0.87 0.24 0.00 -1.82 0.00 0.00 55.36 52.94 2hg6 s GLN 102 Cb -0.13 -2.14 0.34 0.00 -1.09 0.00 0.00 33.01 29.98 2hg6 s GLN 102 CO -0.10 0.55 1.29 0.54 -1.32 0.00 0.00 175.29 176.25 2hg6 n ARG 103 N 2.49 0.17 -3.58 9.60 1.74 0.09 -4.87 116.66 122.30 2hg6 n ARG 103 Ca -0.16 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.66 2hg6 n ARG 103 Cb 0.51 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 2hg6 n ARG 103 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2hg6 s GLN 104 N -3.10 3.59 -0.25 5.56 -2.07 -1.26 -5.00 119.66 117.13 2hg6 s GLN 104 Ca 0.08 -0.15 0.10 0.00 -1.82 0.00 0.00 55.36 53.57 2hg6 s GLN 104 Cb 0.15 -2.78 0.70 0.00 -1.09 0.00 0.00 33.01 29.99 2hg6 s GLN 104 CO 0.73 0.37 1.65 1.28 -1.32 0.00 0.00 175.29 178.00 2hg6 n LEU 105 N -0.51 5.46 -0.89 2.60 4.77 -1.26 -5.02 117.00 122.15 2hg6 n LEU 105 Ca -0.03 -2.81 0.11 0.00 -0.03 0.00 0.00 56.01 53.25 2hg6 n LEU 105 Cb 0.53 -0.70 0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2hg6 n LEU 105 CO 0.48 0.67 0.60 0.54 -1.33 0.00 0.00 177.39 178.36