#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 4.52 0.14 6.12 1.04 -1.26 -5.01 113.70 119.25 2hg6 s SER 2 Ca 0.00 1.83 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 2hg6 s SER 2 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2hg6 s SER 2 CO 0.00 -2.03 0.33 -0.63 0.98 0.00 0.00 173.24 171.89 2hg6 s ILE 3 N -2.88 5.26 0.48 -1.02 -1.09 -1.26 -4.98 121.20 115.71 2hg6 s ILE 3 Ca 0.61 -0.31 -0.00 0.00 -2.23 0.00 0.00 60.65 58.72 2hg6 s ILE 3 Cb -0.17 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.13 2hg6 s ILE 3 CO 0.56 -0.02 0.66 0.35 -1.23 0.00 0.00 174.94 175.26 2hg6 n THR 4 N -0.19 0.00 -1.51 2.92 -2.24 -1.26 -5.12 114.28 106.88 2hg6 n THR 4 Ca -0.04 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2hg6 n THR 4 Cb 0.52 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.95 0.00 0.13 3.42 7.64 -1.26 -4.84 113.62 115.76 2hg6 n SER 5 Ca 0.11 -0.96 0.19 0.00 1.01 0.00 0.00 58.87 59.22 2hg6 n SER 5 Cb 0.39 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.27 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 -0.69 0.20 0.00 0.44 2.02 -2.05 0.39 112.91 113.22 2hg6 h THR 6 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2hg6 h THR 6 Cb 0.00 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2hg6 h THR 6 CO 0.00 0.00 0.27 0.44 0.37 0.00 0.00 175.52 176.60 2hg6 h ASP 7 N 0.00 0.00 -0.78 4.18 3.32 -2.00 -2.48 116.42 118.65 2hg6 h ASP 7 Ca 0.17 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.35 2hg6 h ASP 7 Cb 1.28 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.75 2hg6 h ASP 7 CO -0.00 0.00 0.38 -0.29 -1.72 0.00 0.00 179.24 177.61 2hg6 h ILE 8 N 0.00 0.75 0.00 0.35 2.10 -1.24 -0.35 117.51 119.13 2hg6 h ILE 8 Ca 0.00 -0.20 -0.15 0.00 1.08 0.00 0.00 64.86 65.59 2hg6 h ILE 8 Cb 0.54 0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 36.37 2hg6 h ILE 8 CO 0.00 0.11 -0.72 0.00 -1.08 0.00 0.00 178.15 176.46 2hg6 h GLN 10 N 0.00 0.47 0.00 0.00 1.08 -1.24 -2.36 115.11 113.06 2hg6 h GLN 10 Ca -0.01 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 2hg6 h GLN 10 Cb 1.32 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 2hg6 h GLN 10 CO 0.09 0.75 -0.30 0.00 -0.95 0.00 0.00 178.83 178.42 2hg6 h ALA 11 N 1.24 1.38 0.00 3.87 0.00 -1.12 -2.32 119.26 122.31 2hg6 h ALA 11 Ca 0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2hg6 h ALA 11 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2hg6 h ALA 11 CO 0.06 0.37 -0.52 0.00 0.00 0.00 0.00 179.25 179.16 2hg6 h ALA 12 N 1.70 1.11 0.00 0.00 0.00 -1.44 -2.50 119.26 118.14 2hg6 h ALA 12 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2hg6 h ALA 12 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2hg6 h ALA 12 CO 0.04 0.65 0.00 0.22 0.00 0.00 0.00 179.25 180.16 2hg6 h ASP 13 N 0.00 0.00 -0.44 0.00 3.58 -1.27 -3.13 116.42 115.16 2hg6 h ASP 13 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2hg6 h ASP 13 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2hg6 h ASP 13 CO 0.07 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.43 2hg6 n ALA 14 N -2.03 2.43 -1.63 -0.78 0.00 -0.94 -4.82 120.51 112.74 2hg6 n ALA 14 Ca 0.03 -0.81 -0.34 0.00 0.00 0.00 0.00 53.44 52.33 2hg6 n ALA 14 Cb 0.43 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.08 3.54 0.24 0.00 1.43 -1.18 -5.05 118.68 116.58 2hg6 s LEU 15 Ca 0.32 2.03 0.09 0.00 -1.03 0.00 0.00 54.13 55.55 2hg6 s LEU 15 Cb 0.17 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2hg6 s LEU 15 CO 0.22 -1.40 -0.03 -1.59 0.23 0.00 0.00 176.35 173.79 2hg6 s LYS 16 N -3.78 2.25 0.00 1.70 -2.85 -1.26 -4.30 119.74 111.49 2hg6 s LYS 16 Ca 0.68 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 2hg6 s LYS 16 Cb -0.21 -2.17 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 2hg6 s LYS 16 CO 0.35 0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.60 2hg6 n GLY 17 N -0.63 1.58 3.66 0.59 0.00 -1.26 -4.72 105.19 104.40 2hg6 n GLY 17 Ca -0.08 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.53 2.81 -0.08 1.61 0.40 -0.62 -1.24 117.98 118.32 2hg6 s PHE 18 Ca 0.00 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 2hg6 s PHE 18 Cb 0.00 -1.34 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 2hg6 s PHE 18 CO 0.00 0.53 -0.23 0.08 0.70 0.00 0.00 175.22 176.30 2hg6 s VAL 19 N -1.84 1.99 -0.01 -0.44 1.01 0.81 -0.03 120.40 121.89 2hg6 s VAL 19 Ca 0.28 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2hg6 s VAL 19 Cb -0.09 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2hg6 s VAL 19 CO 0.19 0.55 -0.13 -0.83 0.00 0.00 0.00 175.10 174.87 2hg6 s GLY 20 N 0.18 0.64 -0.65 4.51 0.00 0.16 -0.28 107.32 111.88 2hg6 s GLY 20 Ca -0.13 -0.55 -0.27 0.00 0.00 0.00 0.00 44.72 43.76 2hg6 s GLY 20 CO 0.07 -0.44 1.20 -0.12 0.00 0.00 0.00 173.10 173.81 2hg6 s PHE 21 N -0.27 2.48 -0.15 1.90 5.36 -0.01 -0.99 117.98 126.30 2hg6 s PHE 21 Ca 0.04 0.14 -0.16 0.00 -0.96 0.00 0.00 56.93 55.99 2hg6 s PHE 21 Cb -0.05 -4.52 -0.04 0.00 -0.34 0.00 0.00 43.02 38.06 2hg6 s PHE 21 CO -0.00 -1.78 0.40 1.21 -1.46 0.00 0.00 175.22 173.58 2hg6 s ASN 22 N 3.32 6.54 0.00 6.13 3.84 -0.41 -4.61 114.94 129.75 2hg6 s ASN 22 Ca 0.38 0.64 0.27 0.00 0.21 0.00 0.00 52.86 54.35 2hg6 s ASN 22 Cb -0.08 -2.24 0.87 0.00 -0.55 0.00 0.00 41.25 39.24 2hg6 s ASN 22 CO 0.20 0.01 1.65 -2.11 -2.79 0.00 0.00 177.10 174.06 2hg6 n ARG 23 N 3.83 0.33 0.09 0.43 1.85 -1.23 -0.21 116.66 121.74 2hg6 n ARG 23 Ca -0.09 -0.15 -0.04 0.00 -1.00 0.00 0.00 57.85 56.57 2hg6 n ARG 23 Cb 0.52 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.36 2hg6 n ARG 23 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2hg6 h LYS 24 N 0.37 0.00 0.00 2.89 1.79 -1.93 -3.28 116.57 116.41 2hg6 h LYS 24 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hg6 h LYS 24 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2hg6 h LYS 24 CO 0.00 0.83 -1.43 0.25 -1.08 0.00 0.00 179.45 178.02 2hg6 n THR 25 N -3.30 0.00 -2.71 -0.16 -2.24 -1.20 -5.01 114.28 99.65 2hg6 n THR 25 Ca 0.00 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 2hg6 n THR 25 Cb 0.87 0.40 0.02 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.52 -0.06 3.67 3.38 0.00 0.70 -4.99 105.19 109.41 2hg6 n GLY 26 Ca -0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 2hg6 n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hg6 s ARG 27 N -5.23 1.62 -0.52 1.61 1.70 -0.89 -5.00 118.95 112.25 2hg6 s ARG 27 Ca 0.18 -1.18 -0.21 0.00 -0.47 0.00 0.00 55.73 54.06 2hg6 s ARG 27 Cb -0.08 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.86 2hg6 s ARG 27 CO 0.23 -0.70 0.71 -0.47 -1.08 0.00 0.00 175.30 173.99 2hg6 s TYR 28 N -3.98 2.98 0.22 5.89 5.04 -1.26 -1.28 117.35 124.96 2hg6 s TYR 28 Ca 0.19 -0.38 0.11 0.00 -2.44 0.00 0.00 57.07 54.55 2hg6 s TYR 28 Cb -0.02 -3.67 -0.05 0.00 0.35 0.00 0.00 41.96 38.57 2hg6 s TYR 28 CO 0.08 -1.11 -0.15 0.96 -1.34 0.00 0.00 175.55 173.99 2hg6 s ILE 29 N 2.99 2.78 0.02 3.14 -5.25 -0.16 -4.88 121.20 119.84 2hg6 s ILE 29 Ca 0.19 -2.02 -0.17 0.00 -0.99 0.00 0.00 60.65 57.67 2hg6 s ILE 29 Cb -0.17 -2.41 -0.06 0.00 2.95 0.00 0.00 42.46 42.77 2hg6 s ILE 29 CO 0.14 -0.23 0.48 0.68 -1.79 0.00 0.00 174.94 174.22 2hg6 s VAL 30 N -2.01 4.92 -0.14 8.37 -7.23 -1.26 0.40 120.40 123.45 2hg6 s VAL 30 Ca 0.26 1.01 -0.08 0.00 -1.81 0.00 0.00 61.98 61.36 2hg6 s VAL 30 Cb -0.07 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 33.12 2hg6 s VAL 30 CO 0.14 0.54 0.33 -0.13 -0.31 0.00 0.00 175.10 175.68 2hg6 s ARG 31 N -0.92 0.32 0.03 4.82 1.81 0.96 -4.92 118.95 121.05 2hg6 s ARG 31 Ca 0.26 0.63 -0.16 0.00 -1.72 0.00 0.00 55.73 54.74 2hg6 s ARG 31 Cb -0.18 -0.02 -0.34 0.00 -0.45 0.00 0.00 34.95 33.96 2hg6 s ARG 31 CO 0.16 -0.14 1.01 0.35 -0.68 0.00 0.00 175.30 175.99 2hg6 h PHE 32 N 6.86 0.96 -3.07 -0.53 3.57 -1.95 -1.66 116.94 121.12 2hg6 h PHE 32 Ca -0.36 -0.68 -0.69 0.00 3.53 0.00 0.00 57.97 59.77 2hg6 h PHE 32 Cb 1.17 -0.04 -0.18 0.00 2.79 0.00 0.00 35.95 39.69 2hg6 h PHE 32 CO 0.32 1.53 0.12 -1.54 -2.23 0.00 0.00 178.31 176.51 2hg6 s SER 33 N -7.51 6.21 0.30 0.41 1.04 -1.26 -4.62 113.70 108.27 2hg6 s SER 33 Ca -0.10 -1.11 0.25 0.00 0.48 0.00 0.00 55.95 55.48 2hg6 s SER 33 Cb 0.04 -2.31 1.04 0.00 0.10 0.00 0.00 66.02 64.89 2hg6 s SER 33 CO 0.94 -1.03 1.76 1.05 0.98 0.00 0.00 173.24 176.93 2hg6 h GLU 34 N 9.12 0.00 -0.00 4.02 -0.00 -1.98 -2.77 114.58 122.96 2hg6 h GLU 34 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 2hg6 h GLU 34 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 2hg6 h GLU 34 CO 1.04 0.00 0.00 -0.40 -0.00 0.00 0.00 179.01 179.65 2hg6 n ASP 35 N -2.38 0.04 -0.08 3.06 5.75 -1.26 -3.20 116.55 118.48 2hg6 n ASP 35 Ca 0.02 -1.38 0.14 0.00 -0.01 0.00 0.00 54.79 53.56 2hg6 n ASP 35 Cb 0.25 -0.00 0.59 0.00 -1.03 0.00 0.00 41.12 40.93 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2hg6 n SER 36 N -0.78 0.37 -4.89 -1.12 3.41 -1.05 -4.83 113.62 104.73 2hg6 n SER 36 Ca 0.15 -0.38 -0.23 0.00 -0.26 0.00 0.00 58.87 58.15 2hg6 n SER 36 Cb 0.08 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.59 2.28 0.00 7.33 0.08 -1.19 -5.10 117.98 118.78 2hg6 s PHE 37 Ca 0.26 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.69 2hg6 s PHE 37 Cb 0.20 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.56 2hg6 s PHE 37 CO 0.50 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.74 2hg6 n GLY 38 N -1.65 0.94 0.59 4.36 0.00 -1.26 -4.97 105.19 103.20 2hg6 n GLY 38 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 2.19 0.02 1.61 2.81 -1.26 -4.35 117.12 118.14 2hg6 n MET 39 Ca 0.00 -1.80 0.12 0.00 -1.81 0.00 0.00 57.70 54.21 2hg6 n MET 39 Cb 0.00 -1.25 0.15 0.00 -0.71 0.00 0.00 33.22 31.40 2hg6 n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2hg6 n ASP 40 N 0.56 0.61 -3.70 7.83 5.75 -1.26 -4.81 116.55 121.53 2hg6 n ASP 40 Ca 0.10 -0.18 -0.19 0.00 -0.01 0.00 0.00 54.79 54.52 2hg6 n ASP 40 Cb 0.38 0.41 -0.17 0.00 -1.03 0.00 0.00 41.12 40.71 2hg6 n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2hg6 s VAL 41 N -3.10 -0.10 0.54 2.12 1.01 -1.26 -3.56 120.40 116.04 2hg6 s VAL 41 Ca 0.08 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 2hg6 s VAL 41 Cb 0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.34 2hg6 s VAL 41 CO 0.74 0.16 1.12 0.00 0.00 0.00 0.00 175.10 177.12 2hg6 s ALA 42 N 1.89 2.71 0.21 5.51 0.00 -1.26 -4.70 121.76 126.12 2hg6 s ALA 42 Ca 0.01 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 2hg6 s ALA 42 Cb -0.12 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 19.80 2hg6 s ALA 42 CO -0.03 -0.73 1.70 0.22 0.00 0.00 0.00 175.76 176.92 2hg6 h ASP 43 N 1.24 0.98 0.60 0.00 3.58 -1.94 -1.58 116.42 119.30 2hg6 h ASP 43 Ca -0.50 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 56.70 2hg6 h ASP 43 Cb 1.26 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2hg6 h ASP 43 CO 0.57 1.01 0.00 0.47 -2.88 0.00 0.00 179.24 178.41 2hg6 n ASP 44 N -4.20 0.10 -0.70 2.28 9.92 -1.26 -1.46 116.55 121.22 2hg6 n ASP 44 Ca 0.03 0.52 0.11 0.00 -0.53 0.00 0.00 54.79 54.93 2hg6 n ASP 44 Cb 0.31 -0.55 0.34 0.00 -0.64 0.00 0.00 41.12 40.58 2hg6 n ASP 44 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2hg6 n SER 45 N -1.61 2.13 -4.26 -2.24 7.64 -0.60 -4.75 113.62 109.93 2hg6 n SER 45 Ca 0.04 -1.77 -0.35 0.00 1.01 0.00 0.00 58.87 57.80 2hg6 n SER 45 Cb 0.20 -0.12 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 2hg6 n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2hg6 s ILE 46 N -1.76 3.08 -0.03 0.44 1.01 -0.54 -0.83 121.20 122.57 2hg6 s ILE 46 Ca 0.34 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2hg6 s ILE 46 Cb 0.19 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 40.24 2hg6 s ILE 46 CO 0.28 0.36 0.06 -0.89 0.00 0.00 0.00 174.94 174.75 2hg6 s THR 47 N 1.41 -0.04 0.28 2.92 2.01 0.61 -4.94 115.64 117.90 2hg6 s THR 47 Ca 0.04 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2hg6 s THR 47 Cb -0.15 -0.11 -0.13 0.00 0.01 0.00 0.00 72.50 72.12 2hg6 s THR 47 CO -0.05 0.06 1.41 -0.81 -0.69 0.00 0.00 174.62 174.55 2hg6 n PRO 48 N 3.87 2.20 0.23 4.92 -0.04 -1.26 -0.13 135.00 144.79 2hg6 n PRO 48 Ca -0.23 0.78 0.08 0.00 -0.04 0.00 0.00 63.50 64.08 2hg6 n PRO 48 Cb 0.53 -2.44 0.56 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 2.97 0.95 0.00 0.52 1.03 -1.46 0.32 112.91 117.25 2hg6 h THR 49 Ca -0.46 -0.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.27 2hg6 h THR 49 Cb 1.27 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 2hg6 h THR 49 CO 0.73 0.18 0.00 -1.54 -0.01 0.00 0.00 175.52 174.88 2hg6 n SER 50 N -4.06 0.50 -0.08 0.00 3.41 -1.26 -1.93 113.62 110.19 2hg6 n SER 50 Ca -0.02 0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 59.11 2hg6 n SER 50 Cb 0.26 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.36 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 -2.04 1.24 0.24 4.33 2.13 -0.25 -4.33 120.64 121.97 2hg6 n GLU 51 Ca 0.03 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.94 2hg6 n GLU 51 Cb 0.24 -1.43 0.62 0.00 0.27 0.00 0.00 31.44 31.15 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 -0.58 0.11 116.94 124.35 2hg6 h PHE 52 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2hg6 h PHE 52 Cb 2.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.74 2hg6 h PHE 52 CO 0.00 0.15 0.00 1.33 -2.23 0.00 0.00 178.31 177.56 2hg6 n VAL 53 N -4.02 0.60 -4.26 1.41 0.24 -0.81 -4.67 118.33 106.81 2hg6 n VAL 53 Ca -0.02 0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 62.08 2hg6 n VAL 53 Cb 0.23 -0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.97 3.24 -0.58 6.34 0.52 0.02 0.10 118.94 125.61 2hg6 s TRP 54 Ca 0.10 0.24 -0.12 0.00 0.02 0.00 0.00 56.10 56.35 2hg6 s TRP 54 Cb 0.13 -1.80 0.15 0.00 -1.15 0.00 0.00 33.47 30.80 2hg6 s TRP 54 CO 0.36 0.52 0.49 -1.12 0.02 0.00 0.00 176.95 177.23 2hg6 s SER 55 N -1.03 6.04 -0.14 2.95 0.01 0.11 -4.75 113.70 116.89 2hg6 s SER 55 Ca 0.15 -2.13 -0.29 0.00 1.31 0.00 0.00 55.95 54.98 2hg6 s SER 55 Cb -0.12 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 2hg6 s SER 55 CO 0.04 -0.69 1.84 -0.55 0.41 0.00 0.00 173.24 174.29 2hg6 s SER 56 N 2.66 6.23 -0.03 2.44 0.15 -1.26 -2.73 113.70 121.16 2hg6 s SER 56 Ca 0.09 2.01 0.05 0.00 0.70 0.00 0.00 55.95 58.79 2hg6 s SER 56 Cb -0.23 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.47 2hg6 s SER 56 CO -0.02 -1.32 0.08 1.33 1.20 0.00 0.00 173.24 174.51 2hg6 n VAL 57 N 6.38 0.16 -3.97 4.45 0.24 -1.18 -5.02 118.33 119.39 2hg6 n VAL 57 Ca 0.21 -0.17 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 2hg6 n VAL 57 Cb 0.44 -0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.29 1.96 0.24 7.34 3.52 -0.84 -5.00 118.95 123.87 2hg6 s ARG 58 Ca -0.02 -1.54 -0.02 0.00 -0.13 0.00 0.00 55.73 54.02 2hg6 s ARG 58 Cb 0.03 0.52 0.28 0.00 -1.56 0.00 0.00 34.95 34.22 2hg6 s ARG 58 CO 0.23 -0.85 1.69 0.38 -0.81 0.00 0.00 175.30 175.94 2hg6 h ASP 59 N 2.09 0.72 0.00 -2.12 2.03 -2.03 -3.26 116.42 113.86 2hg6 h ASP 59 Ca -0.29 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2hg6 h ASP 59 Cb 1.25 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2hg6 h ASP 59 CO 0.38 0.88 -0.76 -0.67 -1.03 0.00 0.00 179.24 178.04 2hg6 n ASP 60 N -4.15 2.39 -4.46 4.15 2.03 -1.26 -4.96 116.55 110.28 2hg6 n ASP 60 Ca 0.01 -0.26 -0.43 0.00 0.52 0.00 0.00 54.79 54.63 2hg6 n ASP 60 Cb 0.38 1.11 -0.08 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 -1.90 5.10 -0.08 5.18 1.01 -1.23 -3.93 120.40 124.54 2hg6 s VAL 61 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2hg6 s VAL 61 Cb 0.03 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2hg6 s VAL 61 CO 0.17 -0.48 -0.22 -0.04 0.00 0.00 0.00 175.10 174.53 2hg6 s MET 62 N 2.09 2.79 -0.03 2.72 -1.94 -0.34 -1.99 119.30 122.61 2hg6 s MET 62 Ca 0.11 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2hg6 s MET 62 Cb -0.18 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.34 2hg6 s MET 62 CO 0.12 0.33 -0.01 -0.98 -0.01 0.00 0.00 175.02 174.47 2hg6 s ARG 63 N -0.01 2.84 -0.19 2.03 1.70 -1.10 -0.20 118.95 124.01 2hg6 s ARG 63 Ca -0.07 -0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 2hg6 s ARG 63 Cb -0.15 -2.70 -0.02 0.00 -0.57 0.00 0.00 34.95 31.51 2hg6 s ARG 63 CO 0.05 0.65 1.49 -1.17 -1.08 0.00 0.00 175.30 175.24 2hg6 s LEU 64 N -1.29 4.03 -0.93 -1.89 1.98 0.81 0.09 118.68 121.48 2hg6 s LEU 64 Ca 0.17 1.67 -0.23 0.00 -2.89 0.00 0.00 54.13 52.86 2hg6 s LEU 64 Cb -0.11 -3.53 0.06 0.00 0.66 0.00 0.00 46.19 43.26 2hg6 s LEU 64 CO 0.07 -1.06 1.33 -0.83 -1.89 0.00 0.00 176.35 173.97 2hg6 s GLY 65 N 3.32 1.33 0.34 7.98 0.00 0.11 -4.62 107.32 115.79 2hg6 s GLY 65 Ca 0.65 -2.18 0.23 0.00 0.00 0.00 0.00 44.72 43.43 2hg6 s GLY 65 CO 0.25 2.51 1.70 0.07 0.00 0.00 0.00 173.10 177.63 2hg6 h ARG 66 N 9.64 0.00 0.00 2.90 0.11 -1.92 -0.48 114.38 124.63 2hg6 h ARG 66 Ca 0.08 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.13 2hg6 h ARG 66 Cb 1.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.10 2hg6 h ARG 66 CO 1.33 0.00 -0.13 1.05 0.10 0.00 0.00 179.97 182.32 2hg6 h GLU 67 N 0.00 0.00 -0.48 0.08 9.09 -1.94 -2.94 114.58 118.39 2hg6 h GLU 67 Ca 0.00 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.49 2hg6 h GLU 67 Cb 0.02 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.09 2hg6 h GLU 67 CO 0.00 0.13 0.33 -0.56 0.05 0.00 0.00 179.01 178.95 2hg6 h GLN 68 N 0.00 0.31 -0.76 1.06 -0.00 -1.39 -2.45 115.11 111.88 2hg6 h GLN 68 Ca -0.00 -0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.67 2hg6 h GLN 68 Cb 0.44 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.48 27.80 2hg6 h GLN 68 CO 0.02 0.21 0.48 -0.07 -0.00 0.00 0.00 178.83 179.46 2hg6 h LEU 69 N 0.32 0.78 -0.83 0.06 3.38 -1.73 -1.50 115.31 115.80 2hg6 h LEU 69 Ca 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2hg6 h LEU 69 Cb 0.44 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2hg6 h LEU 69 CO -0.05 0.53 0.14 1.56 0.09 0.00 0.00 178.44 180.71 2hg6 h GLN 70 N 0.92 1.01 -0.05 1.13 1.08 -1.64 -0.64 115.11 116.93 2hg6 h GLN 70 Ca 0.31 -0.24 -0.19 0.00 -1.45 0.00 0.00 58.65 57.09 2hg6 h GLN 70 Cb 0.05 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2hg6 h GLN 70 CO -0.13 0.91 -0.78 0.82 -0.95 0.00 0.00 178.83 178.70 2hg6 h ILE 71 N 0.96 1.41 -0.05 2.54 2.04 -1.46 -3.09 117.51 119.87 2hg6 h ILE 71 Ca 0.20 -2.27 -0.25 0.00 1.00 0.00 0.00 64.86 63.54 2hg6 h ILE 71 Cb 0.37 2.22 0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2hg6 h ILE 71 CO 0.00 0.68 -0.94 -0.07 0.00 0.00 0.00 178.15 177.82 2hg6 h LEU 72 N 0.22 0.87 -1.51 1.44 3.38 -1.04 -3.25 115.31 115.41 2hg6 h LEU 72 Ca -0.04 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 2hg6 h LEU 72 Cb 1.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2hg6 h LEU 72 CO 0.13 1.45 -0.21 0.17 0.09 0.00 0.00 178.44 180.07 2hg6 h LEU 73 N 0.42 0.00 -0.00 1.67 8.10 -1.14 -1.49 115.31 122.86 2hg6 h LEU 73 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.89 2hg6 h LEU 73 Cb 1.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.80 2hg6 h LEU 73 CO 0.18 0.21 -0.04 -0.62 -4.11 0.00 0.00 178.44 174.06 2hg6 n GLU 74 N -3.63 0.06 0.06 0.17 1.02 -1.17 -3.25 120.64 113.90 2hg6 n GLU 74 Ca -0.01 -0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 2hg6 n GLU 74 Cb 0.34 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.14 2hg6 n GLU 74 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2hg6 h GLN 75 N 0.01 0.03 0.00 3.49 4.20 -1.32 -3.47 115.11 118.05 2hg6 h GLN 75 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2hg6 h GLN 75 Cb 0.48 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2hg6 h GLN 75 CO 0.00 0.99 0.00 0.09 -0.67 0.00 0.00 178.83 179.24 2hg6 n ASN 76 N -3.35 0.00 -3.55 1.46 5.03 -1.20 -4.84 115.26 108.81 2hg6 n ASN 76 Ca -0.02 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.02 2hg6 n ASN 76 Cb 0.96 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.71 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2hg6 n ILE 77 N 0.00 4.61 -0.09 2.41 -6.64 -1.26 -4.65 119.36 113.74 2hg6 n ILE 77 Ca 0.00 -3.76 0.04 0.00 -1.77 0.00 0.00 62.75 57.26 2hg6 n ILE 77 Cb 0.00 -2.34 0.37 0.00 -1.44 0.00 0.00 39.64 36.24 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 5.11 0.59 0.14 7.28 -1.24 -1.91 0.29 115.58 125.84 2hg6 h ASN 78 Ca 0.66 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.64 2hg6 h ASN 78 Cb 0.41 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.31 2hg6 h ASN 78 CO 1.64 0.42 -0.09 -0.08 -1.29 0.00 0.00 177.43 178.02 2hg6 h GLU 79 N 0.70 0.00 0.13 6.67 4.57 -1.99 0.46 114.58 125.12 2hg6 h GLU 79 Ca 0.21 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.08 2hg6 h GLU 79 Cb 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2hg6 h GLU 79 CO -0.05 0.09 -1.64 0.00 -1.18 0.00 0.00 179.01 176.23 2hg6 h ARG 80 N 0.00 0.28 0.00 1.92 3.08 -1.35 -3.39 114.38 114.92 2hg6 h ARG 80 Ca -0.00 -0.48 -0.29 0.00 0.07 0.00 0.00 59.98 59.28 2hg6 h ARG 80 Cb 0.19 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2hg6 h ARG 80 CO 0.01 1.23 -1.98 -0.11 -1.07 0.00 0.00 179.97 178.05 2hg6 n LEU 81 N -3.75 0.44 -2.47 3.04 7.94 -0.71 -5.05 117.00 116.44 2hg6 n LEU 81 Ca -0.27 0.20 -0.02 0.00 -1.11 0.00 0.00 56.01 54.81 2hg6 n LEU 81 Cb 0.97 0.29 0.00 0.00 0.53 0.00 0.00 43.42 45.22 2hg6 n LEU 81 CO 0.43 0.38 -0.24 0.59 -1.11 0.00 0.00 177.39 177.44 2hg6 n ASN 82 N -2.85 -6.61 -4.74 1.96 4.13 0.16 -4.41 115.26 102.91 2hg6 n ASN 82 Ca -0.22 0.87 -0.40 0.00 1.68 0.00 0.00 54.58 56.51 2hg6 n ASN 82 Cb 1.04 -4.35 -0.05 0.00 -1.54 0.00 0.00 39.78 34.89 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2hg6 s ILE 83 N -1.59 4.79 0.63 2.41 1.09 -1.26 -4.65 121.20 122.63 2hg6 s ILE 83 Ca 0.07 1.66 -0.18 0.00 -1.10 0.00 0.00 60.65 61.10 2hg6 s ILE 83 Cb -0.02 -4.13 -0.03 0.00 -1.06 0.00 0.00 42.46 37.22 2hg6 s ILE 83 CO 0.60 0.32 1.05 0.61 -0.10 0.00 0.00 174.94 177.42 2hg6 n GLY 84 N 2.56 -0.09 0.09 6.18 0.00 -1.26 -4.81 105.19 107.86 2hg6 n GLY 84 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2hg6 n GLY 84 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hg6 h GLU 85 N 0.41 0.19 0.00 1.61 4.81 -1.95 -0.90 114.58 118.76 2hg6 h GLU 85 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2hg6 h GLU 85 Cb 1.36 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2hg6 h GLU 85 CO 0.51 0.32 0.00 -1.35 -0.73 0.00 0.00 179.01 177.76 2hg6 h PRO 86 N 0.02 0.00 0.10 0.92 0.11 -1.92 -1.34 132.00 129.89 2hg6 h PRO 86 Ca 0.04 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.89 2hg6 h PRO 86 Cb 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 2hg6 h PRO 86 CO -0.00 0.00 -1.20 -0.07 -0.21 0.00 0.00 178.00 176.52 2hg6 h LEU 87 N 0.00 0.34 -0.81 2.35 -0.00 -1.58 -2.33 115.31 113.28 2hg6 h LEU 87 Ca 0.00 -0.36 -0.06 0.00 -0.00 0.00 0.00 57.88 57.46 2hg6 h LEU 87 Cb 0.15 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 2hg6 h LEU 87 CO 0.00 1.28 0.22 -0.07 -0.00 0.00 0.00 178.44 179.88 2hg6 h LEU 88 N 0.06 1.04 -0.25 1.67 3.38 -0.03 -0.85 115.31 120.33 2hg6 h LEU 88 Ca -0.11 -0.19 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 2hg6 h LEU 88 Cb 1.93 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2hg6 h LEU 88 CO 0.19 0.97 -0.90 -0.37 0.09 0.00 0.00 178.44 178.42 2hg6 h VAL 89 N 1.07 1.46 -0.53 1.22 -1.51 -1.55 -2.97 116.25 113.44 2hg6 h VAL 89 Ca 0.23 -2.56 -0.05 0.00 -1.23 0.00 0.00 66.70 63.09 2hg6 h VAL 89 Cb 0.30 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.88 2hg6 h VAL 89 CO -0.01 0.75 0.11 0.22 -1.23 0.00 0.00 177.57 177.42 2hg6 h TYR 90 N 0.15 0.85 -0.20 5.19 3.20 -1.14 -1.29 116.97 123.72 2hg6 h TYR 90 Ca -0.06 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 2hg6 h TYR 90 Cb 1.53 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 2hg6 h TYR 90 CO 0.04 0.72 -0.12 1.25 -1.64 0.00 0.00 178.16 178.41 2hg6 h LEU 91 N 0.79 0.31 0.00 2.82 6.46 -1.10 -3.15 115.31 121.43 2hg6 h LEU 91 Ca 0.17 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2hg6 h LEU 91 Cb 0.31 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2hg6 h LEU 91 CO 0.00 0.46 -0.00 0.03 -0.62 0.00 0.00 178.44 178.31 2hg6 h ARG 92 N 0.31 -0.00 -2.58 1.25 2.47 -1.20 -3.46 114.38 111.17 2hg6 h ARG 92 Ca 0.06 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.68 2hg6 h ARG 92 Cb 0.40 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 28.47 2hg6 h ARG 92 CO 0.02 0.72 -0.24 -0.98 0.56 0.00 0.00 179.97 180.05 2hg6 s ARG 93 N -3.31 0.45 -0.64 0.04 1.70 -0.56 -5.11 118.95 111.52 2hg6 s ARG 93 Ca -0.17 0.79 -0.24 0.00 -0.47 0.00 0.00 55.73 55.64 2hg6 s ARG 93 Cb -0.01 0.06 0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2hg6 s ARG 93 CO 0.68 -0.13 1.01 -0.65 -1.08 0.00 0.00 175.30 175.13 2hg6 s GLN 94 N 1.14 3.19 0.20 3.89 -0.21 -1.24 -4.29 119.66 122.34 2hg6 s GLN 94 Ca -0.07 -0.56 0.04 0.00 0.02 0.00 0.00 55.36 54.79 2hg6 s GLN 94 Cb -0.07 -4.17 0.11 0.00 1.00 0.00 0.00 33.01 29.88 2hg6 s GLN 94 CO -0.10 -1.78 1.46 0.22 -2.12 0.00 0.00 175.29 172.97 2hg6 h ASP 95 N 9.57 0.21 -3.56 5.90 3.58 -1.92 -3.40 116.42 126.80 2hg6 h ASP 95 Ca -0.28 -0.15 -0.67 0.00 0.42 0.00 0.00 57.03 56.35 2hg6 h ASP 95 Cb 1.07 -0.06 -0.32 0.00 1.72 0.00 0.00 39.33 41.73 2hg6 h ASP 95 CO 1.17 0.89 -0.74 -0.76 -2.88 0.00 0.00 179.24 176.93 2hg6 s LEU 96 N -7.56 3.32 0.11 2.28 1.02 -1.26 -5.03 118.68 111.55 2hg6 s LEU 96 Ca -0.03 -0.95 -0.32 0.00 0.02 0.00 0.00 54.13 52.85 2hg6 s LEU 96 Cb 0.11 -1.67 -0.12 0.00 0.02 0.00 0.00 46.19 44.53 2hg6 s LEU 96 CO 0.81 -0.15 1.59 -0.65 0.02 0.00 0.00 176.35 177.96 2hg6 h PRO 97 N 8.01 -0.70 -3.44 1.29 0.11 -2.02 -3.38 132.00 131.86 2hg6 h PRO 97 Ca -0.30 0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.28 2hg6 h PRO 97 Cb 1.10 0.16 -0.40 0.00 0.11 0.00 0.00 31.00 31.97 2hg6 h PRO 97 CO 0.56 -0.47 -0.76 -1.21 -0.21 0.00 0.00 178.00 175.92 2hg6 s GLU 98 N -5.91 0.64 -0.34 1.05 2.02 -1.26 -4.99 118.70 109.90 2hg6 s GLU 98 Ca -0.17 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 2hg6 s GLU 98 Cb 0.07 -1.87 0.02 0.00 0.10 0.00 0.00 34.13 32.44 2hg6 s GLU 98 CO 0.63 -0.96 1.07 0.42 0.02 0.00 0.00 175.26 176.43 2hg6 s ILE 99 N 1.71 4.49 -0.12 -1.63 1.01 -1.26 -4.96 121.20 120.43 2hg6 s ILE 99 Ca 0.09 1.63 -0.02 0.00 0.00 0.00 0.00 60.65 62.35 2hg6 s ILE 99 Cb -0.17 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 37.85 2hg6 s ILE 99 CO -0.25 -0.54 -0.06 0.42 0.00 0.00 0.00 174.94 174.51 2hg6 s THR 100 N 3.71 3.76 -0.02 2.92 -4.23 -1.26 -0.14 115.64 120.38 2hg6 s THR 100 Ca 0.45 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 2hg6 s THR 100 Cb -0.12 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 2hg6 s THR 100 CO 0.17 0.53 -0.23 0.00 -0.54 0.00 0.00 174.62 174.55 2hg6 s ALA 101 N -0.02 1.95 -0.03 3.99 0.00 0.72 -5.01 121.76 123.36 2hg6 s ALA 101 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 2hg6 s ALA 101 Cb -0.13 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.51 2hg6 s ALA 101 CO 0.03 0.46 0.45 1.14 0.00 0.00 0.00 175.76 177.84 2hg6 s GLN 102 N -0.48 0.81 -0.02 0.00 -2.07 -1.26 -1.19 119.66 115.45 2hg6 s GLN 102 Ca 0.07 0.01 0.12 0.00 -1.82 0.00 0.00 55.36 53.74 2hg6 s GLN 102 Cb -0.10 0.37 -0.18 0.00 -1.09 0.00 0.00 33.01 32.01 2hg6 s GLN 102 CO -0.00 -0.23 0.26 0.54 -1.32 0.00 0.00 175.29 174.54 2hg6 n ARG 103 N 1.21 0.39 -1.12 9.60 5.12 -1.25 -5.07 116.66 125.54 2hg6 n ARG 103 Ca -0.20 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.61 2hg6 n ARG 103 Cb 0.56 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 2hg6 n ARG 103 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hg6 n GLN 104 N -1.91 -3.02 -0.08 5.56 10.64 -1.26 -4.91 117.38 122.39 2hg6 n GLN 104 Ca -0.02 2.31 0.04 0.00 -1.83 0.00 0.00 57.00 57.50 2hg6 n GLN 104 Cb 0.31 -2.79 0.06 0.00 -0.86 0.00 0.00 30.24 26.96 2hg6 n GLN 104 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2hg6 n LEU 105 N -1.82 1.72 -0.41 2.61 7.94 -1.26 -5.15 117.00 120.62 2hg6 n LEU 105 Ca 0.00 -2.13 0.14 0.00 -1.11 0.00 0.00 56.01 52.91 2hg6 n LEU 105 Cb 0.22 -0.18 0.59 0.00 0.53 0.00 0.00 43.42 44.58 2hg6 n LEU 105 CO 0.00 0.51 0.90 -1.14 -1.11 0.00 0.00 177.39 176.55