#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 4.97 0.59 7.83 0.01 -1.26 -5.10 113.70 120.73 2hg6 s SER 2 Ca 0.00 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.21 2hg6 s SER 2 Cb 0.00 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 2hg6 s SER 2 CO 0.00 -1.21 0.97 -0.63 0.41 0.00 0.00 173.24 172.78 2hg6 s ILE 3 N -2.68 4.76 0.40 1.44 -1.09 -1.26 -5.00 121.20 117.77 2hg6 s ILE 3 Ca 0.52 0.72 -0.00 0.00 -2.23 0.00 0.00 60.65 59.66 2hg6 s ILE 3 Cb -0.05 -3.87 0.08 0.00 -1.58 0.00 0.00 42.46 37.05 2hg6 s ILE 3 CO 0.32 -1.07 0.55 0.35 -1.23 0.00 0.00 174.94 173.86 2hg6 n THR 4 N -2.61 0.00 -0.77 2.92 -2.24 -1.26 -5.11 114.28 105.20 2hg6 n THR 4 Ca 0.05 -0.86 -0.01 0.00 -2.27 0.00 0.00 64.05 60.96 2hg6 n THR 4 Cb 0.54 -1.11 0.01 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.51 0.21 3.42 7.64 -1.26 -4.79 113.62 115.39 2hg6 n SER 5 Ca 0.09 -0.77 0.17 0.00 1.01 0.00 0.00 58.87 59.37 2hg6 n SER 5 Cb 0.32 -0.03 0.70 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 -1.27 0.13 -0.05 0.44 2.02 -2.04 -0.42 112.91 111.72 2hg6 h THR 6 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2hg6 h THR 6 Cb 0.03 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2hg6 h THR 6 CO 0.01 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 -0.42 4.18 5.19 -1.99 -1.73 116.42 121.66 2hg6 h ASP 7 Ca 0.10 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 2hg6 h ASP 7 Cb 1.07 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 2hg6 h ASP 7 CO -0.00 0.00 0.10 -0.29 -3.12 0.00 0.00 179.24 175.93 2hg6 h ILE 8 N 0.00 0.81 0.00 0.35 2.10 -1.38 0.29 117.51 119.68 2hg6 h ILE 8 Ca 0.02 -0.08 -0.16 0.00 1.08 0.00 0.00 64.86 65.72 2hg6 h ILE 8 Cb 0.85 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 37.11 2hg6 h ILE 8 CO -0.00 0.04 -0.77 0.00 -1.08 0.00 0.00 178.15 176.34 2hg6 h GLN 10 N 0.00 1.07 -0.40 0.00 1.08 -1.27 -2.18 115.11 113.41 2hg6 h GLN 10 Ca -0.01 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 56.95 2hg6 h GLN 10 Cb 1.40 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 2hg6 h GLN 10 CO 0.10 0.88 0.06 0.00 -0.95 0.00 0.00 178.83 178.92 2hg6 h ALA 11 N 1.14 1.35 -0.03 3.87 0.00 -0.45 -2.12 119.26 123.02 2hg6 h ALA 11 Ca 0.24 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2hg6 h ALA 11 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hg6 h ALA 11 CO -0.02 0.45 -0.33 0.00 0.00 0.00 0.00 179.25 179.35 2hg6 h ALA 12 N 1.48 1.40 0.00 0.00 0.00 -1.37 -2.12 119.26 118.64 2hg6 h ALA 12 Ca 0.13 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2hg6 h ALA 12 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2hg6 h ALA 12 CO 0.00 0.45 -0.61 0.22 0.00 0.00 0.00 179.25 179.31 2hg6 h ASP 13 N 0.05 0.00 -0.18 0.00 3.58 -0.91 -3.15 116.42 115.81 2hg6 h ASP 13 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hg6 h ASP 13 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2hg6 h ASP 13 CO 0.05 0.61 0.00 0.00 -2.88 0.00 0.00 179.24 177.01 2hg6 n ALA 14 N -2.34 2.51 -2.28 -0.78 0.00 -0.81 -4.81 120.51 112.00 2hg6 n ALA 14 Ca -0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 2hg6 n ALA 14 Cb 0.67 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.42 4.35 0.03 0.00 1.43 -1.11 -5.02 118.68 116.95 2hg6 s LEU 15 Ca 0.29 2.16 0.06 0.00 -1.03 0.00 0.00 54.13 55.60 2hg6 s LEU 15 Cb 0.15 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2hg6 s LEU 15 CO 0.22 -0.60 -0.13 -1.59 0.23 0.00 0.00 176.35 174.47 2hg6 s LYS 16 N 1.42 2.24 0.00 1.70 -2.85 -1.26 -3.35 119.74 117.64 2hg6 s LYS 16 Ca 0.62 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 2hg6 s LYS 16 Cb -0.33 -2.31 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 2hg6 s LYS 16 CO 0.29 0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.71 2hg6 n GLY 17 N 1.48 4.28 3.46 0.59 0.00 -1.26 -4.50 105.19 109.23 2hg6 n GLY 17 Ca -0.16 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.91 2.91 -0.07 1.61 0.08 -0.46 -0.20 117.98 119.95 2hg6 s PHE 18 Ca 0.00 -0.38 -0.00 0.00 0.12 0.00 0.00 56.93 56.66 2hg6 s PHE 18 Cb 0.00 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2hg6 s PHE 18 CO 0.00 -0.04 -0.04 0.08 -0.10 0.00 0.00 175.22 175.12 2hg6 s VAL 19 N 0.15 3.99 0.32 -0.44 1.01 0.67 0.08 120.40 126.18 2hg6 s VAL 19 Ca -0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 2hg6 s VAL 19 Cb -0.14 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2hg6 s VAL 19 CO 0.04 0.58 0.50 -0.83 0.00 0.00 0.00 175.10 175.40 2hg6 s GLY 20 N -0.90 1.13 -0.28 4.51 0.00 -0.32 -0.96 107.32 110.50 2hg6 s GLY 20 Ca 0.13 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 2hg6 s GLY 20 CO 0.02 -0.84 0.01 -0.12 0.00 0.00 0.00 173.10 172.18 2hg6 s PHE 21 N -3.22 3.12 -0.51 1.90 5.36 -1.26 -0.18 117.98 123.19 2hg6 s PHE 21 Ca 0.27 -1.32 -0.23 0.00 -0.96 0.00 0.00 56.93 54.68 2hg6 s PHE 21 Cb -0.01 -2.15 0.04 0.00 -0.34 0.00 0.00 43.02 40.56 2hg6 s PHE 21 CO 0.16 -0.67 0.86 1.21 -1.46 0.00 0.00 175.22 175.32 2hg6 s ASN 22 N 1.40 6.35 0.15 6.13 3.84 0.01 -4.66 114.94 128.15 2hg6 s ASN 22 Ca 0.01 -0.33 0.26 0.00 0.21 0.00 0.00 52.86 53.00 2hg6 s ASN 22 Cb -0.17 -2.40 0.94 0.00 -0.55 0.00 0.00 41.25 39.06 2hg6 s ASN 22 CO -0.01 -1.09 1.79 -2.11 -2.79 0.00 0.00 177.10 172.89 2hg6 n ARG 23 N 7.08 0.16 -0.05 0.43 1.85 -1.26 0.09 116.66 124.95 2hg6 n ARG 23 Ca 0.01 0.19 -0.13 0.00 -1.00 0.00 0.00 57.85 56.92 2hg6 n ARG 23 Cb 0.47 -1.71 -0.07 0.00 -1.05 0.00 0.00 32.46 30.11 2hg6 n ARG 23 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2hg6 h LYS 24 N 0.00 0.33 0.00 2.89 3.64 -1.95 -3.24 116.57 118.25 2hg6 h LYS 24 Ca 0.00 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 2hg6 h LYS 24 Cb 0.59 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2hg6 h LYS 24 CO 0.00 0.68 -1.21 1.79 -2.27 0.00 0.00 179.45 178.44 2hg6 h THR 25 N -0.02 0.54 -0.16 1.00 1.35 -1.97 -3.48 112.91 110.18 2hg6 h THR 25 Ca 0.03 -1.98 -0.02 0.00 -0.55 0.00 0.00 66.41 63.88 2hg6 h THR 25 Cb 0.60 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2hg6 h THR 25 CO 0.03 0.31 -0.03 0.61 -0.25 0.00 0.00 175.52 176.19 2hg6 n GLY 26 N 1.35 0.33 3.27 5.82 0.00 0.11 -5.05 105.19 111.02 2hg6 n GLY 26 Ca -0.07 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 1.13 0.28 1.61 0.52 -0.90 -4.97 118.95 112.62 2hg6 s ARG 27 Ca 0.00 -1.48 -0.28 0.00 -0.52 0.00 0.00 55.73 53.45 2hg6 s ARG 27 Cb 0.00 -0.76 -0.09 0.00 0.52 0.00 0.00 34.95 34.62 2hg6 s ARG 27 CO 0.00 0.11 0.96 0.71 0.02 0.00 0.00 175.30 177.10 2hg6 s TYR 28 N -3.19 3.81 0.15 -0.53 1.51 -1.26 -0.81 117.35 117.03 2hg6 s TYR 28 Ca 0.18 1.84 0.06 0.00 -1.01 0.00 0.00 57.07 58.14 2hg6 s TYR 28 Cb 0.01 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 2hg6 s TYR 28 CO 0.02 0.23 -0.14 0.96 -1.11 0.00 0.00 175.55 175.51 2hg6 s ILE 29 N -1.35 1.41 -0.23 2.71 -4.36 0.75 -4.89 121.20 115.23 2hg6 s ILE 29 Ca 0.45 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 2hg6 s ILE 29 Cb -0.24 -1.71 0.03 0.00 1.25 0.00 0.00 42.46 41.80 2hg6 s ILE 29 CO 0.30 -0.51 -0.11 -0.69 0.24 0.00 0.00 174.94 174.16 2hg6 s VAL 30 N -2.53 2.43 0.07 8.37 1.01 -1.26 -1.17 120.40 127.33 2hg6 s VAL 30 Ca 0.13 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 61.01 2hg6 s VAL 30 Cb -0.03 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2hg6 s VAL 30 CO 0.03 0.22 -0.22 -0.60 0.00 0.00 0.00 175.10 174.53 2hg6 s ARG 31 N 1.25 1.36 0.00 2.72 6.06 0.11 -4.97 118.95 125.48 2hg6 s ARG 31 Ca -0.01 -1.08 0.09 0.00 -2.50 0.00 0.00 55.73 52.22 2hg6 s ARG 31 Cb -0.17 -1.58 0.24 0.00 0.06 0.00 0.00 34.95 33.51 2hg6 s ARG 31 CO -0.07 0.39 1.20 1.19 -2.50 0.00 0.00 175.30 175.51 2hg6 n PHE 32 N 1.49 0.37 -4.01 5.12 3.72 -1.26 -1.35 117.46 121.54 2hg6 n PHE 32 Ca -0.18 -0.50 -0.30 0.00 -0.05 0.00 0.00 57.45 56.42 2hg6 n PHE 32 Cb 0.53 -0.03 -0.16 0.00 -0.94 0.00 0.00 39.48 38.88 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 -1.00 2.85 0.52 4.37 0.01 -1.26 -4.97 113.70 114.21 2hg6 s SER 33 Ca 0.19 -0.58 0.30 0.00 1.31 0.00 0.00 55.95 57.17 2hg6 s SER 33 Cb 0.10 -1.19 1.29 0.00 0.21 0.00 0.00 66.02 66.42 2hg6 s SER 33 CO 0.13 -0.08 1.97 -0.33 0.41 0.00 0.00 173.24 175.34 2hg6 h GLU 34 N 8.03 0.00 -0.18 12.44 5.08 -2.02 -3.01 114.58 134.93 2hg6 h GLU 34 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 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 0.52 0.10 0.00 -0.25 -1.00 0.00 0.00 179.01 178.37 2hg6 n ASP 35 N -3.27 0.22 -0.84 1.42 9.92 -1.26 -3.59 116.55 119.14 2hg6 n ASP 35 Ca -0.00 -2.00 0.12 0.00 -0.53 0.00 0.00 54.79 52.38 2hg6 n ASP 35 Cb 0.33 -0.09 0.10 0.00 -0.64 0.00 0.00 41.12 40.82 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2hg6 n SER 36 N -0.39 2.73 -4.76 -2.24 7.64 -1.14 -4.90 113.62 110.57 2hg6 n SER 36 Ca 0.00 -1.88 -0.37 0.00 1.01 0.00 0.00 58.87 57.64 2hg6 n SER 36 Cb 0.05 0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 2hg6 n SER 36 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2hg6 s PHE 37 N -2.10 3.53 0.00 1.43 -0.71 -1.24 -5.01 117.98 113.89 2hg6 s PHE 37 Ca 0.27 0.69 0.00 0.00 -1.04 0.00 0.00 56.93 56.84 2hg6 s PHE 37 Cb 0.20 -2.32 0.00 0.00 -1.21 0.00 0.00 43.02 39.69 2hg6 s PHE 37 CO 0.36 0.35 0.00 0.41 -1.34 0.00 0.00 175.22 174.99 2hg6 n GLY 38 N 2.97 0.82 0.00 1.99 0.00 -1.26 -4.97 105.19 104.74 2hg6 n GLY 38 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 1.03 -0.05 1.61 2.81 -1.26 -4.57 117.12 116.68 2hg6 n MET 39 Ca 0.00 -0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.87 2hg6 n MET 39 Cb 0.00 -1.35 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2hg6 n MET 39 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2hg6 h ASP 40 N 0.00 0.00 -3.52 7.83 3.32 -1.99 -3.44 116.42 118.63 2hg6 h ASP 40 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2hg6 h ASP 40 Cb 0.44 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.88 2hg6 h ASP 40 CO 0.00 0.55 0.48 -0.69 -1.72 0.00 0.00 179.24 177.87 2hg6 s VAL 41 N -1.74 4.66 0.52 -1.35 1.01 -1.26 -4.90 120.40 117.34 2hg6 s VAL 41 Ca -0.05 1.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 2hg6 s VAL 41 Cb 0.01 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 2hg6 s VAL 41 CO 0.07 -0.50 0.99 0.00 0.00 0.00 0.00 175.10 175.66 2hg6 s ALA 42 N 3.29 3.03 -0.50 5.51 0.00 -1.26 -4.26 121.76 127.57 2hg6 s ALA 42 Ca 0.34 0.21 0.21 0.00 0.00 0.00 0.00 51.96 52.72 2hg6 s ALA 42 Cb -0.13 -3.13 0.93 0.00 0.00 0.00 0.00 23.12 20.80 2hg6 s ALA 42 CO 0.18 -0.28 1.63 -0.40 0.00 0.00 0.00 175.76 176.89 2hg6 n ASP 43 N -1.60 0.53 0.21 0.00 5.75 -1.26 -1.15 116.55 119.02 2hg6 n ASP 43 Ca 0.07 0.66 0.06 0.00 -0.01 0.00 0.00 54.79 55.57 2hg6 n ASP 43 Cb 0.54 -0.76 0.44 0.00 -1.03 0.00 0.00 41.12 40.31 2hg6 n ASP 43 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2hg6 h ASP 44 N 0.00 0.00 1.01 -1.12 5.19 -2.02 -2.26 116.42 117.21 2hg6 h ASP 44 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2hg6 h ASP 44 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2hg6 h ASP 44 CO 0.00 0.31 -0.40 -0.24 -3.12 0.00 0.00 179.24 175.79 2hg6 n SER 45 N -3.82 0.66 -4.58 6.45 2.88 -0.30 -4.74 113.62 110.17 2hg6 n SER 45 Ca -0.01 0.24 -0.43 0.00 -1.33 0.00 0.00 58.87 57.33 2hg6 n SER 45 Cb 0.39 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.12 4.38 -0.05 2.46 1.01 -0.85 -4.02 121.20 121.00 2hg6 s ILE 46 Ca 0.08 0.95 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 2hg6 s ILE 46 Cb 0.14 -4.49 0.03 0.00 0.01 0.00 0.00 42.46 38.14 2hg6 s ILE 46 CO 0.67 -0.88 0.01 -0.89 0.00 0.00 0.00 174.94 173.84 2hg6 s THR 47 N 4.00 0.24 0.44 2.92 2.01 -0.14 -4.95 115.64 120.17 2hg6 s THR 47 Ca 0.41 0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.30 2hg6 s THR 47 Cb -0.09 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 2hg6 s THR 47 CO 0.28 0.20 1.30 -2.65 -0.69 0.00 0.00 174.62 173.06 2hg6 n PRO 48 N 4.69 1.95 0.32 4.92 -0.02 -1.26 -0.24 135.00 145.36 2hg6 n PRO 48 Ca -0.15 0.70 0.20 0.00 -2.02 0.00 0.00 63.50 62.22 2hg6 n PRO 48 Cb 0.50 -2.45 1.07 0.00 -0.02 0.00 0.00 33.50 32.60 2hg6 n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hg6 h THR 49 N 2.02 0.16 0.60 3.45 1.03 -0.82 0.06 112.91 119.41 2hg6 h THR 49 Ca -0.49 -0.10 -0.03 0.00 -0.01 0.00 0.00 66.41 65.78 2hg6 h THR 49 Cb 1.29 1.08 0.01 0.00 -1.07 0.00 0.00 68.15 69.46 2hg6 h THR 49 CO 0.60 0.01 -0.29 -1.28 -0.01 0.00 0.00 175.52 174.55 2hg6 h SER 50 N 0.00 -0.68 0.91 0.00 0.87 -1.75 -2.70 113.55 110.20 2hg6 h SER 50 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2hg6 h SER 50 Cb 0.08 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2hg6 h SER 50 CO 0.00 -0.40 0.00 1.21 -0.53 0.00 0.00 176.83 177.11 2hg6 n GLU 51 N -5.39 0.08 0.03 2.24 2.13 -0.71 -3.15 120.64 115.87 2hg6 n GLU 51 Ca -0.12 0.18 -0.20 0.00 0.66 0.00 0.00 57.16 57.67 2hg6 n GLU 51 Cb 0.35 -1.62 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 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 1.05 0.00 4.31 3.57 -0.85 -3.27 116.94 121.75 2hg6 h PHE 52 Ca 0.00 -0.56 0.00 0.00 3.53 0.00 0.00 57.97 60.94 2hg6 h PHE 52 Cb 0.45 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2hg6 h PHE 52 CO 0.00 1.40 0.00 1.33 -2.23 0.00 0.00 178.31 178.81 2hg6 n VAL 53 N -3.87 0.45 -3.61 1.41 0.24 -1.03 -4.74 118.33 107.18 2hg6 n VAL 53 Ca -0.11 -0.17 -0.37 0.00 -2.04 0.00 0.00 64.34 61.66 2hg6 n VAL 53 Cb 0.87 -0.60 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 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 -3.08 3.52 -0.24 6.34 0.52 -1.23 -0.43 118.94 124.33 2hg6 s TRP 54 Ca 0.11 0.62 0.01 0.00 0.02 0.00 0.00 56.10 56.86 2hg6 s TRP 54 Cb 0.14 -2.25 0.04 0.00 -1.15 0.00 0.00 33.47 30.25 2hg6 s TRP 54 CO 0.56 0.39 -0.11 -1.12 0.02 0.00 0.00 176.95 176.69 2hg6 s SER 55 N -0.03 4.17 -0.31 2.95 0.01 0.67 -4.91 113.70 116.23 2hg6 s SER 55 Ca 0.17 -1.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.04 2hg6 s SER 55 Cb -0.13 -1.58 0.01 0.00 0.21 0.00 0.00 66.02 64.53 2hg6 s SER 55 CO 0.05 -0.14 1.25 -0.44 0.41 0.00 0.00 173.24 174.37 2hg6 s SER 56 N 1.21 6.72 -0.03 2.44 0.01 -1.26 -0.08 113.70 122.71 2hg6 s SER 56 Ca -0.03 1.14 0.19 0.00 1.31 0.00 0.00 55.95 58.55 2hg6 s SER 56 Cb -0.18 -2.54 -0.22 0.00 0.21 0.00 0.00 66.02 63.30 2hg6 s SER 56 CO -0.06 -1.05 0.53 1.33 0.41 0.00 0.00 173.24 174.40 2hg6 n VAL 57 N 6.18 0.89 0.00 3.43 0.24 -0.91 -4.78 118.33 123.38 2hg6 n VAL 57 Ca 0.14 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2hg6 n VAL 57 Cb 0.47 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.67 0.00 0.07 7.34 3.00 -1.18 -5.08 116.66 118.15 2hg6 n ARG 58 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2hg6 n ARG 58 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 32.46 33.19 2hg6 n ARG 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2hg6 n ASP 59 N -2.05 -1.24 0.05 6.15 2.03 -1.26 -4.91 116.55 115.31 2hg6 n ASP 59 Ca 0.00 0.41 -0.15 0.00 0.52 0.00 0.00 54.79 55.57 2hg6 n ASP 59 Cb 0.00 1.40 -0.14 0.00 -0.72 0.00 0.00 41.12 41.66 2hg6 n ASP 59 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2hg6 h ASP 60 N 0.00 0.32 -2.89 1.67 3.32 -1.93 -3.44 116.42 113.46 2hg6 h ASP 60 Ca 0.00 -0.45 -0.56 0.00 0.02 0.00 0.00 57.03 56.03 2hg6 h ASP 60 Cb 0.00 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2hg6 h ASP 60 CO 0.00 1.38 1.18 -0.69 -1.72 0.00 0.00 179.24 179.38 2hg6 s VAL 61 N -2.62 3.68 0.02 -1.35 1.01 -1.25 -4.23 120.40 115.66 2hg6 s VAL 61 Ca -0.08 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.61 2hg6 s VAL 61 Cb 0.07 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2hg6 s VAL 61 CO 0.85 -0.69 -0.09 -0.04 0.00 0.00 0.00 175.10 175.13 2hg6 s MET 62 N 5.45 2.42 0.06 2.72 -1.94 0.47 -2.15 119.30 126.34 2hg6 s MET 62 Ca 0.68 -0.80 0.05 0.00 -1.71 0.00 0.00 55.69 53.90 2hg6 s MET 62 Cb -0.17 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 2hg6 s MET 62 CO 0.31 0.58 -0.03 1.03 -0.01 0.00 0.00 175.02 176.90 2hg6 s ARG 63 N -1.53 2.50 -0.37 2.03 0.52 0.89 -0.65 118.95 122.33 2hg6 s ARG 63 Ca 0.17 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 2hg6 s ARG 63 Cb -0.11 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.87 2hg6 s ARG 63 CO 0.08 0.56 1.21 -1.17 0.02 0.00 0.00 175.30 176.00 2hg6 s LEU 64 N -2.02 3.79 -0.48 2.53 1.98 -0.35 -0.24 118.68 123.89 2hg6 s LEU 64 Ca 0.22 0.92 -0.20 0.00 -2.89 0.00 0.00 54.13 52.18 2hg6 s LEU 64 Cb -0.11 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.23 2hg6 s LEU 64 CO 0.14 -1.12 0.66 -0.83 -1.89 0.00 0.00 176.35 173.32 2hg6 s GLY 65 N 2.53 1.71 0.48 7.98 0.00 0.43 -4.88 107.32 115.56 2hg6 s GLY 65 Ca 0.52 -1.46 0.31 0.00 0.00 0.00 0.00 44.72 44.09 2hg6 s GLY 65 CO 0.24 1.55 1.92 0.07 0.00 0.00 0.00 173.10 176.88 2hg6 h ARG 66 N 8.97 0.00 0.00 2.90 -0.00 -1.94 -2.51 114.38 121.80 2hg6 h ARG 66 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.70 2hg6 h ARG 66 Cb 1.09 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.06 2hg6 h ARG 66 CO 0.94 0.00 -0.07 0.93 -0.00 0.00 0.00 179.97 181.77 2hg6 h GLU 67 N 0.00 0.00 -0.28 0.08 4.39 -1.95 -2.27 114.58 114.55 2hg6 h GLU 67 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2hg6 h GLU 67 Cb 0.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2hg6 h GLU 67 CO 0.00 0.07 -0.36 1.96 -1.16 0.00 0.00 179.01 179.53 2hg6 h GLN 68 N 0.00 0.74 0.00 2.33 1.08 -1.80 -2.96 115.11 114.51 2hg6 h GLN 68 Ca -0.00 -0.42 -0.04 0.00 -1.45 0.00 0.00 58.65 56.74 2hg6 h GLN 68 Cb 0.21 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2hg6 h GLN 68 CO 0.01 1.04 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.67 2hg6 h LEU 69 N 0.49 0.00 -1.33 1.46 4.07 -1.54 -2.02 115.31 116.44 2hg6 h LEU 69 Ca 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 2hg6 h LEU 69 Cb 0.94 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 2hg6 h LEU 69 CO 0.08 0.20 0.08 1.56 -1.08 0.00 0.00 178.44 179.28 2hg6 h GLN 70 N 0.00 0.54 -0.02 1.13 1.08 -1.37 0.60 115.11 117.06 2hg6 h GLN 70 Ca -0.00 -0.09 -0.19 0.00 -1.45 0.00 0.00 58.65 56.92 2hg6 h GLN 70 Cb 0.37 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2hg6 h GLN 70 CO 0.03 0.50 -0.81 0.82 -0.95 0.00 0.00 178.83 178.42 2hg6 h ILE 71 N 0.53 1.45 -0.06 2.54 2.04 -1.40 -3.32 117.51 119.30 2hg6 h ILE 71 Ca 0.12 -2.42 -0.15 0.00 1.00 0.00 0.00 64.86 63.41 2hg6 h ILE 71 Cb 0.21 2.33 0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2hg6 h ILE 71 CO -0.00 0.71 -0.54 -0.07 0.00 0.00 0.00 178.15 178.24 2hg6 h LEU 72 N 0.14 0.57 -2.44 1.44 3.38 -1.09 -3.24 115.31 114.07 2hg6 h LEU 72 Ca -0.04 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 2hg6 h LEU 72 Cb 1.40 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2hg6 h LEU 72 CO 0.13 1.18 -0.02 0.17 0.09 0.00 0.00 178.44 179.99 2hg6 h LEU 73 N 0.01 0.00 -1.59 1.67 8.10 -1.02 -0.82 115.31 121.67 2hg6 h LEU 73 Ca -0.05 0.00 0.04 0.00 0.11 0.00 0.00 57.88 57.98 2hg6 h LEU 73 Cb 1.22 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.41 2hg6 h LEU 73 CO 0.11 0.02 0.33 -0.33 -4.11 0.00 0.00 178.44 174.46 2hg6 h GLU 74 N 0.00 0.51 -4.19 0.17 5.08 -1.65 -3.29 114.58 111.20 2hg6 h GLU 74 Ca -0.00 -0.03 -0.75 0.00 -1.00 0.00 0.00 59.36 57.58 2hg6 h GLU 74 Cb 0.07 -0.11 -0.23 0.00 0.50 0.00 0.00 28.75 28.97 2hg6 h GLU 74 CO 0.00 0.34 0.03 -0.65 -1.00 0.00 0.00 179.01 177.73 2hg6 s GLN 75 N -5.47 3.25 -1.22 2.33 -1.52 -0.31 -4.99 119.66 111.72 2hg6 s GLN 75 Ca -0.08 -1.89 -0.20 0.00 -1.95 0.00 0.00 55.36 51.25 2hg6 s GLN 75 Cb 0.18 -4.38 0.06 0.00 -0.22 0.00 0.00 33.01 28.65 2hg6 s GLN 75 CO 0.74 -1.39 1.68 1.21 -0.25 0.00 0.00 175.29 177.28 2hg6 s ASN 76 N 3.13 6.66 -0.45 5.90 3.84 -1.24 -4.67 114.94 128.11 2hg6 s ASN 76 Ca 0.12 -2.15 0.06 0.00 0.21 0.00 0.00 52.86 51.10 2hg6 s ASN 76 Cb -0.20 -2.58 0.20 0.00 -0.55 0.00 0.00 41.25 38.12 2hg6 s ASN 76 CO -0.01 -1.35 0.58 2.30 -2.79 0.00 0.00 177.10 175.83 2hg6 n ILE 77 N 6.59 -0.57 -0.25 -5.21 -6.64 -1.26 -5.03 119.36 107.00 2hg6 n ILE 77 Ca 0.45 -2.52 0.03 0.00 -1.77 0.00 0.00 62.75 58.94 2hg6 n ILE 77 Cb 0.47 -0.43 0.16 0.00 -1.44 0.00 0.00 39.64 38.41 2hg6 n ILE 77 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2hg6 h ASN 78 N 4.85 0.34 0.24 7.28 4.21 -1.96 0.13 115.58 130.67 2hg6 h ASN 78 Ca 0.10 0.09 -0.24 0.00 1.21 0.00 0.00 56.30 57.46 2hg6 h ASN 78 Cb 0.98 0.04 0.01 0.00 -1.12 0.00 0.00 38.32 38.23 2hg6 h ASN 78 CO 0.28 0.17 -0.97 -0.08 -1.29 0.00 0.00 177.43 175.53 2hg6 h GLU 79 N 0.50 0.49 0.05 0.81 4.81 -1.95 0.70 114.58 119.99 2hg6 h GLU 79 Ca 0.38 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2hg6 h GLU 79 Cb 0.50 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2hg6 h GLU 79 CO -0.34 1.17 -0.02 -0.09 -0.73 0.00 0.00 179.01 179.00 2hg6 h ARG 80 N 0.28 -0.06 0.00 1.92 2.43 -1.80 -2.92 114.38 114.23 2hg6 h ARG 80 Ca -0.09 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2hg6 h ARG 80 Cb 1.62 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.17 2hg6 h ARG 80 CO 0.18 0.45 -0.22 1.25 -1.51 0.00 0.00 179.97 180.12 2hg6 h LEU 81 N -0.61 0.00 -2.69 3.80 6.46 -0.89 -3.48 115.31 117.89 2hg6 h LEU 81 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2hg6 h LEU 81 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2hg6 h LEU 81 CO 0.01 0.22 -0.16 -3.20 -0.62 0.00 0.00 178.44 174.69 2hg6 n ASN 82 N -3.57 -4.67 -4.57 1.25 4.05 -0.14 -4.63 115.26 102.97 2hg6 n ASN 82 Ca -0.01 0.16 -0.36 0.00 0.45 0.00 0.00 54.58 54.83 2hg6 n ASN 82 Cb 0.36 -2.98 -0.11 0.00 1.23 0.00 0.00 39.78 38.29 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2hg6 s ILE 83 N -2.11 4.70 0.56 -1.44 1.09 0.06 -4.47 121.20 119.59 2hg6 s ILE 83 Ca 0.08 -0.05 -0.21 0.00 -1.10 0.00 0.00 60.65 59.36 2hg6 s ILE 83 Cb -0.02 -3.16 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 2hg6 s ILE 83 CO 0.34 0.40 1.36 0.61 -0.10 0.00 0.00 174.94 177.55 2hg6 n GLY 84 N 4.14 0.77 0.25 6.18 0.00 -1.26 -4.85 105.19 110.41 2hg6 n GLY 84 Ca -0.16 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 1.35 0.81 0.00 1.61 4.81 -1.97 0.21 114.58 121.40 2hg6 h GLU 85 Ca -0.51 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 2hg6 h GLU 85 Cb 1.31 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2hg6 h GLU 85 CO 0.57 0.69 0.12 -1.35 -0.73 0.00 0.00 179.01 178.31 2hg6 h PRO 86 N 0.74 0.00 0.01 0.92 0.11 -1.91 -0.06 132.00 131.81 2hg6 h PRO 86 Ca 0.18 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.10 2hg6 h PRO 86 Cb 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 2hg6 h PRO 86 CO -0.02 0.00 -0.94 -0.07 -0.21 0.00 0.00 178.00 176.76 2hg6 h LEU 87 N 0.00 0.03 -0.29 2.35 -0.00 -1.23 -2.35 115.31 113.83 2hg6 h LEU 87 Ca 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2hg6 h LEU 87 Cb 0.24 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 2hg6 h LEU 87 CO 0.00 0.96 0.06 -0.07 -0.00 0.00 0.00 178.44 179.39 2hg6 h LEU 88 N 0.01 0.44 -0.94 1.67 4.07 -0.56 -0.91 115.31 119.08 2hg6 h LEU 88 Ca -0.02 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 57.60 2hg6 h LEU 88 Cb 1.66 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.27 2hg6 h LEU 88 CO 0.13 0.57 -0.36 -0.37 -1.08 0.00 0.00 178.44 177.32 2hg6 h VAL 89 N 0.29 1.29 -0.48 1.22 -1.51 -1.54 -1.35 116.25 114.18 2hg6 h VAL 89 Ca 0.09 -1.43 -0.03 0.00 -1.23 0.00 0.00 66.70 64.10 2hg6 h VAL 89 Cb 0.31 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 2hg6 h VAL 89 CO 0.00 0.43 0.15 0.22 -1.23 0.00 0.00 177.57 177.15 2hg6 h TYR 90 N 0.28 0.70 -0.19 5.19 3.20 -1.21 0.08 116.97 125.02 2hg6 h TYR 90 Ca 0.03 -0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 2hg6 h TYR 90 Cb 0.77 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2hg6 h TYR 90 CO 0.02 0.58 -0.49 1.25 -1.64 0.00 0.00 178.16 177.87 2hg6 h LEU 91 N 0.69 0.57 0.72 2.82 7.12 -0.47 -3.15 115.31 123.60 2hg6 h LEU 91 Ca 0.16 -0.28 -0.04 0.00 0.13 0.00 0.00 57.88 57.85 2hg6 h LEU 91 Cb 0.20 -0.16 0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2hg6 h LEU 91 CO -0.01 0.97 -0.34 0.03 -0.13 0.00 0.00 178.44 178.95 2hg6 h ARG 92 N 0.41 -0.93 -2.51 1.25 2.47 -0.54 -3.45 114.38 111.08 2hg6 h ARG 92 Ca 0.02 0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 2hg6 h ARG 92 Cb 1.01 0.21 -0.24 0.00 -1.65 0.00 0.00 29.97 29.30 2hg6 h ARG 92 CO 0.09 -0.60 -0.15 0.50 0.56 0.00 0.00 179.97 180.37 2hg6 s ARG 93 N -5.73 0.56 0.08 0.04 3.52 -0.05 -5.11 118.95 112.26 2hg6 s ARG 93 Ca -0.17 0.75 -0.28 0.00 -0.13 0.00 0.00 55.73 55.90 2hg6 s ARG 93 Cb 0.03 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.58 2hg6 s ARG 93 CO 0.58 -0.09 0.89 1.14 -0.81 0.00 0.00 175.30 177.02 2hg6 s GLN 94 N 0.57 4.62 -0.16 5.12 0.00 -1.20 -4.01 119.66 124.61 2hg6 s GLN 94 Ca -0.02 1.31 -0.22 0.00 -0.00 0.00 0.00 55.36 56.43 2hg6 s GLN 94 Cb -0.04 -3.38 -0.23 0.00 0.00 0.00 0.00 33.01 29.36 2hg6 s GLN 94 CO -0.03 0.22 0.45 0.22 0.00 0.00 0.00 175.29 176.15 2hg6 h ASP 95 N 5.69 0.11 -3.65 12.60 3.58 -1.91 -3.44 116.42 129.40 2hg6 h ASP 95 Ca -0.43 -0.74 -0.63 0.00 0.42 0.00 0.00 57.03 55.65 2hg6 h ASP 95 Cb 1.21 -0.04 -0.39 0.00 1.72 0.00 0.00 39.33 41.84 2hg6 h ASP 95 CO 0.72 1.41 -0.77 -0.76 -2.88 0.00 0.00 179.24 176.95 2hg6 s LEU 96 N -7.86 3.27 0.00 2.28 1.43 -1.26 -4.97 118.68 111.58 2hg6 s LEU 96 Ca -0.24 -1.52 0.06 0.00 -1.03 0.00 0.00 54.13 51.40 2hg6 s LEU 96 Cb 0.03 -1.34 0.30 0.00 0.03 0.00 0.00 46.19 45.21 2hg6 s LEU 96 CO 0.67 -0.28 0.96 -2.65 0.23 0.00 0.00 176.35 175.28 2hg6 n PRO 97 N 4.53 0.11 -2.51 1.29 -0.02 -1.26 -2.91 135.00 134.23 2hg6 n PRO 97 Ca -0.07 0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 2hg6 n PRO 97 Cb 0.43 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.43 2hg6 n PRO 97 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2hg6 n GLU 98 N -1.20 2.51 -2.18 -0.52 4.07 -1.26 -5.01 120.64 117.05 2hg6 n GLU 98 Ca 0.03 -3.91 -0.43 0.00 -0.06 0.00 0.00 57.16 52.79 2hg6 n GLU 98 Cb 0.04 -1.85 -0.02 0.00 -0.06 0.00 0.00 31.44 29.54 2hg6 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2hg6 s ILE 99 N -4.37 3.68 0.13 6.31 1.01 -1.15 -4.97 121.20 121.84 2hg6 s ILE 99 Ca 0.39 0.68 0.08 0.00 0.00 0.00 0.00 60.65 61.80 2hg6 s ILE 99 Cb 0.41 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 2hg6 s ILE 99 CO -0.06 -0.62 -0.19 0.42 0.00 0.00 0.00 174.94 174.49 2hg6 s THR 100 N 6.24 1.69 -0.10 2.92 -4.23 -1.26 -1.21 115.64 119.69 2hg6 s THR 100 Ca 0.70 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 2hg6 s THR 100 Cb -0.18 -1.65 0.02 0.00 1.34 0.00 0.00 72.50 72.03 2hg6 s THR 100 CO 0.32 -0.20 -0.12 0.00 -0.54 0.00 0.00 174.62 174.08 2hg6 s ALA 101 N -1.62 1.43 -0.20 3.99 0.00 0.17 -4.96 121.76 120.57 2hg6 s ALA 101 Ca 0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 2hg6 s ALA 101 Cb -0.08 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.36 2hg6 s ALA 101 CO 0.05 -0.12 0.19 1.14 0.00 0.00 0.00 175.76 177.01 2hg6 s GLN 102 N 1.11 0.16 -0.59 0.00 -2.07 -1.26 -0.39 119.66 116.62 2hg6 s GLN 102 Ca -0.06 0.07 -0.28 0.00 -1.82 0.00 0.00 55.36 53.28 2hg6 s GLN 102 Cb -0.14 -1.34 0.02 0.00 -1.09 0.00 0.00 33.01 30.45 2hg6 s GLN 102 CO -0.02 -0.70 1.38 1.03 -1.32 0.00 0.00 175.29 175.66 2hg6 s ARG 103 N 2.27 3.30 0.23 9.60 0.52 -1.26 -4.97 118.95 128.64 2hg6 s ARG 103 Ca 0.06 0.35 0.05 0.00 -0.52 0.00 0.00 55.73 55.67 2hg6 s ARG 103 Cb -0.16 -4.12 -0.03 0.00 0.52 0.00 0.00 34.95 31.16 2hg6 s ARG 103 CO -0.14 -1.95 0.32 1.14 0.02 0.00 0.00 175.30 174.69 2hg6 s GLN 104 N 5.50 3.34 -0.56 3.54 -2.07 -1.26 -4.98 119.66 123.18 2hg6 s GLN 104 Ca 0.49 -0.80 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 2hg6 s GLN 104 Cb -0.10 -2.84 0.55 0.00 -1.09 0.00 0.00 33.01 29.53 2hg6 s GLN 104 CO 0.24 0.44 1.95 1.28 -1.32 0.00 0.00 175.29 177.88 2hg6 n LEU 105 N -1.26 7.13 -0.22 2.60 4.77 -1.26 -5.28 117.00 123.47 2hg6 n LEU 105 Ca -0.09 -3.99 0.03 0.00 -0.03 0.00 0.00 56.01 51.93 2hg6 n LEU 105 Cb 0.57 -0.90 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2hg6 n LEU 105 CO 0.45 1.30 0.34 -2.11 -1.33 0.00 0.00 177.39 176.04