#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 3.94 0.41 7.83 0.01 -1.26 -5.05 113.70 119.59 2hg6 s SER 2 Ca 0.00 -1.53 -0.08 0.00 1.31 0.00 0.00 55.95 55.65 2hg6 s SER 2 Cb 0.00 0.11 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 2hg6 s SER 2 CO 0.00 -0.68 0.75 -0.63 0.41 0.00 0.00 173.24 173.09 2hg6 s ILE 3 N -2.83 4.85 0.46 1.44 -1.09 -1.26 -4.99 121.20 117.78 2hg6 s ILE 3 Ca 0.19 0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 59.04 2hg6 s ILE 3 Cb 0.05 -3.77 0.09 0.00 -1.58 0.00 0.00 42.46 37.26 2hg6 s ILE 3 CO 0.10 -0.58 0.63 0.35 -1.23 0.00 0.00 174.94 174.20 2hg6 n THR 4 N -1.50 0.00 -1.04 2.92 -2.24 -1.26 -5.11 114.28 106.05 2hg6 n THR 4 Ca 0.01 -0.90 -0.01 0.00 -2.27 0.00 0.00 64.05 60.89 2hg6 n THR 4 Cb 0.54 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2hg6 n THR 4 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hg6 n SER 5 N -3.01 0.00 0.20 3.42 2.88 -1.26 -4.80 113.62 111.05 2hg6 n SER 5 Ca 0.10 -1.01 0.17 0.00 -1.33 0.00 0.00 58.87 56.80 2hg6 n SER 5 Cb 0.35 -0.02 0.68 0.00 -0.75 0.00 0.00 64.21 64.48 2hg6 n SER 5 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2hg6 h THR 6 N -1.00 0.14 -0.53 2.46 2.02 -2.02 0.56 112.91 114.54 2hg6 h THR 6 Ca -0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 2hg6 h THR 6 Cb 0.02 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2hg6 h THR 6 CO 0.01 0.00 0.51 0.44 0.37 0.00 0.00 175.52 176.85 2hg6 h ASP 7 N 0.00 0.00 -0.58 4.18 5.19 -1.98 0.11 116.42 123.34 2hg6 h ASP 7 Ca 0.11 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 2hg6 h ASP 7 Cb 1.13 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 2hg6 h ASP 7 CO -0.00 0.00 0.19 -0.29 -3.12 0.00 0.00 179.24 176.02 2hg6 h ILE 8 N 0.00 1.24 -0.03 0.35 2.10 -1.19 0.14 117.51 120.12 2hg6 h ILE 8 Ca 0.25 -0.78 -0.18 0.00 1.08 0.00 0.00 64.86 65.23 2hg6 h ILE 8 Cb 1.28 0.66 -0.01 0.00 -1.09 0.00 0.00 36.82 37.66 2hg6 h ILE 8 CO -0.00 0.30 -0.77 0.00 -1.08 0.00 0.00 178.15 176.59 2hg6 h GLN 10 N 0.17 0.60 -0.24 0.00 1.08 -0.87 -2.37 115.11 113.48 2hg6 h GLN 10 Ca -0.03 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 56.87 2hg6 h GLN 10 Cb 1.35 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 2hg6 h GLN 10 CO 0.12 0.75 -0.24 0.00 -0.95 0.00 0.00 178.83 178.51 2hg6 h ALA 11 N 0.83 1.14 -0.07 3.87 0.00 -0.74 -0.87 119.26 123.42 2hg6 h ALA 11 Ca 0.09 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2hg6 h ALA 11 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2hg6 h ALA 11 CO 0.02 0.54 -0.24 0.00 0.00 0.00 0.00 179.25 179.57 2hg6 h ALA 12 N 1.34 1.47 0.00 0.00 0.00 -1.31 -2.03 119.26 118.74 2hg6 h ALA 12 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2hg6 h ALA 12 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2hg6 h ALA 12 CO 0.05 0.38 -0.58 0.22 0.00 0.00 0.00 179.25 179.32 2hg6 h ASP 13 N 0.11 0.00 -0.49 0.00 3.58 -0.90 -3.28 116.42 115.43 2hg6 h ASP 13 Ca 0.02 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2hg6 h ASP 13 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2hg6 h ASP 13 CO 0.03 0.09 0.00 0.00 -2.88 0.00 0.00 179.24 176.49 2hg6 n ALA 14 N -1.84 2.42 -1.96 -0.78 0.00 -0.38 -4.86 120.51 113.11 2hg6 n ALA 14 Ca 0.03 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 2hg6 n ALA 14 Cb 0.44 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.27 4.36 -0.00 0.00 1.43 -0.95 -4.99 118.68 117.25 2hg6 s LEU 15 Ca 0.40 2.43 -0.01 0.00 -1.03 0.00 0.00 54.13 55.93 2hg6 s LEU 15 Cb 0.22 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2hg6 s LEU 15 CO 0.30 -0.87 0.11 -1.59 0.23 0.00 0.00 176.35 174.53 2hg6 s LYS 16 N 2.67 3.16 0.00 1.70 -2.85 -1.26 -3.62 119.74 119.55 2hg6 s LYS 16 Ca 0.73 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 2hg6 s LYS 16 Cb -0.39 -2.92 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 2hg6 s LYS 16 CO 0.31 0.65 0.00 0.41 0.10 0.00 0.00 175.35 176.82 2hg6 n GLY 17 N 1.07 2.40 3.59 0.59 0.00 -1.26 -4.76 105.19 106.81 2hg6 n GLY 17 Ca -0.12 -2.09 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.14 2.47 -0.05 1.61 0.08 -0.61 -1.06 117.98 118.27 2hg6 s PHE 18 Ca 0.00 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 56.48 2hg6 s PHE 18 Cb 0.00 -1.45 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 2hg6 s PHE 18 CO 0.00 0.53 0.23 0.54 -0.10 0.00 0.00 175.22 176.41 2hg6 s VAL 19 N -2.58 0.03 0.27 -0.44 0.11 0.14 0.02 120.40 117.96 2hg6 s VAL 19 Ca 0.34 -0.25 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 2hg6 s VAL 19 Cb 0.02 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.45 2hg6 s VAL 19 CO 0.18 -0.14 0.45 -0.83 -3.33 0.00 0.00 175.10 171.43 2hg6 s GLY 20 N -0.50 0.87 -0.27 6.54 0.00 0.68 -0.68 107.32 113.96 2hg6 s GLY 20 Ca -0.06 -1.13 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 2hg6 s GLY 20 CO 0.01 -0.80 0.11 -0.12 0.00 0.00 0.00 173.10 172.31 2hg6 s PHE 21 N -3.74 3.13 -0.76 1.90 5.36 -1.26 -0.43 117.98 122.19 2hg6 s PHE 21 Ca 0.26 -0.41 -0.24 0.00 -0.96 0.00 0.00 56.93 55.58 2hg6 s PHE 21 Cb 0.00 -2.29 0.06 0.00 -0.34 0.00 0.00 43.02 40.45 2hg6 s PHE 21 CO 0.12 -0.37 1.15 1.21 -1.46 0.00 0.00 175.22 175.88 2hg6 s ASN 22 N 1.63 6.25 0.47 6.13 3.84 -0.37 -4.86 114.94 128.03 2hg6 s ASN 22 Ca 0.06 -0.94 0.32 0.00 0.21 0.00 0.00 52.86 52.50 2hg6 s ASN 22 Cb -0.16 -2.49 1.57 0.00 -0.55 0.00 0.00 41.25 39.62 2hg6 s ASN 22 CO 0.05 -1.56 1.97 0.08 -2.79 0.00 0.00 177.10 174.85 2hg6 h ARG 23 N 9.70 0.00 0.00 0.43 0.11 -1.96 0.24 114.38 122.89 2hg6 h ARG 23 Ca -0.19 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.64 2hg6 h ARG 23 Cb 1.05 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.09 2hg6 h ARG 23 CO 1.24 0.00 -1.62 1.63 0.10 0.00 0.00 179.97 181.32 2hg6 n LYS 24 N -2.71 0.63 -0.03 0.08 5.02 -1.26 -4.04 118.16 115.86 2hg6 n LYS 24 Ca -0.01 0.28 -0.01 0.00 -2.02 0.00 0.00 58.31 56.55 2hg6 n LYS 24 Cb 0.15 -1.80 -0.13 0.00 -0.02 0.00 0.00 35.03 33.23 2hg6 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2hg6 n THR 25 N -3.00 0.97 -1.00 -0.18 -2.24 -0.99 -5.00 114.28 102.83 2hg6 n THR 25 Ca -0.15 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2hg6 n THR 25 Cb 0.99 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.49 0.71 3.20 3.38 0.00 0.79 -5.06 105.19 109.70 2hg6 n GLY 26 Ca -0.17 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.14 0.92 -0.34 1.61 1.70 -1.17 -5.00 118.95 114.53 2hg6 s ARG 27 Ca 0.00 -1.21 -0.13 0.00 -0.47 0.00 0.00 55.73 53.92 2hg6 s ARG 27 Cb 0.00 -0.67 -0.02 0.00 -0.57 0.00 0.00 34.95 33.69 2hg6 s ARG 27 CO 0.00 0.11 0.25 -0.47 -1.08 0.00 0.00 175.30 174.11 2hg6 s TYR 28 N -2.40 3.23 0.11 5.89 5.04 -1.26 -1.23 117.35 126.72 2hg6 s TYR 28 Ca 0.07 -0.19 0.08 0.00 -2.44 0.00 0.00 57.07 54.60 2hg6 s TYR 28 Cb -0.03 -2.49 -0.04 0.00 0.35 0.00 0.00 41.96 39.75 2hg6 s TYR 28 CO 0.01 -0.36 -0.20 0.96 -1.34 0.00 0.00 175.55 174.62 2hg6 s ILE 29 N 1.75 1.69 0.31 3.14 -5.25 0.43 -4.95 121.20 118.32 2hg6 s ILE 29 Ca 0.07 -1.59 -0.13 0.00 -0.99 0.00 0.00 60.65 58.00 2hg6 s ILE 29 Cb -0.17 -1.58 -0.08 0.00 2.95 0.00 0.00 42.46 43.58 2hg6 s ILE 29 CO 0.11 -0.12 0.70 0.68 -1.79 0.00 0.00 174.94 174.52 2hg6 s VAL 30 N -1.33 4.74 -0.02 8.37 -7.23 -1.26 -0.23 120.40 123.44 2hg6 s VAL 30 Ca 0.07 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2hg6 s VAL 30 Cb -0.09 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.24 2hg6 s VAL 30 CO 0.04 -0.21 0.01 -0.60 -0.31 0.00 0.00 175.10 174.03 2hg6 s ARG 31 N -3.07 0.18 -0.05 4.82 6.06 0.10 -4.90 118.95 122.10 2hg6 s ARG 31 Ca 0.52 0.08 -0.04 0.00 -2.50 0.00 0.00 55.73 53.80 2hg6 s ARG 31 Cb -0.10 -0.36 -0.27 0.00 0.06 0.00 0.00 34.95 34.27 2hg6 s ARG 31 CO 0.20 -0.12 0.63 0.35 -2.50 0.00 0.00 175.30 173.87 2hg6 h PHE 32 N 7.08 0.46 -3.54 5.12 3.57 -1.96 -1.62 116.94 126.05 2hg6 h PHE 32 Ca -0.41 -0.34 -0.69 0.00 3.53 0.00 0.00 57.97 60.07 2hg6 h PHE 32 Cb 1.14 -0.02 -0.18 0.00 2.79 0.00 0.00 35.95 39.68 2hg6 h PHE 32 CO 0.49 1.52 -0.15 -1.12 -2.23 0.00 0.00 178.31 176.82 2hg6 s SER 33 N -6.95 6.22 0.60 0.41 0.01 -1.26 -4.73 113.70 107.99 2hg6 s SER 33 Ca -0.14 -0.63 0.33 0.00 1.31 0.00 0.00 55.95 56.83 2hg6 s SER 33 Cb 0.07 -2.24 1.89 0.00 0.21 0.00 0.00 66.02 65.95 2hg6 s SER 33 CO 0.82 -0.62 2.24 -0.08 0.41 0.00 0.00 173.24 176.01 2hg6 h GLU 34 N 8.75 0.00 0.00 12.44 4.81 -1.99 -1.82 114.58 136.77 2hg6 h GLU 34 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2hg6 h GLU 34 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2hg6 h GLU 34 CO 0.81 0.03 0.00 -3.47 -0.73 0.00 0.00 179.01 175.65 2hg6 n ASP 35 N -3.56 0.00 -3.10 1.04 2.03 -1.26 -4.29 116.55 107.41 2hg6 n ASP 35 Ca -0.03 0.48 -0.32 0.00 0.52 0.00 0.00 54.79 55.44 2hg6 n ASP 35 Cb 0.12 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 39.98 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2hg6 n SER 36 N -1.49 7.63 -4.12 1.67 7.64 -0.69 -4.77 113.62 119.49 2hg6 n SER 36 Ca 0.06 -2.51 -0.11 0.00 1.01 0.00 0.00 58.87 57.32 2hg6 n SER 36 Cb 0.26 -1.45 -0.09 0.00 -1.01 0.00 0.00 64.21 61.92 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 2.20 0.85 0.00 1.43 -0.71 -1.26 -5.09 117.98 115.40 2hg6 s PHE 37 Ca 0.64 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 2hg6 s PHE 37 Cb 0.19 -0.32 0.00 0.00 -1.21 0.00 0.00 43.02 41.67 2hg6 s PHE 37 CO -0.05 -0.71 0.00 0.41 -1.34 0.00 0.00 175.22 173.53 2hg6 n GLY 38 N -0.27 5.41 0.13 1.99 0.00 -1.26 -5.01 105.19 106.19 2hg6 n GLY 38 Ca -0.01 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.84 2hg6 n GLY 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2hg6 h MET 39 N 0.00 0.00 -0.02 1.61 2.86 -2.02 -3.32 114.93 114.04 2hg6 h MET 39 Ca 0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 2hg6 h MET 39 Cb 0.00 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.68 2hg6 h MET 39 CO 0.00 0.09 -0.86 0.22 1.06 0.00 0.00 176.91 177.42 2hg6 h ASP 40 N 0.00 0.78 -3.36 1.22 1.82 -2.05 -3.44 116.42 111.39 2hg6 h ASP 40 Ca -0.03 -0.73 -0.56 0.00 -0.39 0.00 0.00 57.03 55.31 2hg6 h ASP 40 Cb 1.14 -0.24 -0.05 0.00 0.68 0.00 0.00 39.33 40.86 2hg6 h ASP 40 CO 0.01 1.41 0.22 -0.69 -1.61 0.00 0.00 179.24 178.59 2hg6 s VAL 41 N -3.33 4.97 0.38 2.25 1.01 -1.25 -5.04 120.40 119.39 2hg6 s VAL 41 Ca -0.11 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.24 2hg6 s VAL 41 Cb 0.06 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2hg6 s VAL 41 CO 0.88 0.17 1.02 0.00 0.00 0.00 0.00 175.10 177.18 2hg6 s ALA 42 N 1.21 3.12 0.33 5.51 0.00 -1.26 -4.44 121.76 126.23 2hg6 s ALA 42 Ca 0.40 0.65 0.03 0.00 0.00 0.00 0.00 51.96 53.04 2hg6 s ALA 42 Cb -0.18 -3.25 0.57 0.00 0.00 0.00 0.00 23.12 20.27 2hg6 s ALA 42 CO 0.18 -0.10 1.90 -0.44 0.00 0.00 0.00 175.76 177.30 2hg6 h ASP 43 N 2.66 0.61 0.65 0.00 5.19 -1.96 -2.15 116.42 121.42 2hg6 h ASP 43 Ca -0.48 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 2hg6 h ASP 43 Cb 1.21 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.56 2hg6 h ASP 43 CO 0.63 0.59 0.00 0.47 -3.12 0.00 0.00 179.24 177.81 2hg6 n ASP 44 N -4.32 0.69 0.08 6.45 9.92 -1.26 -1.96 116.55 126.15 2hg6 n ASP 44 Ca 0.03 0.68 -0.09 0.00 -0.53 0.00 0.00 54.79 54.88 2hg6 n ASP 44 Cb 0.19 -0.82 -0.02 0.00 -0.64 0.00 0.00 41.12 39.83 2hg6 n ASP 44 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2hg6 h SER 45 N 0.00 0.27 -2.92 -2.24 0.87 -1.77 -3.42 113.55 104.33 2hg6 h SER 45 Ca 0.00 -0.22 -0.56 0.00 -1.23 0.00 0.00 61.79 59.78 2hg6 h SER 45 Cb 0.33 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 2hg6 h SER 45 CO 0.00 1.03 1.15 -0.63 -0.53 0.00 0.00 176.83 177.85 2hg6 s ILE 46 N -3.18 3.74 -0.08 2.23 1.01 -0.83 -4.32 121.20 119.77 2hg6 s ILE 46 Ca -0.03 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.36 2hg6 s ILE 46 Cb 0.10 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2hg6 s ILE 46 CO 0.83 -0.81 -0.21 -0.89 0.00 0.00 0.00 174.94 173.86 2hg6 s THR 47 N 6.22 1.81 0.22 2.92 2.01 0.14 -4.93 115.64 124.02 2hg6 s THR 47 Ca 0.63 -0.88 -0.32 0.00 0.31 0.00 0.00 61.69 61.43 2hg6 s THR 47 Cb -0.14 -1.57 -0.13 0.00 0.01 0.00 0.00 72.50 70.66 2hg6 s THR 47 CO 0.30 0.50 1.47 -2.65 -0.69 0.00 0.00 174.62 173.56 2hg6 n PRO 48 N 3.48 2.12 0.08 4.92 -0.02 -1.26 0.27 135.00 144.59 2hg6 n PRO 48 Ca -0.20 0.76 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 2hg6 n PRO 48 Cb 0.53 -2.46 0.55 0.00 -0.02 0.00 0.00 33.50 32.10 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 3.24 0.98 0.00 3.45 1.03 -1.36 0.14 112.91 120.39 2hg6 h THR 49 Ca -0.45 -0.09 -0.07 0.00 -0.01 0.00 0.00 66.41 65.79 2hg6 h THR 49 Cb 1.26 0.71 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 2hg6 h THR 49 CO 0.80 0.05 -0.34 0.77 -0.01 0.00 0.00 175.52 176.78 2hg6 h SER 50 N 0.25 0.00 1.17 0.00 4.64 -1.77 -2.88 113.55 114.96 2hg6 h SER 50 Ca 0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2hg6 h SER 50 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2hg6 h SER 50 CO -0.03 0.34 -0.85 -0.08 -0.87 0.00 0.00 176.83 175.35 2hg6 h GLU 51 N 0.00 0.00 0.00 4.77 4.81 -1.14 -3.33 114.58 119.69 2hg6 h GLU 51 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2hg6 h GLU 51 Cb 0.95 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2hg6 h GLU 51 CO 0.04 0.07 -0.79 0.35 -0.73 0.00 0.00 179.01 177.96 2hg6 h PHE 52 N 0.00 0.00 0.00 0.92 3.57 -0.74 -3.19 116.94 117.50 2hg6 h PHE 52 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2hg6 h PHE 52 Cb 1.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2hg6 h PHE 52 CO 0.00 0.79 0.00 -0.39 -2.23 0.00 0.00 178.31 176.48 2hg6 h VAL 53 N 0.00 0.00 -3.72 1.41 -1.51 -1.63 -3.42 116.25 107.37 2hg6 h VAL 53 Ca -0.01 -0.52 -0.67 0.00 -1.23 0.00 0.00 66.70 64.27 2hg6 h VAL 53 Cb 1.46 1.51 -0.20 0.00 -2.13 0.00 0.00 31.29 31.93 2hg6 h VAL 53 CO 0.10 0.00 -0.53 0.26 -1.23 0.00 0.00 177.57 176.17 2hg6 s TRP 54 N -3.13 3.19 -0.10 5.19 0.52 -1.21 -0.62 118.94 122.79 2hg6 s TRP 54 Ca 0.10 -0.30 -0.22 0.00 0.02 0.00 0.00 56.10 55.70 2hg6 s TRP 54 Cb 0.11 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 2hg6 s TRP 54 CO 0.59 -0.35 0.64 0.45 0.02 0.00 0.00 176.95 178.30 2hg6 s SER 55 N 1.68 6.88 -0.22 2.95 0.15 0.14 -4.86 113.70 120.42 2hg6 s SER 55 Ca 0.06 1.06 -0.24 0.00 0.70 0.00 0.00 55.95 57.52 2hg6 s SER 55 Cb -0.17 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2hg6 s SER 55 CO 0.08 -0.11 0.80 -0.44 1.20 0.00 0.00 173.24 174.77 2hg6 s SER 56 N 0.80 6.84 -0.02 5.45 0.01 -1.26 -1.48 113.70 124.04 2hg6 s SER 56 Ca 0.34 1.03 0.03 0.00 1.31 0.00 0.00 55.95 58.66 2hg6 s SER 56 Cb -0.17 -2.43 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2hg6 s SER 56 CO 0.15 -0.44 0.86 1.33 0.41 0.00 0.00 173.24 175.55 2hg6 n VAL 57 N 5.03 0.66 0.00 3.43 0.24 -1.19 -5.00 118.33 121.50 2hg6 n VAL 57 Ca 0.04 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 2hg6 n VAL 57 Cb 0.48 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.41 0.00 0.09 7.34 0.63 -1.24 -5.02 116.66 118.05 2hg6 n ARG 58 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2hg6 n ARG 58 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 2hg6 n ARG 58 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2hg6 n ASP 59 N -1.03 -1.64 -0.03 6.15 5.68 -1.26 -4.94 116.55 119.48 2hg6 n ASP 59 Ca 0.00 0.36 0.02 0.00 -0.50 0.00 0.00 54.79 54.67 2hg6 n ASP 59 Cb 0.00 1.82 -0.12 0.00 -1.14 0.00 0.00 41.12 41.68 2hg6 n ASP 59 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2hg6 n ASP 60 N -2.84 1.48 -4.61 -1.12 2.03 -1.26 -4.93 116.55 105.30 2hg6 n ASP 60 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2hg6 n ASP 60 Cb 0.00 1.39 -0.02 0.00 -0.72 0.00 0.00 41.12 41.76 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 -2.80 3.75 0.29 5.18 1.01 -1.26 -4.47 120.40 122.09 2hg6 s VAL 61 Ca -0.06 0.79 0.10 0.00 0.00 0.00 0.00 61.98 62.80 2hg6 s VAL 61 Cb 0.08 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2hg6 s VAL 61 CO 0.62 -0.52 -0.02 -0.04 0.00 0.00 0.00 175.10 175.14 2hg6 s MET 62 N 5.03 2.16 -0.01 2.72 -1.94 0.70 -3.16 119.30 124.81 2hg6 s MET 62 Ca 0.69 -1.55 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 2hg6 s MET 62 Cb -0.19 -2.06 -0.00 0.00 2.01 0.00 0.00 34.83 34.59 2hg6 s MET 62 CO 0.31 0.29 0.03 -0.98 -0.01 0.00 0.00 175.02 174.66 2hg6 s ARG 63 N -3.67 0.13 -0.16 2.03 1.70 -0.55 -0.14 118.95 118.28 2hg6 s ARG 63 Ca 0.32 -0.11 -0.29 0.00 -0.47 0.00 0.00 55.73 55.18 2hg6 s ARG 63 Cb -0.05 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 2hg6 s ARG 63 CO 0.19 -0.02 1.74 -1.17 -1.08 0.00 0.00 175.30 174.96 2hg6 s LEU 64 N -0.37 3.98 -0.44 -1.89 1.98 0.66 0.23 118.68 122.83 2hg6 s LEU 64 Ca -0.04 1.89 -0.25 0.00 -2.89 0.00 0.00 54.13 52.84 2hg6 s LEU 64 Cb -0.03 -3.53 0.02 0.00 0.66 0.00 0.00 46.19 43.32 2hg6 s LEU 64 CO -0.00 -1.26 0.87 -0.83 -1.89 0.00 0.00 176.35 173.24 2hg6 s GLY 65 N 4.58 1.54 0.33 7.98 0.00 0.21 -4.73 107.32 117.24 2hg6 s GLY 65 Ca 0.77 -0.81 0.23 0.00 0.00 0.00 0.00 44.72 44.92 2hg6 s GLY 65 CO 0.31 1.93 1.71 0.07 0.00 0.00 0.00 173.10 177.13 2hg6 h ARG 66 N 8.93 0.00 0.00 2.90 0.11 -1.92 -2.04 114.38 122.36 2hg6 h ARG 66 Ca -0.24 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.80 2hg6 h ARG 66 Cb 1.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 2hg6 h ARG 66 CO 0.99 0.00 -0.17 1.05 0.10 0.00 0.00 179.97 181.94 2hg6 h GLU 67 N 0.00 0.00 -0.09 0.08 4.11 -1.96 -2.29 114.58 114.43 2hg6 h GLU 67 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2hg6 h GLU 67 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2hg6 h GLU 67 CO 0.00 0.17 -0.15 -0.56 0.07 0.00 0.00 179.01 178.54 2hg6 h GLN 68 N 0.00 0.14 -0.60 1.06 -0.00 -1.70 -2.49 115.11 111.53 2hg6 h GLN 68 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2hg6 h GLN 68 Cb 0.50 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 27.94 2hg6 h GLN 68 CO 0.02 0.30 0.31 -0.07 -0.00 0.00 0.00 178.83 179.39 2hg6 h LEU 69 N 0.14 0.76 -1.17 0.06 3.38 -1.61 -0.50 115.31 116.36 2hg6 h LEU 69 Ca 0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2hg6 h LEU 69 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2hg6 h LEU 69 CO 0.02 0.66 -0.18 1.56 0.09 0.00 0.00 178.44 180.59 2hg6 h GLN 70 N 0.81 0.35 -0.02 1.13 4.20 -1.53 0.56 115.11 120.61 2hg6 h GLN 70 Ca 0.21 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 2hg6 h GLN 70 Cb 0.08 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.83 2hg6 h GLN 70 CO -0.03 0.53 -0.49 0.82 -0.67 0.00 0.00 178.83 178.99 2hg6 h ILE 71 N 0.32 1.45 -0.00 2.54 2.04 -1.36 -3.33 117.51 119.17 2hg6 h ILE 71 Ca 0.06 -1.99 -0.09 0.00 1.00 0.00 0.00 64.86 63.83 2hg6 h ILE 71 Cb 0.51 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2hg6 h ILE 71 CO 0.03 0.57 -0.43 -0.07 0.00 0.00 0.00 178.15 178.26 2hg6 h LEU 72 N -0.18 0.01 -2.14 1.44 3.38 -0.76 -2.65 115.31 114.40 2hg6 h LEU 72 Ca -0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2hg6 h LEU 72 Cb 1.20 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2hg6 h LEU 72 CO 0.10 0.44 -0.07 0.17 0.09 0.00 0.00 178.44 179.16 2hg6 h LEU 73 N 0.00 0.00 -2.33 1.67 8.10 -1.00 -0.18 115.31 121.57 2hg6 h LEU 73 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 2hg6 h LEU 73 Cb 0.77 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.98 2hg6 h LEU 73 CO 0.06 0.07 -0.02 -0.33 -4.11 0.00 0.00 178.44 174.11 2hg6 h GLU 74 N 0.00 0.00 -4.62 0.17 4.39 -1.60 -3.38 114.58 109.53 2hg6 h GLU 74 Ca -0.00 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.00 2hg6 h GLU 74 Cb 0.21 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 28.62 2hg6 h GLU 74 CO 0.01 0.02 -0.53 -0.65 -1.16 0.00 0.00 179.01 176.70 2hg6 s GLN 75 N -4.01 2.87 0.00 2.33 -1.52 -0.08 -4.94 119.66 114.31 2hg6 s GLN 75 Ca -0.03 -1.05 0.24 0.00 -1.95 0.00 0.00 55.36 52.58 2hg6 s GLN 75 Cb 0.12 -3.68 1.04 0.00 -0.22 0.00 0.00 33.01 30.26 2hg6 s GLN 75 CO 0.48 -0.66 1.72 0.09 -0.25 0.00 0.00 175.29 176.67 2hg6 n ASN 76 N 4.98 1.17 -4.16 5.90 4.13 -1.26 -4.49 115.26 121.52 2hg6 n ASN 76 Ca -0.12 -1.52 -0.44 0.00 1.68 0.00 0.00 54.58 54.18 2hg6 n ASN 76 Cb 0.46 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2hg6 n ILE 77 N -0.04 4.94 -0.15 2.41 -6.64 -1.26 -4.86 119.36 113.75 2hg6 n ILE 77 Ca 0.18 -5.61 0.11 0.00 -1.77 0.00 0.00 62.75 55.65 2hg6 n ILE 77 Cb 0.27 -2.33 0.44 0.00 -1.44 0.00 0.00 39.64 36.58 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 6.03 0.50 -0.30 7.28 4.21 -1.94 0.40 115.58 131.77 2hg6 h ASN 78 Ca 0.20 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.69 2hg6 h ASN 78 Cb 0.74 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 2hg6 h ASN 78 CO 1.20 0.30 0.05 -0.08 -1.29 0.00 0.00 177.43 177.61 2hg6 h GLU 79 N 0.56 0.49 0.00 0.81 4.81 -1.89 0.60 114.58 119.96 2hg6 h GLU 79 Ca 0.32 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2hg6 h GLU 79 Cb 0.52 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2hg6 h GLU 79 CO -0.11 0.59 -0.50 -0.09 -0.73 0.00 0.00 179.01 178.17 2hg6 h ARG 80 N 0.31 0.00 0.00 1.92 2.43 -1.70 -2.98 114.38 114.37 2hg6 h ARG 80 Ca 0.09 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2hg6 h ARG 80 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2hg6 h ARG 80 CO 0.01 0.28 -0.36 1.25 -1.51 0.00 0.00 179.97 179.63 2hg6 h LEU 81 N 0.00 0.00 0.83 3.80 5.85 -0.12 -3.47 115.31 122.19 2hg6 h LEU 81 Ca -0.02 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 2hg6 h LEU 81 Cb 1.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2hg6 h LEU 81 CO 0.04 0.36 -0.22 0.59 -0.34 0.00 0.00 178.44 178.87 2hg6 n ASN 82 N -3.37 -3.97 -4.78 1.25 3.02 0.18 -4.93 115.26 102.65 2hg6 n ASN 82 Ca 0.01 0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.33 2hg6 n ASN 82 Cb 0.56 -2.67 -0.06 0.00 -0.61 0.00 0.00 39.78 37.00 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2hg6 s ILE 83 N -2.43 4.57 0.69 2.41 1.09 -1.05 -4.32 121.20 122.15 2hg6 s ILE 83 Ca 0.00 1.49 -0.13 0.00 -1.10 0.00 0.00 60.65 60.91 2hg6 s ILE 83 Cb 0.00 -4.04 0.01 0.00 -1.06 0.00 0.00 42.46 37.37 2hg6 s ILE 83 CO 0.00 0.51 1.08 -0.83 -0.10 0.00 0.00 174.94 175.60 2hg6 s GLY 84 N -0.96 1.90 0.07 6.18 0.00 -1.26 -4.84 107.32 108.40 2hg6 s GLY 84 Ca 0.33 0.33 -0.20 0.00 0.00 0.00 0.00 44.72 45.18 2hg6 s GLY 84 CO 0.23 0.66 1.52 0.83 0.00 0.00 0.00 173.10 176.33 2hg6 h GLU 85 N -0.39 0.33 -0.02 2.90 5.08 -1.97 -2.50 114.58 118.00 2hg6 h GLU 85 Ca -0.45 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 57.82 2hg6 h GLU 85 Cb 1.23 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2hg6 h GLU 85 CO 0.55 0.52 0.07 -1.35 -1.00 0.00 0.00 179.01 177.79 2hg6 h PRO 86 N 0.10 0.00 -0.26 2.33 0.11 -1.94 -0.75 132.00 131.58 2hg6 h PRO 86 Ca 0.06 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.06 2hg6 h PRO 86 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2hg6 h PRO 86 CO 0.01 0.00 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.43 2hg6 h LEU 87 N 0.00 0.55 -0.93 2.35 -0.00 -1.76 -1.77 115.31 113.75 2hg6 h LEU 87 Ca 0.01 -0.21 -0.10 0.00 -0.00 0.00 0.00 57.88 57.58 2hg6 h LEU 87 Cb 0.15 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2hg6 h LEU 87 CO -0.00 0.82 -0.33 -0.07 -0.00 0.00 0.00 178.44 178.86 2hg6 h LEU 88 N 0.47 0.38 -0.60 1.67 4.07 -1.13 -2.79 115.31 117.39 2hg6 h LEU 88 Ca 0.06 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 2hg6 h LEU 88 Cb 0.75 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 2hg6 h LEU 88 CO 0.06 0.70 0.13 0.58 -1.08 0.00 0.00 178.44 178.83 2hg6 h VAL 89 N 0.32 1.25 -0.16 1.22 2.07 -1.26 -2.47 116.25 117.22 2hg6 h VAL 89 Ca 0.04 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 2hg6 h VAL 89 Cb 0.74 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2hg6 h VAL 89 CO 0.06 0.35 -0.17 0.22 0.02 0.00 0.00 177.57 178.04 2hg6 h TYR 90 N 0.87 0.29 0.00 1.57 3.20 -1.21 -1.81 116.97 119.89 2hg6 h TYR 90 Ca 0.19 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 2hg6 h TYR 90 Cb 0.37 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2hg6 h TYR 90 CO 0.03 0.44 -0.30 1.25 -1.64 0.00 0.00 178.16 177.93 2hg6 h LEU 91 N 0.26 0.00 -0.14 2.82 6.46 -1.19 -3.16 115.31 120.35 2hg6 h LEU 91 Ca 0.05 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 2hg6 h LEU 91 Cb 0.46 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2hg6 h LEU 91 CO 0.03 0.30 -0.10 0.03 -0.62 0.00 0.00 178.44 178.08 2hg6 h ARG 92 N 0.00 0.32 -2.57 1.25 3.08 -0.89 -3.47 114.38 112.09 2hg6 h ARG 92 Ca -0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2hg6 h ARG 92 Cb 0.73 -0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.63 2hg6 h ARG 92 CO 0.04 0.68 0.27 -0.98 -1.07 0.00 0.00 179.97 178.90 2hg6 s ARG 93 N -4.44 1.12 0.39 0.04 1.70 -1.18 -5.14 118.95 111.44 2hg6 s ARG 93 Ca -0.14 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 54.91 2hg6 s ARG 93 Cb 0.05 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.94 2hg6 s ARG 93 CO 0.74 -0.45 0.58 1.14 -1.08 0.00 0.00 175.30 176.23 2hg6 s GLN 94 N -2.90 3.15 0.29 3.89 0.00 -1.26 -4.51 119.66 118.32 2hg6 s GLN 94 Ca -0.01 -0.64 0.00 0.00 -0.00 0.00 0.00 55.36 54.71 2hg6 s GLN 94 Cb -0.01 -2.67 0.00 0.00 0.00 0.00 0.00 33.01 30.34 2hg6 s GLN 94 CO -0.06 -0.08 0.00 -3.47 0.00 0.00 0.00 175.29 171.68 2hg6 n ASP 95 N -1.88 -1.02 -4.66 12.60 -0.08 -1.26 -4.99 116.55 115.26 2hg6 n ASP 95 Ca -0.00 0.52 -0.43 0.00 -1.51 0.00 0.00 54.79 53.37 2hg6 n ASP 95 Cb 0.58 1.12 -0.02 0.00 2.34 0.00 0.00 41.12 45.13 2hg6 n ASP 95 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2hg6 s LEU 96 N -6.69 4.12 0.18 -2.67 1.43 -1.26 -4.95 118.68 108.84 2hg6 s LEU 96 Ca 0.00 1.37 -0.13 0.00 -1.03 0.00 0.00 54.13 54.34 2hg6 s LEU 96 Cb 0.00 -3.51 0.11 0.00 0.03 0.00 0.00 46.19 42.82 2hg6 s LEU 96 CO 0.00 -0.62 1.81 -0.65 0.23 0.00 0.00 176.35 177.12 2hg6 h PRO 97 N 7.41 0.58 -3.29 1.29 0.11 -2.05 -3.39 132.00 132.67 2hg6 h PRO 97 Ca -0.21 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.37 2hg6 h PRO 97 Cb 1.08 -0.13 -0.40 0.00 0.11 0.00 0.00 31.00 31.65 2hg6 h PRO 97 CO 0.95 0.38 -0.76 -1.21 -0.21 0.00 0.00 178.00 177.16 2hg6 s GLU 98 N -6.14 0.36 -0.56 1.05 2.02 -1.26 -5.10 118.70 109.07 2hg6 s GLU 98 Ca -0.13 -0.27 -0.26 0.00 0.02 0.00 0.00 54.97 54.33 2hg6 s GLU 98 Cb 0.13 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.44 2hg6 s GLU 98 CO 0.74 -0.67 1.06 0.42 0.02 0.00 0.00 175.26 176.83 2hg6 s ILE 99 N 2.00 4.22 -0.02 -1.63 1.01 -1.26 -5.01 121.20 120.50 2hg6 s ILE 99 Ca 0.01 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.29 2hg6 s ILE 99 Cb -0.17 -4.62 -0.03 0.00 0.01 0.00 0.00 42.46 37.65 2hg6 s ILE 99 CO -0.09 -1.20 -0.05 0.42 0.00 0.00 0.00 174.94 174.02 2hg6 s THR 100 N 4.41 3.82 -0.12 2.92 -4.23 -1.26 -0.25 115.64 120.93 2hg6 s THR 100 Ca 0.37 -0.64 -0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2hg6 s THR 100 Cb -0.10 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.11 2hg6 s THR 100 CO 0.23 0.44 -0.10 0.00 -0.54 0.00 0.00 174.62 174.65 2hg6 s ALA 101 N -0.98 1.50 -0.24 3.99 0.00 0.80 -4.97 121.76 121.85 2hg6 s ALA 101 Ca 0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 2hg6 s ALA 101 Cb -0.11 -0.95 0.13 0.00 0.00 0.00 0.00 23.12 22.18 2hg6 s ALA 101 CO 0.07 -0.40 0.47 1.14 0.00 0.00 0.00 175.76 177.05 2hg6 s GLN 102 N 1.62 0.41 -1.07 0.00 -2.07 -1.26 -0.21 119.66 117.08 2hg6 s GLN 102 Ca 0.05 0.96 -0.05 0.00 -1.82 0.00 0.00 55.36 54.50 2hg6 s GLN 102 Cb -0.13 0.23 0.11 0.00 -1.09 0.00 0.00 33.01 32.13 2hg6 s GLN 102 CO -0.09 -0.42 2.48 -2.13 -1.32 0.00 0.00 175.29 173.82 2hg6 n ARG 103 N 5.40 4.00 0.04 9.60 0.63 -1.26 -4.28 116.66 130.79 2hg6 n ARG 103 Ca -0.06 -3.18 -0.00 0.00 -0.92 0.00 0.00 57.85 53.68 2hg6 n ARG 103 Cb 0.50 -2.49 -0.00 0.00 0.45 0.00 0.00 32.46 30.92 2hg6 n ARG 103 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2hg6 n GLN 104 N 1.43 0.01 -2.87 -0.14 1.13 -1.26 -5.03 117.38 110.64 2hg6 n GLN 104 Ca 0.58 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 55.45 2hg6 n GLN 104 Cb 0.33 -0.51 0.03 0.00 0.11 0.00 0.00 30.24 30.20 2hg6 n GLN 104 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2hg6 n LEU 105 N -3.41 -2.48 0.00 1.08 4.77 -1.26 -5.26 117.00 110.44 2hg6 n LEU 105 Ca -0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2hg6 n LEU 105 Cb 0.11 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 38.58 2hg6 n LEU 105 CO 0.00 0.18 0.11 0.54 -1.33 0.00 0.00 177.39 176.89