#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgx s SER 4 N 0.00 0.13 0.45 6.43 0.15 -1.26 -4.79 113.70 114.81 2hgx s SER 4 Ca 0.00 -0.69 -0.21 0.00 0.70 0.00 0.00 55.95 55.74 2hgx s SER 4 Cb 0.00 0.34 -0.09 0.00 -1.71 0.00 0.00 66.02 64.56 2hgx s SER 4 CO 0.00 -0.74 1.03 0.72 1.20 0.00 0.00 173.24 175.45 2hgx s PHE 5 N -3.87 3.11 -0.01 3.44 -0.12 -1.26 -4.94 117.98 114.33 2hgx s PHE 5 Ca 0.06 1.60 0.05 0.00 -0.05 0.00 0.00 56.93 58.59 2hgx s PHE 5 Cb 0.05 -3.06 -0.03 0.00 -0.63 0.00 0.00 43.02 39.35 2hgx s PHE 5 CO -0.10 -0.70 -0.15 0.15 -0.05 0.00 0.00 175.22 174.37 2hgx s LYS 6 N -3.00 2.34 0.46 1.99 3.01 -1.26 -4.78 119.74 118.50 2hgx s LYS 6 Ca 0.64 -0.81 0.30 0.00 -1.01 0.00 0.00 55.97 55.09 2hgx s LYS 6 Cb -0.17 -2.31 1.17 0.00 -1.01 0.00 0.00 37.83 35.51 2hgx s LYS 6 CO 0.22 0.59 1.88 0.00 0.51 0.00 0.00 175.35 178.55 2hgx h ALA 7 N 4.96 1.00 0.00 5.17 0.00 -1.97 -2.17 119.26 126.25 2hgx h ALA 7 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2hgx h ALA 7 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2hgx h ALA 7 CO 0.50 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 179.56 2hgx h ALA 8 N 2.08 0.94 -0.56 0.00 0.00 -1.96 -2.84 119.26 116.92 2hgx h ALA 8 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hgx h ALA 8 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2hgx h ALA 8 CO 0.00 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 2hgx n ASP 9 N -3.23 3.57 -4.69 0.00 10.43 -0.82 -4.99 116.55 116.82 2hgx n ASP 9 Ca 0.02 -2.19 -0.42 0.00 2.57 0.00 0.00 54.79 54.76 2hgx n ASP 9 Cb 0.50 -0.46 -0.03 0.00 1.84 0.00 0.00 41.12 42.97 2hgx n ASP 9 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2hgx s LEU 10 N -1.31 4.40 -0.18 0.64 2.96 -1.08 -4.38 118.68 119.73 2hgx s LEU 10 Ca 0.40 2.72 -0.18 0.00 -0.22 0.00 0.00 54.13 56.85 2hgx s LEU 10 Cb 0.24 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 2hgx s LEU 10 CO 0.23 -0.99 0.51 -1.58 -1.32 0.00 0.00 176.35 173.20 2hgx s GLN 11 N 2.83 4.22 -0.24 1.98 0.74 0.39 -5.02 119.66 124.58 2hgx s GLN 11 Ca 0.80 0.42 -0.05 0.00 0.05 0.00 0.00 55.36 56.58 2hgx s GLN 11 Cb -0.45 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.12 2hgx s GLN 11 CO 0.36 -0.08 -0.00 -0.51 -0.55 0.00 0.00 175.29 174.51 2hgx s LEU 12 N 1.41 3.14 -0.36 3.68 1.43 -1.26 -1.11 118.68 125.61 2hgx s LEU 12 Ca 0.24 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2hgx s LEU 12 Cb -0.15 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.38 2hgx s LEU 12 CO 0.10 -0.05 0.15 -0.70 0.23 0.00 0.00 176.35 176.09 2hgx s GLU 13 N 1.51 0.95 0.49 1.70 2.12 -0.30 -5.00 118.70 120.17 2hgx s GLU 13 Ca 0.05 -1.47 -0.21 0.00 0.36 0.00 0.00 54.97 53.70 2hgx s GLU 13 Cb -0.15 -2.14 -0.08 0.00 0.26 0.00 0.00 34.13 32.03 2hgx s GLU 13 CO -0.01 -1.06 1.08 -1.64 -0.54 0.00 0.00 175.26 173.09 2hgx s MET 14 N 1.08 3.72 0.36 4.30 -1.94 -1.26 -3.76 119.30 121.80 2hgx s MET 14 Ca 0.13 1.49 -0.25 0.00 -1.71 0.00 0.00 55.69 55.35 2hgx s MET 14 Cb -0.20 -2.16 -0.09 0.00 2.01 0.00 0.00 34.83 34.39 2hgx s MET 14 CO -0.13 -0.52 1.02 -0.08 -0.01 0.00 0.00 175.02 175.30 2hgx s THR 15 N -1.84 3.84 -0.09 2.05 -1.32 -1.26 -4.87 115.64 112.14 2hgx s THR 15 Ca 0.67 1.49 0.03 0.00 -1.21 0.00 0.00 61.69 62.67 2hgx s THR 15 Cb -0.20 -3.81 -0.01 0.00 -1.51 0.00 0.00 72.50 66.97 2hgx s THR 15 CO 0.24 0.09 -0.20 -1.10 -2.21 0.00 0.00 174.62 171.44 2hgx s GLN 16 N -2.24 2.95 -0.37 7.08 -0.21 -1.26 -4.77 119.66 120.84 2hgx s GLN 16 Ca 0.54 -0.80 -0.02 0.00 0.02 0.00 0.00 55.36 55.09 2hgx s GLN 16 Cb -0.22 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.42 2hgx s GLN 16 CO 0.28 0.30 0.38 1.63 -2.12 0.00 0.00 175.29 175.76 2hgx n LYS 17 N 3.21 -0.90 -1.32 2.91 5.02 -1.26 -5.04 118.16 120.78 2hgx n LYS 17 Ca -0.18 1.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.97 2hgx n LYS 17 Cb 0.53 -3.90 0.12 0.00 -0.02 0.00 0.00 35.03 31.75 2hgx n LYS 17 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2hgx s PRO 18 N -2.71 1.63 0.33 1.97 0.02 -1.26 -5.07 135.00 129.90 2hgx s PRO 18 Ca 0.04 0.80 -0.01 0.00 0.02 0.00 0.00 61.00 61.85 2hgx s PRO 18 Cb -0.01 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2hgx s PRO 18 CO 0.43 -1.98 0.55 -1.01 -0.33 0.00 0.00 177.00 174.66 2hgx s HIS 19 N -3.00 3.50 -0.07 6.54 3.76 -1.26 -5.06 115.29 119.70 2hgx s HIS 19 Ca 0.62 0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 55.69 2hgx s HIS 19 Cb -0.17 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2hgx s HIS 19 CO 0.56 0.13 1.30 0.15 -0.85 0.00 0.00 174.74 176.02 2hgx s LYS 20 N -4.08 4.29 0.14 1.40 1.02 -1.26 -5.01 119.74 116.24 2hgx s LYS 20 Ca 0.41 1.78 -0.30 0.00 0.02 0.00 0.00 55.97 57.88 2hgx s LYS 20 Cb -0.10 -3.64 -0.07 0.00 -0.52 0.00 0.00 37.83 33.50 2hgx s LYS 20 CO 0.35 -0.57 1.05 0.15 -0.92 0.00 0.00 175.35 175.40 2hgx s LYS 21 N 2.71 4.63 0.66 1.68 1.02 -1.26 -5.05 119.74 124.13 2hgx s LYS 21 Ca 0.59 1.61 -0.11 0.00 0.02 0.00 0.00 55.97 58.08 2hgx s LYS 21 Cb -0.26 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 2hgx s LYS 21 CO 0.22 0.11 1.06 -1.25 -0.92 0.00 0.00 175.35 174.57 2hgx s PRO 22 N -0.13 3.28 0.37 -1.68 0.04 -1.26 -5.10 135.00 130.51 2hgx s PRO 22 Ca 0.49 0.63 0.06 0.00 0.04 0.00 0.00 61.00 62.22 2hgx s PRO 22 Cb -0.27 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2hgx s PRO 22 CO 0.32 -0.77 0.22 0.20 0.04 0.00 0.00 177.00 177.02 2hgx s GLY 23 N -4.25 2.49 0.00 0.56 0.00 -1.26 -5.02 107.32 99.84 2hgx s GLY 23 Ca 0.56 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2hgx s GLY 23 CO 0.53 -1.62 0.36 -1.05 0.00 0.00 0.00 173.10 171.32 2hgx n PRO 24 N -0.76 0.49 0.10 2.90 -0.02 -1.26 -2.93 135.00 133.52 2hgx n PRO 24 Ca 0.02 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.52 2hgx n PRO 24 Cb 0.63 -1.25 -0.01 0.00 -0.02 0.00 0.00 33.50 32.85 2hgx n PRO 24 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2hgx h GLY 25 N 2.97 0.00 -6.60 -1.23 0.00 -2.02 -3.41 103.07 92.78 2hgx h GLY 25 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 2hgx h GLY 25 CO 0.00 0.00 -0.67 1.85 0.00 0.00 0.00 176.54 177.72 2hgx s GLU 26 N -2.97 0.28 -0.33 4.80 2.12 -1.15 -5.11 118.70 116.34 2hgx s GLU 26 Ca 0.02 -0.19 -0.28 0.00 0.36 0.00 0.00 54.97 54.87 2hgx s GLU 26 Cb 0.08 -0.83 -0.03 0.00 0.26 0.00 0.00 34.13 33.61 2hgx s GLU 26 CO 0.77 -0.99 1.93 -2.14 -0.54 0.00 0.00 175.26 174.29 2hgx s PRO 27 N 2.30 3.19 0.51 4.30 0.02 -1.26 -4.73 135.00 139.32 2hgx s PRO 27 Ca 0.09 1.52 -0.23 0.00 0.02 0.00 0.00 61.00 62.40 2hgx s PRO 27 Cb -0.15 -4.27 -0.06 0.00 0.02 0.00 0.00 34.50 30.05 2hgx s PRO 27 CO -0.32 -2.03 1.33 -0.48 -0.33 0.00 0.00 177.00 175.17 2hgx s LEU 28 N 7.59 3.94 0.43 -5.54 0.05 -1.26 -5.04 118.68 118.86 2hgx s LEU 28 Ca 0.85 2.69 -0.16 0.00 0.05 0.00 0.00 54.13 57.56 2hgx s LEU 28 Cb -0.24 -4.19 -0.09 0.00 -2.05 0.00 0.00 46.19 39.62 2hgx s LEU 28 CO 0.33 -1.35 0.89 -0.69 -0.55 0.00 0.00 176.35 174.98 2hgx s VAL 29 N -1.33 4.57 0.07 1.48 1.01 -1.25 -4.61 120.40 120.34 2hgx s VAL 29 Ca 0.68 1.13 -0.32 0.00 0.00 0.00 0.00 61.98 63.47 2hgx s VAL 29 Cb -0.39 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 2hgx s VAL 29 CO 0.47 -0.46 1.83 0.33 0.00 0.00 0.00 175.10 177.26 2hgx n PHE 30 N -1.04 2.48 -2.94 5.22 7.35 -1.26 -3.22 117.46 124.06 2hgx n PHE 30 Ca 0.05 -0.08 -0.22 0.00 -0.76 0.00 0.00 57.45 56.44 2hgx n PHE 30 Cb 0.54 -2.70 0.03 0.00 0.35 0.00 0.00 39.48 37.70 2hgx n PHE 30 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hgx n GLY 31 N 4.19 -0.52 0.00 7.13 0.00 -1.26 -4.91 105.19 109.83 2hgx n GLY 31 Ca 0.19 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.37 2hgx n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgx n LYS 32 N -3.88 1.34 -4.61 1.61 5.02 -1.20 -4.97 118.16 111.47 2hgx n LYS 32 Ca -0.13 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.76 2hgx n LYS 32 Cb 0.63 -1.15 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 2hgx n LYS 32 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hgx s THR 33 N -2.44 3.30 0.24 -0.18 2.01 -1.26 -5.08 115.64 112.23 2hgx s THR 33 Ca -0.01 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.52 2hgx s THR 33 Cb 0.06 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 2hgx s THR 33 CO 0.40 0.51 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.36 2hgx s PHE 34 N 0.44 2.51 0.88 4.92 0.40 -1.26 -3.80 117.98 122.06 2hgx s PHE 34 Ca -0.08 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 55.85 2hgx s PHE 34 Cb -0.15 -1.14 0.16 0.00 0.51 0.00 0.00 43.02 42.39 2hgx s PHE 34 CO 0.04 0.62 1.23 0.95 0.70 0.00 0.00 175.22 178.76 2hgx s THR 35 N -2.17 2.04 0.29 0.64 -4.23 -0.89 -4.98 115.64 106.34 2hgx s THR 35 Ca 0.28 -0.10 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 2hgx s THR 35 Cb -0.07 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.86 2hgx s THR 35 CO 0.16 0.00 1.68 0.44 -0.54 0.00 0.00 174.62 176.37 2hgx h ASP 36 N -1.31 0.26 -2.06 3.99 3.32 -1.95 -3.43 116.42 115.23 2hgx h ASP 36 Ca -0.44 -0.11 -0.60 0.00 0.02 0.00 0.00 57.03 55.90 2hgx h ASP 36 Cb 1.26 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 2hgx h ASP 36 CO 0.45 0.66 -0.65 -1.00 -1.72 0.00 0.00 179.24 176.98 2hgx s HIS 37 N -4.11 2.35 0.06 4.55 3.76 -1.26 -0.44 115.29 120.21 2hgx s HIS 37 Ca -0.04 -0.60 -0.08 0.00 -0.15 0.00 0.00 55.06 54.18 2hgx s HIS 37 Cb 0.13 -1.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.36 2hgx s HIS 37 CO 0.77 0.47 0.17 0.00 -0.85 0.00 0.00 174.74 175.30 2hgx s MET 38 N -3.67 0.75 -0.03 1.40 0.23 -0.54 -4.61 119.30 112.83 2hgx s MET 38 Ca 0.33 -0.84 -0.03 0.00 -1.03 0.00 0.00 55.69 54.12 2hgx s MET 38 Cb 0.05 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2hgx s MET 38 CO 0.16 -0.22 0.16 -1.17 -2.03 0.00 0.00 175.02 171.92 2hgx s LEU 39 N -2.52 4.32 -0.09 0.18 2.96 -0.71 -1.73 118.68 121.08 2hgx s LEU 39 Ca 0.01 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2hgx s LEU 39 Cb 0.02 -2.46 0.05 0.00 0.50 0.00 0.00 46.19 44.30 2hgx s LEU 39 CO -0.08 0.29 0.20 -0.32 -1.32 0.00 0.00 176.35 175.13 2hgx s MET 40 N -1.72 0.14 -0.04 1.98 -2.45 0.31 -1.91 119.30 115.61 2hgx s MET 40 Ca 0.24 0.51 -0.00 0.00 -1.25 0.00 0.00 55.69 55.19 2hgx s MET 40 Cb -0.12 -0.15 0.03 0.00 1.25 0.00 0.00 34.83 35.83 2hgx s MET 40 CO 0.15 -0.20 0.01 0.08 1.05 0.00 0.00 175.02 176.11 2hgx s VAL 41 N 1.50 0.19 -0.07 10.11 1.01 0.67 -0.55 120.40 133.27 2hgx s VAL 41 Ca -0.07 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 2hgx s VAL 41 Cb -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2hgx s VAL 41 CO -0.07 0.17 0.07 -1.61 0.00 0.00 0.00 175.10 173.66 2hgx s GLU 42 N 1.29 3.15 0.06 2.72 2.02 -1.26 -0.48 118.70 126.19 2hgx s GLU 42 Ca -0.06 -0.35 0.08 0.00 0.02 0.00 0.00 54.97 54.65 2hgx s GLU 42 Cb -0.13 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 2hgx s GLU 42 CO -0.02 0.71 -0.22 -0.46 0.02 0.00 0.00 175.26 175.28 2hgx s TRP 43 N -1.04 1.90 0.25 1.61 -0.00 0.11 -0.65 118.94 121.12 2hgx s TRP 43 Ca 0.17 -0.39 -0.00 0.00 -0.00 0.00 0.00 56.10 55.88 2hgx s TRP 43 Cb -0.12 -1.12 -0.03 0.00 -0.00 0.00 0.00 33.47 32.21 2hgx s TRP 43 CO 0.07 0.13 0.24 0.54 -0.00 0.00 0.00 176.95 177.93 2hgx s ASN 44 N -1.34 0.58 0.59 5.86 2.20 -1.02 -1.04 114.94 120.77 2hgx s ASN 44 Ca 0.08 -1.44 0.29 0.00 -0.94 0.00 0.00 52.86 50.85 2hgx s ASN 44 Cb -0.09 0.47 1.59 0.00 -2.00 0.00 0.00 41.25 41.22 2hgx s ASN 44 CO 0.02 -0.97 2.02 -2.24 -2.94 0.00 0.00 177.10 172.99 2hgx h ASP 45 N 2.41 0.00 0.50 3.54 2.03 -1.73 -0.26 116.42 122.91 2hgx h ASP 45 Ca -0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2hgx h ASP 45 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2hgx h ASP 45 CO 0.45 0.00 -0.15 0.29 -1.03 0.00 0.00 179.24 178.81 2hgx n LYS 46 N -3.75 0.46 0.00 4.15 4.01 -1.26 -5.03 118.16 116.74 2hgx n LYS 46 Ca 0.04 -0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 2hgx n LYS 46 Cb 0.45 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.47 2hgx n LYS 46 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2hgx n GLY 47 N 1.35 0.85 3.78 0.72 0.00 -0.11 -5.00 105.19 106.78 2hgx n GLY 47 Ca 0.12 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2hgx n GLY 47 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hgx s TRP 48 N -0.95 3.36 0.00 1.61 0.52 -1.26 -2.42 118.94 119.80 2hgx s TRP 48 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 56.10 57.79 2hgx s TRP 48 Cb 0.00 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 2hgx s TRP 48 CO 0.00 -0.46 0.00 0.41 0.02 0.00 0.00 176.95 176.92 2hgx n GLY 49 N 0.39 0.36 3.71 0.98 0.00 0.17 -4.88 105.19 105.92 2hgx n GLY 49 Ca 0.04 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2hgx n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hgx s GLN 50 N -2.14 4.49 0.26 1.61 0.74 -1.26 -4.78 119.66 118.57 2hgx s GLN 50 Ca 0.00 1.63 -0.29 0.00 0.05 0.00 0.00 55.36 56.75 2hgx s GLN 50 Cb 0.00 -3.39 -0.09 0.00 1.10 0.00 0.00 33.01 30.63 2hgx s GLN 50 CO 0.00 -0.16 1.14 -1.25 -0.55 0.00 0.00 175.29 174.46 2hgx s PRO 51 N 0.97 4.58 -0.02 1.67 0.04 -1.26 -4.67 135.00 136.32 2hgx s PRO 51 Ca 0.56 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.50 2hgx s PRO 51 Cb -0.26 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2hgx s PRO 51 CO 0.29 0.11 -0.18 1.03 0.04 0.00 0.00 177.00 178.29 2hgx s ARG 52 N -1.22 1.62 -0.34 4.56 0.52 0.29 -0.46 118.95 123.92 2hgx s ARG 52 Ca 0.47 -0.66 -0.09 0.00 -0.52 0.00 0.00 55.73 54.93 2hgx s ARG 52 Cb -0.33 -1.51 0.02 0.00 0.52 0.00 0.00 34.95 33.65 2hgx s ARG 52 CO 0.41 0.35 0.15 0.42 0.02 0.00 0.00 175.30 176.66 2hgx s ILE 53 N -0.29 4.37 0.21 1.52 1.01 -0.27 -0.53 121.20 127.23 2hgx s ILE 53 Ca 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2hgx s ILE 53 Cb -0.09 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 2hgx s ILE 53 CO 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 174.94 174.84 2hgx s GLN 54 N 1.54 1.26 0.66 2.79 -2.07 -0.71 -1.15 119.66 121.98 2hgx s GLN 54 Ca 0.02 -1.62 -0.17 0.00 -1.82 0.00 0.00 55.36 51.77 2hgx s GLN 54 Cb -0.18 -0.56 -0.00 0.00 -1.09 0.00 0.00 33.01 31.18 2hgx s GLN 54 CO 0.05 -0.08 1.25 -2.14 -1.32 0.00 0.00 175.29 173.06 2hgx s PRO 55 N -3.85 2.50 0.02 9.60 0.02 -1.25 -1.46 135.00 140.58 2hgx s PRO 55 Ca 0.26 1.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.91 2hgx s PRO 55 Cb 0.05 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 2hgx s PRO 55 CO 0.07 -1.60 1.90 0.12 -0.33 0.00 0.00 177.00 177.16 2hgx s PHE 56 N -1.61 1.42 0.21 6.54 5.36 0.42 -4.60 117.98 125.72 2hgx s PHE 56 Ca 0.79 -0.32 -0.12 0.00 -0.96 0.00 0.00 56.93 56.32 2hgx s PHE 56 Cb -0.34 -4.18 -0.00 0.00 -0.34 0.00 0.00 43.02 38.17 2hgx s PHE 56 CO 0.40 -5.22 0.42 1.14 -1.46 0.00 0.00 175.22 170.50 2hgx s GLN 57 N 4.39 1.38 0.64 10.12 -2.07 -1.26 -5.01 119.66 127.85 2hgx s GLN 57 Ca 0.85 -1.16 -0.15 0.00 -1.82 0.00 0.00 55.36 53.09 2hgx s GLN 57 Cb -0.41 0.45 -0.01 0.00 -1.09 0.00 0.00 33.01 31.95 2hgx s GLN 57 CO 0.39 -0.56 1.09 -0.80 -1.32 0.00 0.00 175.29 174.10 2hgx s ASN 58 N -2.98 5.31 0.22 12.60 0.01 -1.26 -5.04 114.94 123.80 2hgx s ASN 58 Ca 0.19 1.94 -0.14 0.00 -0.71 0.00 0.00 52.86 54.14 2hgx s ASN 58 Cb 0.01 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.05 2hgx s ASN 58 CO 0.04 -1.49 0.61 -0.76 -1.51 0.00 0.00 177.10 173.99 2hgx s LEU 59 N -4.77 4.23 -0.34 0.60 1.43 -1.26 -5.06 118.68 113.52 2hgx s LEU 59 Ca 0.66 1.12 -0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2hgx s LEU 59 Cb -0.19 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.51 2hgx s LEU 59 CO 0.40 -0.02 0.07 -0.89 0.23 0.00 0.00 176.35 176.14 2hgx s THR 60 N -1.68 2.82 0.00 5.49 2.01 -1.26 -5.10 115.64 117.93 2hgx s THR 60 Ca 0.45 -1.86 0.08 0.00 0.31 0.00 0.00 61.69 60.66 2hgx s THR 60 Cb -0.13 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2hgx s THR 60 CO 0.20 -0.41 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.72 2hgx s LEU 61 N 1.11 2.23 0.29 4.42 1.43 -1.26 -5.12 118.68 121.79 2hgx s LEU 61 Ca 0.03 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 2hgx s LEU 61 Cb -0.21 -1.37 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 2hgx s LEU 61 CO -0.04 0.30 1.37 -2.28 0.23 0.00 0.00 176.35 175.92 2hgx s HIS 62 N -0.72 3.02 -0.63 0.29 5.65 -1.26 -4.89 115.29 116.75 2hgx s HIS 62 Ca 0.11 1.24 0.11 0.00 0.25 0.00 0.00 55.06 56.77 2hgx s HIS 62 Cb -0.10 -3.75 0.58 0.00 -1.18 0.00 0.00 32.58 28.12 2hgx s HIS 62 CO 0.01 -2.25 1.33 -0.35 -0.65 0.00 0.00 174.74 172.84 2hgx n PRO 63 N 1.50 0.07 -0.29 2.88 -0.04 -1.26 -1.51 135.00 136.36 2hgx n PRO 63 Ca 0.03 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 2hgx n PRO 63 Cb 0.41 -1.72 0.27 0.00 -0.04 0.00 0.00 33.50 32.42 2hgx n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgx n ALA 64 N -1.63 2.39 -1.66 0.55 0.00 -1.26 -4.95 120.51 113.93 2hgx n ALA 64 Ca -0.00 -1.16 -0.51 0.00 0.00 0.00 0.00 53.44 51.76 2hgx n ALA 64 Cb 0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 2hgx n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgx n SER 65 N 1.54 2.64 0.17 0.00 2.88 -0.57 -3.50 113.62 116.78 2hgx n SER 65 Ca 0.22 1.06 0.11 0.00 -1.33 0.00 0.00 58.87 58.92 2hgx n SER 65 Cb 0.61 -1.27 0.56 0.00 -0.75 0.00 0.00 64.21 63.36 2hgx n SER 65 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2hgx n SER 66 N 4.59 0.54 0.18 -3.46 3.41 -0.98 -1.32 113.62 116.57 2hgx n SER 66 Ca 0.21 0.74 0.02 0.00 -0.26 0.00 0.00 58.87 59.58 2hgx n SER 66 Cb 0.22 -0.79 0.33 0.00 -0.26 0.00 0.00 64.21 63.71 2hgx n SER 66 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2hgx h SER 67 N 0.00 0.00 0.30 4.04 4.64 -1.68 -2.19 113.55 118.66 2hgx h SER 67 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2hgx h SER 67 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2hgx h SER 67 CO 0.00 0.41 -1.72 0.18 -0.87 0.00 0.00 176.83 174.84 2hgx n LEU 68 N -3.98 0.26 -0.12 5.97 4.77 -0.43 -3.85 117.00 119.61 2hgx n LEU 68 Ca -0.02 0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 2hgx n LEU 68 Cb 0.45 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2hgx n LEU 68 CO 0.39 -0.04 -1.31 1.41 -1.33 0.00 0.00 177.39 176.51 2hgx n HIS 69 N -2.40 0.00 -1.06 -1.77 8.25 -1.19 -4.71 115.22 112.33 2hgx n HIS 69 Ca -0.04 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.51 2hgx n HIS 69 Cb 0.59 -0.89 0.20 0.00 1.12 0.00 0.00 29.99 31.00 2hgx n HIS 69 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hgx n TYR 70 N -3.65 0.45 -4.02 4.41 4.01 -0.83 -5.01 117.16 112.51 2hgx n TYR 70 Ca -0.45 -0.98 -0.30 0.00 -0.16 0.00 0.00 57.90 56.01 2hgx n TYR 70 Cb 0.89 -0.24 -0.01 0.00 -0.31 0.00 0.00 39.34 39.68 2hgx n TYR 70 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2hgx n SER 71 N -1.02 -2.22 -4.43 7.72 2.88 -1.17 -4.86 113.62 110.52 2hgx n SER 71 Ca 0.19 -0.95 -0.43 0.00 -1.33 0.00 0.00 58.87 56.34 2hgx n SER 71 Cb 0.77 -3.18 0.00 0.00 -0.75 0.00 0.00 64.21 61.05 2hgx n SER 71 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hgx n LEU 72 N -4.44 5.30 -3.71 2.46 4.77 -1.17 -4.75 117.00 115.45 2hgx n LEU 72 Ca -0.11 -4.16 -0.14 0.00 -0.03 0.00 0.00 56.01 51.57 2hgx n LEU 72 Cb 0.59 -1.68 -0.09 0.00 -2.33 0.00 0.00 43.42 39.91 2hgx n LEU 72 CO 0.78 0.50 0.12 0.00 -1.33 0.00 0.00 177.39 177.46 2hgx s GLN 73 N 3.02 0.60 0.13 3.23 -2.07 -1.26 -0.01 119.66 123.31 2hgx s GLN 73 Ca 0.49 0.38 -0.09 0.00 -1.82 0.00 0.00 55.36 54.31 2hgx s GLN 73 Cb 0.03 0.29 -0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2hgx s GLN 73 CO 0.04 -0.12 0.25 -0.48 -1.32 0.00 0.00 175.29 173.66 2hgx s LEU 74 N -0.29 1.14 0.27 2.60 0.05 -0.70 -2.52 118.68 119.23 2hgx s LEU 74 Ca -0.04 -0.77 -0.09 0.00 0.05 0.00 0.00 54.13 53.27 2hgx s LEU 74 Cb -0.03 1.14 -0.00 0.00 -2.05 0.00 0.00 46.19 45.24 2hgx s LEU 74 CO 0.02 -0.82 0.45 0.72 -0.55 0.00 0.00 176.35 176.17 2hgx s PHE 75 N -3.92 0.61 0.17 3.48 -0.71 -0.80 -2.00 117.98 114.80 2hgx s PHE 75 Ca 0.12 -0.94 0.00 0.00 -1.04 0.00 0.00 56.93 55.07 2hgx s PHE 75 Cb 0.04 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 2hgx s PHE 75 CO -0.05 -1.01 0.05 -1.21 -1.34 0.00 0.00 175.22 171.66 2hgx s GLU 76 N -3.73 1.07 -0.20 1.99 0.41 -0.38 -4.74 118.70 113.13 2hgx s GLU 76 Ca 0.26 -1.53 -0.06 0.00 -0.41 0.00 0.00 54.97 53.23 2hgx s GLU 76 Cb 0.00 0.04 0.09 0.00 -1.78 0.00 0.00 34.13 32.48 2hgx s GLU 76 CO 0.12 -0.24 0.42 0.20 -0.49 0.00 0.00 175.26 175.27 2hgx s GLY 77 N -3.13 -0.37 0.06 -1.39 0.00 -1.26 -3.70 107.32 97.53 2hgx s GLY 77 Ca 0.28 1.46 -0.09 0.00 0.00 0.00 0.00 44.72 46.37 2hgx s GLY 77 CO 0.05 2.43 0.18 -3.16 0.00 0.00 0.00 173.10 172.60 2hgx s MET 78 N 2.61 0.75 0.04 2.90 0.23 -0.98 -4.91 119.30 119.94 2hgx s MET 78 Ca -0.00 -0.79 0.05 0.00 -1.03 0.00 0.00 55.69 53.92 2hgx s MET 78 Cb -0.12 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 2hgx s MET 78 CO -0.13 -0.22 -0.11 0.15 -2.03 0.00 0.00 175.02 172.67 2hgx s LYS 79 N -3.16 2.30 -0.13 3.16 1.02 -1.26 0.03 119.74 121.71 2hgx s LYS 79 Ca -0.00 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 2hgx s LYS 79 Cb 0.02 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2hgx s LYS 79 CO -0.07 0.56 -0.09 0.00 -0.92 0.00 0.00 175.35 174.83 2hgx s ALA 80 N -1.01 2.80 -0.03 5.17 0.00 0.17 -2.12 121.76 126.73 2hgx s ALA 80 Ca 0.17 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2hgx s ALA 80 Cb -0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 2hgx s ALA 80 CO 0.08 0.30 -0.23 -0.06 0.00 0.00 0.00 175.76 175.84 2hgx s PHE 81 N 0.14 2.43 -0.23 0.00 0.40 0.82 -1.15 117.98 120.39 2hgx s PHE 81 Ca -0.04 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.83 2hgx s PHE 81 Cb -0.14 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 2hgx s PHE 81 CO 0.04 -0.00 0.03 0.21 0.70 0.00 0.00 175.22 176.20 2hgx s LYS 82 N -0.60 3.61 0.85 0.44 2.20 -1.26 -0.75 119.74 124.23 2hgx s LYS 82 Ca 0.09 -0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.07 2hgx s LYS 82 Cb -0.10 -3.19 0.19 0.00 -1.51 0.00 0.00 37.83 33.21 2hgx s LYS 82 CO -0.00 -0.11 1.16 0.41 -0.36 0.00 0.00 175.35 176.45 2hgx n GLY 83 N 4.63 -1.06 0.22 5.54 0.00 -0.72 -4.64 105.19 109.16 2hgx n GLY 83 Ca -0.17 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.14 2hgx n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgx h LYS 84 N 0.00 0.00 -0.64 1.61 1.57 -1.90 -2.59 116.57 114.61 2hgx h LYS 84 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2hgx h LYS 84 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2hgx h LYS 84 CO 0.29 0.25 0.00 -0.40 -0.57 0.00 0.00 179.45 179.01 2hgx n ASP 85 N -4.04 2.25 -0.25 0.86 5.75 -1.26 -4.89 116.55 114.97 2hgx n ASP 85 Ca -0.02 -2.22 -0.03 0.00 -0.01 0.00 0.00 54.79 52.51 2hgx n ASP 85 Cb 0.32 -0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 2hgx n ASP 85 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgx n GLN 86 N 0.24 -1.43 -2.80 0.11 1.13 -0.98 -5.00 117.38 108.66 2hgx n GLN 86 Ca 0.10 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 2hgx n GLN 86 Cb 0.46 -4.66 -0.03 0.00 0.11 0.00 0.00 30.24 26.12 2hgx n GLN 86 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2hgx s GLN 87 N -1.89 4.40 -0.09 -1.09 2.00 -1.26 -4.81 119.66 116.92 2hgx s GLN 87 Ca 0.00 1.21 -0.13 0.00 -2.00 0.00 0.00 55.36 54.44 2hgx s GLN 87 Cb 0.00 -3.53 -0.05 0.00 0.80 0.00 0.00 33.01 30.23 2hgx s GLN 87 CO 0.00 -0.24 0.32 0.08 -0.50 0.00 0.00 175.29 174.96 2hgx s VAL 88 N 1.78 5.23 -0.01 1.34 1.01 -1.26 -1.75 120.40 126.73 2hgx s VAL 88 Ca 0.44 0.63 0.01 0.00 0.00 0.00 0.00 61.98 63.06 2hgx s VAL 88 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2hgx s VAL 88 CO 0.17 0.49 -0.03 -0.13 0.00 0.00 0.00 175.10 175.60 2hgx s ARG 89 N -0.32 0.32 -0.00 2.72 0.52 0.07 -0.91 118.95 121.35 2hgx s ARG 89 Ca 0.20 -0.10 -0.14 0.00 -0.52 0.00 0.00 55.73 55.17 2hgx s ARG 89 Cb -0.14 -0.35 -0.06 0.00 0.52 0.00 0.00 34.95 34.93 2hgx s ARG 89 CO 0.08 0.04 0.38 -0.51 0.02 0.00 0.00 175.30 175.31 2hgx s LEU 90 N 0.13 4.46 -0.38 2.53 1.43 0.31 -0.13 118.68 127.03 2hgx s LEU 90 Ca -0.01 0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 53.76 2hgx s LEU 90 Cb -0.04 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2hgx s LEU 90 CO -0.00 0.32 0.80 0.12 0.23 0.00 0.00 176.35 177.82 2hgx s PHE 91 N -1.11 3.08 -1.00 0.29 5.36 -0.90 -1.16 117.98 122.54 2hgx s PHE 91 Ca 0.24 0.51 -0.09 0.00 -0.96 0.00 0.00 56.93 56.63 2hgx s PHE 91 Cb -0.16 -3.48 0.01 0.00 -0.34 0.00 0.00 43.02 39.05 2hgx s PHE 91 CO 0.13 -0.79 0.17 0.54 -1.46 0.00 0.00 175.22 173.81 2hgx n ARG 92 N 6.52 -0.77 0.31 10.12 1.74 -0.19 -4.76 116.66 129.63 2hgx n ARG 92 Ca 0.03 -0.01 0.19 0.00 -0.77 0.00 0.00 57.85 57.29 2hgx n ARG 92 Cb 0.48 -2.10 0.99 0.00 -1.02 0.00 0.00 32.46 30.81 2hgx n ARG 92 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2hgx h PRO 93 N -0.94 0.00 -0.35 5.56 0.13 -1.82 -2.55 132.00 132.03 2hgx h PRO 93 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2hgx h PRO 93 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2hgx h PRO 93 CO 0.45 0.02 0.13 -1.49 -0.23 0.00 0.00 178.00 176.88 2hgx h TRP 94 N 0.00 0.48 -0.08 1.56 6.55 -1.96 -1.52 115.95 120.99 2hgx h TRP 94 Ca -0.00 -0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.69 2hgx h TRP 94 Cb 0.15 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 2hgx h TRP 94 CO 0.00 0.39 -0.56 -0.07 -1.05 0.00 0.00 178.44 177.15 2hgx h LEU 95 N 0.49 0.26 -0.51 -4.49 3.38 -1.83 -1.65 115.31 110.96 2hgx h LEU 95 Ca 0.12 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2hgx h LEU 95 Cb 0.11 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2hgx h LEU 95 CO -0.01 0.76 -0.67 0.78 0.09 0.00 0.00 178.44 179.39 2hgx h ASN 96 N 0.18 0.39 0.01 -0.43 2.35 -1.44 -1.82 115.58 114.82 2hgx h ASN 96 Ca -0.00 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.36 2hgx h ASN 96 Cb 1.04 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2hgx h ASN 96 CO 0.09 0.95 -0.49 0.24 -1.65 0.00 0.00 177.43 176.57 2hgx h MET 97 N 0.24 0.54 -0.24 0.81 2.86 -1.14 -0.51 114.93 117.49 2hgx h MET 97 Ca -0.02 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.28 2hgx h MET 97 Cb 1.22 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2hgx h MET 97 CO 0.11 0.91 0.04 -0.44 1.06 0.00 0.00 176.91 178.59 2hgx h ASP 98 N 0.43 0.38 -0.48 1.22 3.45 -1.15 -2.28 116.42 118.00 2hgx h ASP 98 Ca 0.02 -0.26 -0.09 0.00 0.43 0.00 0.00 57.03 57.13 2hgx h ASP 98 Cb 1.01 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.66 2hgx h ASP 98 CO 0.09 0.54 -0.03 -0.09 -1.57 0.00 0.00 179.24 178.18 2hgx h ARG 99 N 0.21 0.92 -0.54 3.56 2.43 -1.23 -2.54 114.38 117.19 2hgx h ARG 99 Ca 0.07 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2hgx h ARG 99 Cb 0.32 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2hgx h ARG 99 CO 0.00 0.93 0.17 1.98 -1.51 0.00 0.00 179.97 181.54 2hgx h MET 100 N 0.84 0.84 -0.33 0.20 4.05 -0.96 -1.03 114.93 118.53 2hgx h MET 100 Ca 0.15 -0.18 -0.10 0.00 -0.28 0.00 0.00 59.70 59.29 2hgx h MET 100 Cb 0.54 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2hgx h MET 100 CO 0.03 0.77 -0.21 1.25 0.23 0.00 0.00 176.91 178.98 2hgx h LEU 101 N 0.75 0.63 -0.58 3.39 5.85 -1.31 -0.98 115.31 123.06 2hgx h LEU 101 Ca 0.17 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 2hgx h LEU 101 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2hgx h LEU 101 CO -0.01 0.84 0.06 0.03 -0.34 0.00 0.00 178.44 179.02 2hgx h ARG 102 N 0.56 0.98 -0.72 1.25 3.08 -1.08 -1.56 114.38 116.88 2hgx h ARG 102 Ca 0.08 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 2hgx h ARG 102 Cb 0.67 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2hgx h ARG 102 CO 0.05 0.95 0.24 0.77 -1.07 0.00 0.00 179.97 180.92 2hgx h SER 103 N 0.88 1.03 -0.50 7.04 0.02 -0.95 -2.30 113.55 118.77 2hgx h SER 103 Ca 0.17 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2hgx h SER 103 Cb 0.47 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2hgx h SER 103 CO 0.02 0.94 0.23 0.00 -1.14 0.00 0.00 176.83 176.88 2hgx h ALA 104 N 1.20 0.64 -0.25 3.77 0.00 -0.77 -2.73 119.26 121.12 2hgx h ALA 104 Ca 0.24 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2hgx h ALA 104 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2hgx h ALA 104 CO -0.01 0.22 -0.21 0.52 0.00 0.00 0.00 179.25 179.78 2hgx h MET 105 N 0.66 0.45 -0.06 0.00 2.07 -1.06 -0.22 114.93 116.77 2hgx h MET 105 Ca 0.17 -0.15 -0.08 0.00 -2.07 0.00 0.00 59.70 57.56 2hgx h MET 105 Cb 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 2hgx h MET 105 CO -0.02 0.64 -0.34 -0.09 1.07 0.00 0.00 176.91 178.17 2hgx h ARG 106 N 0.41 0.12 -0.71 1.72 9.65 -1.17 -2.63 114.38 121.76 2hgx h ARG 106 Ca 0.07 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2hgx h ARG 106 Cb 0.59 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2hgx h ARG 106 CO 0.04 0.45 0.00 1.28 2.80 0.00 0.00 179.97 184.54 2hgx n LEU 107 N -4.10 4.09 -3.18 3.80 4.77 -1.01 -4.95 117.00 116.42 2hgx n LEU 107 Ca -0.02 -2.08 -0.23 0.00 -0.03 0.00 0.00 56.01 53.66 2hgx n LEU 107 Cb 0.41 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2hgx n LEU 107 CO 0.40 0.96 0.00 0.00 -1.33 0.00 0.00 177.39 177.42 2hgx s LEU 109 N -6.68 4.01 0.53 0.00 1.43 -0.14 -4.35 118.68 113.48 2hgx s LEU 109 Ca 0.36 0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 53.90 2hgx s LEU 109 Cb -0.17 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 2hgx s LEU 109 CO 0.44 -0.25 1.34 -0.81 0.23 0.00 0.00 176.35 177.29 2hgx n PRO 110 N -1.27 1.71 -1.97 1.29 -0.04 -1.26 -4.42 135.00 129.04 2hgx n PRO 110 Ca -0.02 0.63 -0.32 0.00 -0.04 0.00 0.00 63.50 63.74 2hgx n PRO 110 Cb 0.55 -2.54 0.01 0.00 -0.04 0.00 0.00 33.50 31.48 2hgx n PRO 110 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2hgx s SER 111 N -0.86 5.86 0.15 3.54 0.01 -1.26 -4.91 113.70 116.23 2hgx s SER 111 Ca 0.70 1.69 -0.13 0.00 1.31 0.00 0.00 55.95 59.52 2hgx s SER 111 Cb -0.43 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.30 2hgx s SER 111 CO 0.50 -1.11 0.36 0.72 0.41 0.00 0.00 173.24 174.13 2hgx s PHE 112 N -2.69 0.08 -0.25 2.43 -0.12 -1.26 -4.87 117.98 111.30 2hgx s PHE 112 Ca 0.61 -0.43 -0.22 0.00 -0.05 0.00 0.00 56.93 56.84 2hgx s PHE 112 Cb -0.14 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.38 2hgx s PHE 112 CO 0.42 -0.74 0.69 0.34 -0.05 0.00 0.00 175.22 175.88 2hgx s ASP 113 N -2.89 6.67 0.32 1.98 2.15 -1.26 -4.95 116.67 118.69 2hgx s ASP 113 Ca 0.10 0.82 0.04 0.00 0.43 0.00 0.00 52.55 53.94 2hgx s ASP 113 Cb 0.02 -2.37 0.65 0.00 -0.30 0.00 0.00 42.92 40.92 2hgx s ASP 113 CO -0.05 -0.41 1.89 0.11 -0.17 0.00 0.00 175.17 176.53 2hgx h LYS 114 N 7.80 0.86 0.00 4.34 1.57 -1.99 -2.21 116.57 126.94 2hgx h LYS 114 Ca -0.26 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 2hgx h LYS 114 Cb 1.11 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2hgx h LYS 114 CO 0.80 0.57 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.80 2hgx h LEU 115 N 0.88 0.00 -0.09 2.94 3.38 -1.98 -2.07 115.31 118.37 2hgx h LEU 115 Ca 0.42 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.15 2hgx h LEU 115 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2hgx h LEU 115 CO -0.18 0.39 -0.98 -0.33 0.09 0.00 0.00 178.44 177.42 2hgx h GLU 116 N 0.00 0.56 -0.45 1.13 4.39 -1.77 -2.07 114.58 116.38 2hgx h GLU 116 Ca -0.00 -0.60 -0.13 0.00 0.34 0.00 0.00 59.36 58.96 2hgx h GLU 116 Cb 1.21 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2hgx h GLU 116 CO 0.05 1.22 -0.25 1.25 -1.16 0.00 0.00 179.01 180.12 2hgx h LEU 117 N 0.32 0.97 -0.77 1.33 5.85 -1.39 -1.81 115.31 119.81 2hgx h LEU 117 Ca -0.10 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2hgx h LEU 117 Cb 1.63 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2hgx h LEU 117 CO 0.18 1.16 0.35 0.25 -0.34 0.00 0.00 178.44 180.04 2hgx h LEU 118 N 0.81 1.03 -0.74 2.25 5.85 -1.33 0.02 115.31 123.19 2hgx h LEU 118 Ca 0.10 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 2hgx h LEU 118 Cb 0.82 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2hgx h LEU 118 CO 0.07 0.89 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.70 2hgx h GLU 119 N 1.09 0.64 -0.35 1.25 4.57 -1.25 -0.05 114.58 120.49 2hgx h GLU 119 Ca 0.26 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2hgx h GLU 119 Cb 0.15 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2hgx h GLU 119 CO -0.03 0.86 -0.21 0.00 -1.18 0.00 0.00 179.01 178.44 2hgx h ILE 121 N 0.60 1.30 -0.48 0.00 2.04 -0.68 -1.95 117.51 118.34 2hgx h ILE 121 Ca 0.09 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 2hgx h ILE 121 Cb 0.69 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 2hgx h ILE 121 CO 0.05 0.55 0.17 -0.09 0.00 0.00 0.00 178.15 178.83 2hgx h ARG 122 N 0.52 0.73 -0.15 2.37 2.43 -0.67 -1.04 114.38 118.57 2hgx h ARG 122 Ca 0.02 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2hgx h ARG 122 Cb 1.08 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2hgx h ARG 122 CO 0.10 0.68 -0.17 0.00 -1.51 0.00 0.00 179.97 179.07 2hgx h ARG 123 N 0.64 0.25 -0.15 0.20 2.47 -1.12 0.21 114.38 116.88 2hgx h ARG 123 Ca 0.16 -0.07 -0.13 0.00 -1.26 0.00 0.00 59.98 58.68 2hgx h ARG 123 Cb 0.23 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2hgx h ARG 123 CO -0.01 0.43 -0.43 1.25 0.56 0.00 0.00 179.97 181.77 2hgx h LEU 124 N 0.24 0.64 -0.86 3.04 5.85 -0.92 -2.43 115.31 120.87 2hgx h LEU 124 Ca 0.04 -0.59 -0.12 0.00 0.84 0.00 0.00 57.88 58.06 2hgx h LEU 124 Cb 0.45 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2hgx h LEU 124 CO 0.03 1.12 -0.45 0.40 -0.34 0.00 0.00 178.44 179.20 2hgx h ILE 125 N 0.20 1.32 -0.77 4.05 2.04 -0.88 -2.33 117.51 121.14 2hgx h ILE 125 Ca -0.01 -1.62 -0.05 0.00 1.00 0.00 0.00 64.86 64.19 2hgx h ILE 125 Cb 1.05 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 2hgx h ILE 125 CO 0.09 0.48 0.30 -0.08 0.00 0.00 0.00 178.15 178.95 2hgx h GLU 126 N 0.22 1.15 -0.43 2.37 4.81 -0.92 0.15 114.58 121.94 2hgx h GLU 126 Ca 0.02 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 2hgx h GLU 126 Cb 0.88 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2hgx h GLU 126 CO 0.07 0.94 -0.20 0.28 -0.73 0.00 0.00 179.01 179.37 2hgx h VAL 127 N 1.12 1.27 -0.88 0.32 2.07 -1.24 -3.12 116.25 115.80 2hgx h VAL 127 Ca 0.26 -1.34 -0.50 0.00 0.82 0.00 0.00 66.70 65.94 2hgx h VAL 127 Cb 0.22 1.22 -0.28 0.00 -1.52 0.00 0.00 31.29 30.94 2hgx h VAL 127 CO -0.02 0.46 0.52 0.47 0.02 0.00 0.00 177.57 179.02 2hgx n ASP 128 N -4.19 4.39 -0.09 0.57 8.00 -0.89 -4.74 116.55 119.59 2hgx n ASP 128 Ca -0.01 -3.69 0.13 0.00 0.71 0.00 0.00 54.79 51.94 2hgx n ASP 128 Cb 0.44 -0.82 0.52 0.00 -0.02 0.00 0.00 41.12 41.24 2hgx n ASP 128 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2hgx h LYS 129 N 1.25 0.36 0.00 -1.24 1.57 -0.64 -2.09 116.57 115.77 2hgx h LYS 129 Ca 0.55 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2hgx h LYS 129 Cb 2.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.43 2hgx h LYS 129 CO 1.08 0.24 0.00 -0.25 -0.57 0.00 0.00 179.45 179.94 2hgx n ASP 130 N -4.46 0.00 0.13 0.86 10.43 -1.26 -2.87 116.55 119.37 2hgx n ASP 130 Ca 0.11 0.05 0.12 0.00 2.57 0.00 0.00 54.79 57.63 2hgx n ASP 130 Cb 0.42 -0.33 0.09 0.00 1.84 0.00 0.00 41.12 43.14 2hgx n ASP 130 CO 0.00 0.00 0.00 -0.50 -1.07 0.00 0.00 177.20 175.63 2hgx h TRP 131 N 0.00 0.00 -3.20 1.24 4.06 -1.76 -3.45 115.95 112.85 2hgx h TRP 131 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2hgx h TRP 131 Cb 0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.38 2hgx h TRP 131 CO 0.00 0.00 0.95 0.08 -3.56 0.00 0.00 178.44 175.91 2hgx s VAL 132 N -3.28 4.21 0.65 1.49 1.01 -1.14 -4.72 120.40 118.62 2hgx s VAL 132 Ca 0.03 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.24 2hgx s VAL 132 Cb 0.09 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2hgx s VAL 132 CO 0.74 -0.50 1.06 -2.16 0.00 0.00 0.00 175.10 174.23 2hgx s PRO 133 N 4.09 3.12 0.00 2.72 0.04 -1.26 -4.91 135.00 138.80 2hgx s PRO 133 Ca 0.54 1.07 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2hgx s PRO 133 Cb -0.15 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2hgx s PRO 133 CO 0.22 -0.96 0.71 -0.40 0.04 0.00 0.00 177.00 176.61 2hgx n ASP 134 N -2.61 1.54 -4.74 6.66 5.75 -1.26 -4.14 116.55 117.76 2hgx n ASP 134 Ca 0.08 -1.29 -0.30 0.00 -0.01 0.00 0.00 54.79 53.27 2hgx n ASP 134 Cb 0.53 -0.01 0.12 0.00 -1.03 0.00 0.00 41.12 40.73 2hgx n ASP 134 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgx s ALA 135 N -0.51 1.82 0.12 2.12 0.00 -1.26 -4.90 121.76 119.15 2hgx s ALA 135 Ca 0.07 0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 2hgx s ALA 135 Cb 0.05 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 2hgx s ALA 135 CO 0.07 -2.13 1.79 0.00 0.00 0.00 0.00 175.76 175.49 2hgx s ALA 136 N -2.91 3.76 -0.07 0.00 0.00 -1.26 -2.53 121.76 118.74 2hgx s ALA 136 Ca 0.63 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.00 2hgx s ALA 136 Cb -0.18 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2hgx s ALA 136 CO 0.57 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2hgx n GLY 137 N 4.18 0.44 3.75 0.00 0.00 -1.26 -5.00 105.19 107.31 2hgx n GLY 137 Ca 0.17 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2hgx n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hgx s THR 138 N -1.85 4.10 0.12 2.61 -4.23 -1.05 -4.27 115.64 111.06 2hgx s THR 138 Ca 0.00 -1.52 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 2hgx s THR 138 Cb 0.00 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.70 2hgx s THR 138 CO 0.00 -0.31 0.46 -1.54 -0.54 0.00 0.00 174.62 172.69 2hgx n SER 139 N -0.90 -0.91 -4.19 3.99 3.41 -0.61 -4.79 113.62 109.62 2hgx n SER 139 Ca -0.08 -1.53 -0.34 0.00 -0.26 0.00 0.00 58.87 56.66 2hgx n SER 139 Cb 0.58 1.49 -0.15 0.00 -0.26 0.00 0.00 64.21 65.87 2hgx n SER 139 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hgx s LEU 140 N 0.00 2.68 -0.10 1.04 2.96 -0.30 -0.78 118.68 124.17 2hgx s LEU 140 Ca 0.10 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 53.11 2hgx s LEU 140 Cb -0.02 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2hgx s LEU 140 CO 0.04 -0.05 0.75 -0.47 -1.32 0.00 0.00 176.35 175.30 2hgx s TYR 141 N 1.35 3.52 -0.20 5.38 5.04 0.13 -0.66 117.35 131.91 2hgx s TYR 141 Ca 0.03 1.25 -0.07 0.00 -2.44 0.00 0.00 57.07 55.85 2hgx s TYR 141 Cb -0.15 -2.88 -0.03 0.00 0.35 0.00 0.00 41.96 39.25 2hgx s TYR 141 CO -0.08 -0.04 0.05 0.08 -1.34 0.00 0.00 175.55 174.22 2hgx s VAL 142 N 1.30 4.46 -0.51 3.14 1.01 0.10 -0.62 120.40 129.29 2hgx s VAL 142 Ca 0.38 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2hgx s VAL 142 Cb -0.17 -3.03 0.13 0.00 0.00 0.00 0.00 36.38 33.31 2hgx s VAL 142 CO 0.16 0.43 0.27 -0.60 0.00 0.00 0.00 175.10 175.36 2hgx s ARG 143 N 0.78 1.87 0.25 2.72 6.06 -0.08 -2.32 118.95 128.23 2hgx s ARG 143 Ca 0.03 -2.55 -0.27 0.00 -2.50 0.00 0.00 55.73 50.44 2hgx s ARG 143 Cb -0.14 -3.13 -0.09 0.00 0.06 0.00 0.00 34.95 31.65 2hgx s ARG 143 CO 0.02 -1.13 0.88 -2.14 -2.50 0.00 0.00 175.30 170.43 2hgx s PRO 144 N -0.24 4.65 0.01 5.12 0.02 -1.24 -1.97 135.00 141.35 2hgx s PRO 144 Ca 0.18 1.30 0.01 0.00 0.02 0.00 0.00 61.00 62.51 2hgx s PRO 144 Cb -0.24 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.19 2hgx s PRO 144 CO -0.01 0.44 -0.02 0.08 -0.33 0.00 0.00 177.00 177.16 2hgx s VAL 145 N -1.35 0.16 -0.08 3.83 1.01 0.79 -1.25 120.40 123.51 2hgx s VAL 145 Ca 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2hgx s VAL 145 Cb -0.22 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2hgx s VAL 145 CO 0.27 -0.12 -0.03 -0.22 0.00 0.00 0.00 175.10 175.00 2hgx s LEU 146 N -0.49 0.86 0.13 3.92 2.96 -0.85 -1.13 118.68 124.08 2hgx s LEU 146 Ca -0.04 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 2hgx s LEU 146 Cb -0.04 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 2hgx s LEU 146 CO -0.00 -0.15 -0.20 0.27 -1.32 0.00 0.00 176.35 174.95 2hgx s ILE 147 N 1.76 1.79 0.36 6.68 -4.36 -0.04 -1.72 121.20 125.66 2hgx s ILE 147 Ca 0.03 -1.73 -0.25 0.00 -0.26 0.00 0.00 60.65 58.44 2hgx s ILE 147 Cb -0.13 -1.71 -0.10 0.00 1.25 0.00 0.00 42.46 41.77 2hgx s ILE 147 CO -0.05 -0.18 0.97 -0.83 0.24 0.00 0.00 174.94 175.09 2hgx s GLY 148 N -2.28 2.71 -0.15 6.27 0.00 0.99 -1.33 107.32 113.53 2hgx s GLY 148 Ca 0.11 0.54 0.23 0.00 0.00 0.00 0.00 44.72 45.60 2hgx s GLY 148 CO 0.05 0.95 1.15 -2.01 0.00 0.00 0.00 173.10 173.25 2hgx n ASN 149 N 0.22 1.09 -4.71 1.64 5.15 0.87 -2.42 115.26 117.10 2hgx n ASN 149 Ca 0.03 -2.02 -0.41 0.00 -0.60 0.00 0.00 54.58 51.58 2hgx n ASN 149 Cb 0.51 -0.32 -0.04 0.00 -0.53 0.00 0.00 39.78 39.40 2hgx n ASN 149 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2hgx s GLU 150 N -1.96 4.50 -1.43 1.20 2.12 -1.23 -4.69 118.70 117.21 2hgx s GLU 150 Ca 0.28 1.16 -0.09 0.00 0.36 0.00 0.00 54.97 56.68 2hgx s GLU 150 Cb 0.34 -3.45 -0.10 0.00 0.26 0.00 0.00 34.13 31.18 2hgx s GLU 150 CO -0.09 0.02 2.92 -0.35 -0.54 0.00 0.00 175.26 177.21 2hgx n PRO 151 N 3.79 3.40 -3.83 4.30 -0.04 -1.26 -2.33 135.00 139.04 2hgx n PRO 151 Ca 0.02 -2.03 -0.12 0.00 -0.04 0.00 0.00 63.50 61.33 2hgx n PRO 151 Cb 0.51 -2.70 -0.13 0.00 -0.04 0.00 0.00 33.50 31.14 2hgx n PRO 151 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hgx s SER 152 N 2.29 -0.10 0.00 3.54 0.15 -1.23 -4.95 113.70 113.41 2hgx s SER 152 Ca 0.66 0.21 0.17 0.00 0.70 0.00 0.00 55.95 57.69 2hgx s SER 152 Cb 0.18 0.20 0.62 0.00 -1.71 0.00 0.00 66.02 65.31 2hgx s SER 152 CO -0.05 -0.05 1.45 0.18 1.20 0.00 0.00 173.24 175.97 2hgx n LEU 153 N 3.16 1.48 -4.76 3.45 4.77 -1.26 -4.57 117.00 119.27 2hgx n LEU 153 Ca -0.14 -0.66 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 2hgx n LEU 153 Cb 0.58 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2hgx n LEU 153 CO 0.22 0.33 0.57 -0.83 -1.33 0.00 0.00 177.39 176.35 2hgx s GLY 154 N -1.37 3.00 -0.78 -0.72 0.00 -1.26 -4.98 107.32 101.21 2hgx s GLY 154 Ca 0.28 0.48 -0.25 0.00 0.00 0.00 0.00 44.72 45.23 2hgx s GLY 154 CO 0.21 1.08 1.22 0.14 0.00 0.00 0.00 173.10 175.75 2hgx s VAL 155 N -0.94 3.96 0.31 1.40 1.01 -1.26 -4.93 120.40 119.94 2hgx s VAL 155 Ca 0.39 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 2hgx s VAL 155 Cb -0.24 -4.88 0.02 0.00 0.00 0.00 0.00 36.38 31.28 2hgx s VAL 155 CO 0.29 -1.76 0.62 -0.94 0.00 0.00 0.00 175.10 173.31 2hgx s SER 156 N 3.92 0.07 0.06 3.32 1.04 -1.26 -5.13 113.70 115.73 2hgx s SER 156 Ca 0.34 -1.01 -0.31 0.00 0.48 0.00 0.00 55.95 55.45 2hgx s SER 156 Cb -0.09 0.70 -0.08 0.00 0.10 0.00 0.00 66.02 66.66 2hgx s SER 156 CO 0.08 -1.36 1.68 -1.58 0.98 0.00 0.00 173.24 173.04 2hgx s GLN 157 N -3.38 4.19 0.36 4.02 0.74 -1.26 -4.94 119.66 119.38 2hgx s GLN 157 Ca 0.19 2.35 -0.28 0.00 0.05 0.00 0.00 55.36 57.67 2hgx s GLN 157 Cb -0.03 -3.66 -0.10 0.00 1.10 0.00 0.00 33.01 30.32 2hgx s GLN 157 CO 0.11 -0.76 1.32 -1.25 -0.55 0.00 0.00 175.29 174.16 2hgx s PRO 158 N 2.85 4.21 0.00 1.67 0.04 -1.26 -4.92 135.00 137.59 2hgx s PRO 158 Ca 0.75 2.23 0.24 0.00 0.04 0.00 0.00 61.00 64.26 2hgx s PRO 158 Cb -0.40 -2.96 0.28 0.00 0.04 0.00 0.00 34.50 31.46 2hgx s PRO 158 CO 0.33 -0.31 1.30 0.54 0.04 0.00 0.00 177.00 178.90 2hgx n ARG 159 N 0.55 2.05 -3.86 4.56 1.74 -1.26 -4.90 116.66 115.54 2hgx n ARG 159 Ca 0.01 -1.64 -0.12 0.00 -0.77 0.00 0.00 57.85 55.33 2hgx n ARG 159 Cb 0.42 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 2hgx n ARG 159 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2hgx s ARG 160 N -2.08 0.08 0.16 5.56 0.52 -1.26 -1.75 118.95 120.17 2hgx s ARG 160 Ca 0.28 0.02 -0.08 0.00 -0.52 0.00 0.00 55.73 55.43 2hgx s ARG 160 Cb 0.20 0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.69 2hgx s ARG 160 CO 0.35 -0.01 0.26 0.00 0.02 0.00 0.00 175.30 175.92 2hgx s ALA 161 N -0.08 0.06 -0.03 2.13 0.00 -0.21 -0.09 121.76 123.54 2hgx s ALA 161 Ca -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2hgx s ALA 161 Cb -0.01 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.98 2hgx s ALA 161 CO 0.00 -0.63 0.03 -1.17 0.00 0.00 0.00 175.76 173.99 2hgx s LEU 162 N -2.97 0.82 -0.17 0.00 2.96 -0.44 -0.71 118.68 118.16 2hgx s LEU 162 Ca 0.17 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2hgx s LEU 162 Cb 0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 2hgx s LEU 162 CO -0.00 -0.16 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.53 2hgx s LEU 163 N 1.39 2.64 0.04 -0.68 0.20 0.37 -0.86 118.68 121.78 2hgx s LEU 163 Ca -0.05 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.36 2hgx s LEU 163 Cb -0.13 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 2hgx s LEU 163 CO -0.03 0.07 -0.05 0.72 -0.29 0.00 0.00 176.35 176.77 2hgx s PHE 164 N 0.92 0.52 -0.07 5.38 -0.71 -0.29 -0.23 117.98 123.50 2hgx s PHE 164 Ca -0.03 -0.62 0.01 0.00 -1.04 0.00 0.00 56.93 55.26 2hgx s PHE 164 Cb -0.15 -0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.35 2hgx s PHE 164 CO -0.01 -0.17 -0.09 0.08 -1.34 0.00 0.00 175.22 173.70 2hgx s VAL 165 N -1.94 0.93 0.14 -2.49 1.01 -0.80 -0.15 120.40 117.09 2hgx s VAL 165 Ca -0.08 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.68 2hgx s VAL 165 Cb -0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2hgx s VAL 165 CO -0.02 0.32 -0.25 0.27 0.00 0.00 0.00 175.10 175.42 2hgx s ILE 166 N 0.99 2.14 0.01 2.22 -4.36 -0.83 -1.75 121.20 119.62 2hgx s ILE 166 Ca -0.09 -1.78 0.08 0.00 -0.26 0.00 0.00 60.65 58.59 2hgx s ILE 166 Cb -0.15 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 2hgx s ILE 166 CO 0.00 -0.01 -0.24 -0.76 0.24 0.00 0.00 174.94 174.17 2hgx s LEU 167 N -2.20 2.21 -0.08 0.37 1.43 -1.26 -0.90 118.68 118.25 2hgx s LEU 167 Ca 0.14 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2hgx s LEU 167 Cb -0.09 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.80 2hgx s LEU 167 CO 0.06 0.29 -0.02 0.00 0.23 0.00 0.00 176.35 176.91 2hgx s PRO 169 N 1.86 4.35 0.23 0.00 0.04 -1.25 0.21 135.00 140.44 2hgx s PRO 169 Ca 0.04 1.65 0.09 0.00 0.04 0.00 0.00 61.00 62.83 2hgx s PRO 169 Cb -0.12 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 2hgx s PRO 169 CO -0.06 -0.45 -0.16 0.14 0.04 0.00 0.00 177.00 176.51 2hgx s VAL 170 N 2.25 1.95 0.00 -0.36 -7.23 0.04 -4.77 120.40 112.28 2hgx s VAL 170 Ca 0.55 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2hgx s VAL 170 Cb -0.24 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.58 2hgx s VAL 170 CO 0.21 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 2hgx n GLY 171 N -0.45 2.35 0.00 2.32 0.00 -1.26 -1.57 105.19 106.58 2hgx n GLY 171 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2hgx n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgx n ALA 172 N -3.00 0.00 -3.65 4.61 0.00 -1.26 -4.73 120.51 112.47 2hgx n ALA 172 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2hgx n ALA 172 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2hgx n ALA 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2hgx s VAL 179 N 0.00 1.82 0.02 0.00 -7.23 -1.26 -3.77 120.40 109.98 2hgx s VAL 179 Ca 0.00 -0.84 -0.25 0.00 -1.81 0.00 0.00 61.98 59.08 2hgx s VAL 179 Cb 0.00 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2hgx s VAL 179 CO 0.00 0.50 0.78 0.42 -0.31 0.00 0.00 175.10 176.49 2hgx s THR 180 N 0.88 4.80 0.63 5.32 -4.23 -1.26 -4.95 115.64 116.83 2hgx s THR 180 Ca -0.07 1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 61.97 2hgx s THR 180 Cb -0.15 -4.12 -0.03 0.00 1.34 0.00 0.00 72.50 69.53 2hgx s THR 180 CO -0.02 0.32 1.04 -2.16 -0.54 0.00 0.00 174.62 173.26 2hgx s PRO 181 N 0.22 3.50 0.18 3.99 0.04 -1.26 -4.53 135.00 137.14 2hgx s PRO 181 Ca 0.40 0.74 0.11 0.00 0.04 0.00 0.00 61.00 62.29 2hgx s PRO 181 Cb -0.20 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2hgx s PRO 181 CO 0.23 -0.64 -0.23 0.14 0.04 0.00 0.00 177.00 176.53 2hgx s VAL 182 N -3.19 2.42 -0.09 -0.36 -7.23 -0.13 -4.86 120.40 106.97 2hgx s VAL 182 Ca 0.55 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 2hgx s VAL 182 Cb -0.11 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2hgx s VAL 182 CO 0.54 -0.06 0.10 -0.94 -0.31 0.00 0.00 175.10 174.42 2hgx s SER 183 N -2.53 5.99 0.04 4.85 1.04 -1.26 -1.83 113.70 120.00 2hgx s SER 183 Ca 0.20 0.34 0.09 0.00 0.48 0.00 0.00 55.95 57.05 2hgx s SER 183 Cb -0.09 -1.85 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 2hgx s SER 183 CO 0.09 0.38 -0.25 -0.76 0.98 0.00 0.00 173.24 173.69 2hgx s LEU 184 N -1.13 2.16 -0.26 2.42 1.43 0.38 -1.35 118.68 122.33 2hgx s LEU 184 Ca 0.16 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2hgx s LEU 184 Cb -0.12 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 2hgx s LEU 184 CO 0.06 0.23 0.18 -0.22 0.23 0.00 0.00 176.35 176.83 2hgx s LEU 185 N -1.19 4.06 -0.66 1.79 2.96 -0.45 0.04 118.68 125.23 2hgx s LEU 185 Ca 0.10 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2hgx s LEU 185 Cb -0.10 -2.12 0.17 0.00 0.50 0.00 0.00 46.19 44.64 2hgx s LEU 185 CO 0.02 -0.01 0.47 0.00 -1.32 0.00 0.00 176.35 175.51 2hgx s ALA 186 N 1.50 3.68 -0.23 5.97 0.00 0.18 -0.70 121.76 132.15 2hgx s ALA 186 Ca 0.07 -3.48 -0.02 0.00 0.00 0.00 0.00 51.96 48.54 2hgx s ALA 186 Cb -0.15 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.50 2hgx s ALA 186 CO 0.09 -2.10 -0.08 0.34 0.00 0.00 0.00 175.76 174.01 2hgx s ASP 187 N -0.08 4.09 0.00 0.00 3.68 -1.26 -4.14 116.67 118.96 2hgx s ASP 187 Ca 0.20 -0.74 0.05 0.00 2.13 0.00 0.00 52.55 54.20 2hgx s ASP 187 Cb -0.17 -1.64 0.24 0.00 -1.45 0.00 0.00 42.92 39.90 2hgx s ASP 187 CO -0.06 -0.08 1.11 -0.81 0.13 0.00 0.00 175.17 175.46 2hgx n PRO 188 N 4.68 0.03 0.27 4.34 -0.04 -1.26 -2.79 135.00 140.23 2hgx n PRO 188 Ca -0.18 0.35 0.17 0.00 -0.04 0.00 0.00 63.50 63.80 2hgx n PRO 188 Cb 0.48 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.05 2hgx n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgx h ALA 189 N 2.21 1.00 -2.96 0.55 0.00 -1.94 -3.42 119.26 114.69 2hgx h ALA 189 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2hgx h ALA 189 Cb 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.63 2hgx h ALA 189 CO 0.00 0.00 -0.65 -0.06 0.00 0.00 0.00 179.25 178.54 2hgx s PHE 190 N -3.60 3.05 -0.17 0.00 0.40 -1.12 -5.09 117.98 111.46 2hgx s PHE 190 Ca 0.02 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2hgx s PHE 190 Cb 0.08 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 2hgx s PHE 190 CO 0.56 -0.42 -0.10 0.42 0.70 0.00 0.00 175.22 176.38 2hgx s ILE 191 N 1.58 3.09 -0.06 0.64 -1.09 -1.26 -4.44 121.20 119.65 2hgx s ILE 191 Ca 0.06 -0.62 -0.19 0.00 -2.23 0.00 0.00 60.65 57.68 2hgx s ILE 191 Cb -0.15 -2.35 -0.30 0.00 -1.58 0.00 0.00 42.46 38.08 2hgx s ILE 191 CO 0.02 0.48 0.79 -0.09 -1.23 0.00 0.00 174.94 174.91 2hgx h ARG 192 N 7.43 0.31 -3.67 2.79 2.43 -1.97 -3.49 114.38 118.21 2hgx h ARG 192 Ca -0.35 -0.53 -0.07 0.00 -0.81 0.00 0.00 59.98 58.22 2hgx h ARG 192 Cb 1.18 0.20 -0.12 0.00 -0.42 0.00 0.00 29.97 30.81 2hgx h ARG 192 CO 0.59 1.25 -0.19 0.00 -1.51 0.00 0.00 179.97 180.11 2hgx s ALA 193 N -2.47 -0.34 0.03 2.80 0.00 -1.26 -4.88 121.76 115.64 2hgx s ALA 193 Ca -0.15 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 2hgx s ALA 193 Cb 0.02 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 2hgx s ALA 193 CO 0.82 -0.70 -0.03 1.67 0.00 0.00 0.00 175.76 177.52 2hgx s TRP 194 N -3.93 0.32 0.07 0.00 -2.14 -1.26 -4.97 118.94 107.04 2hgx s TRP 194 Ca 0.14 -0.66 -0.31 0.00 2.66 0.00 0.00 56.10 57.93 2hgx s TRP 194 Cb 0.02 -0.24 -0.08 0.00 -3.10 0.00 0.00 33.47 30.06 2hgx s TRP 194 CO -0.01 -0.24 1.67 0.08 -2.66 0.00 0.00 176.95 175.79 2hgx s VAL 195 N -2.08 3.00 0.00 -0.66 1.01 -1.26 -0.73 120.40 119.68 2hgx s VAL 195 Ca -0.10 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2hgx s VAL 195 Cb -0.05 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2hgx s VAL 195 CO -0.03 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2hgx n GLY 196 N 4.03 0.21 0.00 4.51 0.00 -1.26 -5.06 105.19 107.62 2hgx n GLY 196 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2hgx n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgx n GLY 197 N -1.77 1.39 0.41 -0.02 0.00 0.09 -5.06 105.19 100.24 2hgx n GLY 197 Ca 0.00 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.41 2hgx n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgx n VAL 198 N 0.00 1.22 0.39 1.61 0.24 -1.26 -4.81 118.33 115.72 2hgx n VAL 198 Ca 0.00 -1.66 0.12 0.00 -2.04 0.00 0.00 64.34 60.77 2hgx n VAL 198 Cb 0.00 0.09 0.51 0.00 -1.47 0.00 0.00 33.84 32.97 2hgx n VAL 198 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2hgx h GLY 199 N 0.25 0.00 -1.17 7.63 0.00 -1.84 -2.63 103.07 105.31 2hgx h GLY 199 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2hgx h GLY 199 CO 0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.71 2hgx n ASN 200 N -2.33 1.81 -4.25 0.19 2.04 -1.18 -3.83 115.26 107.72 2hgx n ASN 200 Ca 0.02 -1.93 -0.26 0.00 -0.44 0.00 0.00 54.58 51.97 2hgx n ASN 200 Cb 0.24 -0.20 -0.14 0.00 -2.53 0.00 0.00 39.78 37.15 2hgx n ASN 200 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 2hgx s TYR 201 N -1.59 1.84 -1.34 -2.53 2.02 -0.99 -4.46 117.35 110.30 2hgx s TYR 201 Ca 0.25 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.47 2hgx s TYR 201 Cb 0.13 -1.12 0.12 0.00 -0.40 0.00 0.00 41.96 40.69 2hgx s TYR 201 CO 0.18 0.06 1.95 1.17 -1.57 0.00 0.00 175.55 177.34 2hgx n LYS 202 N 2.03 3.31 -4.03 -0.62 4.81 -1.26 -4.95 118.16 117.45 2hgx n LYS 202 Ca -0.17 -3.22 -0.35 0.00 -0.87 0.00 0.00 58.31 53.71 2hgx n LYS 202 Cb 0.53 -3.10 -0.07 0.00 0.02 0.00 0.00 35.03 32.41 2hgx n LYS 202 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hgx s LEU 203 N 1.13 4.11 0.37 3.14 1.43 -1.26 -1.91 118.68 125.69 2hgx s LEU 203 Ca 0.43 0.30 0.11 0.00 -1.03 0.00 0.00 54.13 53.95 2hgx s LEU 203 Cb 0.10 -2.20 0.90 0.00 0.03 0.00 0.00 46.19 45.01 2hgx s LEU 203 CO -0.02 0.33 1.87 1.23 0.23 0.00 0.00 176.35 179.99 2hgx h GLY 204 N 4.51 1.11 1.52 -3.19 0.00 -1.82 -2.15 103.07 103.07 2hgx h GLY 204 Ca -0.51 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 46.59 2hgx h GLY 204 CO 0.61 0.06 0.20 -1.33 0.00 0.00 0.00 176.54 176.07 2hgx h GLY 205 N 0.60 0.00 1.89 4.60 0.00 -1.85 -1.49 103.07 106.82 2hgx h GLY 205 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2hgx h GLY 205 CO -0.20 0.00 -0.06 0.70 0.00 0.00 0.00 176.54 176.98 2hgx n ASN 206 N -3.58 0.31 -0.12 0.19 5.03 -0.81 -4.31 115.26 111.97 2hgx n ASN 206 Ca 0.01 0.45 -0.17 0.00 0.87 0.00 0.00 54.58 55.74 2hgx n ASN 206 Cb 0.31 -0.51 -0.11 0.00 -1.02 0.00 0.00 39.78 38.45 2hgx n ASN 206 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2hgx n TYR 207 N -1.75 0.00 -0.17 3.10 4.02 -0.56 -4.55 117.16 117.25 2hgx n TYR 207 Ca 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.94 2hgx n TYR 207 Cb 0.37 -0.93 0.06 0.00 -0.02 0.00 0.00 39.34 38.82 2hgx n TYR 207 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2hgx h GLY 208 N 1.77 0.52 2.00 2.72 0.00 -1.74 -1.81 103.07 106.52 2hgx h GLY 208 Ca -0.54 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2hgx h GLY 208 CO -0.09 -0.16 0.00 -2.55 0.00 0.00 0.00 176.54 173.74 2hgx h PRO 209 N 0.10 0.00 0.00 4.80 0.11 -1.82 -2.78 132.00 132.40 2hgx h PRO 209 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2hgx h PRO 209 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 2hgx h PRO 209 CO -0.45 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.13 2hgx h THR 210 N 0.00 0.00 -0.47 -1.15 1.35 -1.56 -3.35 112.91 107.73 2hgx h THR 210 Ca 0.00 -0.77 0.04 0.00 -0.55 0.00 0.00 66.41 65.13 2hgx h THR 210 Cb 0.13 1.75 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 2hgx h THR 210 CO 0.00 0.00 0.24 0.58 -0.25 0.00 0.00 175.52 176.09 2hgx h VAL 211 N 0.00 0.98 -0.25 6.82 2.07 -1.57 -0.66 116.25 123.64 2hgx h VAL 211 Ca 0.00 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 2hgx h VAL 211 Cb 0.85 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2hgx h VAL 211 CO 0.00 0.09 -0.34 0.25 0.02 0.00 0.00 177.57 177.59 2hgx h LEU 212 N 0.48 0.55 -0.68 2.57 5.85 -1.80 -2.24 115.31 120.05 2hgx h LEU 212 Ca 0.20 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 2hgx h LEU 212 Cb 0.09 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2hgx h LEU 212 CO -0.13 0.85 -0.20 0.58 -0.34 0.00 0.00 178.44 179.20 2hgx h VAL 213 N 0.45 1.27 -0.34 1.05 2.07 -1.64 -1.34 116.25 117.76 2hgx h VAL 213 Ca 0.05 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.16 2hgx h VAL 213 Cb 0.80 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2hgx h VAL 213 CO 0.07 0.44 -0.19 -0.61 0.02 0.00 0.00 177.57 177.30 2hgx h GLN 214 N 0.71 0.64 -0.14 1.57 5.75 -0.92 -1.39 115.11 121.33 2hgx h GLN 214 Ca 0.10 -0.23 -0.10 0.00 -0.15 0.00 0.00 58.65 58.27 2hgx h GLN 214 Cb 0.71 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 2hgx h GLN 214 CO 0.05 0.79 -0.38 1.96 -2.65 0.00 0.00 178.83 178.61 2hgx h GLN 215 N 0.57 0.29 -0.12 1.69 4.20 -1.08 -1.77 115.11 118.89 2hgx h GLN 215 Ca 0.09 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2hgx h GLN 215 Cb 0.64 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2hgx h GLN 215 CO 0.05 0.63 -0.47 1.49 -0.67 0.00 0.00 178.83 179.86 2hgx h GLU 216 N 0.25 0.31 -0.32 1.46 4.57 -0.75 -0.58 114.58 119.51 2hgx h GLU 216 Ca 0.03 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 57.97 2hgx h GLU 216 Cb 0.78 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2hgx h GLU 216 CO 0.06 0.71 -0.08 0.00 -1.18 0.00 0.00 179.01 178.52 2hgx h ALA 217 N 1.26 0.45 -0.61 2.92 0.00 -0.81 -1.92 119.26 120.55 2hgx h ALA 217 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2hgx h ALA 217 Cb 0.92 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2hgx h ALA 217 CO 0.08 0.28 0.11 -0.07 0.00 0.00 0.00 179.25 179.65 2hgx h LEU 218 N 0.40 0.94 -1.22 0.00 3.38 -1.12 0.18 115.31 117.88 2hgx h LEU 218 Ca 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2hgx h LEU 218 Cb 0.58 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2hgx h LEU 218 CO 0.03 0.93 0.05 0.50 0.09 0.00 0.00 178.44 180.05 2hgx h LYS 219 N 0.93 0.59 -0.62 1.13 1.63 -0.92 -2.20 116.57 117.12 2hgx h LYS 219 Ca 0.19 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2hgx h LYS 219 Cb 0.39 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2hgx h LYS 219 CO 0.01 0.58 0.00 0.54 -3.45 0.00 0.00 179.45 177.13 2hgx n ARG 220 N -4.30 2.91 -1.00 1.90 1.74 -0.74 -4.92 116.66 112.26 2hgx n ARG 220 Ca 0.02 -1.93 -0.00 0.00 -0.77 0.00 0.00 57.85 55.17 2hgx n ARG 220 Cb 0.22 -1.72 -0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2hgx n ARG 220 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgx n GLY 221 N 0.81 0.45 3.79 -0.13 0.00 -0.83 -5.05 105.19 104.24 2hgx n GLY 221 Ca 0.17 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 2hgx n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgx n GLU 223 N -0.98 0.66 -4.19 0.00 1.02 -0.45 -3.10 120.64 113.59 2hgx n GLU 223 Ca -0.08 0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 2hgx n GLU 223 Cb 0.57 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 2hgx n GLU 223 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2hgx s GLN 224 N -2.55 1.45 -0.17 3.49 -0.21 -0.70 -4.89 119.66 116.07 2hgx s GLN 224 Ca -0.08 -1.70 -0.06 0.00 0.02 0.00 0.00 55.36 53.54 2hgx s GLN 224 Cb 0.07 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 2hgx s GLN 224 CO 0.82 -0.52 0.01 0.08 -2.12 0.00 0.00 175.29 173.56 2hgx s VAL 225 N -3.86 4.34 -0.38 1.09 1.01 -1.26 -1.34 120.40 120.01 2hgx s VAL 225 Ca 0.37 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 2hgx s VAL 225 Cb 0.04 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2hgx s VAL 225 CO 0.16 0.47 0.41 -0.22 0.00 0.00 0.00 175.10 175.93 2hgx s LEU 226 N 0.39 4.60 -0.33 3.92 2.96 0.12 -0.42 118.68 129.91 2hgx s LEU 226 Ca -0.00 -0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 53.24 2hgx s LEU 226 Cb -0.13 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.18 2hgx s LEU 226 CO 0.02 -0.46 1.03 0.26 -1.32 0.00 0.00 176.35 175.88 2hgx s TRP 227 N 2.12 3.12 0.04 5.38 0.52 0.05 -4.40 118.94 125.77 2hgx s TRP 227 Ca 0.13 1.07 -0.04 0.00 0.02 0.00 0.00 56.10 57.28 2hgx s TRP 227 Cb -0.17 -3.69 -0.05 0.00 -1.15 0.00 0.00 33.47 28.42 2hgx s TRP 227 CO 0.13 -0.79 0.25 -0.51 0.02 0.00 0.00 176.95 176.05 2hgx s LEU 228 N 3.61 4.35 0.01 2.99 1.43 -1.26 -0.98 118.68 128.84 2hgx s LEU 228 Ca 0.43 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2hgx s LEU 228 Cb -0.12 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2hgx s LEU 228 CO 0.17 0.21 -0.02 -0.47 0.23 0.00 0.00 176.35 176.46 2hgx s TYR 229 N -1.41 0.19 0.07 0.29 5.04 -0.38 -4.71 117.35 116.44 2hgx s TYR 229 Ca 0.31 -0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 2hgx s TYR 229 Cb -0.13 -0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.05 2hgx s TYR 229 CO 0.21 -0.09 0.00 0.41 -1.34 0.00 0.00 175.55 174.73 2hgx n GLY 230 N 2.30 -1.84 0.27 8.97 0.00 -1.26 -0.35 105.19 113.29 2hgx n GLY 230 Ca -0.18 -1.45 0.17 0.00 0.00 0.00 0.00 46.02 44.55 2hgx n GLY 230 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgx h PRO 231 N -0.21 0.00 -0.54 1.61 0.13 -2.01 -2.87 132.00 128.11 2hgx h PRO 231 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2hgx h PRO 231 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2hgx h PRO 231 CO 0.01 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.38 2hgx n ASP 232 N -3.08 2.99 -3.66 1.44 5.75 -1.26 -4.99 116.55 113.74 2hgx n ASP 232 Ca 0.01 -1.99 -0.26 0.00 -0.01 0.00 0.00 54.79 52.54 2hgx n ASP 232 Cb 0.32 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 40.08 2hgx n ASP 232 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2hgx n HIS 233 N 1.14 -2.06 -2.39 2.11 8.25 -1.08 -4.06 115.22 117.13 2hgx n HIS 233 Ca 0.19 0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 57.86 2hgx n HIS 233 Cb 0.48 -3.29 -0.03 0.00 1.12 0.00 0.00 29.99 28.27 2hgx n HIS 233 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2hgx s GLN 234 N -5.38 4.48 -0.24 -0.41 -0.21 0.53 -1.82 119.66 116.62 2hgx s GLN 234 Ca 0.27 1.85 -0.29 0.00 0.02 0.00 0.00 55.36 57.21 2hgx s GLN 234 Cb -0.11 -3.26 0.01 0.00 1.00 0.00 0.00 33.01 30.65 2hgx s GLN 234 CO 0.87 -0.12 1.02 -0.51 -2.12 0.00 0.00 175.29 174.43 2hgx s LEU 235 N 0.06 4.09 -0.07 2.90 1.02 0.20 -1.25 118.68 125.64 2hgx s LEU 235 Ca 0.54 1.33 -0.10 0.00 0.02 0.00 0.00 54.13 55.92 2hgx s LEU 235 Cb -0.32 -3.51 -0.03 0.00 0.02 0.00 0.00 46.19 42.35 2hgx s LEU 235 CO 0.35 -0.67 -0.20 0.35 0.02 0.00 0.00 176.35 176.20 2hgx n THR 236 N 5.34 1.23 -4.16 5.49 -2.24 -0.15 -4.58 114.28 115.22 2hgx n THR 236 Ca 0.11 0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 62.04 2hgx n THR 236 Cb 0.46 -1.99 -0.10 0.00 -2.10 0.00 0.00 70.33 66.61 2hgx n THR 236 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2hgx s GLU 237 N -2.39 0.83 -0.32 -0.78 0.41 -1.24 -4.14 118.70 111.07 2hgx s GLU 237 Ca -0.16 -1.35 0.04 0.00 -0.41 0.00 0.00 54.97 53.08 2hgx s GLU 237 Cb 0.02 -0.05 0.09 0.00 -1.78 0.00 0.00 34.13 32.42 2hgx s GLU 237 CO 0.24 -0.09 0.02 0.08 -0.49 0.00 0.00 175.26 175.02 2hgx s VAL 238 N -3.76 2.23 0.00 2.63 1.01 0.26 -0.77 120.40 122.00 2hgx s VAL 238 Ca 0.14 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.94 2hgx s VAL 238 Cb 0.06 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2hgx s VAL 238 CO -0.04 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.19 2hgx n GLY 239 N 4.30 2.27 1.11 4.51 0.00 0.44 -0.35 105.19 117.47 2hgx n GLY 239 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 2hgx n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hgx n THR 240 N 0.00 2.46 -4.32 2.61 -2.24 -1.26 -4.99 114.28 106.54 2hgx n THR 240 Ca 0.00 -3.16 -0.22 0.00 -2.27 0.00 0.00 64.05 58.39 2hgx n THR 240 Cb 0.00 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 67.68 2hgx n THR 240 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hgx s MET 241 N -3.32 1.23 0.44 -0.78 -1.94 0.53 -4.84 119.30 110.61 2hgx s MET 241 Ca 0.44 -1.34 -0.14 0.00 -1.71 0.00 0.00 55.69 52.93 2hgx s MET 241 Cb 0.40 -1.32 -0.08 0.00 2.01 0.00 0.00 34.83 35.84 2hgx s MET 241 CO -0.02 0.28 0.86 -0.80 -0.01 0.00 0.00 175.02 175.32 2hgx s ASN 242 N -2.49 6.62 -0.08 3.03 0.01 0.08 -0.57 114.94 121.54 2hgx s ASN 242 Ca 0.13 1.35 -0.01 0.00 -0.71 0.00 0.00 52.86 53.62 2hgx s ASN 242 Cb -0.07 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 2hgx s ASN 242 CO 0.06 -0.44 -0.01 -0.51 -1.51 0.00 0.00 177.10 174.69 2hgx s ILE 243 N -2.40 4.17 0.00 0.60 2.07 -1.26 -0.48 121.20 123.91 2hgx s ILE 243 Ca 0.55 -0.30 0.04 0.00 -1.41 0.00 0.00 60.65 59.54 2hgx s ILE 243 Cb -0.10 -2.75 -0.01 0.00 0.13 0.00 0.00 42.46 39.73 2hgx s ILE 243 CO 0.28 0.60 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.42 2hgx s PHE 244 N -0.83 1.21 -0.07 3.50 0.40 -0.02 -4.23 117.98 117.94 2hgx s PHE 244 Ca 0.13 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 2hgx s PHE 244 Cb -0.11 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.67 2hgx s PHE 244 CO 0.02 -0.01 -0.15 0.08 0.70 0.00 0.00 175.22 175.87 2hgx s VAL 245 N -0.44 1.32 -0.30 -0.44 1.01 -0.49 -1.62 120.40 119.43 2hgx s VAL 245 Ca 0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2hgx s VAL 245 Cb -0.06 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.17 2hgx s VAL 245 CO -0.00 0.40 0.03 -0.47 0.00 0.00 0.00 175.10 175.06 2hgx s TYR 246 N 0.61 3.21 0.35 5.22 5.04 0.10 -1.27 117.35 130.60 2hgx s TYR 246 Ca -0.15 -1.54 -0.09 0.00 -2.44 0.00 0.00 57.07 52.84 2hgx s TYR 246 Cb -0.16 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.00 2hgx s TYR 246 CO 0.05 -0.73 0.60 1.67 -1.34 0.00 0.00 175.55 175.79 2hgx s TRP 247 N 1.35 0.60 -0.37 4.97 -2.14 -0.54 -1.12 118.94 121.70 2hgx s TRP 247 Ca -0.02 -1.02 -0.14 0.00 2.66 0.00 0.00 56.10 57.58 2hgx s TRP 247 Cb -0.19 0.31 -0.00 0.00 -3.10 0.00 0.00 33.47 30.49 2hgx s TRP 247 CO 0.00 -1.28 0.27 0.99 -2.66 0.00 0.00 176.95 174.27 2hgx s THR 248 N -2.92 5.27 1.04 0.66 2.01 -0.56 -0.29 115.64 120.86 2hgx s THR 248 Ca 0.23 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 2hgx s THR 248 Cb -0.02 -3.80 0.21 0.00 0.01 0.00 0.00 72.50 68.90 2hgx s THR 248 CO 0.15 -0.13 1.10 -2.28 -0.69 0.00 0.00 174.62 172.77 2hgx s HIS 249 N 1.72 1.81 0.65 4.92 2.46 -0.19 -4.82 115.29 121.85 2hgx s HIS 249 Ca 0.06 0.88 0.36 0.00 0.47 0.00 0.00 55.06 56.83 2hgx s HIS 249 Cb -0.18 -3.30 1.96 0.00 -0.13 0.00 0.00 32.58 30.92 2hgx s HIS 249 CO 0.10 -3.11 2.13 0.93 -2.47 0.00 0.00 174.74 172.32 2hgx h GLU 250 N -2.05 0.00 -0.26 2.88 5.08 -1.98 -0.21 114.58 118.05 2hgx h GLU 250 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2hgx h GLU 250 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2hgx h GLU 250 CO 0.54 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.15 2hgx n ASP 251 N -3.13 2.13 0.00 1.42 3.85 -1.26 -4.94 116.55 114.62 2hgx n ASP 251 Ca -0.02 -1.82 0.00 0.00 -0.71 0.00 0.00 54.79 52.24 2hgx n ASP 251 Cb 0.25 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 2hgx n ASP 251 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hgx n GLY 252 N 1.21 0.65 3.81 6.12 0.00 -0.09 -5.05 105.19 111.84 2hgx n GLY 252 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2hgx n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgx s VAL 253 N -2.43 5.43 -0.04 1.61 1.01 -1.26 -4.83 120.40 119.89 2hgx s VAL 253 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2hgx s VAL 253 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2hgx s VAL 253 CO 0.00 0.53 1.31 -0.22 0.00 0.00 0.00 175.10 176.73 2hgx s LEU 254 N -0.41 4.29 0.07 3.92 2.96 -1.26 -1.03 118.68 127.22 2hgx s LEU 254 Ca 0.13 1.95 -0.11 0.00 -0.22 0.00 0.00 54.13 55.88 2hgx s LEU 254 Cb -0.12 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2hgx s LEU 254 CO 0.02 -0.67 0.25 -1.83 -1.32 0.00 0.00 176.35 172.80 2hgx s GLU 255 N 2.47 0.84 -0.21 1.98 -1.05 0.60 -2.01 118.70 121.32 2hgx s GLU 255 Ca 0.60 -0.75 -0.03 0.00 -0.15 0.00 0.00 54.97 54.65 2hgx s GLU 255 Cb -0.28 0.35 -0.00 0.00 -0.44 0.00 0.00 34.13 33.76 2hgx s GLU 255 CO 0.24 -0.28 -0.07 -1.17 0.95 0.00 0.00 175.26 174.93 2hgx s LEU 256 N -2.51 2.75 0.08 1.83 2.96 0.01 -1.46 118.68 122.34 2hgx s LEU 256 Ca 0.00 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 2hgx s LEU 256 Cb 0.02 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2hgx s LEU 256 CO -0.08 -0.01 -0.23 0.54 -1.32 0.00 0.00 176.35 175.25 2hgx s VAL 257 N 1.40 1.85 -0.02 1.68 0.11 -0.40 -1.53 120.40 123.50 2hgx s VAL 257 Ca 0.05 -1.45 -0.08 0.00 -2.93 0.00 0.00 61.98 57.58 2hgx s VAL 257 Cb -0.14 -1.64 0.01 0.00 -1.53 0.00 0.00 36.38 33.08 2hgx s VAL 257 CO -0.05 0.11 0.16 0.28 -3.33 0.00 0.00 175.10 172.28 2hgx s THR 258 N -0.97 0.06 0.50 5.04 -1.32 -1.05 -1.40 115.64 116.50 2hgx s THR 258 Ca 0.09 -0.47 -0.23 0.00 -1.21 0.00 0.00 61.69 59.87 2hgx s THR 258 Cb -0.10 -0.39 -0.06 0.00 -1.51 0.00 0.00 72.50 70.44 2hgx s THR 258 CO 0.03 -0.26 1.41 -2.65 -2.21 0.00 0.00 174.62 170.95 2hgx n PRO 259 N 1.90 1.97 -1.67 7.08 -0.02 -1.24 -1.15 135.00 141.87 2hgx n PRO 259 Ca -0.20 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 2hgx n PRO 259 Cb 0.57 -2.62 0.06 0.00 -0.02 0.00 0.00 33.50 31.48 2hgx n PRO 259 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2hgx s PRO 260 N -2.70 2.68 -1.36 0.52 0.04 -1.26 -4.71 135.00 128.21 2hgx s PRO 260 Ca 0.67 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 2hgx s PRO 260 Cb -0.43 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.23 2hgx s PRO 260 CO 0.53 -1.21 1.99 1.28 0.04 0.00 0.00 177.00 179.63 2hgx n LEU 261 N -3.17 6.51 -1.21 -3.56 4.77 -1.26 -4.65 117.00 114.44 2hgx n LEU 261 Ca 0.07 -4.35 0.11 0.00 -0.03 0.00 0.00 56.01 51.81 2hgx n LEU 261 Cb 0.55 -1.59 0.27 0.00 -2.33 0.00 0.00 43.42 40.32 2hgx n LEU 261 CO 0.57 1.11 0.73 -0.46 -1.33 0.00 0.00 177.39 178.01 2hgx n ASN 262 N 5.36 3.68 0.00 -1.43 6.94 -1.26 -4.96 115.26 123.58 2hgx n ASN 262 Ca 0.46 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 2hgx n ASN 262 Cb 0.39 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2hgx n ASN 262 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hgx n GLY 263 N 1.47 0.95 0.53 4.83 0.00 -1.26 -4.86 105.19 106.85 2hgx n GLY 263 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 2hgx n GLY 263 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgx n VAL 264 N 0.00 0.00 -4.47 1.61 0.24 -1.26 -3.09 118.33 111.36 2hgx n VAL 264 Ca 0.00 -0.28 -0.34 0.00 -2.04 0.00 0.00 64.34 61.69 2hgx n VAL 264 Cb 0.00 1.21 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 2hgx n VAL 264 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2hgx s ILE 265 N -2.42 3.82 -0.15 1.34 -1.09 -1.26 -4.73 121.20 116.70 2hgx s ILE 265 Ca 0.20 -0.39 -0.28 0.00 -2.23 0.00 0.00 60.65 57.95 2hgx s ILE 265 Cb 0.18 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 2hgx s ILE 265 CO 0.53 0.52 0.96 -0.22 -1.23 0.00 0.00 174.94 175.50 2hgx s LEU 266 N 0.12 4.19 -1.03 2.97 1.98 -1.25 -4.32 118.68 121.34 2hgx s LEU 266 Ca -0.01 1.39 -0.24 0.00 -2.89 0.00 0.00 54.13 52.38 2hgx s LEU 266 Cb -0.14 -3.45 -0.05 0.00 0.66 0.00 0.00 46.19 43.21 2hgx s LEU 266 CO 0.03 -0.48 1.91 -2.16 -1.89 0.00 0.00 176.35 173.76 2hgx s PRO 267 N 2.32 2.63 0.49 0.98 0.04 -1.26 -4.93 135.00 135.27 2hgx s PRO 267 Ca 0.44 -0.72 -0.23 0.00 0.04 0.00 0.00 61.00 60.54 2hgx s PRO 267 Cb -0.17 -5.16 -0.06 0.00 0.04 0.00 0.00 34.50 29.14 2hgx s PRO 267 CO 0.14 -3.51 1.25 0.20 0.04 0.00 0.00 177.00 175.12 2hgx s GLY 268 N 7.18 2.83 0.11 0.56 0.00 -1.26 -4.96 107.32 111.78 2hgx s GLY 268 Ca 0.68 1.12 -0.10 0.00 0.00 0.00 0.00 44.72 46.41 2hgx s GLY 268 CO 0.04 1.61 1.28 -2.08 0.00 0.00 0.00 173.10 173.95 2hgx h VAL 269 N 1.73 1.31 -0.34 1.40 2.07 -1.96 -1.97 116.25 118.49 2hgx h VAL 269 Ca -0.50 -2.19 -0.16 0.00 0.82 0.00 0.00 66.70 64.67 2hgx h VAL 269 Cb 1.27 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 2hgx h VAL 269 CO 0.59 0.68 -0.41 0.58 0.02 0.00 0.00 177.57 179.03 2hgx h VAL 270 N 0.39 1.28 -0.24 2.57 2.07 -1.92 -1.46 116.25 118.93 2hgx h VAL 270 Ca -0.08 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 65.89 2hgx h VAL 270 Cb 1.54 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 2hgx h VAL 270 CO 0.17 0.52 0.00 -0.09 0.02 0.00 0.00 177.57 178.20 2hgx h ARG 271 N 0.69 0.07 -0.50 1.57 2.43 -1.86 0.48 114.38 117.27 2hgx h ARG 271 Ca 0.05 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2hgx h ARG 271 Cb 0.98 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2hgx h ARG 271 CO 0.09 0.05 0.05 0.37 -1.51 0.00 0.00 179.97 179.02 2hgx h GLN 272 N 0.08 0.80 -0.37 0.20 5.75 -1.24 -2.28 115.11 118.05 2hgx h GLN 272 Ca 0.12 -0.20 -0.11 0.00 -0.15 0.00 0.00 58.65 58.31 2hgx h GLN 272 Cb 0.15 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2hgx h GLN 272 CO -0.20 0.78 -0.21 0.77 -2.65 0.00 0.00 178.83 177.32 2hgx h SER 273 N 0.76 0.72 0.11 -0.69 0.02 -0.33 -0.91 113.55 113.23 2hgx h SER 273 Ca 0.16 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 2hgx h SER 273 Cb 0.39 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2hgx h SER 273 CO 0.01 0.92 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.96 2hgx h LEU 274 N 0.63 0.55 -0.37 5.07 3.38 -0.67 -0.78 115.31 123.12 2hgx h LEU 274 Ca 0.09 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2hgx h LEU 274 Cb 0.70 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2hgx h LEU 274 CO 0.05 1.02 -0.15 -0.07 0.09 0.00 0.00 178.44 179.38 2hgx h LEU 275 N 0.37 0.78 -0.42 1.67 3.38 -1.25 -1.18 115.31 118.66 2hgx h LEU 275 Ca -0.00 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 2hgx h LEU 275 Cb 1.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2hgx h LEU 275 CO 0.11 1.00 0.01 0.44 0.09 0.00 0.00 178.44 180.09 2hgx h ASP 276 N 0.56 0.72 -0.14 -0.43 3.45 -1.07 -1.68 116.42 117.83 2hgx h ASP 276 Ca 0.09 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.23 2hgx h ASP 276 Cb 0.69 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.26 2hgx h ASP 276 CO 0.05 0.84 0.02 -0.03 -1.57 0.00 0.00 179.24 178.54 2hgx h MET 277 N 0.58 0.24 0.00 3.56 4.05 -1.11 -2.07 114.93 120.17 2hgx h MET 277 Ca 0.12 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2hgx h MET 277 Cb 0.46 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2hgx h MET 277 CO 0.02 0.44 -0.35 0.00 0.23 0.00 0.00 176.91 177.25 2hgx h ALA 278 N 0.79 1.38 -0.20 0.39 0.00 -1.21 -2.69 119.26 117.73 2hgx h ALA 278 Ca 0.04 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 2hgx h ALA 278 Cb 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2hgx h ALA 278 CO 0.00 0.44 -0.70 0.37 0.00 0.00 0.00 179.25 179.36 2hgx h GLN 279 N 0.00 0.83 -0.69 0.00 5.75 -1.20 -3.11 115.11 116.69 2hgx h GLN 279 Ca -0.00 -0.62 -0.04 0.00 -0.15 0.00 0.00 58.65 57.84 2hgx h GLN 279 Cb 0.63 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 2hgx h GLN 279 CO 0.05 1.24 0.28 1.15 -2.65 0.00 0.00 178.83 178.89 2hgx h THR 280 N 0.58 1.23 -0.66 2.39 2.02 -1.12 -2.74 112.91 114.62 2hgx h THR 280 Ca -0.03 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 2hgx h THR 280 Cb 1.32 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2hgx h THR 280 CO 0.15 0.30 0.23 -0.50 0.37 0.00 0.00 175.52 176.06 2hgx h TRP 281 N 0.99 1.04 -3.33 3.16 6.55 -1.49 -3.47 115.95 119.39 2hgx h TRP 281 Ca 0.23 -0.10 -0.36 0.00 0.95 0.00 0.00 58.89 59.62 2hgx h TRP 281 Cb 0.18 -0.30 0.02 0.00 -0.86 0.00 0.00 29.16 28.20 2hgx h TRP 281 CO 0.02 0.83 -0.50 0.41 -1.05 0.00 0.00 178.44 178.15 2hgx n GLY 282 N -0.77 -0.36 0.07 1.49 0.00 -1.04 -4.92 105.19 99.66 2hgx n GLY 282 Ca 0.04 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2hgx n GLY 282 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgx n GLU 283 N -3.22 0.63 -3.98 1.61 1.02 -1.26 -5.00 120.64 110.43 2hgx n GLU 283 Ca -0.15 -0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.89 2hgx n GLU 283 Cb 0.63 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 2hgx n GLU 283 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2hgx s PHE 284 N -3.41 0.39 0.16 -0.32 -0.71 -1.26 -5.08 117.98 107.76 2hgx s PHE 284 Ca -0.04 -0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 54.78 2hgx s PHE 284 Cb 0.11 0.26 -0.07 0.00 -1.21 0.00 0.00 43.02 42.11 2hgx s PHE 284 CO 0.84 -1.09 1.06 0.50 -1.34 0.00 0.00 175.22 175.19 2hgx s ARG 285 N -3.72 4.63 -0.21 1.99 3.52 -0.85 -4.94 118.95 119.37 2hgx s ARG 285 Ca 0.22 1.64 0.01 0.00 -0.13 0.00 0.00 55.73 57.47 2hgx s ARG 285 Cb -0.02 -3.30 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 2hgx s ARG 285 CO 0.11 0.13 -0.09 0.08 -0.81 0.00 0.00 175.30 174.71 2hgx s VAL 286 N -0.21 1.67 0.15 7.11 1.01 -1.26 -0.81 120.40 128.06 2hgx s VAL 286 Ca 0.48 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2hgx s VAL 286 Cb -0.28 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2hgx s VAL 286 CO 0.33 0.10 -0.05 0.68 0.00 0.00 0.00 175.10 176.16 2hgx s VAL 287 N 1.37 0.89 -0.31 2.92 -7.23 -0.58 -5.00 120.40 112.45 2hgx s VAL 287 Ca -0.03 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 2hgx s VAL 287 Cb -0.17 -1.92 0.05 0.00 0.56 0.00 0.00 36.38 34.90 2hgx s VAL 287 CO -0.07 -0.67 0.02 -1.61 -0.31 0.00 0.00 175.10 172.45 2hgx s GLU 288 N -3.83 2.43 -0.03 4.82 2.02 -1.26 -2.53 118.70 120.32 2hgx s GLU 288 Ca 0.18 -1.28 -0.25 0.00 0.02 0.00 0.00 54.97 53.65 2hgx s GLU 288 Cb 0.05 -3.22 0.05 0.00 0.10 0.00 0.00 34.13 31.10 2hgx s GLU 288 CO 0.01 -0.64 0.54 0.50 0.02 0.00 0.00 175.26 175.69 2hgx s ARG 289 N 1.26 0.92 0.34 1.61 3.52 -0.30 -4.67 118.95 121.63 2hgx s ARG 289 Ca -0.04 0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 2hgx s ARG 289 Cb -0.20 0.42 -0.11 0.00 -1.56 0.00 0.00 34.95 33.51 2hgx s ARG 289 CO -0.01 -0.28 1.39 -0.08 -0.81 0.00 0.00 175.30 175.51 2hgx s THR 290 N -1.29 2.45 -0.13 4.11 -1.32 -1.26 -3.60 115.64 114.60 2hgx s THR 290 Ca -0.12 0.45 0.02 0.00 -1.21 0.00 0.00 61.69 60.83 2hgx s THR 290 Cb -0.02 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 2hgx s THR 290 CO 0.07 0.10 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.75 2hgx s ILE 291 N -1.03 2.26 0.22 5.08 1.01 -1.26 -5.01 121.20 122.47 2hgx s ILE 291 Ca 0.51 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 60.31 2hgx s ILE 291 Cb -0.43 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2hgx s ILE 291 CO 0.56 0.54 0.08 0.42 0.00 0.00 0.00 174.94 176.54 2hgx s THR 292 N 0.66 3.99 0.45 2.92 -4.23 -1.26 -0.63 115.64 117.53 2hgx s THR 292 Ca -0.10 -1.51 0.14 0.00 -1.18 0.00 0.00 61.69 59.05 2hgx s THR 292 Cb -0.16 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.77 2hgx s THR 292 CO 0.02 -0.26 1.99 0.24 -0.54 0.00 0.00 174.62 176.07 2hgx h MET 293 N 2.05 0.00 -0.43 3.99 2.86 -1.50 -1.75 114.93 120.14 2hgx h MET 293 Ca -0.47 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 2hgx h MET 293 Cb 1.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2hgx h MET 293 CO 0.60 0.18 0.12 -0.22 1.06 0.00 0.00 176.91 178.65 2hgx h LYS 294 N 0.00 0.69 -0.57 1.72 3.64 -1.86 0.31 116.57 120.50 2hgx h LYS 294 Ca -0.00 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 2hgx h LYS 294 Cb 0.32 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2hgx h LYS 294 CO 0.02 0.68 -0.02 1.96 -2.27 0.00 0.00 179.45 179.82 2hgx h GLN 295 N 0.56 1.02 -0.32 1.90 4.20 -1.84 -2.37 115.11 118.26 2hgx h GLN 295 Ca 0.14 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 2hgx h GLN 295 Cb 0.29 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2hgx h GLN 295 CO -0.00 1.02 -0.20 1.25 -0.67 0.00 0.00 178.83 180.24 2hgx h LEU 296 N 0.91 0.73 -0.56 1.46 5.85 -1.12 -1.91 115.31 120.67 2hgx h LEU 296 Ca 0.16 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2hgx h LEU 296 Cb 0.58 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2hgx h LEU 296 CO 0.03 1.00 0.35 -0.07 -0.34 0.00 0.00 178.44 179.41 2hgx h LEU 297 N 0.46 0.59 -0.53 2.25 3.38 -0.90 -0.15 115.31 120.41 2hgx h LEU 297 Ca 0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2hgx h LEU 297 Cb 0.74 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2hgx h LEU 297 CO 0.06 0.42 -0.02 -0.09 0.09 0.00 0.00 178.44 178.89 2hgx h ARG 298 N 0.71 0.95 -0.22 1.13 2.43 -1.42 -2.33 114.38 115.63 2hgx h ARG 298 Ca 0.21 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 2hgx h ARG 298 Cb -0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2hgx h ARG 298 CO -0.07 0.98 -0.30 0.00 -1.51 0.00 0.00 179.97 179.07 2hgx h ALA 299 N 0.94 1.08 -0.25 2.80 0.00 -0.90 -2.23 119.26 120.69 2hgx h ALA 299 Ca 0.15 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2hgx h ALA 299 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2hgx h ALA 299 CO 0.03 0.57 -0.61 -0.07 0.00 0.00 0.00 179.25 179.17 2hgx h LEU 300 N 0.39 0.95 -1.01 0.00 3.38 -0.90 0.19 115.31 118.31 2hgx h LEU 300 Ca 0.05 -0.54 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 2hgx h LEU 300 Cb 0.72 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2hgx h LEU 300 CO 0.06 1.34 -0.43 -0.33 0.09 0.00 0.00 178.44 179.17 2hgx h GLU 301 N 0.63 0.00 -0.02 1.13 5.08 -1.34 -2.79 114.58 117.27 2hgx h GLU 301 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hgx h GLU 301 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2hgx h GLU 301 CO 0.13 0.43 -0.02 0.39 -1.00 0.00 0.00 179.01 178.94 2hgx n GLU 302 N -3.72 1.73 -2.35 2.33 1.02 -0.85 -4.95 120.64 113.85 2hgx n GLU 302 Ca -0.01 -1.09 -0.15 0.00 -0.02 0.00 0.00 57.16 55.89 2hgx n GLU 302 Cb 0.50 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2hgx n GLU 302 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgx n GLY 303 N 1.21 -0.23 0.03 0.62 0.00 -0.88 -4.93 105.19 101.00 2hgx n GLY 303 Ca 0.18 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2hgx n GLY 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgx n ARG 304 N -2.51 0.19 -3.03 1.61 1.74 0.61 -4.90 116.66 110.37 2hgx n ARG 304 Ca -0.16 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 2hgx n ARG 304 Cb 0.63 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 2hgx n ARG 304 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hgx s VAL 305 N -3.12 5.02 -0.22 1.55 1.01 -1.23 -1.50 120.40 121.92 2hgx s VAL 305 Ca 0.06 1.44 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 2hgx s VAL 305 Cb 0.15 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 2hgx s VAL 305 CO 0.77 0.20 -0.35 0.54 0.00 0.00 0.00 175.10 176.27 2hgx n ARG 306 N 4.13 0.55 -3.85 2.72 1.74 -0.27 -4.71 116.66 116.96 2hgx n ARG 306 Ca -0.00 0.24 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 2hgx n ARG 306 Cb 0.51 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.38 2hgx n ARG 306 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2hgx s GLU 307 N -2.75 0.34 -0.03 5.56 2.02 -0.87 -3.31 118.70 119.67 2hgx s GLU 307 Ca -0.32 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.56 2hgx s GLU 307 Cb 0.08 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.46 2hgx s GLU 307 CO 0.45 -0.07 -0.09 0.08 0.02 0.00 0.00 175.26 175.65 2hgx s VAL 308 N -0.73 0.82 0.16 2.63 1.01 -1.26 0.00 120.40 123.03 2hgx s VAL 308 Ca -0.08 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2hgx s VAL 308 Cb -0.05 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.62 2hgx s VAL 308 CO 0.01 0.26 0.43 0.72 0.00 0.00 0.00 175.10 176.51 2hgx s PHE 309 N 0.24 -0.08 0.11 5.22 -0.71 -0.64 -1.47 117.98 120.64 2hgx s PHE 309 Ca -0.04 -0.25 0.05 0.00 -1.04 0.00 0.00 56.93 55.65 2hgx s PHE 309 Cb -0.09 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2hgx s PHE 309 CO 0.01 -0.78 0.02 0.20 -1.34 0.00 0.00 175.22 173.32 2hgx s GLY 310 N -2.85 1.89 0.00 1.99 0.00 -0.11 -0.84 107.32 107.40 2hgx s GLY 310 Ca 0.07 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 43.69 2hgx s GLY 310 CO -0.07 -1.14 -0.14 -1.35 0.00 0.00 0.00 173.10 170.40 2hgx s SER 311 N -2.47 1.68 0.00 1.64 1.04 0.36 -0.73 113.70 115.22 2hgx s SER 311 Ca 0.27 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2hgx s SER 311 Cb -0.11 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2hgx s SER 311 CO 0.19 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2hgx n GLY 312 N 2.51 0.41 0.20 7.32 0.00 -1.03 -0.74 105.19 113.86 2hgx n GLY 312 Ca -0.15 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 2hgx n GLY 312 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hgx h THR 313 N 0.00 1.17 0.12 2.61 2.02 -1.91 0.95 112.91 117.87 2hgx h THR 313 Ca 0.00 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2hgx h THR 313 Cb 0.00 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2hgx h THR 313 CO 0.00 0.18 -0.06 0.00 0.37 0.00 0.00 175.52 176.02 2hgx h ALA 314 N 1.08 -0.16 0.00 6.16 0.00 -1.96 -3.32 119.26 121.06 2hgx h ALA 314 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hgx h ALA 314 Cb 0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2hgx h ALA 314 CO -0.02 -0.42 -0.77 0.00 0.00 0.00 0.00 179.25 178.04 2hgx n ALA 315 N -2.34 3.35 -0.74 0.00 0.00 -1.24 -5.00 120.51 114.53 2hgx n ALA 315 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2hgx n ALA 315 Cb 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2hgx n ALA 315 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hgx n GLN 316 N -1.87 0.00 -3.76 0.00 1.13 0.33 -4.24 117.38 108.97 2hgx n GLN 316 Ca 0.03 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.82 2hgx n GLN 316 Cb 0.41 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.59 2hgx n GLN 316 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hgx s VAL 317 N 0.00 0.57 -0.25 5.09 1.01 -1.26 -2.47 120.40 123.09 2hgx s VAL 317 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2hgx s VAL 317 Cb 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.42 2hgx s VAL 317 CO 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 175.10 174.95 2hgx s PRO 319 N 1.34 3.45 -0.13 0.00 0.02 -1.26 -0.93 135.00 137.49 2hgx s PRO 319 Ca 0.01 1.93 0.02 0.00 0.02 0.00 0.00 61.00 62.98 2hgx s PRO 319 Cb -0.17 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.06 2hgx s PRO 319 CO -0.04 -0.85 -0.20 0.08 -0.33 0.00 0.00 177.00 175.66 2hgx s VAL 320 N -1.47 2.34 -0.10 3.83 1.01 -0.54 -0.95 120.40 124.51 2hgx s VAL 320 Ca 0.68 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2hgx s VAL 320 Cb -0.33 -1.94 -0.13 0.00 0.00 0.00 0.00 36.38 33.98 2hgx s VAL 320 CO 0.39 0.54 0.24 0.00 0.00 0.00 0.00 175.10 176.27 2hgx n HIS 321 N 3.81 0.00 -3.71 5.22 1.44 -0.76 -4.41 115.22 116.81 2hgx n HIS 321 Ca -0.19 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.38 2hgx n HIS 321 Cb 0.52 -0.16 -0.09 0.00 0.12 0.00 0.00 29.99 30.38 2hgx n HIS 321 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2hgx s ARG 322 N -2.46 0.62 -0.06 -1.40 3.52 -1.24 -0.87 118.95 117.06 2hgx s ARG 322 Ca -0.02 0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 2hgx s ARG 322 Cb 0.06 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.76 2hgx s ARG 322 CO 0.38 -0.12 -0.07 0.42 -0.81 0.00 0.00 175.30 175.10 2hgx s ILE 323 N -0.33 0.78 -0.43 4.11 1.01 -0.66 -0.47 121.20 125.21 2hgx s ILE 323 Ca -0.05 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 2hgx s ILE 323 Cb -0.03 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.70 2hgx s ILE 323 CO 0.03 0.29 0.33 -0.22 0.00 0.00 0.00 174.94 175.37 2hgx s LEU 324 N 1.04 5.28 -0.09 2.97 2.96 0.11 -0.74 118.68 130.21 2hgx s LEU 324 Ca -0.09 -1.06 0.01 0.00 -0.22 0.00 0.00 54.13 52.77 2hgx s LEU 324 Cb -0.14 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.41 2hgx s LEU 324 CO -0.00 -0.52 -0.09 -0.47 -1.32 0.00 0.00 176.35 173.95 2hgx s TYR 325 N 1.66 1.41 -1.47 5.38 6.14 -0.41 -0.65 117.35 129.41 2hgx s TYR 325 Ca 0.05 -0.62 -0.05 0.00 0.64 0.00 0.00 57.07 57.09 2hgx s TYR 325 Cb -0.21 -1.13 0.04 0.00 0.42 0.00 0.00 41.96 41.08 2hgx s TYR 325 CO 0.09 -0.40 0.57 1.63 0.64 0.00 0.00 175.55 178.08 2hgx n LYS 326 N 4.47 -3.66 -2.03 4.97 5.02 -1.26 -1.53 118.16 124.15 2hgx n LYS 326 Ca -0.17 0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 56.35 2hgx n LYS 326 Cb 0.51 -4.80 -0.05 0.00 -0.02 0.00 0.00 35.03 30.67 2hgx n LYS 326 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hgx n ASP 327 N -2.92 -5.69 -4.25 4.39 9.92 -1.26 -4.99 116.55 111.75 2hgx n ASP 327 Ca -0.20 0.22 -0.29 0.00 -0.53 0.00 0.00 54.79 53.99 2hgx n ASP 327 Cb 0.63 -4.83 -0.16 0.00 -0.64 0.00 0.00 41.12 36.12 2hgx n ASP 327 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2hgx s ARG 328 N -4.44 1.99 -0.14 -1.24 0.52 -0.58 -5.12 118.95 109.94 2hgx s ARG 328 Ca 0.00 -0.82 -0.18 0.00 -0.52 0.00 0.00 55.73 54.21 2hgx s ARG 328 Cb 0.00 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 2hgx s ARG 328 CO 0.00 0.45 0.50 -0.80 0.02 0.00 0.00 175.30 175.47 2hgx s ASN 329 N -0.41 6.65 -0.31 0.23 0.01 -1.26 -1.29 114.94 118.56 2hgx s ASN 329 Ca 0.05 0.78 -0.03 0.00 -0.71 0.00 0.00 52.86 52.95 2hgx s ASN 329 Cb -0.10 -2.29 0.05 0.00 0.41 0.00 0.00 41.25 39.31 2hgx s ASN 329 CO 0.00 -0.06 0.02 -0.76 -1.51 0.00 0.00 177.10 174.79 2hgx s LEU 330 N 0.97 3.99 -0.13 0.60 1.43 0.08 -5.00 118.68 120.62 2hgx s LEU 330 Ca 0.26 -1.25 -0.27 0.00 -1.03 0.00 0.00 54.13 51.83 2hgx s LEU 330 Cb -0.15 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2hgx s LEU 330 CO 0.10 -0.28 0.92 -2.28 0.23 0.00 0.00 176.35 175.05 2hgx s HIS 331 N 1.28 3.47 -0.34 0.29 5.65 -1.26 -1.65 115.29 122.74 2hgx s HIS 331 Ca -0.04 1.43 -0.13 0.00 0.25 0.00 0.00 55.06 56.57 2hgx s HIS 331 Cb -0.20 -3.10 -0.01 0.00 -1.18 0.00 0.00 32.58 28.09 2hgx s HIS 331 CO -0.00 -0.22 0.24 0.42 -0.65 0.00 0.00 174.74 174.52 2hgx s ILE 332 N 2.05 5.23 0.00 0.89 -1.09 -0.05 -4.98 121.20 123.25 2hgx s ILE 332 Ca 0.44 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2hgx s ILE 332 Cb -0.17 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2hgx s ILE 332 CO 0.15 -0.02 0.71 -0.81 -1.23 0.00 0.00 174.94 173.75 2hgx n PRO 333 N 5.10 0.54 -0.02 2.79 -0.04 -1.26 -4.46 135.00 137.65 2hgx n PRO 333 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 2hgx n PRO 333 Cb 0.49 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 2hgx n PRO 333 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2hgx h THR 334 N 0.78 0.52 0.00 0.52 2.02 -1.76 -2.23 112.91 112.76 2hgx h THR 334 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2hgx h THR 334 Cb 0.54 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2hgx h THR 334 CO 0.00 0.00 0.00 0.24 0.37 0.00 0.00 175.52 176.13 2hgx h MET 335 N -0.21 0.00 -0.03 6.66 2.86 -1.86 -2.52 114.93 119.82 2hgx h MET 335 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2hgx h MET 335 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2hgx h MET 335 CO -0.29 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.07 2hgx n GLU 336 N -2.69 1.82 -0.60 1.72 4.71 -0.88 -3.79 120.64 120.94 2hgx n GLU 336 Ca 0.02 -1.20 0.04 0.00 -0.01 0.00 0.00 57.16 56.01 2hgx n GLU 336 Cb 0.34 -1.47 0.20 0.00 -1.01 0.00 0.00 31.44 29.50 2hgx n GLU 336 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2hgx n ASN 337 N 0.45 2.08 0.00 1.62 3.02 -0.95 -5.03 115.26 116.46 2hgx n ASN 337 Ca 0.18 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.98 2hgx n ASN 337 Cb 0.41 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2hgx n ASN 337 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hgx n GLY 338 N -1.13 2.17 3.55 7.41 0.00 -1.25 -1.90 105.19 114.04 2hgx n GLY 338 Ca 0.23 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2hgx n GLY 338 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgx s PRO 339 N 0.00 3.20 0.17 1.61 0.04 -1.25 -4.90 135.00 133.86 2hgx s PRO 339 Ca 0.00 -0.28 -0.24 0.00 0.04 0.00 0.00 61.00 60.53 2hgx s PRO 339 Cb 0.00 -4.30 0.06 0.00 0.04 0.00 0.00 34.50 30.30 2hgx s PRO 339 CO 0.00 -2.19 1.59 0.93 0.04 0.00 0.00 177.00 177.37 2hgx h GLU 340 N 10.26 -0.24 -0.28 4.56 5.08 -1.68 -0.84 114.58 131.43 2hgx h GLU 340 Ca -0.23 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2hgx h GLU 340 Cb 1.05 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2hgx h GLU 340 CO 1.29 -0.16 -0.03 1.25 -1.00 0.00 0.00 179.01 180.36 2hgx h LEU 341 N -0.25 0.51 -0.32 1.33 5.85 -1.98 -2.13 115.31 118.32 2hgx h LEU 341 Ca 0.18 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2hgx h LEU 341 Cb 0.55 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2hgx h LEU 341 CO -0.59 0.73 0.13 0.40 -0.34 0.00 0.00 178.44 178.77 2hgx h ILE 342 N 0.29 0.94 -0.55 4.05 2.04 -1.93 0.10 117.51 122.45 2hgx h ILE 342 Ca 0.08 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2hgx h ILE 342 Cb 0.48 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2hgx h ILE 342 CO 0.02 0.05 0.17 -0.07 0.00 0.00 0.00 178.15 178.32 2hgx h LEU 343 N 0.28 0.76 -0.40 1.44 3.38 -1.14 -0.01 115.31 119.62 2hgx h LEU 343 Ca 0.14 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2hgx h LEU 343 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2hgx h LEU 343 CO -0.13 0.72 -0.38 -0.09 0.09 0.00 0.00 178.44 178.66 2hgx h ARG 344 N 0.80 0.95 -0.38 1.13 2.43 -0.88 -1.00 114.38 117.44 2hgx h ARG 344 Ca 0.18 -0.50 -0.04 0.00 -0.81 0.00 0.00 59.98 58.81 2hgx h ARG 344 Cb 0.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2hgx h ARG 344 CO -0.01 1.15 0.06 0.74 -1.51 0.00 0.00 179.97 180.41 2hgx h PHE 345 N 0.77 0.66 -0.62 2.20 0.05 -0.58 -1.83 116.94 117.60 2hgx h PHE 345 Ca 0.06 -0.09 -0.03 0.00 3.82 0.00 0.00 57.97 61.73 2hgx h PHE 345 Cb 0.98 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 38.72 2hgx h PHE 345 CO 0.06 0.67 0.26 1.96 -0.18 0.00 0.00 178.31 181.09 2hgx h GLN 346 N 0.47 0.91 -0.09 1.51 4.20 -0.91 -0.75 115.11 120.45 2hgx h GLN 346 Ca 0.11 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2hgx h GLN 346 Cb 0.36 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2hgx h GLN 346 CO 0.01 0.76 0.03 -0.22 -0.67 0.00 0.00 178.83 178.74 2hgx h LYS 347 N 0.86 0.14 -0.05 1.46 3.64 -1.08 -1.76 116.57 119.78 2hgx h LYS 347 Ca 0.21 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2hgx h LYS 347 Cb 0.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2hgx h LYS 347 CO -0.02 0.28 -0.52 0.93 -2.27 0.00 0.00 179.45 177.86 2hgx h GLU 348 N -0.03 0.13 -0.18 1.90 5.08 -1.23 -2.25 114.58 118.00 2hgx h GLU 348 Ca 0.03 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2hgx h GLU 348 Cb 0.20 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2hgx h GLU 348 CO -0.00 0.62 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.27 2hgx h LEU 349 N 0.10 0.56 -1.28 1.33 3.38 -1.08 -2.87 115.31 115.45 2hgx h LEU 349 Ca 0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2hgx h LEU 349 Cb 0.95 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2hgx h LEU 349 CO 0.07 0.98 0.24 0.11 0.09 0.00 0.00 178.44 179.93 2hgx h LYS 350 N 0.16 0.73 -0.59 1.13 1.57 -1.22 0.14 116.57 118.49 2hgx h LYS 350 Ca 0.01 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2hgx h LYS 350 Cb 0.87 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2hgx h LYS 350 CO 0.07 0.58 0.04 0.93 -0.57 0.00 0.00 179.45 180.49 2hgx h GLU 351 N 0.73 1.01 -0.04 3.15 5.08 -1.38 -1.37 114.58 121.77 2hgx h GLU 351 Ca 0.18 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2hgx h GLU 351 Cb 0.10 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hgx h GLU 351 CO -0.02 0.98 -0.20 0.82 -1.00 0.00 0.00 179.01 179.59 2hgx h ILE 352 N 0.91 1.47 -0.42 3.13 2.04 -1.22 -0.93 117.51 122.48 2hgx h ILE 352 Ca 0.17 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 2hgx h ILE 352 Cb 0.50 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2hgx h ILE 352 CO 0.02 0.47 0.22 1.56 0.00 0.00 0.00 178.15 180.42 2hgx h GLN 353 N -0.37 0.59 -0.32 2.37 4.20 -0.70 -3.05 115.11 117.83 2hgx h GLN 353 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2hgx h GLN 353 Cb 0.87 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2hgx h GLN 353 CO 0.04 0.49 0.00 0.66 -0.67 0.00 0.00 178.83 179.35 2hgx n TYR 354 N -4.70 0.43 -1.24 2.96 4.02 -0.52 -4.68 117.16 113.42 2hgx n TYR 354 Ca 0.01 -0.21 -0.07 0.00 -0.01 0.00 0.00 57.90 57.61 2hgx n TYR 354 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 2hgx n TYR 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hgx n GLY 355 N 1.12 0.87 0.16 2.72 0.00 -1.15 -4.21 105.19 104.71 2hgx n GLY 355 Ca 0.14 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 2hgx n GLY 355 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hgx h ILE 356 N 0.00 1.40 -3.35 -0.61 2.04 -1.48 -3.42 117.51 112.10 2hgx h ILE 356 Ca -0.14 -2.09 -0.57 0.00 1.00 0.00 0.00 64.86 63.06 2hgx h ILE 356 Cb 0.47 2.08 -0.34 0.00 -0.74 0.00 0.00 36.82 38.30 2hgx h ILE 356 CO 0.20 0.62 -0.83 -0.60 0.00 0.00 0.00 178.15 177.54 2hgx s ARG 357 N -3.67 2.15 0.17 2.37 3.52 -0.66 -5.04 118.95 117.79 2hgx s ARG 357 Ca -0.04 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 2hgx s ARG 357 Cb 0.12 -1.75 -0.08 0.00 -1.56 0.00 0.00 34.95 31.67 2hgx s ARG 357 CO 0.80 0.02 1.24 0.00 -0.81 0.00 0.00 175.30 176.56 2hgx s ALA 358 N 0.72 3.46 -0.04 6.12 0.00 -1.26 -4.38 121.76 126.38 2hgx s ALA 358 Ca -0.13 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 2hgx s ALA 358 Cb -0.16 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.54 2hgx s ALA 358 CO 0.03 -0.44 0.33 -1.58 0.00 0.00 0.00 175.76 174.10 2hgx s HIS 359 N 0.18 -0.24 -0.35 0.00 2.46 -1.26 -5.04 115.29 111.03 2hgx s HIS 359 Ca 0.55 0.45 0.25 0.00 0.47 0.00 0.00 55.06 56.78 2hgx s HIS 359 Cb -0.34 0.11 1.08 0.00 -0.13 0.00 0.00 32.58 33.31 2hgx s HIS 359 CO 0.36 -0.34 1.75 0.93 -2.47 0.00 0.00 174.74 174.97 2hgx h GLU 360 N 4.28 0.00 0.00 2.88 3.07 -1.99 -2.61 114.58 120.20 2hgx h GLU 360 Ca -0.29 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.54 2hgx h GLU 360 Cb 1.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2hgx h GLU 360 CO 0.37 0.00 -0.15 -1.49 -1.40 0.00 0.00 179.01 176.34 2hgx h TRP 361 N 0.00 0.00 -3.38 4.33 6.55 -1.96 -3.44 115.95 118.05 2hgx h TRP 361 Ca 0.00 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.25 2hgx h TRP 361 Cb 0.33 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.54 2hgx h TRP 361 CO 0.00 0.15 -0.17 -1.64 -1.05 0.00 0.00 178.44 175.73 2hgx s MET 362 N -3.54 4.27 -0.36 0.49 -1.94 -0.99 -1.02 119.30 116.20 2hgx s MET 362 Ca 0.02 0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 54.20 2hgx s MET 362 Cb 0.09 -3.48 0.01 0.00 2.01 0.00 0.00 34.83 33.46 2hgx s MET 362 CO 0.62 0.08 0.24 0.12 -0.01 0.00 0.00 175.02 176.07 2hgx s PHE 363 N 0.91 3.23 0.31 -0.03 5.36 -0.31 -4.93 117.98 122.53 2hgx s PHE 363 Ca 0.23 -0.56 -0.29 0.00 -0.96 0.00 0.00 56.93 55.35 2hgx s PHE 363 Cb -0.15 -2.48 -0.10 0.00 -0.34 0.00 0.00 43.02 39.95 2hgx s PHE 363 CO 0.09 -0.51 1.26 -2.14 -1.46 0.00 0.00 175.22 172.45 2hgx s PRO 364 N 1.65 4.43 0.00 10.12 0.02 -1.26 -0.53 135.00 149.43 2hgx s PRO 364 Ca 0.05 2.11 0.24 0.00 0.02 0.00 0.00 61.00 63.41 2hgx s PRO 364 Cb -0.18 -3.10 0.19 0.00 0.02 0.00 0.00 34.50 31.42 2hgx s PRO 364 CO 0.09 -0.09 1.25 0.28 -0.33 0.00 0.00 177.00 178.20