#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 2.95 -0.12 3.17 0.08 -1.26 -5.00 117.98 117.81 3hgm s PHE 2 Ca 0.00 -0.74 0.19 0.00 0.12 0.00 0.00 56.93 56.49 3hgm s PHE 2 Cb 0.00 -2.04 -0.27 0.00 -0.57 0.00 0.00 43.02 40.14 3hgm s PHE 2 CO 0.00 -0.39 0.24 0.09 -0.10 0.00 0.00 175.22 175.06 3hgm n ASN 3 N 4.35 0.28 -3.49 1.36 3.02 -1.26 -4.22 115.26 115.29 3hgm n ASN 3 Ca -0.18 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 3hgm n ASN 3 Cb 0.51 1.40 -0.13 0.00 -0.61 0.00 0.00 39.78 40.95 3hgm n ASN 3 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3hgm s ARG 4 N -2.89 0.20 -0.20 3.52 3.52 -1.26 -0.79 118.95 121.04 3hgm s ARG 4 Ca -0.09 0.12 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 3hgm s ARG 4 Cb 0.09 -1.19 -0.04 0.00 -1.56 0.00 0.00 34.95 32.25 3hgm s ARG 4 CO 0.82 -0.71 0.07 0.42 -0.81 0.00 0.00 175.30 175.09 3hgm s ILE 5 N 2.31 4.68 -0.16 4.11 1.01 0.97 -1.36 121.20 132.76 3hgm s ILE 5 Ca 0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 3hgm s ILE 5 Cb -0.16 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3hgm s ILE 5 CO -0.15 0.42 0.07 -0.32 0.00 0.00 0.00 174.94 174.96 3hgm s MET 6 N 0.75 3.76 -0.31 2.79 -2.45 0.27 0.27 119.30 124.37 3hgm s MET 6 Ca 0.04 -0.30 0.03 0.00 -1.25 0.00 0.00 55.69 54.20 3hgm s MET 6 Cb -0.13 -3.17 0.09 0.00 1.25 0.00 0.00 34.83 32.87 3hgm s MET 6 CO 0.02 0.43 0.03 0.08 1.05 0.00 0.00 175.02 176.63 3hgm s VAL 7 N -0.07 1.97 0.06 10.11 1.01 0.10 -0.27 120.40 133.31 3hgm s VAL 7 Ca 0.07 -1.99 -0.31 0.00 0.00 0.00 0.00 61.98 59.75 3hgm s VAL 7 Cb -0.12 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 3hgm s VAL 7 CO 0.01 -0.49 1.29 -2.84 0.00 0.00 0.00 175.10 173.07 3hgm s PRO 8 N 1.09 4.37 0.03 2.72 0.02 -1.25 -1.94 135.00 140.04 3hgm s PRO 8 Ca 0.06 1.88 0.07 0.00 0.02 0.00 0.00 61.00 63.03 3hgm s PRO 8 Cb -0.19 -3.37 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 3hgm s PRO 8 CO -0.10 -0.38 -0.20 0.14 -0.33 0.00 0.00 177.00 176.14 3hgm s VAL 9 N 1.38 1.57 -0.00 3.83 -7.23 0.51 -4.70 120.40 115.75 3hgm s VAL 9 Ca 0.61 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 3hgm s VAL 9 Cb -0.31 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.27 3hgm s VAL 9 CO 0.28 0.21 0.86 -0.90 -0.31 0.00 0.00 175.10 175.24 3hgm n ASP 10 N 1.97 1.41 -0.01 4.85 5.75 -1.26 -4.18 116.55 125.08 3hgm n ASP 10 Ca -0.17 -1.73 -0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3hgm n ASP 10 Cb 0.54 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.37 0.47 3.96 6.12 0.00 -1.26 -4.87 105.19 109.24 3hgm n GLY 11 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.22 6.17 0.37 1.61 1.04 -1.26 -5.00 113.70 114.41 3hgm s SER 12 Ca 0.00 0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.70 3hgm s SER 12 Cb 0.00 -1.75 0.73 0.00 0.10 0.00 0.00 66.02 65.10 3hgm s SER 12 CO 0.00 -0.31 1.88 0.11 0.98 0.00 0.00 173.24 175.90 3hgm h LYS 13 N 0.86 0.23 -0.74 4.02 1.57 -1.92 -2.48 116.57 118.11 3hgm h LYS 13 Ca -0.49 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.20 3hgm h LYS 13 Cb 1.23 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3hgm h LYS 13 CO 0.59 0.41 0.35 0.78 -0.57 0.00 0.00 179.45 181.01 3hgm h GLY 14 N 0.83 1.14 1.34 3.86 0.00 -1.84 -2.34 103.07 106.07 3hgm h GLY 14 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3hgm h GLY 14 CO 0.03 0.54 -0.16 0.00 0.00 0.00 0.00 176.54 176.95 3hgm h ALA 15 N 1.17 0.95 -0.65 3.60 0.00 -1.65 -2.00 119.26 120.68 3hgm h ALA 15 Ca 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hgm h ALA 15 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hgm h ALA 15 CO -0.03 0.61 0.29 0.28 0.00 0.00 0.00 179.25 180.40 3hgm h VAL 16 N 0.69 1.23 -0.63 0.00 2.07 -1.23 0.11 116.25 118.48 3hgm h VAL 16 Ca 0.11 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3hgm h VAL 16 Cb 0.65 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3hgm h VAL 16 CO 0.05 0.28 0.22 0.11 0.02 0.00 0.00 177.57 178.24 3hgm h LYS 17 N 0.91 0.94 -0.22 1.57 1.79 -1.24 -0.60 116.57 119.71 3hgm h LYS 17 Ca 0.22 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3hgm h LYS 17 Cb 0.16 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3hgm h LYS 17 CO -0.02 0.79 0.12 0.00 -1.08 0.00 0.00 179.45 179.26 3hgm h ALA 18 N 1.32 0.29 -0.80 3.86 0.00 -0.90 -2.66 119.26 120.38 3hgm h ALA 18 Ca 0.21 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3hgm h ALA 18 Cb 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3hgm h ALA 18 CO -0.01 -0.18 0.49 1.25 0.00 0.00 0.00 179.25 180.79 3hgm h LEU 19 N 0.25 0.77 -1.08 0.00 5.85 -0.22 -0.61 115.31 120.28 3hgm h LEU 19 Ca 0.08 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3hgm h LEU 19 Cb 0.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3hgm h LEU 19 CO -0.01 0.51 0.38 -0.33 -0.34 0.00 0.00 178.44 178.64 3hgm h GLU 20 N 0.91 1.02 -0.22 1.25 5.08 -0.99 0.68 114.58 122.32 3hgm h GLU 20 Ca 0.34 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.40 3hgm h GLU 20 Cb 0.13 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3hgm h GLU 20 CO -0.16 0.77 -0.59 0.87 -1.00 0.00 0.00 179.01 178.90 3hgm h LYS 21 N 1.03 0.71 -0.94 2.33 1.79 -1.07 -2.34 116.57 118.08 3hgm h LYS 21 Ca 0.26 -0.47 0.07 0.00 -2.18 0.00 0.00 60.65 58.32 3hgm h LYS 21 Cb 0.06 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.71 3hgm h LYS 21 CO -0.04 1.10 0.60 0.78 -1.08 0.00 0.00 179.45 180.80 3hgm h GLY 22 N 0.86 1.44 0.98 3.86 0.00 -0.61 -1.35 103.07 108.26 3hgm h GLY 22 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3hgm h GLY 22 CO 0.12 0.29 0.18 -2.08 0.00 0.00 0.00 176.54 175.05 3hgm h VAL 23 N 1.07 1.23 -0.55 4.60 2.07 -0.74 -0.22 116.25 123.70 3hgm h VAL 23 Ca 0.42 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3hgm h VAL 23 Cb 0.20 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3hgm h VAL 23 CO -0.18 0.29 0.34 1.23 0.02 0.00 0.00 177.57 179.26 3hgm h GLY 24 N 0.74 0.78 1.38 2.17 0.00 -0.93 -0.90 103.07 106.32 3hgm h GLY 24 Ca 0.17 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3hgm h GLY 24 CO -0.01 0.23 -0.36 1.41 0.00 0.00 0.00 176.54 177.81 3hgm h LEU 25 N 0.68 0.72 -0.43 3.11 3.38 -1.13 -1.77 115.31 119.87 3hgm h LEU 25 Ca 0.22 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hgm h LEU 25 Cb -0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3hgm h LEU 25 CO -0.08 1.01 0.13 -0.61 0.09 0.00 0.00 178.44 178.97 3hgm h GLN 26 N 0.57 0.27 -0.07 1.13 -0.00 -0.71 -0.96 115.11 115.34 3hgm h GLN 26 Ca 0.06 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.60 3hgm h GLN 26 Cb 0.88 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 3hgm h GLN 26 CO 0.08 0.18 -0.35 1.96 0.00 0.00 0.00 178.83 180.69 3hgm h GLN 27 N 0.28 0.14 -0.23 1.69 1.08 -0.91 0.72 115.11 117.88 3hgm h GLN 27 Ca 0.21 -0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.19 3hgm h GLN 27 Cb 0.22 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3hgm h GLN 27 CO -0.23 0.48 -0.51 1.25 -0.95 0.00 0.00 178.83 178.86 3hgm h LEU 28 N 0.12 0.73 0.00 1.46 5.85 -0.90 -3.37 115.31 119.20 3hgm h LEU 28 Ca 0.01 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3hgm h LEU 28 Cb 0.69 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3hgm h LEU 28 CO 0.05 1.11 -1.17 0.35 -0.34 0.00 0.00 178.44 178.44 3hgm n THR 29 N -3.99 0.00 -1.87 1.05 -2.24 -0.40 -5.01 114.28 101.82 3hgm n THR 29 Ca -0.03 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 3hgm n THR 29 Cb 0.59 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.75 0.43 3.78 3.38 0.00 0.25 -4.82 105.19 109.96 3hgm n GLY 30 Ca -0.01 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.52 2.10 0.46 4.61 0.00 -1.21 -5.03 121.76 120.18 3hgm s ALA 31 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.69 3hgm s ALA 31 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 3hgm s ALA 31 CO 0.00 -1.85 1.09 -1.21 0.00 0.00 0.00 175.76 173.79 3hgm s GLU 32 N -5.04 3.83 -0.21 0.00 2.02 0.03 -4.90 118.70 114.43 3hgm s GLU 32 Ca 0.61 1.55 0.01 0.00 0.02 0.00 0.00 54.97 57.16 3hgm s GLU 32 Cb -0.16 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.81 3hgm s GLU 32 CO 0.55 -0.44 -0.16 -1.17 0.02 0.00 0.00 175.26 174.07 3hgm s LEU 33 N -3.16 2.58 -0.25 1.80 2.96 0.53 -0.02 118.68 123.13 3hgm s LEU 33 Ca 0.64 -0.85 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3hgm s LEU 33 Cb -0.22 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3hgm s LEU 33 CO 0.27 -0.06 0.07 -0.31 -1.32 0.00 0.00 176.35 175.00 3hgm s TYR 34 N 1.25 3.09 -0.18 5.38 1.51 0.14 -1.21 117.35 127.34 3hgm s TYR 34 Ca 0.01 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.56 3hgm s TYR 34 Cb -0.15 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 3hgm s TYR 34 CO -0.10 -0.37 0.05 0.42 -1.11 0.00 0.00 175.55 174.44 3hgm s ILE 35 N 1.61 4.64 -0.07 2.71 1.01 0.47 0.01 121.20 131.58 3hgm s ILE 35 Ca 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3hgm s ILE 35 Cb -0.15 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.25 3hgm s ILE 35 CO 0.04 0.47 -0.10 -0.22 0.00 0.00 0.00 174.94 175.12 3hgm s LEU 36 N 0.36 1.55 -0.16 2.97 2.96 -0.82 0.36 118.68 125.89 3hgm s LEU 36 Ca 0.02 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3hgm s LEU 36 Cb -0.13 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.80 3hgm s LEU 36 CO 0.01 0.00 -0.14 0.00 -1.32 0.00 0.00 176.35 174.90 3hgm s VAL 38 N 0.93 5.34 0.10 0.00 1.01 -1.26 -2.16 120.40 124.36 3hgm s VAL 38 Ca -0.03 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.45 3hgm s VAL 38 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3hgm s VAL 38 CO -0.02 0.49 -0.12 0.72 0.00 0.00 0.00 175.10 176.17 3hgm s PHE 39 N -0.18 2.69 0.26 5.22 -0.12 -0.15 -4.95 117.98 120.75 3hgm s PHE 39 Ca 0.15 -0.18 -0.29 0.00 -0.05 0.00 0.00 56.93 56.56 3hgm s PHE 39 Cb -0.13 -1.42 -0.09 0.00 -0.63 0.00 0.00 43.02 40.75 3hgm s PHE 39 CO 0.04 0.41 0.94 -1.59 -0.05 0.00 0.00 175.22 174.96 3hgm s LYS 40 N -2.13 4.79 0.50 1.99 -2.85 -1.26 -0.28 119.74 120.49 3hgm s LYS 40 Ca 0.20 1.44 -0.18 0.00 -1.00 0.00 0.00 55.97 56.43 3hgm s LYS 40 Cb -0.11 -3.16 -0.08 0.00 -2.06 0.00 0.00 37.83 32.42 3hgm s LYS 40 CO 0.12 0.46 0.99 -1.01 0.10 0.00 0.00 175.35 176.02 3hgm s HIS 41 N -1.29 3.31 0.23 1.78 3.76 -1.26 -4.85 115.29 116.96 3hgm s HIS 41 Ca 0.43 1.52 -0.08 0.00 -0.15 0.00 0.00 55.06 56.78 3hgm s HIS 41 Cb -0.24 -2.86 0.23 0.00 1.11 0.00 0.00 32.58 30.81 3hgm s HIS 41 CO 0.30 -0.45 1.88 1.25 -0.85 0.00 0.00 174.74 176.87 3hgm h HIS 42 N 1.19 1.02 -0.17 1.40 2.76 -1.96 -3.19 115.15 116.20 3hgm h HIS 42 Ca -0.48 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.69 3hgm h HIS 42 Cb 1.19 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 3hgm h HIS 42 CO 0.62 0.61 -0.02 0.66 -1.30 0.00 0.00 177.93 178.49 3hgm h SER 43 N 1.07 0.31 -0.45 3.26 4.64 -1.98 -2.86 113.55 117.55 3hgm h SER 43 Ca 0.32 -0.34 0.06 0.00 -0.47 0.00 0.00 61.79 61.36 3hgm h SER 43 Cb -0.04 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3hgm h SER 43 CO -0.10 0.58 0.30 -0.07 -0.87 0.00 0.00 176.83 176.67 3hgm h LEU 44 N 0.03 0.32 0.29 5.97 4.07 -1.96 0.27 115.31 124.30 3hgm h LEU 44 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 3hgm h LEU 44 Cb 0.43 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.11 3hgm h LEU 44 CO 0.01 0.21 -0.14 0.25 -1.08 0.00 0.00 178.44 177.70 3hgm h LEU 45 N 0.37 -0.33 -0.32 1.67 5.85 -1.54 -3.36 115.31 117.66 3hgm h LEU 45 Ca 0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hgm h LEU 45 Cb 0.30 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3hgm h LEU 45 CO -0.05 0.02 0.00 -0.62 -0.34 0.00 0.00 178.44 177.45 3hgm n GLU 46 N -4.45 0.11 -0.08 1.25 1.02 -1.08 -2.88 120.64 114.53 3hgm n GLU 46 Ca -0.05 0.31 -0.04 0.00 -0.02 0.00 0.00 57.16 57.35 3hgm n GLU 46 Cb 0.15 -1.70 0.16 0.00 -0.02 0.00 0.00 31.44 30.04 3hgm n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgm h ALA 47 N 2.44 1.08 -0.97 0.62 0.00 -0.61 -3.11 119.26 118.72 3hgm h ALA 47 Ca 0.00 -0.28 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 3hgm h ALA 47 Cb 0.36 -0.18 -0.30 0.00 0.00 0.00 0.00 17.79 17.68 3hgm h ALA 47 CO 0.00 0.57 0.71 -1.13 0.00 0.00 0.00 179.25 179.40 3hgm n SER 48 N -4.19 6.02 -4.40 0.00 3.41 -1.14 -4.94 113.62 108.38 3hgm n SER 48 Ca 0.02 -3.72 -0.32 0.00 -0.26 0.00 0.00 58.87 54.58 3hgm n SER 48 Cb 0.33 -0.90 -0.14 0.00 -0.26 0.00 0.00 64.21 63.24 3hgm n SER 48 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hgm s LEU 49 N -3.61 2.47 0.07 1.04 1.02 -1.18 -5.04 118.68 113.46 3hgm s LEU 49 Ca 0.61 -0.31 -0.17 0.00 0.02 0.00 0.00 54.13 54.28 3hgm s LEU 49 Cb 0.49 -1.48 -0.14 0.00 0.02 0.00 0.00 46.19 45.09 3hgm s LEU 49 CO 0.03 0.32 1.32 0.77 0.02 0.00 0.00 176.35 178.82 3hgm h SER 50 N 5.53 0.67 -3.24 2.29 4.64 -1.92 -3.45 113.55 118.06 3hgm h SER 50 Ca -0.43 -0.56 -0.56 0.00 -0.47 0.00 0.00 61.79 59.77 3hgm h SER 50 Cb 1.15 -0.19 -0.17 0.00 -0.31 0.00 0.00 62.40 62.87 3hgm h SER 50 CO 0.49 1.10 -0.79 -0.04 -0.87 0.00 0.00 176.83 176.73 3hgm s MET 51 N -4.02 1.40 0.43 4.77 -1.94 -1.26 -5.13 119.30 113.54 3hgm s MET 51 Ca -0.13 -1.50 -0.24 0.00 -1.71 0.00 0.00 55.69 52.11 3hgm s MET 51 Cb 0.07 -1.51 -0.08 0.00 2.01 0.00 0.00 34.83 35.32 3hgm s MET 51 CO 0.83 0.31 1.16 0.00 -0.01 0.00 0.00 175.02 177.30 3hgm s ALA 52 N -2.09 3.07 0.41 3.03 0.00 -1.26 -5.01 121.76 119.92 3hgm s ALA 52 Ca 0.20 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 3hgm s ALA 52 Cb -0.06 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 3hgm s ALA 52 CO 0.09 -0.56 1.29 1.03 0.00 0.00 0.00 175.76 177.61 3hgm s ARG 53 N -2.48 3.94 0.62 0.00 0.52 -1.26 -4.98 118.95 115.30 3hgm s ARG 53 Ca 0.60 2.13 -0.19 0.00 -0.52 0.00 0.00 55.73 57.75 3hgm s ARG 53 Cb -0.29 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 3hgm s ARG 53 CO 0.36 -0.51 1.29 -2.14 0.02 0.00 0.00 175.30 174.32 3hgm s PRO 54 N -2.28 2.74 0.24 3.54 0.02 -1.26 -4.89 135.00 133.11 3hgm s PRO 54 Ca 0.58 2.06 0.21 0.00 0.02 0.00 0.00 61.00 63.87 3hgm s PRO 54 Cb -0.37 -1.94 0.96 0.00 0.02 0.00 0.00 34.50 33.17 3hgm s PRO 54 CO 0.48 -1.45 1.65 0.39 -0.33 0.00 0.00 177.00 177.73 3hgm n GLU 55 N -1.68 0.16 0.24 5.54 1.02 -1.26 -1.33 120.64 123.33 3hgm n GLU 55 Ca 0.14 0.47 0.09 0.00 -0.02 0.00 0.00 57.16 57.84 3hgm n GLU 55 Cb 0.48 -1.85 0.61 0.00 -0.02 0.00 0.00 31.44 30.66 3hgm n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3hgm h GLN 56 N 0.00 0.00 -0.55 3.49 4.15 -2.03 -2.52 115.11 117.64 3hgm h GLN 56 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hgm h GLN 56 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3hgm h GLN 56 CO 0.00 0.17 0.00 1.28 -1.93 0.00 0.00 178.83 178.35 3hgm n LEU 57 N -3.87 2.88 -4.77 -2.39 4.32 -0.44 -4.97 117.00 107.76 3hgm n LEU 57 Ca -0.02 -1.45 -0.38 0.00 -0.02 0.00 0.00 56.01 54.15 3hgm n LEU 57 Cb 0.27 -0.41 -0.01 0.00 -1.62 0.00 0.00 43.42 41.65 3hgm n LEU 57 CO 0.33 0.55 0.84 -1.81 -1.22 0.00 0.00 177.39 176.08 3hgm s ASP 58 N -0.81 6.27 0.12 -1.43 1.01 -0.95 -5.02 116.67 115.84 3hgm s ASP 58 Ca 0.31 2.35 0.04 0.00 0.71 0.00 0.00 52.55 55.95 3hgm s ASP 58 Cb 0.19 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3hgm s ASP 58 CO 0.16 -0.85 -0.10 0.27 0.21 0.00 0.00 175.17 174.86 3hgm s ILE 59 N -1.48 1.05 0.33 0.77 -4.36 -1.26 -5.12 121.20 111.12 3hgm s ILE 59 Ca 0.61 -1.83 -0.28 0.00 -0.26 0.00 0.00 60.65 58.89 3hgm s ILE 59 Cb -0.30 -1.58 -0.13 0.00 1.25 0.00 0.00 42.46 41.70 3hgm s ILE 59 CO 0.37 -0.64 1.27 -2.65 0.24 0.00 0.00 174.94 173.53 3hgm n PRO 60 N 0.23 2.05 -0.17 0.37 -0.02 -1.26 -4.89 135.00 131.31 3hgm n PRO 60 Ca -0.13 0.72 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 3hgm n PRO 60 Cb 0.59 -2.28 0.33 0.00 -0.02 0.00 0.00 33.50 32.11 3hgm n PRO 60 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hgm h ASP 61 N 2.56 0.71 -0.19 2.55 3.32 -2.05 -1.92 116.42 121.40 3hgm h ASP 61 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hgm h ASP 61 Cb 1.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3hgm h ASP 61 CO 0.63 0.48 0.00 -0.90 -1.72 0.00 0.00 179.24 177.73 3hgm n ASP 62 N -4.46 2.00 -0.03 6.45 5.75 -1.26 -4.31 116.55 120.69 3hgm n ASP 62 Ca 0.09 -1.75 -0.07 0.00 -0.01 0.00 0.00 54.79 53.05 3hgm n ASP 62 Cb 0.14 -0.12 0.11 0.00 -1.03 0.00 0.00 41.12 40.23 3hgm n ASP 62 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hgm h ALA 63 N 4.18 0.90 -0.29 2.12 0.00 -1.71 -0.35 119.26 124.10 3hgm h ALA 63 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 3hgm h ALA 63 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hgm h ALA 63 CO 0.00 0.62 -0.34 -0.07 0.00 0.00 0.00 179.25 179.46 3hgm h LEU 64 N 0.54 0.68 -0.25 0.00 3.38 -1.75 -2.25 115.31 115.66 3hgm h LEU 64 Ca 0.06 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3hgm h LEU 64 Cb 0.80 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3hgm h LEU 64 CO 0.07 0.96 -0.09 0.50 0.09 0.00 0.00 178.44 179.96 3hgm h LYS 65 N 0.55 0.50 -0.84 1.13 3.64 -1.74 -1.55 116.57 118.26 3hgm h LYS 65 Ca 0.06 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3hgm h LYS 65 Cb 0.84 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 3hgm h LYS 65 CO 0.07 0.75 0.53 -0.44 -2.27 0.00 0.00 179.45 178.09 3hgm h ASP 66 N 0.24 0.86 -0.12 4.20 3.32 -1.05 0.71 116.42 124.58 3hgm h ASP 66 Ca 0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3hgm h ASP 66 Cb 0.58 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3hgm h ASP 66 CO 0.03 0.58 0.04 0.22 -1.72 0.00 0.00 179.24 178.39 3hgm h TYR 67 N 1.01 0.20 -0.90 4.55 3.20 -1.33 -1.65 116.97 122.05 3hgm h TYR 67 Ca 0.35 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.25 3hgm h TYR 67 Cb 0.07 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3hgm h TYR 67 CO -0.03 0.31 0.59 0.00 -1.64 0.00 0.00 178.16 177.39 3hgm h ALA 68 N 0.86 1.48 -0.29 1.82 0.00 -0.90 -1.57 119.26 120.66 3hgm h ALA 68 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hgm h ALA 68 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hgm h ALA 68 CO -0.00 0.41 0.14 1.15 0.00 0.00 0.00 179.25 180.95 3hgm h THR 69 N 1.07 1.15 -0.96 0.00 2.02 -0.62 -1.03 112.91 114.54 3hgm h THR 69 Ca 0.37 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3hgm h THR 69 Cb 0.11 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3hgm h THR 69 CO -0.13 0.16 0.58 -0.33 0.37 0.00 0.00 175.52 176.17 3hgm h GLU 70 N 0.33 1.30 -0.23 6.66 5.08 -0.82 -0.67 114.58 126.22 3hgm h GLU 70 Ca 0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hgm h GLU 70 Cb 0.12 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3hgm h GLU 70 CO -0.01 0.90 0.11 0.82 -1.00 0.00 0.00 179.01 179.83 3hgm h ILE 71 N 1.32 1.15 -0.75 3.13 2.04 -1.08 -0.04 117.51 123.28 3hgm h ILE 71 Ca 0.34 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3hgm h ILE 71 Cb -0.07 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3hgm h ILE 71 CO -0.07 0.15 0.25 0.00 0.00 0.00 0.00 178.15 178.48 3hgm h ALA 72 N 0.97 0.98 -0.44 1.87 0.00 -0.82 -1.83 119.26 119.99 3hgm h ALA 72 Ca 0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3hgm h ALA 72 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hgm h ALA 72 CO -0.01 0.65 -0.30 0.28 0.00 0.00 0.00 179.25 179.87 3hgm h VAL 73 N 1.11 1.27 -0.28 0.00 2.07 -1.03 -0.59 116.25 118.80 3hgm h VAL 73 Ca 0.24 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.34 3hgm h VAL 73 Cb 0.29 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3hgm h VAL 73 CO -0.01 0.50 -0.01 -0.61 0.02 0.00 0.00 177.57 177.46 3hgm h GLN 74 N 0.81 0.07 -0.29 1.57 4.15 -0.82 -0.29 115.11 120.31 3hgm h GLN 74 Ca 0.09 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3hgm h GLN 74 Cb 0.89 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 3hgm h GLN 74 CO 0.08 0.05 0.17 0.00 -1.93 0.00 0.00 178.83 177.20 3hgm h ALA 75 N 1.25 0.37 -0.31 3.38 0.00 -1.13 0.44 119.26 123.26 3hgm h ALA 75 Ca 0.13 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hgm h ALA 75 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hgm h ALA 75 CO -0.23 -0.13 0.13 -0.22 0.00 0.00 0.00 179.25 178.80 3hgm h LYS 76 N 0.37 0.27 -0.37 0.00 3.64 -0.89 0.28 116.57 119.86 3hgm h LYS 76 Ca 0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3hgm h LYS 76 Cb 0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hgm h LYS 76 CO -0.02 0.18 0.20 1.15 -2.27 0.00 0.00 179.45 178.69 3hgm h THR 77 N 0.28 1.15 -0.68 1.00 2.02 -0.82 -1.50 112.91 114.36 3hgm h THR 77 Ca 0.13 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3hgm h THR 77 Cb 0.08 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 3hgm h THR 77 CO -0.11 0.16 0.43 -0.09 0.37 0.00 0.00 175.52 176.27 3hgm h ARG 78 N 0.47 0.82 -0.57 6.66 2.43 -0.64 -0.61 114.38 122.95 3hgm h ARG 78 Ca 0.13 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3hgm h ARG 78 Cb 0.07 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3hgm h ARG 78 CO -0.02 0.54 0.30 0.00 -1.51 0.00 0.00 179.97 179.28 3hgm h ALA 79 N 1.28 0.73 -0.38 2.80 0.00 -0.52 -0.78 119.26 122.39 3hgm h ALA 79 Ca 0.27 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3hgm h ALA 79 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hgm h ALA 79 CO -0.10 0.25 -0.19 1.79 0.00 0.00 0.00 179.25 181.00 3hgm h THR 80 N 0.76 1.28 -0.26 0.00 1.35 -1.02 -2.12 112.91 112.90 3hgm h THR 80 Ca 0.20 -1.32 -0.01 0.00 -0.55 0.00 0.00 66.41 64.73 3hgm h THR 80 Cb 0.06 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 3hgm h THR 80 CO -0.03 0.44 0.11 -0.33 -0.25 0.00 0.00 175.52 175.46 3hgm h GLU 81 N 0.59 0.36 -0.00 4.72 4.39 -0.90 -1.76 114.58 121.98 3hgm h GLU 81 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3hgm h GLU 81 Cb 0.74 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3hgm h GLU 81 CO 0.06 0.30 -0.02 1.28 -1.16 0.00 0.00 179.01 179.47 3hgm n LEU 82 N -4.43 0.20 0.00 1.33 4.77 -0.32 -4.90 117.00 113.65 3hgm n LEU 82 Ca 0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3hgm n LEU 82 Cb 0.12 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hgm n LEU 82 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3hgm n GLY 83 N 1.14 0.99 3.70 -0.72 0.00 -0.66 -5.04 105.19 104.59 3hgm n GLY 83 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.83 4.40 0.33 1.61 1.01 -0.82 -4.99 120.40 120.10 3hgm s VAL 84 Ca 0.00 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 3hgm s VAL 84 Cb 0.00 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 3hgm s VAL 84 CO 0.00 0.05 1.43 -2.65 0.00 0.00 0.00 175.10 173.93 3hgm n PRO 85 N 4.68 2.40 -0.30 2.72 -0.02 -1.26 -4.13 135.00 139.08 3hgm n PRO 85 Ca 0.09 0.84 0.12 0.00 -2.02 0.00 0.00 63.50 62.54 3hgm n PRO 85 Cb 0.47 -2.52 0.36 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.40 1.78 0.00 3.55 0.00 -1.92 -0.45 119.26 125.62 3hgm h ALA 86 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hgm h ALA 86 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hgm h ALA 86 CO 0.69 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3hgm n ASP 87 N -4.61 0.21 0.01 0.00 5.68 -1.26 -2.49 116.55 114.09 3hgm n ASP 87 Ca 0.19 0.55 0.11 0.00 -0.50 0.00 0.00 54.79 55.14 3hgm n ASP 87 Cb 0.50 -0.59 -0.02 0.00 -1.14 0.00 0.00 41.12 39.86 3hgm n ASP 87 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hgm n LYS 88 N -1.73 0.21 -4.22 0.11 4.76 -0.18 -4.92 118.16 112.20 3hgm n LYS 88 Ca 0.04 -0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.11 3hgm n LYS 88 Cb 0.21 -1.55 -0.11 0.00 -1.84 0.00 0.00 35.03 31.74 3hgm n LYS 88 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hgm s VAL 89 N -3.15 4.17 -0.05 -0.18 1.01 -1.04 -0.34 120.40 120.81 3hgm s VAL 89 Ca 0.04 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3hgm s VAL 89 Cb 0.15 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3hgm s VAL 89 CO 0.82 0.47 -0.13 -0.13 0.00 0.00 0.00 175.10 176.14 3hgm s ARG 90 N 0.50 1.55 -0.10 2.72 0.52 -0.35 -4.96 118.95 118.84 3hgm s ARG 90 Ca -0.01 -0.43 -0.03 0.00 -0.52 0.00 0.00 55.73 54.74 3hgm s ARG 90 Cb -0.14 -1.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 3hgm s ARG 90 CO 0.02 0.09 0.02 0.00 0.02 0.00 0.00 175.30 175.45 3hgm s ALA 91 N 0.43 3.35 0.06 2.13 0.00 -1.26 -0.39 121.76 126.08 3hgm s ALA 91 Ca -0.10 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3hgm s ALA 91 Cb -0.13 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3hgm s ALA 91 CO 0.03 0.56 -0.12 -0.06 0.00 0.00 0.00 175.76 176.17 3hgm s PHE 92 N -0.81 1.00 -0.08 0.00 0.08 0.16 -4.94 117.98 113.39 3hgm s PHE 92 Ca 0.12 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.72 3hgm s PHE 92 Cb -0.12 -0.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 3hgm s PHE 92 CO 0.02 0.00 -0.14 0.08 -0.10 0.00 0.00 175.22 175.09 3hgm s VAL 93 N -1.30 1.27 0.02 -0.44 1.01 -1.26 -1.88 120.40 117.82 3hgm s VAL 93 Ca -0.05 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3hgm s VAL 93 Cb -0.10 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3hgm s VAL 93 CO 0.02 0.39 -0.14 -0.54 0.00 0.00 0.00 175.10 174.82 3hgm s LYS 94 N 0.70 0.99 0.10 2.72 -0.14 -0.92 -5.00 119.74 118.20 3hgm s LYS 94 Ca -0.13 -0.67 -0.18 0.00 -1.36 0.00 0.00 55.97 53.63 3hgm s LYS 94 Cb -0.16 -0.99 -0.07 0.00 -1.68 0.00 0.00 37.83 34.94 3hgm s LYS 94 CO 0.03 0.25 0.56 0.20 -0.76 0.00 0.00 175.35 175.64 3hgm s GLY 95 N -0.87 2.60 0.00 -3.33 0.00 -1.26 -0.98 107.32 103.48 3hgm s GLY 95 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3hgm s GLY 95 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.08 3hgm n GLY 96 N 1.41 0.64 3.64 0.20 0.00 0.61 -4.88 105.19 106.80 3hgm n GLY 96 Ca -0.09 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3hgm n GLY 96 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hgm s ARG 97 N -2.00 4.04 0.08 1.61 6.06 -1.26 -4.23 118.95 123.25 3hgm s ARG 97 Ca 0.00 1.11 -0.23 0.00 -2.50 0.00 0.00 55.73 54.12 3hgm s ARG 97 Cb 0.00 -3.77 -0.09 0.00 0.06 0.00 0.00 34.95 31.16 3hgm s ARG 97 CO 0.00 -0.95 1.37 -1.35 -2.50 0.00 0.00 175.30 171.87 3hgm h PRO 98 N 8.34 -0.36 -0.22 5.12 0.11 -1.92 0.37 132.00 143.43 3hgm h PRO 98 Ca -0.22 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.96 3hgm h PRO 98 Cb 1.07 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3hgm h PRO 98 CO 1.03 -0.24 -0.02 0.77 -0.21 0.00 0.00 178.00 179.33 3hgm h SER 99 N -0.38 -0.14 -0.19 -2.05 0.02 -1.94 0.25 113.55 109.12 3hgm h SER 99 Ca 0.02 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3hgm h SER 99 Cb 0.45 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3hgm h SER 99 CO -0.31 -0.04 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.24 3hgm h ARG 100 N 0.04 0.04 -0.59 3.45 2.43 -1.95 -2.21 114.38 115.60 3hgm h ARG 100 Ca 0.11 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3hgm h ARG 100 Cb 0.15 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3hgm h ARG 100 CO -0.20 0.03 -0.04 1.15 -1.51 0.00 0.00 179.97 179.39 3hgm h THR 101 N 0.04 1.27 -0.09 0.20 2.02 0.41 -1.28 112.91 115.47 3hgm h THR 101 Ca 0.09 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 3hgm h THR 101 Cb 0.12 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3hgm h THR 101 CO -0.17 0.43 0.05 0.40 0.37 0.00 0.00 175.52 176.60 3hgm h ILE 102 N 0.96 1.09 -0.54 3.11 2.04 -0.45 -0.27 117.51 123.46 3hgm h ILE 102 Ca 0.16 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3hgm h ILE 102 Cb 0.61 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3hgm h ILE 102 CO 0.04 0.08 0.15 0.58 0.00 0.00 0.00 178.15 179.00 3hgm h VAL 103 N 0.05 1.24 -0.44 1.67 2.07 -1.29 -0.36 116.25 119.19 3hgm h VAL 103 Ca 0.03 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3hgm h VAL 103 Cb 0.09 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hgm h VAL 103 CO -0.00 0.31 0.22 0.03 0.02 0.00 0.00 177.57 178.14 3hgm h ARG 104 N 0.75 0.63 -0.23 1.57 3.08 -1.16 -2.12 114.38 116.91 3hgm h ARG 104 Ca 0.17 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3hgm h ARG 104 Cb 0.31 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3hgm h ARG 104 CO -0.00 0.53 0.15 0.35 -1.07 0.00 0.00 179.97 179.93 3hgm h PHE 105 N 0.58 0.29 -0.73 3.04 3.57 -0.84 0.37 116.94 123.22 3hgm h PHE 105 Ca 0.15 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.72 3hgm h PHE 105 Cb 0.10 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 3hgm h PHE 105 CO -0.01 0.20 0.42 0.00 -2.23 0.00 0.00 178.31 176.68 3hgm h ALA 106 N 1.07 1.00 -0.02 2.41 0.00 -0.93 -0.16 119.26 122.63 3hgm h ALA 106 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hgm h ALA 106 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hgm h ALA 106 CO -0.02 0.10 -0.02 -0.09 0.00 0.00 0.00 179.25 179.23 3hgm h ARG 107 N 0.76 0.04 -0.77 0.00 2.43 -1.14 -1.19 114.38 114.51 3hgm h ARG 107 Ca 0.33 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3hgm h ARG 107 Cb 0.22 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3hgm h ARG 107 CO -0.19 0.50 0.50 0.87 -1.51 0.00 0.00 179.97 180.13 3hgm h LYS 108 N -0.41 1.02 -0.09 0.20 1.57 -0.69 -2.57 116.57 115.60 3hgm h LYS 108 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3hgm h LYS 108 Cb 0.49 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3hgm h LYS 108 CO 0.00 0.69 0.00 0.54 -0.57 0.00 0.00 179.45 180.11 3hgm n ARG 109 N -4.53 1.55 -3.77 3.15 5.12 -0.09 -4.93 116.66 113.15 3hgm n ARG 109 Ca 0.07 -0.82 -0.27 0.00 -1.93 0.00 0.00 57.85 54.90 3hgm n ARG 109 Cb 0.03 -1.41 0.05 0.00 -1.16 0.00 0.00 32.46 29.97 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 0.03 -6.37 -2.22 5.56 1.02 -0.97 -4.96 120.64 112.72 3hgm n GLU 110 Ca 0.17 0.69 -0.41 0.00 -0.02 0.00 0.00 57.16 57.59 3hgm n GLU 110 Cb 0.28 -5.62 -0.03 0.00 -0.02 0.00 0.00 31.44 26.05 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 2.12 3.32 -3.66 0.00 5.68 -0.47 -4.78 116.55 118.76 3hgm n ASP 112 Ca 0.04 -1.95 -0.14 0.00 -0.50 0.00 0.00 54.79 52.25 3hgm n ASP 112 Cb 0.43 -0.29 -0.08 0.00 -1.14 0.00 0.00 41.12 40.03 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 -1.14 -0.32 -0.11 -2.12 2.96 -1.19 -4.20 118.68 112.55 3hgm s LEU 113 Ca 0.35 1.18 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 3hgm s LEU 113 Cb 0.19 2.10 -0.01 0.00 0.50 0.00 0.00 46.19 48.97 3hgm s LEU 113 CO 0.26 -0.24 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.18 3hgm s VAL 114 N 0.20 2.61 -0.24 1.68 1.01 -0.62 -0.57 120.40 124.48 3hgm s VAL 114 Ca -0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3hgm s VAL 114 Cb -0.04 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3hgm s VAL 114 CO 0.01 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 3hgm s VAL 115 N 0.28 2.96 0.05 2.92 1.01 0.62 0.00 120.40 128.24 3hgm s VAL 115 Ca -0.13 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3hgm s VAL 115 Cb -0.16 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3hgm s VAL 115 CO 0.07 0.26 -0.11 -0.51 0.00 0.00 0.00 175.10 174.81 3hgm s ILE 116 N 1.36 0.85 0.45 2.22 2.07 0.08 -3.88 121.20 124.36 3hgm s ILE 116 Ca 0.02 -1.12 -0.23 0.00 -1.41 0.00 0.00 60.65 57.90 3hgm s ILE 116 Cb -0.16 -0.84 -0.07 0.00 0.13 0.00 0.00 42.46 41.51 3hgm s ILE 116 CO -0.05 -0.24 1.19 -0.83 -1.91 0.00 0.00 174.94 173.10 3hgm s GLY 117 N -1.51 2.81 0.24 1.50 0.00 -1.26 -0.80 107.32 108.30 3hgm s GLY 117 Ca -0.04 0.98 -0.04 0.00 0.00 0.00 0.00 44.72 45.62 3hgm s GLY 117 CO 0.01 1.46 1.77 0.00 0.00 0.00 0.00 173.10 176.34 3hgm h ALA 118 N 2.12 1.08 -2.31 3.20 0.00 -0.79 -3.43 119.26 119.14 3hgm h ALA 118 Ca -0.49 -0.24 -0.33 0.00 0.00 0.00 0.00 54.91 53.85 3hgm h ALA 118 Cb 1.25 -0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 3hgm h ALA 118 CO 0.60 0.60 -0.63 -0.65 0.00 0.00 0.00 179.25 179.17 3hgm s GLN 119 N -5.20 1.31 0.00 0.00 -0.21 -1.26 -0.57 119.66 113.72 3hgm s GLN 119 Ca -0.11 -1.68 0.00 0.00 0.02 0.00 0.00 55.36 53.59 3hgm s GLN 119 Cb 0.15 -0.28 0.00 0.00 1.00 0.00 0.00 33.01 33.88 3hgm s GLN 119 CO 0.82 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 174.17 3hgm n GLY 120 N -0.39 4.78 0.27 3.09 0.00 -1.26 -4.22 105.19 107.46 3hgm n GLY 120 Ca -0.02 -0.78 0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 0.25 -0.86 2.61 1.35 -1.95 -1.79 112.91 112.53 3hgm h THR 121 Ca 0.00 -0.54 -0.37 0.00 -0.55 0.00 0.00 66.41 64.94 3hgm h THR 121 Cb 0.00 1.43 -0.22 0.00 -1.73 0.00 0.00 68.15 67.62 3hgm h THR 121 CO 0.00 0.07 0.47 0.59 -0.25 0.00 0.00 175.52 176.41 3hgm n ASN 122 N -3.29 4.19 -4.70 5.36 3.02 -1.26 -5.03 115.26 113.55 3hgm n ASN 122 Ca -0.01 -3.38 -0.33 0.00 -0.03 0.00 0.00 54.58 50.83 3hgm n ASN 122 Cb 0.27 -0.79 0.12 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.09 2.13 0.27 7.41 0.00 -0.67 -5.04 107.32 110.32 3hgm s GLY 123 Ca 0.54 0.80 -0.14 0.00 0.00 0.00 0.00 44.72 45.92 3hgm s GLY 123 CO 0.12 1.22 0.72 2.09 0.00 0.00 0.00 173.10 177.25 3hgm n ASP 124 N -3.30 -1.76 0.18 1.64 5.68 -1.26 -5.02 116.55 112.71 3hgm n ASP 124 Ca 0.13 -2.14 0.13 0.00 -0.50 0.00 0.00 54.79 52.42 3hgm n ASP 124 Cb 0.51 2.92 0.64 0.00 -1.14 0.00 0.00 41.12 44.04 3hgm n ASP 124 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3hgm h LYS 125 N 0.00 0.00 -7.11 0.11 1.63 -2.02 -3.45 116.57 105.73 3hgm h LYS 125 Ca -0.26 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.98 3hgm h LYS 125 Cb 1.02 0.00 0.16 0.00 -0.60 0.00 0.00 32.23 32.80 3hgm h LYS 125 CO 0.34 0.00 0.50 0.45 -3.45 0.00 0.00 179.45 177.29 3hgm s SER 126 N -4.44 4.59 -0.44 4.20 0.15 -1.26 -4.93 113.70 111.56 3hgm s SER 126 Ca 0.00 2.59 0.04 0.00 0.70 0.00 0.00 55.95 59.28 3hgm s SER 126 Cb 0.08 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.33 3hgm s SER 126 CO 0.34 -2.02 1.74 0.18 1.20 0.00 0.00 173.24 174.68 3hgm n LEU 127 N -1.97 6.02 -4.86 3.45 7.99 -1.26 -4.97 117.00 121.39 3hgm n LEU 127 Ca 0.16 -3.95 -0.36 0.00 -0.01 0.00 0.00 56.01 51.85 3hgm n LEU 127 Cb 0.48 -0.76 -0.06 0.00 -0.11 0.00 0.00 43.42 42.97 3hgm n LEU 127 CO 0.47 1.33 0.04 -0.76 -1.51 0.00 0.00 177.39 176.96 3hgm s LEU 128 N -3.45 4.40 0.17 2.23 1.02 -1.26 -5.06 118.68 116.73 3hgm s LEU 128 Ca 0.55 0.79 -0.30 0.00 0.02 0.00 0.00 54.13 55.18 3hgm s LEU 128 Cb 0.46 -2.72 -0.08 0.00 0.02 0.00 0.00 46.19 43.87 3hgm s LEU 128 CO 0.04 0.26 1.27 -0.22 0.02 0.00 0.00 176.35 177.72 3hgm s LEU 129 N -1.53 4.42 0.76 1.79 2.96 -1.26 -4.84 118.68 120.98 3hgm s LEU 129 Ca 0.27 2.30 -0.15 0.00 -0.22 0.00 0.00 54.13 56.34 3hgm s LEU 129 Cb -0.15 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.98 3hgm s LEU 129 CO 0.15 -0.49 1.06 0.61 -1.32 0.00 0.00 176.35 176.36 3hgm n GLY 130 N 2.54 -0.26 0.34 7.98 0.00 0.26 -4.77 105.19 111.29 3hgm n GLY 130 Ca 0.07 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 3hgm n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hgm h SER 131 N -0.48 1.05 -0.11 1.61 4.64 -1.94 0.01 113.55 118.33 3hgm h SER 131 Ca -0.47 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 3hgm h SER 131 Cb 1.32 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3hgm h SER 131 CO 0.47 0.84 -0.04 0.58 -0.87 0.00 0.00 176.83 177.80 3hgm h VAL 132 N 1.18 1.31 -0.47 0.95 2.07 -1.95 -1.68 116.25 117.66 3hgm h VAL 132 Ca 0.30 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.88 3hgm h VAL 132 Cb 0.01 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 3hgm h VAL 132 CO -0.05 0.29 0.03 0.00 0.02 0.00 0.00 177.57 177.86 3hgm h ALA 133 N 0.66 0.47 -0.45 1.67 0.00 -1.77 0.86 119.26 120.69 3hgm h ALA 133 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hgm h ALA 133 Cb 0.48 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3hgm h ALA 133 CO 0.01 -0.37 0.27 0.37 0.00 0.00 0.00 179.25 179.53 3hgm h GLN 134 N 0.14 0.52 -0.16 0.00 4.15 -0.88 0.49 115.11 119.38 3hgm h GLN 134 Ca 0.24 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 3hgm h GLN 134 Cb 0.34 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 3hgm h GLN 134 CO -0.37 0.35 -0.25 0.00 -1.93 0.00 0.00 178.83 176.63 3hgm h ARG 135 N 0.54 0.45 -0.08 1.69 3.08 -0.87 -2.72 114.38 116.48 3hgm h ARG 135 Ca 0.18 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hgm h ARG 135 Cb 0.01 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3hgm h ARG 135 CO -0.08 0.86 0.02 0.28 -1.07 0.00 0.00 179.97 179.98 3hgm h VAL 136 N 0.08 1.18 -0.95 2.04 2.07 -0.74 -1.04 116.25 118.89 3hgm h VAL 136 Ca 0.01 -0.53 0.15 0.00 0.82 0.00 0.00 66.70 67.16 3hgm h VAL 136 Cb 0.82 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 3hgm h VAL 136 CO 0.06 0.15 0.60 0.00 0.02 0.00 0.00 177.57 178.40 3hgm h ALA 137 N 0.83 1.75 -0.09 1.67 0.00 -0.97 -0.14 119.26 122.31 3hgm h ALA 137 Ca 0.03 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3hgm h ALA 137 Cb 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hgm h ALA 137 CO -0.00 -0.02 -0.81 0.78 0.00 0.00 0.00 179.25 179.20 3hgm h GLY 138 N 0.77 0.77 0.00 0.00 0.00 -1.17 -3.40 103.07 100.05 3hgm h GLY 138 Ca 0.49 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3hgm h GLY 138 CO -0.25 1.06 -1.26 -1.14 0.00 0.00 0.00 176.54 174.94 3hgm n SER 139 N -3.98 0.95 -4.75 0.19 3.41 -0.42 -4.99 113.62 104.03 3hgm n SER 139 Ca -0.09 -0.46 -0.39 0.00 -0.26 0.00 0.00 58.87 57.67 3hgm n SER 139 Cb 0.76 1.37 0.03 0.00 -0.26 0.00 0.00 64.21 66.11 3hgm n SER 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hgm n ALA 140 N -1.73 1.85 0.23 7.33 0.00 -0.10 -4.90 120.51 123.20 3hgm n ALA 140 Ca 0.00 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.77 3hgm n ALA 140 Cb 0.34 -2.38 0.33 0.00 0.00 0.00 0.00 19.45 17.75 3hgm n ALA 140 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3hgm h HIS 141 N 1.93 0.00 -1.39 0.00 2.07 -1.90 -3.46 115.15 112.40 3hgm h HIS 141 Ca -0.51 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.42 3hgm h HIS 141 Cb 1.28 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.17 3hgm h HIS 141 CO 0.48 0.04 -0.51 0.00 -3.07 0.00 0.00 177.93 174.87 3hgm s PRO 143 N -3.89 2.94 -0.18 0.00 0.02 -1.26 -4.83 135.00 127.81 3hgm s PRO 143 Ca 0.35 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.38 3hgm s PRO 143 Cb 0.05 -2.02 0.03 0.00 0.02 0.00 0.00 34.50 32.58 3hgm s PRO 143 CO 0.19 -1.28 -0.13 0.08 -0.33 0.00 0.00 177.00 175.54 3hgm s VAL 144 N -1.45 1.68 -0.45 3.83 1.01 -1.26 -1.58 120.40 122.18 3hgm s VAL 144 Ca 0.77 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 3hgm s VAL 144 Cb -0.35 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.39 3hgm s VAL 144 CO 0.39 0.31 0.71 -0.22 0.00 0.00 0.00 175.10 176.29 3hgm s LEU 145 N 1.41 4.42 -0.31 3.92 2.96 0.10 -4.99 118.68 126.19 3hgm s LEU 145 Ca 0.02 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.45 3hgm s LEU 145 Cb -0.15 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 3hgm s LEU 145 CO -0.10 -0.86 0.54 -0.69 -1.32 0.00 0.00 176.35 173.93 3hgm s VAL 146 N 3.04 5.01 -1.58 1.68 1.01 -1.26 -0.74 120.40 127.55 3hgm s VAL 146 Ca 0.25 0.63 0.13 0.00 0.00 0.00 0.00 61.98 62.99 3hgm s VAL 146 Cb -0.14 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.41 3hgm s VAL 146 CO 0.20 -0.11 0.90 0.52 0.00 0.00 0.00 175.10 176.61