#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgm s PHE 2 N 0.00 2.65 -0.09 3.17 0.08 -1.26 -4.99 117.98 117.54 3hgm s PHE 2 Ca 0.00 -1.99 0.15 0.00 0.12 0.00 0.00 56.93 55.21 3hgm s PHE 2 Cb 0.00 -1.79 -0.14 0.00 -0.57 0.00 0.00 43.02 40.52 3hgm s PHE 2 CO 0.00 -0.82 0.91 -0.91 -0.10 0.00 0.00 175.22 174.30 3hgm h ASN 3 N 7.90 0.00 -2.78 1.36 2.35 -1.93 -3.38 115.58 119.10 3hgm h ASN 3 Ca -0.16 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.14 3hgm h ASN 3 Cb 1.06 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 39.04 3hgm h ASN 3 CO 0.44 0.70 -0.73 -0.60 -1.65 0.00 0.00 177.43 175.59 3hgm s ARG 4 N -2.84 0.15 -0.17 0.81 3.52 -1.26 -0.66 118.95 118.50 3hgm s ARG 4 Ca -0.02 -0.18 -0.07 0.00 -0.13 0.00 0.00 55.73 55.33 3hgm s ARG 4 Cb 0.08 -1.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.05 3hgm s ARG 4 CO 0.81 -0.82 0.06 0.42 -0.81 0.00 0.00 175.30 174.96 3hgm s ILE 5 N 2.18 4.82 -0.11 4.11 1.01 0.37 -1.30 121.20 132.29 3hgm s ILE 5 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 3hgm s ILE 5 Cb -0.16 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 3hgm s ILE 5 CO -0.21 0.48 -0.03 -0.32 0.00 0.00 0.00 174.94 174.87 3hgm s MET 6 N 0.17 3.26 -0.31 2.79 -2.45 0.21 0.05 119.30 123.01 3hgm s MET 6 Ca 0.05 -0.48 0.03 0.00 -1.25 0.00 0.00 55.69 54.04 3hgm s MET 6 Cb -0.12 -2.82 0.09 0.00 1.25 0.00 0.00 34.83 33.23 3hgm s MET 6 CO 0.00 0.49 0.01 0.08 1.05 0.00 0.00 175.02 176.65 3hgm s VAL 7 N -0.32 2.04 -0.03 10.11 1.01 0.27 -0.25 120.40 133.23 3hgm s VAL 7 Ca 0.06 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 59.77 3hgm s VAL 7 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3hgm s VAL 7 CO 0.02 -0.42 1.29 -2.84 0.00 0.00 0.00 175.10 173.15 3hgm s PRO 8 N 1.07 4.32 0.03 2.72 0.02 -1.24 -2.01 135.00 139.91 3hgm s PRO 8 Ca 0.04 1.80 0.07 0.00 0.02 0.00 0.00 61.00 62.94 3hgm s PRO 8 Cb -0.19 -3.55 -0.02 0.00 0.02 0.00 0.00 34.50 30.75 3hgm s PRO 8 CO -0.09 -0.49 -0.22 0.14 -0.33 0.00 0.00 177.00 176.01 3hgm s VAL 9 N 2.24 1.75 -0.00 3.83 -7.23 0.29 -4.66 120.40 116.62 3hgm s VAL 9 Ca 0.59 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 3hgm s VAL 9 Cb -0.28 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.17 3hgm s VAL 9 CO 0.24 0.29 0.83 -0.90 -0.31 0.00 0.00 175.10 175.25 3hgm n ASP 10 N 1.98 1.29 0.00 4.85 5.75 -1.26 -4.17 116.55 124.99 3hgm n ASP 10 Ca -0.17 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 3hgm n ASP 10 Cb 0.53 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3hgm n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hgm n GLY 11 N -0.35 0.82 3.91 6.12 0.00 -1.26 -4.85 105.19 109.57 3hgm n GLY 11 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3hgm n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hgm s SER 12 N -2.78 6.11 0.31 1.61 1.04 -1.26 -4.98 113.70 113.74 3hgm s SER 12 Ca 0.00 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3hgm s SER 12 Cb 0.00 -2.13 0.50 0.00 0.10 0.00 0.00 66.02 64.49 3hgm s SER 12 CO 0.00 -0.70 1.90 0.11 0.98 0.00 0.00 173.24 175.52 3hgm h LYS 13 N 0.11 0.81 -0.97 4.02 1.57 -1.92 -2.13 116.57 118.06 3hgm h LYS 13 Ca -0.46 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.22 3hgm h LYS 13 Cb 1.22 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 3hgm h LYS 13 CO 0.61 0.66 0.64 0.78 -0.57 0.00 0.00 179.45 181.58 3hgm h GLY 14 N 0.93 1.39 1.75 3.86 0.00 -1.84 -1.92 103.07 107.24 3hgm h GLY 14 Ca 0.19 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3hgm h GLY 14 CO -0.02 0.46 -0.40 0.00 0.00 0.00 0.00 176.54 176.57 3hgm h ALA 15 N 1.38 1.09 -0.42 3.60 0.00 -1.62 -1.81 119.26 121.48 3hgm h ALA 15 Ca 0.37 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hgm h ALA 15 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hgm h ALA 15 CO -0.10 0.59 0.14 0.28 0.00 0.00 0.00 179.25 180.16 3hgm h VAL 16 N 0.23 1.21 -0.51 0.00 2.07 -0.78 -0.52 116.25 117.94 3hgm h VAL 16 Ca 0.02 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 3hgm h VAL 16 Cb 0.81 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3hgm h VAL 16 CO 0.06 0.25 0.08 0.11 0.02 0.00 0.00 177.57 178.09 3hgm h LYS 17 N 0.54 0.81 -0.35 1.57 1.79 -1.20 -1.37 116.57 118.35 3hgm h LYS 17 Ca 0.14 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3hgm h LYS 17 Cb 0.24 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 3hgm h LYS 17 CO -0.01 0.76 0.20 0.00 -1.08 0.00 0.00 179.45 179.33 3hgm h ALA 18 N 1.31 0.45 -0.78 3.86 0.00 -1.10 -2.54 119.26 120.46 3hgm h ALA 18 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hgm h ALA 18 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3hgm h ALA 18 CO 0.01 -0.04 0.51 1.25 0.00 0.00 0.00 179.25 180.98 3hgm h LEU 19 N 0.45 0.85 -0.94 0.00 5.85 -0.68 -0.24 115.31 120.60 3hgm h LEU 19 Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hgm h LEU 19 Cb 0.04 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3hgm h LEU 19 CO -0.02 0.60 0.61 -0.33 -0.34 0.00 0.00 178.44 178.95 3hgm h GLU 20 N 1.01 1.26 -0.18 1.25 5.08 -1.07 0.11 114.58 122.04 3hgm h GLU 20 Ca 0.30 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.37 3hgm h GLU 20 Cb -0.04 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.94 3hgm h GLU 20 CO -0.09 0.85 -0.69 0.87 -1.00 0.00 0.00 179.01 178.94 3hgm h LYS 21 N 1.29 0.73 -0.82 2.33 1.79 -1.12 -2.11 116.57 118.65 3hgm h LYS 21 Ca 0.34 -0.54 0.05 0.00 -2.18 0.00 0.00 60.65 58.32 3hgm h LYS 21 Cb -0.12 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 3hgm h LYS 21 CO -0.07 1.16 0.51 0.78 -1.08 0.00 0.00 179.45 180.75 3hgm h GLY 22 N 0.77 1.21 0.91 3.86 0.00 -0.51 -1.38 103.07 107.93 3hgm h GLY 22 Ca -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3hgm h GLY 22 CO 0.14 0.28 0.08 -2.08 0.00 0.00 0.00 176.54 174.96 3hgm h VAL 23 N 0.95 1.22 -0.52 4.60 2.07 -0.77 -0.38 116.25 123.42 3hgm h VAL 23 Ca 0.35 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 67.21 3hgm h VAL 23 Cb 0.12 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3hgm h VAL 23 CO -0.15 0.25 0.10 1.23 0.02 0.00 0.00 177.57 179.02 3hgm h GLY 24 N 0.38 0.64 1.67 2.17 0.00 -0.90 -0.22 103.07 106.81 3hgm h GLY 24 Ca 0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 3hgm h GLY 24 CO 0.00 -0.09 -0.47 1.41 0.00 0.00 0.00 176.54 177.40 3hgm h LEU 25 N 0.23 0.38 -0.48 3.11 3.38 -1.16 -2.53 115.31 118.25 3hgm h LEU 25 Ca 0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hgm h LEU 25 Cb 0.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hgm h LEU 25 CO -0.35 0.80 0.29 -0.61 0.09 0.00 0.00 178.44 178.66 3hgm h GLN 26 N 0.29 0.64 0.00 1.13 -0.00 -0.16 -1.64 115.11 115.37 3hgm h GLN 26 Ca 0.02 -0.06 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 3hgm h GLN 26 Cb 0.93 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 28.27 3hgm h GLN 26 CO 0.08 0.46 -0.32 1.96 0.00 0.00 0.00 178.83 181.01 3hgm h GLN 27 N 0.64 0.00 0.01 1.69 1.08 -0.94 0.62 115.11 118.21 3hgm h GLN 27 Ca 0.17 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.17 3hgm h GLN 27 Cb -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3hgm h GLN 27 CO -0.03 0.32 -0.93 1.25 -0.95 0.00 0.00 178.83 178.49 3hgm h LEU 28 N 0.00 0.10 0.00 1.46 5.85 -1.18 -3.37 115.31 118.16 3hgm h LEU 28 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hgm h LEU 28 Cb 0.62 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3hgm h LEU 28 CO 0.04 0.97 -1.12 0.35 -0.34 0.00 0.00 178.44 178.34 3hgm n THR 29 N -3.52 0.00 -1.80 1.05 -2.24 -0.64 -5.00 114.28 102.14 3hgm n THR 29 Ca -0.02 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 3hgm n THR 29 Cb 0.86 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 3hgm n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgm n GLY 30 N 1.66 0.61 3.77 3.38 0.00 0.21 -4.92 105.19 109.91 3hgm n GLY 30 Ca -0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3hgm n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgm s ALA 31 N -2.55 2.32 0.33 4.61 0.00 -1.17 -5.02 121.76 120.28 3hgm s ALA 31 Ca 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.98 3hgm s ALA 31 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 3hgm s ALA 31 CO 0.00 -1.64 1.13 -1.21 0.00 0.00 0.00 175.76 174.03 3hgm s GLU 32 N -4.79 4.43 -0.22 0.00 2.02 0.16 -4.92 118.70 115.39 3hgm s GLU 32 Ca 0.62 1.81 -0.02 0.00 0.02 0.00 0.00 54.97 57.39 3hgm s GLU 32 Cb -0.17 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3hgm s GLU 32 CO 0.54 0.02 -0.08 -1.17 0.02 0.00 0.00 175.26 174.59 3hgm s LEU 33 N -1.86 2.78 -0.28 1.80 2.96 0.13 -0.47 118.68 123.75 3hgm s LEU 33 Ca 0.49 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 3hgm s LEU 33 Cb -0.31 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3hgm s LEU 33 CO 0.40 -0.04 0.06 -0.31 -1.32 0.00 0.00 176.35 175.14 3hgm s TYR 34 N 1.41 3.12 -0.19 5.38 1.51 0.11 -1.41 117.35 127.28 3hgm s TYR 34 Ca 0.05 -0.97 -0.09 0.00 -1.01 0.00 0.00 57.07 55.05 3hgm s TYR 34 Cb -0.14 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.44 3hgm s TYR 34 CO -0.06 -0.56 0.11 0.42 -1.11 0.00 0.00 175.55 174.35 3hgm s ILE 35 N 1.49 5.25 -0.06 2.71 1.01 0.48 -0.57 121.20 131.52 3hgm s ILE 35 Ca 0.03 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.82 3hgm s ILE 35 Cb -0.17 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.95 3hgm s ILE 35 CO 0.01 0.47 -0.07 -0.22 0.00 0.00 0.00 174.94 175.13 3hgm s LEU 36 N 0.20 1.36 -0.15 2.97 2.96 -0.85 0.09 118.68 125.26 3hgm s LEU 36 Ca 0.08 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3hgm s LEU 36 Cb -0.11 -0.60 0.01 0.00 0.50 0.00 0.00 46.19 45.99 3hgm s LEU 36 CO -0.01 -0.04 -0.21 0.00 -1.32 0.00 0.00 176.35 174.76 3hgm s VAL 38 N 0.95 5.44 -0.08 0.00 1.01 -1.26 -2.15 120.40 124.30 3hgm s VAL 38 Ca -0.04 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3hgm s VAL 38 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3hgm s VAL 38 CO -0.05 0.49 -0.10 0.72 0.00 0.00 0.00 175.10 176.16 3hgm s PHE 39 N -0.04 2.85 -0.20 5.22 -0.12 -0.05 -4.95 117.98 120.70 3hgm s PHE 39 Ca 0.10 -0.18 -0.29 0.00 -0.05 0.00 0.00 56.93 56.50 3hgm s PHE 39 Cb -0.11 -1.74 0.00 0.00 -0.63 0.00 0.00 43.02 40.54 3hgm s PHE 39 CO -0.00 0.15 1.07 0.15 -0.05 0.00 0.00 175.22 176.54 3hgm s LYS 40 N -0.45 4.28 0.66 1.99 1.02 -1.26 -1.37 119.74 124.61 3hgm s LYS 40 Ca 0.06 1.41 -0.08 0.00 0.02 0.00 0.00 55.97 57.38 3hgm s LYS 40 Cb -0.12 -3.64 0.03 0.00 -0.52 0.00 0.00 37.83 33.57 3hgm s LYS 40 CO 0.02 -0.60 0.99 -3.38 -0.92 0.00 0.00 175.35 171.46 3hgm s HIS 41 N 3.09 3.19 0.17 3.18 -3.43 -1.26 -4.83 115.29 115.39 3hgm s HIS 41 Ca 0.46 0.72 -0.15 0.00 -0.80 0.00 0.00 55.06 55.29 3hgm s HIS 41 Cb -0.16 -2.97 0.11 0.00 -1.43 0.00 0.00 32.58 28.13 3hgm s HIS 41 CO 0.09 -1.10 1.72 1.25 -2.00 0.00 0.00 174.74 174.70 3hgm h HIS 42 N -0.44 0.12 -0.37 0.38 2.76 -1.96 -0.60 115.15 115.05 3hgm h HIS 42 Ca -0.45 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 57.74 3hgm h HIS 42 Cb 1.27 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 3hgm h HIS 42 CO 0.44 0.01 0.22 0.77 -1.30 0.00 0.00 177.93 178.07 3hgm h SER 43 N 0.20 0.43 -0.13 3.26 0.02 -1.95 -1.45 113.55 113.93 3hgm h SER 43 Ca 0.19 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3hgm h SER 43 Cb 0.24 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3hgm h SER 43 CO -0.26 0.33 -0.10 0.25 -1.14 0.00 0.00 176.83 175.91 3hgm h LEU 44 N 0.50 0.32 -1.52 5.07 5.85 -1.50 -0.82 115.31 123.21 3hgm h LEU 44 Ca 0.13 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3hgm h LEU 44 Cb -0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hgm h LEU 44 CO -0.03 0.71 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.62 3hgm h LEU 45 N -0.07 0.19 -1.90 2.25 -0.00 -1.14 -2.59 115.31 112.04 3hgm h LEU 45 Ca 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3hgm h LEU 45 Cb 0.60 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3hgm h LEU 45 CO 0.03 0.31 0.00 -0.62 -0.00 0.00 0.00 178.44 178.15 3hgm n GLU 46 N -4.33 2.25 -0.07 1.13 -0.58 -0.57 -4.63 120.64 113.84 3hgm n GLU 46 Ca -0.01 -1.88 -0.12 0.00 -0.42 0.00 0.00 57.16 54.73 3hgm n GLU 46 Cb 0.23 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 3hgm n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hgm h ALA 47 N 4.35 0.26 -1.03 0.62 0.00 -0.72 -3.32 119.26 119.42 3hgm h ALA 47 Ca 0.00 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 54.09 3hgm h ALA 47 Cb 0.82 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.13 3hgm h ALA 47 CO 0.00 0.02 -0.60 0.43 0.00 0.00 0.00 179.25 179.10 3hgm n SER 48 N -4.66 5.15 -4.89 0.00 7.64 -1.26 -5.05 113.62 110.55 3hgm n SER 48 Ca -0.05 -3.75 -0.35 0.00 1.01 0.00 0.00 58.87 55.73 3hgm n SER 48 Cb 0.26 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 3hgm n SER 48 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hgm s LEU 49 N -3.61 4.38 0.18 -3.43 1.02 -1.25 -4.99 118.68 110.98 3hgm s LEU 49 Ca 0.51 0.47 0.23 0.00 0.02 0.00 0.00 54.13 55.36 3hgm s LEU 49 Cb 0.41 -2.40 0.15 0.00 0.02 0.00 0.00 46.19 44.38 3hgm s LEU 49 CO -0.06 0.32 1.19 0.77 0.02 0.00 0.00 176.35 178.59 3hgm h SER 50 N 4.37 0.00 -4.62 2.29 4.64 -1.96 -3.47 113.55 114.80 3hgm h SER 50 Ca -0.52 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 60.59 3hgm h SER 50 Cb 1.21 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.09 3hgm h SER 50 CO 0.64 0.05 -0.22 0.00 -0.87 0.00 0.00 176.83 176.42 3hgm s MET 51 N -3.27 0.64 0.68 4.77 0.00 -1.26 -5.16 119.30 115.70 3hgm s MET 51 Ca 0.03 0.10 -0.17 0.00 0.00 0.00 0.00 55.69 55.64 3hgm s MET 51 Cb 0.11 0.29 0.01 0.00 0.00 0.00 0.00 34.83 35.24 3hgm s MET 51 CO 0.76 -0.16 1.24 0.00 0.00 0.00 0.00 175.02 176.86 3hgm n ALA 52 N 1.76 0.80 -1.78 3.16 0.00 -1.26 -4.98 120.51 118.22 3hgm n ALA 52 Ca -0.19 -0.07 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 3hgm n ALA 52 Cb 0.56 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.68 3hgm n ALA 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hgm s ARG 53 N -3.47 4.33 0.73 0.00 0.52 -1.26 -5.02 118.95 114.78 3hgm s ARG 53 Ca 0.80 1.55 -0.15 0.00 -0.52 0.00 0.00 55.73 57.41 3hgm s ARG 53 Cb -0.36 -2.72 0.04 0.00 0.52 0.00 0.00 34.95 32.42 3hgm s ARG 53 CO 0.43 -0.00 1.24 -2.14 0.02 0.00 0.00 175.30 174.85 3hgm s PRO 54 N -2.19 2.06 0.27 3.54 0.02 -1.26 -4.70 135.00 132.73 3hgm s PRO 54 Ca 0.54 1.89 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 3hgm s PRO 54 Cb -0.24 -1.81 0.54 0.00 0.02 0.00 0.00 34.50 33.02 3hgm s PRO 54 CO 0.30 -1.93 1.61 1.49 -0.33 0.00 0.00 177.00 178.14 3hgm h GLU 55 N -0.24 0.07 0.00 5.54 4.22 -1.95 0.26 114.58 122.47 3hgm h GLU 55 Ca -0.48 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.93 3hgm h GLU 55 Cb 1.31 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3hgm h GLU 55 CO 0.49 0.04 -0.11 0.37 -2.18 0.00 0.00 179.01 177.63 3hgm h GLN 56 N 0.07 0.00 0.00 1.92 4.15 -2.05 -2.06 115.11 117.15 3hgm h GLN 56 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.90 3hgm h GLN 56 Cb 0.89 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.58 3hgm h GLN 56 CO -0.78 0.11 -1.36 1.28 -1.93 0.00 0.00 178.83 176.15 3hgm n LEU 57 N -3.53 0.48 -4.57 -2.39 4.32 -0.05 -4.77 117.00 106.50 3hgm n LEU 57 Ca -0.02 -0.01 -0.39 0.00 -0.02 0.00 0.00 56.01 55.57 3hgm n LEU 57 Cb 0.24 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 41.98 3hgm n LEU 57 CO 0.29 0.02 1.75 -0.62 -1.22 0.00 0.00 177.39 177.61 3hgm s ASP 58 N -4.25 6.32 -0.14 -1.43 2.15 -0.46 -4.95 116.67 113.91 3hgm s ASP 58 Ca -0.01 -1.99 -0.27 0.00 0.43 0.00 0.00 52.55 50.72 3hgm s ASP 58 Cb 0.14 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 40.16 3hgm s ASP 58 CO 0.85 -1.70 0.89 -0.63 -0.17 0.00 0.00 175.17 174.40 3hgm s ILE 59 N 6.04 4.86 0.70 4.11 -1.09 -1.26 -4.98 121.20 129.58 3hgm s ILE 59 Ca 0.56 1.77 -0.13 0.00 -2.23 0.00 0.00 60.65 60.63 3hgm s ILE 59 Cb 0.02 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.72 3hgm s ILE 59 CO 0.05 0.04 1.09 -2.16 -1.23 0.00 0.00 174.94 172.73 3hgm s PRO 60 N 1.98 2.66 0.43 2.79 0.04 -1.26 -4.78 135.00 136.85 3hgm s PRO 60 Ca 0.42 1.24 0.13 0.00 0.04 0.00 0.00 61.00 62.83 3hgm s PRO 60 Cb -0.17 -1.94 1.01 0.00 0.04 0.00 0.00 34.50 33.43 3hgm s PRO 60 CO 0.15 -1.34 1.97 -0.44 0.04 0.00 0.00 177.00 177.38 3hgm h ASP 61 N -0.46 0.40 -0.30 6.66 5.19 -1.96 -1.33 116.42 124.62 3hgm h ASP 61 Ca -0.45 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 55.88 3hgm h ASP 61 Cb 1.23 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 3hgm h ASP 61 CO 0.54 0.24 -0.12 -2.24 -3.12 0.00 0.00 179.24 174.53 3hgm h ASP 62 N 0.44 0.71 -0.19 6.45 2.03 -1.99 0.21 116.42 124.09 3hgm h ASP 62 Ca 0.29 -0.21 -0.20 0.00 -0.73 0.00 0.00 57.03 56.18 3hgm h ASP 62 Cb 0.56 -0.19 0.01 0.00 -0.83 0.00 0.00 39.33 38.87 3hgm h ASP 62 CO -0.09 0.86 -0.67 0.00 -1.03 0.00 0.00 179.24 178.31 3hgm h ALA 63 N 1.21 0.33 -0.72 4.15 0.00 -1.63 -0.22 119.26 122.38 3hgm h ALA 63 Ca 0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3hgm h ALA 63 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hgm h ALA 63 CO 0.04 0.64 0.37 -0.07 0.00 0.00 0.00 179.25 180.22 3hgm h LEU 64 N 0.52 0.93 -0.39 0.00 3.38 -1.27 -1.96 115.31 116.52 3hgm h LEU 64 Ca -0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3hgm h LEU 64 Cb 1.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3hgm h LEU 64 CO 0.14 0.78 0.03 0.50 0.09 0.00 0.00 178.44 179.99 3hgm h LYS 65 N 1.00 0.67 -0.95 1.13 3.64 -0.89 -2.48 116.57 118.70 3hgm h LYS 65 Ca 0.25 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3hgm h LYS 65 Cb 0.08 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 3hgm h LYS 65 CO -0.04 0.75 0.61 -0.44 -2.27 0.00 0.00 179.45 178.06 3hgm h ASP 66 N 0.51 0.99 -0.50 4.20 3.32 -0.85 -0.09 116.42 124.00 3hgm h ASP 66 Ca 0.12 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3hgm h ASP 66 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3hgm h ASP 66 CO 0.01 0.66 0.11 0.22 -1.72 0.00 0.00 179.24 178.52 3hgm h TYR 67 N 1.14 0.86 -0.69 4.55 3.20 -1.24 -1.07 116.97 123.73 3hgm h TYR 67 Ca 0.39 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 3hgm h TYR 67 Cb 0.09 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3hgm h TYR 67 CO -0.01 0.77 0.19 0.00 -1.64 0.00 0.00 178.16 177.47 3hgm h ALA 68 N 0.99 1.04 -0.41 1.82 0.00 -0.99 -2.06 119.26 119.64 3hgm h ALA 68 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hgm h ALA 68 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hgm h ALA 68 CO 0.00 0.64 0.21 1.15 0.00 0.00 0.00 179.25 181.26 3hgm h THR 69 N 1.03 1.16 -0.62 0.00 2.02 -0.78 -0.11 112.91 115.61 3hgm h THR 69 Ca 0.22 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.99 3hgm h THR 69 Cb 0.33 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3hgm h THR 69 CO -0.00 0.18 0.37 -0.08 0.37 0.00 0.00 175.52 176.35 3hgm h GLU 70 N 0.53 0.69 -0.16 6.66 4.81 -0.96 0.50 114.58 126.65 3hgm h GLU 70 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3hgm h GLU 70 Cb 0.09 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3hgm h GLU 70 CO -0.02 0.46 0.06 0.82 -0.73 0.00 0.00 179.01 179.60 3hgm h ILE 71 N 0.71 1.16 -0.68 2.32 2.04 -1.06 -1.00 117.51 121.01 3hgm h ILE 71 Ca 0.26 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3hgm h ILE 71 Cb 0.07 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3hgm h ILE 71 CO -0.13 0.15 0.20 0.00 0.00 0.00 0.00 178.15 178.37 3hgm h ALA 72 N 0.90 0.89 -0.47 1.87 0.00 -0.76 -1.33 119.26 120.37 3hgm h ALA 72 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3hgm h ALA 72 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hgm h ALA 72 CO -0.00 0.58 -0.01 0.28 0.00 0.00 0.00 179.25 180.09 3hgm h VAL 73 N 0.99 1.26 -0.70 0.00 2.07 -0.85 -1.69 116.25 117.35 3hgm h VAL 73 Ca 0.22 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3hgm h VAL 73 Cb 0.32 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3hgm h VAL 73 CO -0.00 0.38 0.46 -0.61 0.02 0.00 0.00 177.57 177.81 3hgm h GLN 74 N 0.69 0.92 -0.57 1.57 5.75 -1.03 -0.59 115.11 121.86 3hgm h GLN 74 Ca 0.13 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 3hgm h GLN 74 Cb 0.53 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3hgm h GLN 74 CO 0.03 0.61 0.32 0.00 -2.65 0.00 0.00 178.83 177.13 3hgm h ALA 75 N 1.25 0.73 -0.69 3.38 0.00 -1.02 0.13 119.26 123.05 3hgm h ALA 75 Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hgm h ALA 75 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3hgm h ALA 75 CO -0.06 0.24 0.35 -0.22 0.00 0.00 0.00 179.25 179.56 3hgm h LYS 76 N 0.77 0.98 -0.10 0.00 3.64 -1.02 0.14 116.57 120.97 3hgm h LYS 76 Ca 0.20 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hgm h LYS 76 Cb 0.04 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3hgm h LYS 76 CO -0.03 0.76 0.06 1.15 -2.27 0.00 0.00 179.45 179.12 3hgm h THR 77 N 0.95 1.02 -0.78 1.00 2.02 -0.76 -1.87 112.91 114.49 3hgm h THR 77 Ca 0.24 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 3hgm h THR 77 Cb 0.09 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3hgm h THR 77 CO -0.03 0.02 0.29 -0.09 0.37 0.00 0.00 175.52 176.08 3hgm h ARG 78 N 0.13 1.19 -0.51 6.66 9.65 -0.45 -1.18 114.38 129.87 3hgm h ARG 78 Ca 0.04 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 58.71 3hgm h ARG 78 Cb -0.02 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.35 3hgm h ARG 78 CO -0.01 0.97 0.31 0.00 2.80 0.00 0.00 179.97 184.05 3hgm h ALA 79 N 1.16 0.65 -0.61 2.80 0.00 -0.59 -2.17 119.26 120.51 3hgm h ALA 79 Ca 0.26 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3hgm h ALA 79 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hgm h ALA 79 CO -0.02 0.03 -0.01 1.15 0.00 0.00 0.00 179.25 180.40 3hgm h THR 80 N 0.63 1.27 -0.69 0.00 2.02 -1.01 -2.40 112.91 112.72 3hgm h THR 80 Ca 0.20 -1.17 0.14 0.00 0.77 0.00 0.00 66.41 66.35 3hgm h THR 80 Cb -0.00 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 3hgm h THR 80 CO -0.08 0.43 0.19 -0.33 0.37 0.00 0.00 175.52 176.09 3hgm h GLU 81 N 0.98 0.30 -0.00 6.66 5.08 -0.96 -2.32 114.58 124.31 3hgm h GLU 81 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hgm h GLU 81 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hgm h GLU 81 CO 0.03 0.20 0.00 1.28 -1.00 0.00 0.00 179.01 179.52 3hgm n LEU 82 N -5.11 0.10 0.00 1.33 4.77 -0.84 -4.87 117.00 112.38 3hgm n LEU 82 Ca 0.12 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hgm n LEU 82 Cb 0.40 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3hgm n LEU 82 CO 0.15 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3hgm n GLY 83 N 0.93 1.71 3.69 -0.72 0.00 -0.87 -5.02 105.19 104.91 3hgm n GLY 83 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3hgm n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hgm s VAL 84 N -1.20 3.40 0.23 1.61 1.01 -0.94 -4.95 120.40 119.57 3hgm s VAL 84 Ca 0.00 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 62.51 3hgm s VAL 84 Cb 0.00 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 3hgm s VAL 84 CO 0.00 0.01 1.38 -2.65 0.00 0.00 0.00 175.10 173.84 3hgm n PRO 85 N 5.29 1.95 -0.25 2.72 -0.02 -1.26 -4.13 135.00 139.30 3hgm n PRO 85 Ca 0.14 0.69 0.05 0.00 -2.02 0.00 0.00 63.50 62.36 3hgm n PRO 85 Cb 0.42 -2.34 0.17 0.00 -0.02 0.00 0.00 33.50 31.74 3hgm n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hgm h ALA 86 N 4.14 0.99 0.00 3.55 0.00 -1.92 0.13 119.26 126.15 3hgm h ALA 86 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hgm h ALA 86 Cb 1.28 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hgm h ALA 86 CO 0.75 -0.25 0.00 0.38 0.00 0.00 0.00 179.25 180.13 3hgm h ASP 87 N 0.38 0.00 0.36 0.00 2.03 -2.03 -2.54 116.42 114.62 3hgm h ASP 87 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 3hgm h ASP 87 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 3hgm h ASP 87 CO -0.42 0.00 -0.63 0.29 -1.03 0.00 0.00 179.24 177.45 3hgm n LYS 88 N -2.42 0.02 -4.63 4.15 4.76 0.02 -4.86 118.16 115.21 3hgm n LYS 88 Ca 0.01 -0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 3hgm n LYS 88 Cb 0.20 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.73 3hgm n LYS 88 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hgm s VAL 89 N -2.99 2.18 -0.01 -0.18 0.11 -0.96 0.22 120.40 118.77 3hgm s VAL 89 Ca 0.10 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.27 3hgm s VAL 89 Cb 0.17 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.13 3hgm s VAL 89 CO 0.74 0.54 -0.19 -0.13 -3.33 0.00 0.00 175.10 172.73 3hgm s ARG 90 N 0.83 1.53 -0.07 1.54 0.52 -0.50 -4.92 118.95 117.87 3hgm s ARG 90 Ca -0.06 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 3hgm s ARG 90 Cb -0.15 -1.48 -0.03 0.00 0.52 0.00 0.00 34.95 33.80 3hgm s ARG 90 CO -0.02 0.41 0.00 0.00 0.02 0.00 0.00 175.30 175.71 3hgm s ALA 91 N -0.46 3.30 0.01 2.13 0.00 -1.26 -0.38 121.76 125.09 3hgm s ALA 91 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3hgm s ALA 91 Cb -0.07 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 3hgm s ALA 91 CO -0.01 0.60 -0.08 -0.06 0.00 0.00 0.00 175.76 176.21 3hgm s PHE 92 N -0.93 0.73 -0.09 0.00 0.08 0.11 -4.94 117.98 112.95 3hgm s PHE 92 Ca 0.15 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.00 3hgm s PHE 92 Cb -0.11 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 41.90 3hgm s PHE 92 CO 0.04 -0.02 -0.12 0.08 -0.10 0.00 0.00 175.22 175.11 3hgm s VAL 93 N -0.43 1.18 0.01 -0.44 1.01 -1.26 -1.61 120.40 118.87 3hgm s VAL 93 Ca 0.01 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3hgm s VAL 93 Cb -0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3hgm s VAL 93 CO 0.00 0.38 -0.07 -0.54 0.00 0.00 0.00 175.10 174.86 3hgm s LYS 94 N 0.99 0.54 0.04 2.72 -0.14 -0.91 -5.00 119.74 117.98 3hgm s LYS 94 Ca -0.08 -0.42 -0.15 0.00 -1.36 0.00 0.00 55.97 53.96 3hgm s LYS 94 Cb -0.15 -0.46 -0.06 0.00 -1.68 0.00 0.00 37.83 35.48 3hgm s LYS 94 CO -0.00 0.12 0.45 0.20 -0.76 0.00 0.00 175.35 175.36 3hgm s GLY 95 N -0.65 2.50 0.00 -3.33 0.00 -1.26 -0.87 107.32 103.71 3hgm s GLY 95 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3hgm s GLY 95 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.88 3hgm n GLY 96 N 1.58 0.24 3.69 0.20 0.00 -0.47 -4.91 105.19 105.52 3hgm n GLY 96 Ca -0.12 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3hgm n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hgm s ARG 97 N -2.00 4.34 0.11 1.61 0.52 -1.26 -4.04 118.95 118.23 3hgm s ARG 97 Ca 0.00 1.76 -0.24 0.00 -0.52 0.00 0.00 55.73 56.73 3hgm s ARG 97 Cb 0.00 -3.54 -0.09 0.00 0.52 0.00 0.00 34.95 31.84 3hgm s ARG 97 CO 0.00 -0.46 1.68 -1.35 0.02 0.00 0.00 175.30 175.19 3hgm h PRO 98 N 7.49 -0.24 0.05 3.54 0.11 -1.93 -0.01 132.00 141.01 3hgm h PRO 98 Ca -0.36 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.78 3hgm h PRO 98 Cb 1.17 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3hgm h PRO 98 CO 0.88 -0.16 -0.11 0.77 -0.21 0.00 0.00 178.00 179.17 3hgm h SER 99 N -0.25 -0.30 -0.52 -2.05 0.02 -1.92 0.70 113.55 109.23 3hgm h SER 99 Ca 0.03 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3hgm h SER 99 Cb 0.28 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3hgm h SER 99 CO -0.10 -0.16 -0.10 0.03 -1.14 0.00 0.00 176.83 175.37 3hgm h ARG 100 N -0.21 1.00 -0.55 3.45 3.08 -1.96 -1.67 114.38 117.53 3hgm h ARG 100 Ca 0.02 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 3hgm h ARG 100 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hgm h ARG 100 CO -0.07 1.04 0.11 1.15 -1.07 0.00 0.00 179.97 181.13 3hgm h THR 101 N 0.89 1.25 -0.05 2.04 2.02 -0.63 -1.50 112.91 116.94 3hgm h THR 101 Ca 0.14 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 3hgm h THR 101 Cb 0.65 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3hgm h THR 101 CO 0.05 0.33 0.03 0.40 0.37 0.00 0.00 175.52 176.69 3hgm h ILE 102 N 0.78 1.07 -0.56 3.11 2.04 -0.71 -0.74 117.51 122.51 3hgm h ILE 102 Ca 0.17 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3hgm h ILE 102 Cb 0.37 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3hgm h ILE 102 CO 0.01 0.06 0.32 0.58 0.00 0.00 0.00 178.15 179.11 3hgm h VAL 103 N -0.01 1.18 -0.54 1.67 2.07 -1.26 -1.63 116.25 117.73 3hgm h VAL 103 Ca 0.02 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 3hgm h VAL 103 Cb 0.08 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3hgm h VAL 103 CO -0.00 0.19 -0.04 0.03 0.02 0.00 0.00 177.57 177.76 3hgm h ARG 104 N 0.75 0.98 -0.51 1.57 3.08 -1.22 -2.56 114.38 116.46 3hgm h ARG 104 Ca 0.20 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3hgm h ARG 104 Cb 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hgm h ARG 104 CO -0.03 1.00 0.27 0.35 -1.07 0.00 0.00 179.97 180.49 3hgm h PHE 105 N 0.85 0.71 -0.92 3.04 3.57 -0.94 -0.08 116.94 123.16 3hgm h PHE 105 Ca 0.15 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3hgm h PHE 105 Cb 0.59 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3hgm h PHE 105 CO 0.04 0.54 0.60 0.00 -2.23 0.00 0.00 178.31 177.27 3hgm h ALA 106 N 1.11 1.21 0.07 2.41 0.00 -1.20 -0.37 119.26 122.48 3hgm h ALA 106 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hgm h ALA 106 Cb 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hgm h ALA 106 CO -0.03 0.49 -0.03 -0.09 0.00 0.00 0.00 179.25 179.60 3hgm h ARG 107 N 1.19 -0.09 -0.41 0.00 1.12 -1.16 0.13 114.38 115.17 3hgm h ARG 107 Ca 0.36 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.23 3hgm h ARG 107 Cb -0.03 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.93 3hgm h ARG 107 CO -0.11 0.36 0.24 -0.22 -3.11 0.00 0.00 179.97 177.13 3hgm h LYS 108 N -0.57 0.55 -0.03 0.20 3.64 -0.91 -2.37 116.57 117.08 3hgm h LYS 108 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hgm h LYS 108 Cb 0.49 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3hgm h LYS 108 CO 0.02 0.42 0.00 0.54 -2.27 0.00 0.00 179.45 178.15 3hgm n ARG 109 N -4.76 1.21 -3.64 1.90 5.12 -0.16 -4.93 116.66 111.40 3hgm n ARG 109 Ca 0.00 -0.31 -0.22 0.00 -1.93 0.00 0.00 57.85 55.39 3hgm n ARG 109 Cb 0.06 -1.39 0.06 0.00 -1.16 0.00 0.00 32.46 30.02 3hgm n ARG 109 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hgm n GLU 110 N -0.53 -6.11 -2.45 5.56 1.02 -0.78 -4.97 120.64 112.37 3hgm n GLU 110 Ca 0.18 0.72 -0.40 0.00 -0.02 0.00 0.00 57.16 57.64 3hgm n GLU 110 Cb 0.16 -5.57 -0.04 0.00 -0.02 0.00 0.00 31.44 25.97 3hgm n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgm n ASP 112 N 1.30 2.70 -3.70 0.00 5.68 -0.42 -4.75 116.55 117.35 3hgm n ASP 112 Ca -0.01 -1.79 -0.14 0.00 -0.50 0.00 0.00 54.79 52.35 3hgm n ASP 112 Cb 0.45 -0.09 -0.09 0.00 -1.14 0.00 0.00 41.12 40.25 3hgm n ASP 112 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3hgm s LEU 113 N -1.36 0.14 -0.10 -2.12 2.96 -1.19 -4.11 118.68 112.90 3hgm s LEU 113 Ca 0.24 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 55.09 3hgm s LEU 113 Cb 0.16 1.69 -0.01 0.00 0.50 0.00 0.00 46.19 48.53 3hgm s LEU 113 CO 0.23 -0.21 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.15 3hgm s VAL 114 N 0.07 2.38 -0.22 1.68 1.01 -0.76 -0.62 120.40 123.94 3hgm s VAL 114 Ca -0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3hgm s VAL 114 Cb -0.03 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3hgm s VAL 114 CO 0.01 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 3hgm s VAL 115 N 0.23 2.72 0.05 2.92 1.01 0.65 0.07 120.40 128.06 3hgm s VAL 115 Ca -0.13 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3hgm s VAL 115 Cb -0.17 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3hgm s VAL 115 CO 0.07 0.39 -0.12 -0.51 0.00 0.00 0.00 175.10 174.93 3hgm s ILE 116 N 1.36 0.91 0.51 2.22 2.07 -0.08 -3.66 121.20 124.52 3hgm s ILE 116 Ca 0.03 -1.11 -0.21 0.00 -1.41 0.00 0.00 60.65 57.95 3hgm s ILE 116 Cb -0.15 -0.88 -0.06 0.00 0.13 0.00 0.00 42.46 41.50 3hgm s ILE 116 CO -0.07 -0.20 1.17 -0.83 -1.91 0.00 0.00 174.94 173.10 3hgm s GLY 117 N -1.47 2.73 0.24 1.50 0.00 -1.26 -0.76 107.32 108.31 3hgm s GLY 117 Ca -0.03 0.94 -0.01 0.00 0.00 0.00 0.00 44.72 45.61 3hgm s GLY 117 CO 0.01 1.36 1.67 0.00 0.00 0.00 0.00 173.10 176.14 3hgm h ALA 118 N 1.58 0.98 -2.10 3.20 0.00 -1.84 -3.43 119.26 117.64 3hgm h ALA 118 Ca -0.50 -0.36 -0.44 0.00 0.00 0.00 0.00 54.91 53.61 3hgm h ALA 118 Cb 1.26 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 3hgm h ALA 118 CO 0.58 0.60 -0.63 -0.65 0.00 0.00 0.00 179.25 179.16 3hgm s GLN 119 N -4.55 1.55 0.00 0.00 -0.21 -1.26 -0.32 119.66 114.87 3hgm s GLN 119 Ca -0.08 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 53.46 3hgm s GLN 119 Cb 0.13 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.36 3hgm s GLN 119 CO 0.81 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 174.24 3hgm n GLY 120 N -0.60 5.47 0.27 3.09 0.00 -1.26 -4.19 105.19 107.97 3hgm n GLY 120 Ca -0.03 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 45.13 3hgm n GLY 120 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hgm h THR 121 N 0.00 0.47 -0.42 2.61 1.35 -1.95 0.13 112.91 115.10 3hgm h THR 121 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3hgm h THR 121 Cb 0.00 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3hgm h THR 121 CO 0.00 0.10 0.00 0.59 -0.25 0.00 0.00 175.52 175.96 3hgm n ASN 122 N -3.53 4.27 -4.77 5.36 3.02 -1.26 -5.00 115.26 113.34 3hgm n ASN 122 Ca -0.02 -2.61 -0.34 0.00 -0.03 0.00 0.00 54.58 51.58 3hgm n ASN 122 Cb 0.24 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 38.83 3hgm n ASN 122 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hgm s GLY 123 N -0.59 2.43 0.00 7.41 0.00 0.03 -5.04 107.32 111.55 3hgm s GLY 123 Ca 0.39 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.84 3hgm s GLY 123 CO 0.12 1.10 0.00 2.09 0.00 0.00 0.00 173.10 176.41 3hgm n ASP 124 N -1.90 0.00 0.26 1.64 5.68 -1.26 -4.99 116.55 115.98 3hgm n ASP 124 Ca 0.11 -0.86 0.14 0.00 -0.50 0.00 0.00 54.79 53.68 3hgm n ASP 124 Cb 0.51 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.11 3hgm n ASP 124 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3hgm h LYS 125 N 0.00 0.00 -7.30 0.11 5.09 -2.02 -3.46 116.57 108.98 3hgm h LYS 125 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 60.65 60.25 3hgm h LYS 125 Cb 0.00 0.00 0.16 0.00 0.10 0.00 0.00 32.23 32.49 3hgm h LYS 125 CO 0.00 0.10 0.23 0.45 -2.09 0.00 0.00 179.45 178.14 3hgm s SER 126 N -5.92 3.26 -0.40 7.07 0.15 -1.26 -4.96 113.70 111.64 3hgm s SER 126 Ca 0.00 1.66 0.06 0.00 0.70 0.00 0.00 55.95 58.37 3hgm s SER 126 Cb 0.10 -2.31 0.65 0.00 -1.71 0.00 0.00 66.02 62.75 3hgm s SER 126 CO 0.58 -2.80 1.81 0.18 1.20 0.00 0.00 173.24 174.21 3hgm n LEU 127 N -4.00 6.14 -4.70 3.45 4.77 -1.26 -4.97 117.00 116.43 3hgm n LEU 127 Ca 0.08 -3.57 -0.42 0.00 -0.03 0.00 0.00 56.01 52.06 3hgm n LEU 127 Cb 0.54 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 3hgm n LEU 127 CO 0.54 1.05 0.82 -1.48 -1.33 0.00 0.00 177.39 176.99 3hgm s LEU 128 N -3.24 4.31 0.15 2.23 0.05 -1.26 -5.01 118.68 115.92 3hgm s LEU 128 Ca 0.54 1.72 -0.31 0.00 0.05 0.00 0.00 54.13 56.14 3hgm s LEU 128 Cb 0.46 -3.56 -0.08 0.00 -2.05 0.00 0.00 46.19 40.95 3hgm s LEU 128 CO 0.09 -0.44 1.38 -0.22 -0.55 0.00 0.00 176.35 176.61 3hgm s LEU 129 N 1.66 4.38 0.70 1.48 2.96 -1.26 -4.78 118.68 123.82 3hgm s LEU 129 Ca 0.53 2.40 -0.16 0.00 -0.22 0.00 0.00 54.13 56.67 3hgm s LEU 129 Cb -0.23 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.89 3hgm s LEU 129 CO 0.23 -0.63 1.25 -0.83 -1.32 0.00 0.00 176.35 175.05 3hgm s GLY 130 N 0.82 2.57 0.25 7.98 0.00 0.56 -4.81 107.32 114.69 3hgm s GLY 130 Ca 0.62 1.04 -0.01 0.00 0.00 0.00 0.00 44.72 46.36 3hgm s GLY 130 CO 0.34 1.45 1.69 1.48 0.00 0.00 0.00 173.10 178.06 3hgm h SER 131 N 0.05 0.67 -0.13 1.64 4.64 -1.94 0.32 113.55 118.81 3hgm h SER 131 Ca -0.49 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 60.50 3hgm h SER 131 Cb 1.31 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hgm h SER 131 CO 0.51 0.86 -0.35 0.58 -0.87 0.00 0.00 176.83 177.56 3hgm h VAL 132 N 0.60 1.37 -0.47 0.95 2.07 -1.95 -2.31 116.25 116.51 3hgm h VAL 132 Ca 0.10 -1.65 0.08 0.00 0.82 0.00 0.00 66.70 66.04 3hgm h VAL 132 Cb 0.64 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 3hgm h VAL 132 CO 0.04 0.49 0.11 0.00 0.02 0.00 0.00 177.57 178.23 3hgm h ALA 133 N 0.52 0.54 -0.34 1.67 0.00 -1.79 -0.10 119.26 119.75 3hgm h ALA 133 Ca -0.01 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hgm h ALA 133 Cb 0.96 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3hgm h ALA 133 CO 0.08 -0.30 0.21 0.37 0.00 0.00 0.00 179.25 179.61 3hgm h GLN 134 N 0.25 0.42 -0.23 0.00 4.15 -0.88 -0.58 115.11 118.24 3hgm h GLN 134 Ca 0.23 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.43 3hgm h GLN 134 Cb 0.30 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3hgm h GLN 134 CO -0.29 0.28 -0.64 0.00 -1.93 0.00 0.00 178.83 176.25 3hgm h ARG 135 N 0.43 0.81 -0.26 1.69 3.08 -1.19 -2.56 114.38 116.37 3hgm h ARG 135 Ca 0.13 -0.56 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 3hgm h ARG 135 Cb -0.03 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3hgm h ARG 135 CO -0.04 1.19 -0.00 0.28 -1.07 0.00 0.00 179.97 180.32 3hgm h VAL 136 N 0.59 1.26 -0.48 2.04 2.07 -0.94 -1.87 116.25 118.91 3hgm h VAL 136 Ca -0.01 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.62 3hgm h VAL 136 Cb 1.25 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 3hgm h VAL 136 CO 0.13 0.29 0.32 0.00 0.02 0.00 0.00 177.57 178.34 3hgm h ALA 137 N 0.82 1.78 0.09 1.67 0.00 -1.10 -0.15 119.26 122.35 3hgm h ALA 137 Ca 0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 3hgm h ALA 137 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hgm h ALA 137 CO 0.01 0.17 -1.19 0.78 0.00 0.00 0.00 179.25 179.02 3hgm h GLY 138 N 0.54 0.22 0.00 0.00 0.00 -1.35 -3.40 103.07 99.08 3hgm h GLY 138 Ca 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hgm h GLY 138 CO -0.05 0.49 -1.01 -1.14 0.00 0.00 0.00 176.54 174.83 3hgm n SER 139 N -3.47 1.25 -4.76 0.19 3.41 -0.71 -5.01 113.62 104.51 3hgm n SER 139 Ca -0.07 -0.44 -0.39 0.00 -0.26 0.00 0.00 58.87 57.71 3hgm n SER 139 Cb 1.00 1.25 0.02 0.00 -0.26 0.00 0.00 64.21 66.22 3hgm n SER 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hgm s ALA 140 N -2.46 3.03 -0.04 7.33 0.00 -0.09 -4.90 121.76 124.63 3hgm s ALA 140 Ca 0.01 1.30 0.25 0.00 0.00 0.00 0.00 51.96 53.52 3hgm s ALA 140 Cb 0.09 -3.54 0.80 0.00 0.00 0.00 0.00 23.12 20.47 3hgm s ALA 140 CO 0.51 -1.13 1.77 1.12 0.00 0.00 0.00 175.76 178.03 3hgm h HIS 141 N 1.99 0.00 -1.29 0.00 2.07 -1.90 -3.46 115.15 112.56 3hgm h HIS 141 Ca -0.50 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.42 3hgm h HIS 141 Cb 1.27 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.16 3hgm h HIS 141 CO 0.49 0.15 -0.49 0.00 -3.07 0.00 0.00 177.93 175.01 3hgm s PRO 143 N -3.92 3.12 -0.21 0.00 0.02 -1.26 -4.85 135.00 127.90 3hgm s PRO 143 Ca 0.34 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.56 3hgm s PRO 143 Cb 0.04 -2.22 0.04 0.00 0.02 0.00 0.00 34.50 32.38 3hgm s PRO 143 CO 0.19 -1.19 -0.12 0.08 -0.33 0.00 0.00 177.00 175.63 3hgm s VAL 144 N -1.33 1.79 -0.43 3.83 1.01 -1.26 -1.83 120.40 122.18 3hgm s VAL 144 Ca 0.72 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 3hgm s VAL 144 Cb -0.39 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3hgm s VAL 144 CO 0.46 0.18 0.87 -0.22 0.00 0.00 0.00 175.10 176.39 3hgm s LEU 145 N 1.33 4.07 -0.36 3.92 2.96 0.11 -4.99 118.68 125.73 3hgm s LEU 145 Ca -0.02 0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.91 3hgm s LEU 145 Cb -0.16 -3.13 -0.00 0.00 0.50 0.00 0.00 46.19 43.39 3hgm s LEU 145 CO -0.08 -0.94 0.43 -0.69 -1.32 0.00 0.00 176.35 173.74 3hgm s VAL 146 N 3.51 5.10 -2.37 1.68 1.01 -1.26 -0.90 120.40 127.16 3hgm s VAL 146 Ca 0.35 0.06 0.19 0.00 0.00 0.00 0.00 61.98 62.58 3hgm s VAL 146 Cb -0.11 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.50 3hgm s VAL 146 CO 0.23 -0.20 1.10 0.52 0.00 0.00 0.00 175.10 176.75