#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgj h LEU 2 N 0.00 0.00 0.00 0.99 3.38 -1.90 -2.95 115.31 114.83 1hgj h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hgj h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hgj h LEU 2 CO 0.00 0.26 -1.84 0.49 0.09 0.00 0.00 178.44 177.44 1hgj n PHE 3 N -3.64 0.03 -1.99 1.13 3.01 -1.26 -4.99 117.46 109.76 1hgj n PHE 3 Ca -0.01 0.01 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1hgj n PHE 3 Cb 0.39 -0.45 -0.01 0.00 -0.01 0.00 0.00 39.48 39.39 1hgj n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hgj n GLY 4 N 1.29 0.24 0.01 1.37 0.00 -1.12 -4.93 105.19 102.04 1hgj n GLY 4 Ca -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 1hgj n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgj h ALA 5 N 0.38 0.00 -2.67 4.61 0.00 -1.89 0.14 119.26 119.83 1hgj h ALA 5 Ca -0.24 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 1hgj h ALA 5 Cb 1.07 0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.96 1hgj h ALA 5 CO 0.30 0.06 0.73 0.42 0.00 0.00 0.00 179.25 180.77 1hgj s ILE 6 N -1.16 2.96 -1.32 0.00 1.01 -1.26 -0.97 121.20 120.45 1hgj s ILE 6 Ca -0.02 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 61.39 1hgj s ILE 6 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1hgj s ILE 6 CO 0.03 0.10 0.04 0.00 0.00 0.00 0.00 174.94 175.11 1hgj n ALA 7 N 2.94 -0.74 -2.14 9.38 0.00 -1.21 -3.82 120.51 124.91 1hgj n ALA 7 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1hgj n ALA 7 Cb 0.41 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1hgj n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hgj n GLY 8 N -0.92 3.87 0.24 0.00 0.00 -0.15 -4.86 105.19 103.38 1hgj n GLY 8 Ca -0.17 -0.47 0.16 0.00 0.00 0.00 0.00 46.02 45.54 1hgj n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1hgj h PHE 9 N 0.00 0.00 -3.24 1.61 -5.15 -0.32 -3.30 116.94 106.54 1hgj h PHE 9 Ca 0.00 0.00 -0.69 0.00 -0.20 0.00 0.00 57.97 57.08 1hgj h PHE 9 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 35.98 1hgj h PHE 9 CO 0.00 0.00 -0.01 0.42 -2.00 0.00 0.00 178.31 176.72 1hgj s ILE 10 N -3.63 4.93 0.25 0.88 1.01 -0.65 -4.09 121.20 119.90 1hgj s ILE 10 Ca 0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1hgj s ILE 10 Cb 0.09 -4.28 0.29 0.00 0.01 0.00 0.00 42.46 38.57 1hgj s ILE 10 CO 0.46 -0.78 1.63 -0.08 0.00 0.00 0.00 174.94 176.17 1hgj h GLU 11 N 8.96 0.08 -2.77 2.79 4.57 -1.84 -3.21 114.58 123.16 1hgj h GLU 11 Ca -0.28 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.00 1hgj h GLU 11 Cb 1.10 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.60 1hgj h GLU 11 CO 0.96 0.05 0.32 0.54 -1.18 0.00 0.00 179.01 179.69 1hgj s ASN 12 N -5.19 -0.25 0.76 1.04 4.22 -1.26 -4.73 114.94 109.53 1hgj s ASN 12 Ca -0.14 -0.49 -0.09 0.00 -2.14 0.00 0.00 52.86 50.00 1hgj s ASN 12 Cb 0.22 0.64 0.08 0.00 1.28 0.00 0.00 41.25 43.47 1hgj s ASN 12 CO 0.75 -1.17 1.10 -0.83 -2.04 0.00 0.00 177.10 174.92 1hgj s GLY 13 N -2.91 1.66 -0.36 0.45 0.00 -1.26 -5.01 107.32 99.89 1hgj s GLY 13 Ca 0.11 -0.86 -0.10 0.00 0.00 0.00 0.00 44.72 43.87 1hgj s GLY 13 CO 0.04 -0.39 0.18 -0.98 0.00 0.00 0.00 173.10 171.95 1hgj s TRP 14 N -3.42 3.23 0.22 1.90 0.51 -1.26 -4.93 118.94 115.19 1hgj s TRP 14 Ca 0.62 -0.97 0.32 0.00 -2.12 0.00 0.00 56.10 53.95 1hgj s TRP 14 Cb -0.10 -2.40 1.43 0.00 -0.81 0.00 0.00 33.47 31.58 1hgj s TRP 14 CO 0.47 -0.63 2.01 0.93 -0.51 0.00 0.00 176.95 179.22 1hgj h GLU 15 N 8.39 0.00 0.00 4.98 5.08 -2.04 -2.73 114.58 128.26 1hgj h GLU 15 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1hgj h GLU 15 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1hgj h GLU 15 CO 0.65 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 179.13 1hgj n GLY 16 N -0.17 -1.42 3.57 -3.84 0.00 -1.26 -4.68 105.19 97.38 1hgj n GLY 16 Ca -0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1hgj n GLY 16 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hgj s MET 17 N -3.05 3.53 0.00 1.61 -2.45 -1.03 -4.81 119.30 113.10 1hgj s MET 17 Ca 0.11 0.18 0.09 0.00 -1.25 0.00 0.00 55.69 54.82 1hgj s MET 17 Cb 0.15 -3.95 -0.09 0.00 1.25 0.00 0.00 34.83 32.19 1hgj s MET 17 CO 0.48 -1.34 0.42 0.44 1.05 0.00 0.00 175.02 176.06 1hgj n ILE 18 N 6.50 0.00 0.18 10.11 -5.35 -1.26 -4.54 119.36 125.00 1hgj n ILE 18 Ca 0.07 -0.30 0.12 0.00 -0.27 0.00 0.00 62.75 62.37 1hgj n ILE 18 Cb 0.48 1.02 0.24 0.00 -1.74 0.00 0.00 39.64 39.64 1hgj n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1hgj n ASP 19 N -1.08 3.59 0.00 7.28 5.75 -1.26 -5.01 116.55 125.82 1hgj n ASP 19 Ca 0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1hgj n ASP 19 Cb 0.15 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1hgj n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hgj n GLY 20 N 1.55 0.14 0.08 6.12 0.00 -1.26 -4.81 105.19 107.01 1hgj n GLY 20 Ca 0.21 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 1hgj n GLY 20 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hgj n TRP 21 N -0.25 0.98 -4.21 1.61 7.02 -1.26 -4.92 117.44 116.41 1hgj n TRP 21 Ca 0.00 0.35 -0.18 0.00 -1.02 0.00 0.00 57.50 56.65 1hgj n TRP 21 Cb 0.00 -1.18 -0.11 0.00 -2.42 0.00 0.00 31.31 27.60 1hgj n TRP 21 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1hgj s TYR 22 N -2.59 1.31 -0.01 -5.99 2.02 -1.26 -5.03 117.35 105.79 1hgj s TYR 22 Ca -0.05 -0.54 -0.04 0.00 -0.37 0.00 0.00 57.07 56.06 1hgj s TYR 22 Cb 0.08 -0.70 0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1hgj s TYR 22 CO 0.82 0.10 0.20 0.41 -1.57 0.00 0.00 175.55 175.51 1hgj n GLY 23 N 0.73 0.35 3.41 0.71 0.00 -1.26 0.24 105.19 109.36 1hgj n GLY 23 Ca -0.17 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 1hgj n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hgj s PHE 24 N -2.01 2.22 -0.02 1.61 0.40 0.28 -4.88 117.98 115.57 1hgj s PHE 24 Ca 0.05 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1hgj s PHE 24 Cb -0.00 -1.11 0.03 0.00 0.51 0.00 0.00 43.02 42.45 1hgj s PHE 24 CO -0.00 0.47 0.02 0.50 0.70 0.00 0.00 175.22 176.90 1hgj s ARG 25 N -2.65 0.04 0.10 0.44 3.52 -1.26 -0.27 118.95 118.87 1hgj s ARG 25 Ca 0.19 0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.97 1hgj s ARG 25 Cb -0.08 -0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 32.99 1hgj s ARG 25 CO 0.09 -0.15 -0.07 -3.38 -0.81 0.00 0.00 175.30 170.98 1hgj s HIS 26 N 0.99 0.93 -0.14 5.12 -3.43 -0.32 -4.96 115.29 113.48 1hgj s HIS 26 Ca -0.09 -0.90 -0.04 0.00 -0.80 0.00 0.00 55.06 53.23 1hgj s HIS 26 Cb -0.12 -0.53 0.05 0.00 -1.43 0.00 0.00 32.58 30.55 1hgj s HIS 26 CO -0.03 -0.13 0.07 -1.14 -2.00 0.00 0.00 174.74 171.51 1hgj s GLN 27 N -3.83 0.18 0.43 -0.38 0.74 -1.26 -1.60 119.66 113.94 1hgj s GLN 27 Ca 0.13 -0.03 0.03 0.00 0.05 0.00 0.00 55.36 55.54 1hgj s GLN 27 Cb 0.05 -1.54 -0.01 0.00 1.10 0.00 0.00 33.01 32.61 1hgj s GLN 27 CO -0.04 -0.56 0.12 0.27 -0.55 0.00 0.00 175.29 174.53 1hgj n ASN 28 N 5.23 1.63 0.00 6.67 6.94 0.74 -5.00 115.26 131.47 1hgj n ASN 28 Ca -0.07 -3.20 0.06 0.00 -0.02 0.00 0.00 54.58 51.35 1hgj n ASN 28 Cb 0.49 0.92 0.34 0.00 -2.36 0.00 0.00 39.78 39.17 1hgj n ASN 28 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1hgj n SER 29 N -1.48 0.00 -0.01 0.53 3.41 -1.26 -1.41 113.62 113.41 1hgj n SER 29 Ca -0.09 -0.46 0.02 0.00 -0.26 0.00 0.00 58.87 58.08 1hgj n SER 29 Cb 0.62 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 1hgj n SER 29 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1hgj n GLU 30 N -0.93 0.61 -3.51 4.33 2.13 -1.26 -5.12 120.64 116.88 1hgj n GLU 30 Ca 0.09 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1hgj n GLU 30 Cb 0.04 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.59 1hgj n GLU 30 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hgj n GLY 31 N 2.19 -0.49 3.21 8.31 0.00 -0.50 -5.08 105.19 112.84 1hgj n GLY 31 Ca -0.03 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 1hgj n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hgj s THR 32 N -3.11 1.27 0.31 2.61 -4.23 -1.26 -0.18 115.64 111.04 1hgj s THR 32 Ca 0.00 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 58.83 1hgj s THR 32 Cb 0.00 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.55 1hgj s THR 32 CO 0.00 -0.28 0.70 -0.83 -0.54 0.00 0.00 174.62 173.67 1hgj s GLY 33 N -2.05 0.17 0.02 3.99 0.00 -0.63 -4.96 107.32 103.86 1hgj s GLY 33 Ca 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1hgj s GLY 33 CO 0.03 -0.24 -0.05 1.62 0.00 0.00 0.00 173.10 174.45 1hgj s GLN 34 N -3.45 0.40 -0.22 2.90 0.74 -1.26 -1.17 119.66 117.60 1hgj s GLN 34 Ca 0.14 -0.56 -0.13 0.00 0.05 0.00 0.00 55.36 54.86 1hgj s GLN 34 Cb -0.05 -0.15 0.07 0.00 1.10 0.00 0.00 33.01 33.98 1hgj s GLN 34 CO 0.09 0.02 0.55 0.00 -0.55 0.00 0.00 175.29 175.40 1hgj s ALA 35 N -1.11 -1.45 0.61 1.58 0.00 0.63 -4.97 121.76 117.05 1hgj s ALA 35 Ca -0.09 1.93 -0.16 0.00 0.00 0.00 0.00 51.96 53.64 1hgj s ALA 35 Cb -0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1hgj s ALA 35 CO -0.00 -0.32 1.08 0.00 0.00 0.00 0.00 175.76 176.52 1hgj s ALA 36 N 1.41 2.65 -0.28 0.00 0.00 -1.26 -0.56 121.76 123.71 1hgj s ALA 36 Ca -0.09 0.50 -0.10 0.00 0.00 0.00 0.00 51.96 52.27 1hgj s ALA 36 Cb -0.07 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1hgj s ALA 36 CO -0.15 -0.95 0.16 0.34 0.00 0.00 0.00 175.76 175.17 1hgj s ASP 37 N -2.57 5.73 0.25 0.00 2.15 0.14 -4.82 116.67 117.55 1hgj s ASP 37 Ca 0.66 -0.17 0.20 0.00 0.43 0.00 0.00 52.55 53.67 1hgj s ASP 37 Cb -0.18 -2.06 0.07 0.00 -0.30 0.00 0.00 42.92 40.45 1hgj s ASP 37 CO 0.37 -0.09 1.20 -0.07 -0.17 0.00 0.00 175.17 176.41 1hgj h LEU 38 N 8.35 0.00 -0.14 -1.34 3.38 -1.94 -3.06 115.31 120.56 1hgj h LEU 38 Ca -0.35 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 1hgj h LEU 38 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1hgj h LEU 38 CO 0.57 0.19 -0.35 0.11 0.09 0.00 0.00 178.44 179.06 1hgj h LYS 39 N 0.00 0.47 -0.08 1.13 1.57 -1.96 -0.76 116.57 116.95 1hgj h LYS 39 Ca -0.03 -0.33 -0.16 0.00 -1.87 0.00 0.00 60.65 58.26 1hgj h LYS 39 Cb 1.17 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1hgj h LYS 39 CO 0.02 0.94 -0.64 0.66 -0.57 0.00 0.00 179.45 179.86 1hgj h SER 40 N 0.08 0.34 -0.77 0.86 4.64 -1.96 -0.70 113.55 116.04 1hgj h SER 40 Ca -0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1hgj h SER 40 Cb 0.96 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 1hgj h SER 40 CO 0.08 0.89 0.49 0.74 -0.87 0.00 0.00 176.83 178.16 1hgj h THR 41 N 0.22 1.21 -0.42 2.95 2.02 -1.47 -1.00 112.91 116.41 1hgj h THR 41 Ca -0.01 -0.41 -0.15 0.00 0.77 0.00 0.00 66.41 66.60 1hgj h THR 41 Cb 1.17 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1hgj h THR 41 CO 0.10 0.21 -0.32 -0.61 0.37 0.00 0.00 175.52 175.27 1hgj h GLN 42 N 1.05 0.96 -0.10 6.66 5.75 -0.80 -0.18 115.11 128.46 1hgj h GLN 42 Ca 0.28 -0.47 0.03 0.00 -0.15 0.00 0.00 58.65 58.34 1hgj h GLN 42 Cb -0.08 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1hgj h GLN 42 CO -0.06 1.13 -0.08 0.00 -2.65 0.00 0.00 178.83 177.17 1hgj h ALA 43 N 0.82 -0.01 -0.11 3.38 0.00 -0.82 0.21 119.26 122.73 1hgj h ALA 43 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hgj h ALA 43 Cb 0.91 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1hgj h ALA 43 CO 0.08 -0.55 0.07 0.00 0.00 0.00 0.00 179.25 178.86 1hgj h ALA 44 N 0.97 0.13 -0.42 0.00 0.00 -1.09 -2.53 119.26 116.33 1hgj h ALA 44 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hgj h ALA 44 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1hgj h ALA 44 CO -0.16 -0.36 0.21 0.82 0.00 0.00 0.00 179.25 179.75 1hgj h ILE 45 N 0.12 1.17 -0.61 0.00 2.04 -0.45 -2.21 117.51 117.57 1hgj h ILE 45 Ca 0.04 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1hgj h ILE 45 Cb 0.01 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1hgj h ILE 45 CO -0.01 0.19 0.41 0.44 0.00 0.00 0.00 178.15 179.18 1hgj h ASP 46 N 0.54 0.71 -0.42 1.72 3.32 -0.57 0.14 116.42 121.85 1hgj h ASP 46 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1hgj h ASP 46 Cb 0.11 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1hgj h ASP 46 CO -0.02 0.51 0.24 1.56 -1.72 0.00 0.00 179.24 179.81 1hgj h GLN 47 N 0.83 0.58 -0.30 3.56 4.20 -1.23 0.88 115.11 123.63 1hgj h GLN 47 Ca 0.23 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1hgj h GLN 47 Cb -0.10 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1hgj h GLN 47 CO -0.05 0.46 -0.12 0.82 -0.67 0.00 0.00 178.83 179.27 1hgj h ILE 48 N 0.55 1.23 -0.06 2.54 2.04 -0.98 -1.29 117.51 121.54 1hgj h ILE 48 Ca 0.15 -1.01 -0.12 0.00 1.00 0.00 0.00 64.86 64.88 1hgj h ILE 48 Cb 0.04 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1hgj h ILE 48 CO -0.03 0.33 -0.50 0.78 0.00 0.00 0.00 178.15 178.74 1hgj h ASN 49 N 0.48 0.16 -0.28 1.72 -0.26 -0.38 -0.33 115.58 116.69 1hgj h ASN 49 Ca 0.09 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1hgj h ASN 49 Cb 0.49 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1hgj h ASN 49 CO 0.03 0.63 0.14 1.23 -1.06 0.00 0.00 177.43 178.40 1hgj h GLY 50 N 1.40 0.43 0.98 2.83 0.00 -0.09 0.09 103.07 108.72 1hgj h GLY 50 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1hgj h GLY 50 CO 0.07 0.20 0.19 1.70 0.00 0.00 0.00 176.54 178.70 1hgj h LYS 51 N 0.32 0.41 -0.44 4.80 3.64 -1.14 -2.63 116.57 121.52 1hgj h LYS 51 Ca 0.10 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1hgj h LYS 51 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1hgj h LYS 51 CO -0.01 0.30 0.26 1.25 -2.27 0.00 0.00 179.45 178.98 1hgj h LEU 52 N 0.39 0.54 -1.16 5.20 5.85 -0.57 -2.41 115.31 123.15 1hgj h LEU 52 Ca 0.11 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1hgj h LEU 52 Cb -0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1hgj h LEU 52 CO -0.02 0.45 -0.41 0.78 -0.34 0.00 0.00 178.44 178.90 1hgj h ASN 53 N 0.58 0.00 -0.47 1.25 2.35 -0.81 -1.97 115.58 116.51 1hgj h ASN 53 Ca 0.16 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1hgj h ASN 53 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1hgj h ASN 53 CO -0.03 0.41 -0.20 -0.09 -1.65 0.00 0.00 177.43 175.87 1hgj h ARG 54 N 0.00 0.97 -0.05 0.81 9.65 -1.08 -1.36 114.38 123.33 1hgj h ARG 54 Ca -0.00 -0.41 -0.10 0.00 -1.10 0.00 0.00 59.98 58.36 1hgj h ARG 54 Cb 0.76 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1hgj h ARG 54 CO 0.05 1.08 -0.44 0.28 2.80 0.00 0.00 179.97 183.75 1hgj h VAL 55 N 0.82 1.32 -0.13 0.20 2.07 -1.06 -2.56 116.25 116.91 1hgj h VAL 55 Ca 0.11 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1hgj h VAL 55 Cb 0.77 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1hgj h VAL 55 CO 0.06 0.45 0.00 -0.38 0.02 0.00 0.00 177.57 177.73 1hgj n ILE 56 N -4.01 0.15 -1.76 4.57 5.41 -0.88 -4.92 119.36 117.93 1hgj n ILE 56 Ca -0.02 -0.43 -0.42 0.00 1.00 0.00 0.00 62.75 62.88 1hgj n ILE 56 Cb 0.48 0.80 -0.03 0.00 -0.71 0.00 0.00 39.64 40.18 1hgj n ILE 56 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1hgj s GLU 57 N -1.85 4.15 0.00 0.38 2.12 -0.54 -4.60 118.70 118.36 1hgj s GLU 57 Ca 0.34 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.22 1hgj s GLU 57 Cb 0.20 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1hgj s GLU 57 CO 0.30 -0.80 0.00 1.17 -0.54 0.00 0.00 175.26 175.39 1hgj n LYS 58 N 5.30 -0.27 -2.42 4.30 3.00 -1.26 -4.95 118.16 121.86 1hgj n LYS 58 Ca 0.17 0.26 -0.42 0.00 -0.00 0.00 0.00 58.31 58.31 1hgj n LYS 58 Cb 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 35.03 35.06 1hgj n LYS 58 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1hgj s THR 59 N 0.00 4.18 0.56 3.15 -4.23 -1.26 -5.01 115.64 113.02 1hgj s THR 59 Ca 0.00 1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 61.87 1hgj s THR 59 Cb 0.00 -3.97 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 1hgj s THR 59 CO 0.00 -0.01 1.00 0.54 -0.54 0.00 0.00 174.62 175.61 1hgj s ASN 60 N 1.59 6.45 0.04 3.99 4.22 -1.26 -5.05 114.94 124.91 1hgj s ASN 60 Ca 0.57 1.51 0.05 0.00 -2.14 0.00 0.00 52.86 52.85 1hgj s ASN 60 Cb -0.25 -2.49 -0.04 0.00 1.28 0.00 0.00 41.25 39.75 1hgj s ASN 60 CO 0.22 -0.71 -0.09 -1.83 -2.04 0.00 0.00 177.10 172.65 1hgj s GLU 61 N -4.53 2.39 0.00 3.55 -1.05 -1.26 -5.11 118.70 112.69 1hgj s GLU 61 Ca 0.57 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.57 1hgj s GLU 61 Cb -0.10 -2.41 -0.01 0.00 -0.44 0.00 0.00 34.13 31.16 1hgj s GLU 61 CO 0.41 0.57 -0.05 0.15 0.95 0.00 0.00 175.26 177.29 1hgj s LYS 62 N -1.64 0.37 0.00 -4.83 -0.14 -1.26 -5.13 119.74 107.12 1hgj s LYS 62 Ca 0.18 -0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 1hgj s LYS 62 Cb -0.11 -0.31 0.00 0.00 -1.68 0.00 0.00 37.83 35.72 1hgj s LYS 62 CO 0.09 0.08 0.00 1.19 -0.76 0.00 0.00 175.35 175.95 1hgj n PHE 63 N 2.70 0.00 -2.01 3.18 3.72 -1.26 -5.01 117.46 118.78 1hgj n PHE 63 Ca -0.15 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 1hgj n PHE 63 Cb 0.58 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 1hgj n PHE 63 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1hgj s HIS 64 N 2.12 2.97 0.00 1.38 2.46 -1.26 -4.97 115.29 118.00 1hgj s HIS 64 Ca 0.00 0.66 0.00 0.00 0.47 0.00 0.00 55.06 56.19 1hgj s HIS 64 Cb 0.00 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 1hgj s HIS 64 CO 0.00 -3.18 0.00 1.04 -2.47 0.00 0.00 174.74 170.13 1hgj n GLN 65 N 4.37 0.17 -4.48 2.88 6.02 -1.26 -5.16 117.38 119.92 1hgj n GLN 65 Ca 0.14 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.88 1hgj n GLN 65 Cb 0.40 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.56 1hgj n GLN 65 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1hgj s ILE 66 N 3.93 2.44 0.33 5.09 -4.36 -1.26 -5.11 121.20 122.26 1hgj s ILE 66 Ca 0.00 -2.30 -0.28 0.00 -0.26 0.00 0.00 60.65 57.82 1hgj s ILE 66 Cb 0.00 -2.47 -0.09 0.00 1.25 0.00 0.00 42.46 41.14 1hgj s ILE 66 CO 0.00 -0.32 1.18 -1.61 0.24 0.00 0.00 174.94 174.43 1hgj s GLU 67 N -3.56 4.40 0.00 0.37 0.41 -1.26 -4.95 118.70 114.10 1hgj s GLU 67 Ca 0.31 1.93 0.00 0.00 -0.41 0.00 0.00 54.97 56.80 1hgj s GLU 67 Cb -0.02 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1hgj s GLU 67 CO 0.16 -0.05 0.76 1.63 -0.49 0.00 0.00 175.26 177.27 1hgj n LYS 68 N 0.76 1.46 -3.77 1.61 5.02 -1.26 -4.86 118.16 117.11 1hgj n LYS 68 Ca 0.01 -1.05 -0.13 0.00 -2.02 0.00 0.00 58.31 55.12 1hgj n LYS 68 Cb 0.44 -0.92 -0.12 0.00 -0.02 0.00 0.00 35.03 34.41 1hgj n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hgj s GLU 69 N -0.58 0.22 0.04 1.97 2.02 -1.26 -5.07 118.70 116.04 1hgj s GLU 69 Ca 0.00 0.39 0.05 0.00 0.02 0.00 0.00 54.97 55.42 1hgj s GLU 69 Cb 0.00 0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.22 1hgj s GLU 69 CO 0.00 -0.09 -0.13 -0.06 0.02 0.00 0.00 175.26 175.00 1hgj s PHE 70 N 0.60 1.16 -0.49 1.61 0.08 -1.26 -5.07 117.98 114.62 1hgj s PHE 70 Ca -0.04 -0.35 0.14 0.00 0.12 0.00 0.00 56.93 56.81 1hgj s PHE 70 Cb -0.05 -0.69 -0.17 0.00 -0.57 0.00 0.00 43.02 41.53 1hgj s PHE 70 CO -0.03 0.02 0.52 -1.13 -0.10 0.00 0.00 175.22 174.50 1hgj n SER 71 N 1.94 0.95 -4.63 1.36 3.41 -1.26 -5.00 113.62 110.39 1hgj n SER 71 Ca -0.18 -0.60 -0.26 0.00 -0.26 0.00 0.00 58.87 57.58 1hgj n SER 71 Cb 0.55 1.19 -0.09 0.00 -0.26 0.00 0.00 64.21 65.59 1hgj n SER 71 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hgj s GLU 72 N -2.53 2.02 -0.22 4.33 0.41 -1.26 -5.11 118.70 116.34 1hgj s GLU 72 Ca 0.02 -1.87 -0.13 0.00 -0.41 0.00 0.00 54.97 52.58 1hgj s GLU 72 Cb 0.10 -1.84 -0.04 0.00 -1.78 0.00 0.00 34.13 30.57 1hgj s GLU 72 CO 0.59 0.06 0.28 0.08 -0.49 0.00 0.00 175.26 175.78 1hgj s VAL 73 N -2.59 5.28 0.00 2.63 1.01 -1.26 -4.96 120.40 120.51 1hgj s VAL 73 Ca 0.35 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1hgj s VAL 73 Cb 0.03 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1hgj s VAL 73 CO 0.19 0.30 0.00 -0.62 0.00 0.00 0.00 175.10 174.97 1hgj n GLU 74 N 4.39 1.84 0.00 2.72 1.02 -1.26 -5.13 120.64 124.22 1hgj n GLU 74 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1hgj n GLU 74 Cb 0.52 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 1hgj n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hgj n GLY 75 N 2.42 1.06 0.30 0.62 0.00 -1.26 -4.73 105.19 103.60 1hgj n GLY 75 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 1hgj n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hgj h ARG 76 N 0.00 -0.12 -0.38 1.61 2.43 -2.00 -0.83 114.38 115.10 1hgj h ARG 76 Ca 0.00 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1hgj h ARG 76 Cb 0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1hgj h ARG 76 CO 0.00 -0.08 -0.37 0.97 -1.51 0.00 0.00 179.97 178.99 1hgj h ILE 77 N -0.12 1.27 -0.04 1.20 6.09 -2.01 -2.83 117.51 121.08 1hgj h ILE 77 Ca 0.25 -1.54 -0.11 0.00 -1.37 0.00 0.00 64.86 62.10 1hgj h ILE 77 Cb 0.52 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 1hgj h ILE 77 CO -0.64 0.51 -0.47 -0.61 -3.07 0.00 0.00 178.15 173.87 1hgj h GLN 78 N 0.74 0.09 -0.70 2.19 4.15 -1.61 -1.39 115.11 118.58 1hgj h GLN 78 Ca 0.06 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1hgj h GLN 78 Cb 0.95 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1hgj h GLN 78 CO 0.09 0.54 0.41 -0.44 -1.93 0.00 0.00 178.83 177.50 1hgj h ASP 79 N 0.07 0.86 -0.23 -0.69 3.32 -0.99 -1.08 116.42 117.68 1hgj h ASP 79 Ca 0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1hgj h ASP 79 Cb 0.86 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1hgj h ASP 79 CO 0.06 0.69 -0.11 0.25 -1.72 0.00 0.00 179.24 178.41 1hgj h LEU 80 N 0.96 0.50 -0.70 1.55 5.85 -1.21 0.72 115.31 122.97 1hgj h LEU 80 Ca 0.25 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1hgj h LEU 80 Cb -0.00 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 1hgj h LEU 80 CO -0.04 0.79 0.35 -0.33 -0.34 0.00 0.00 178.44 178.87 1hgj h GLU 81 N 0.20 0.57 -0.19 1.25 5.08 -1.06 0.10 114.58 120.52 1hgj h GLU 81 Ca 0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1hgj h GLU 81 Cb 0.61 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1hgj h GLU 81 CO 0.03 0.38 0.02 0.87 -1.00 0.00 0.00 179.01 179.31 1hgj h LYS 82 N 0.59 0.32 -0.78 2.33 1.57 -1.08 -3.07 116.57 116.45 1hgj h LYS 82 Ca 0.35 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1hgj h LYS 82 Cb 0.37 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1hgj h LYS 82 CO -0.27 0.50 0.44 -0.92 -0.57 0.00 0.00 179.45 178.63 1hgj h TYR 83 N 0.10 1.06 -0.44 -1.35 3.20 -0.05 -0.64 116.97 118.86 1hgj h TYR 83 Ca 0.06 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1hgj h TYR 83 Cb 0.34 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1hgj h TYR 83 CO 0.02 0.73 0.16 0.28 -1.64 0.00 0.00 178.16 177.72 1hgj h VAL 84 N 1.08 0.87 -0.22 1.81 2.07 -0.85 -0.08 116.25 120.93 1hgj h VAL 84 Ca 0.28 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.49 1hgj h VAL 84 Cb 0.01 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1hgj h VAL 84 CO -0.05 0.06 -0.64 -0.08 0.02 0.00 0.00 177.57 176.88 1hgj h GLU 85 N 0.33 0.78 -0.21 1.57 4.57 -1.33 -1.25 114.58 119.05 1hgj h GLU 85 Ca 0.21 -0.55 -0.11 0.00 -1.18 0.00 0.00 59.36 57.72 1hgj h GLU 85 Cb 0.19 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1hgj h GLU 85 CO -0.20 1.17 -0.34 0.22 -1.18 0.00 0.00 179.01 178.68 1hgj h ASP 86 N 0.57 0.47 0.90 1.04 3.58 -0.84 0.38 116.42 122.52 1hgj h ASP 86 Ca -0.01 -0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.10 1hgj h ASP 86 Cb 1.25 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 1hgj h ASP 86 CO 0.13 0.78 -0.72 0.71 -2.88 0.00 0.00 179.24 177.26 1hgj h THR 87 N 0.39 1.41 0.10 2.25 1.35 -0.81 -2.18 112.91 115.42 1hgj h THR 87 Ca 0.04 -2.57 -0.01 0.00 -0.55 0.00 0.00 66.41 63.33 1hgj h THR 87 Cb 0.78 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1hgj h THR 87 CO 0.06 0.71 -0.05 0.50 -0.25 0.00 0.00 175.52 176.49 1hgj h LYS 88 N 0.00 -0.13 -0.21 4.72 3.64 -0.52 -2.38 116.57 121.68 1hgj h LYS 88 Ca -0.01 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1hgj h LYS 88 Cb 1.37 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1hgj h LYS 88 CO 0.09 0.06 -0.06 0.82 -2.27 0.00 0.00 179.45 178.09 1hgj h ILE 89 N -0.31 0.76 -0.74 2.00 2.04 -0.89 -0.69 117.51 119.68 1hgj h ILE 89 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1hgj h ILE 89 Cb 0.26 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1hgj h ILE 89 CO 0.02 0.00 0.49 0.44 0.00 0.00 0.00 178.15 179.10 1hgj h ASP 90 N -0.02 0.77 -0.14 1.72 3.32 -1.34 0.81 116.42 121.54 1hgj h ASP 90 Ca 0.11 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1hgj h ASP 90 Cb 0.18 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1hgj h ASP 90 CO -0.23 0.52 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.66 1hgj h LEU 91 N 0.89 0.31 -1.48 1.55 3.38 -0.88 0.72 115.31 119.79 1hgj h LEU 91 Ca 0.30 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1hgj h LEU 91 Cb 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1hgj h LEU 91 CO -0.09 0.67 -0.16 -0.50 0.09 0.00 0.00 178.44 178.45 1hgj h TRP 92 N -0.05 0.14 -0.22 1.13 4.06 -0.74 -1.45 115.95 118.82 1hgj h TRP 92 Ca 0.03 -0.01 -0.15 0.00 2.06 0.00 0.00 58.89 60.81 1hgj h TRP 92 Cb 0.56 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1hgj h TRP 92 CO 0.07 0.30 -0.49 0.77 -3.56 0.00 0.00 178.44 175.52 1hgj h SER 93 N 0.13 0.65 -0.32 -3.49 0.02 -0.48 -1.55 113.55 108.51 1hgj h SER 93 Ca 0.02 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1hgj h SER 93 Cb 0.37 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1hgj h SER 93 CO 0.02 1.03 0.17 0.22 -1.14 0.00 0.00 176.83 177.14 1hgj h TYR 94 N 0.47 0.43 -0.09 3.45 3.20 -0.30 -1.70 116.97 122.43 1hgj h TYR 94 Ca 0.02 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1hgj h TYR 94 Cb 1.03 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1hgj h TYR 94 CO 0.04 0.35 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.98 1hgj h ASN 95 N 0.39 -0.08 -0.49 -2.11 2.35 -0.96 -0.94 115.58 113.73 1hgj h ASN 95 Ca 0.11 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1hgj h ASN 95 Cb 0.06 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1hgj h ASN 95 CO -0.02 -0.03 0.31 0.00 -1.65 0.00 0.00 177.43 176.04 1hgj h ALA 96 N 1.09 0.63 -0.35 -0.83 0.00 -1.08 -0.02 119.26 118.71 1hgj h ALA 96 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hgj h ALA 96 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1hgj h ALA 96 CO -0.10 0.11 0.22 1.49 0.00 0.00 0.00 179.25 180.97 1hgj h GLU 97 N 0.66 0.46 -0.48 0.00 4.57 -0.92 -1.84 114.58 117.05 1hgj h GLU 97 Ca 0.18 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.21 1hgj h GLU 97 Cb -0.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1hgj h GLU 97 CO -0.03 0.33 -0.15 1.25 -1.18 0.00 0.00 179.01 179.23 1hgj h LEU 98 N 0.46 0.91 0.46 1.64 5.85 -0.99 -2.31 115.31 121.33 1hgj h LEU 98 Ca 0.13 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1hgj h LEU 98 Cb -0.03 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1hgj h LEU 98 CO -0.03 1.05 -0.22 0.25 -0.34 0.00 0.00 178.44 179.15 1hgj h LEU 99 N 0.80 -0.53 -1.19 2.25 5.85 -0.52 -0.92 115.31 121.05 1hgj h LEU 99 Ca 0.12 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1hgj h LEU 99 Cb 0.68 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1hgj h LEU 99 CO 0.05 -0.31 -0.13 -0.37 -0.34 0.00 0.00 178.44 177.34 1hgj h VAL 100 N -0.71 1.22 -0.10 1.05 -1.51 -1.35 -0.94 116.25 113.91 1hgj h VAL 100 Ca -0.06 -0.95 0.01 0.00 -1.23 0.00 0.00 66.70 64.47 1hgj h VAL 100 Cb 0.52 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1hgj h VAL 100 CO 0.10 0.31 0.01 0.00 -1.23 0.00 0.00 177.57 176.76 1hgj h ALA 101 N 1.49 0.09 0.22 5.19 0.00 -0.99 0.11 119.26 125.38 1hgj h ALA 101 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1hgj h ALA 101 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1hgj h ALA 101 CO 0.03 -0.45 -0.11 -0.07 0.00 0.00 0.00 179.25 178.65 1hgj h LEU 102 N 0.05 -0.25 -0.47 0.00 3.38 -0.79 -1.79 115.31 115.44 1hgj h LEU 102 Ca 0.05 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1hgj h LEU 102 Cb 0.05 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 1hgj h LEU 102 CO -0.07 -0.06 -0.21 -0.33 0.09 0.00 0.00 178.44 177.86 1hgj h GLU 103 N -0.43 -0.10 -0.53 1.13 4.39 -1.01 -0.74 114.58 117.29 1hgj h GLU 103 Ca -0.03 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1hgj h GLU 103 Cb 0.33 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1hgj h GLU 103 CO 0.05 -0.07 -0.10 -0.91 -1.16 0.00 0.00 179.01 176.82 1hgj h ASN 104 N -0.11 0.99 -0.32 1.42 2.35 -0.67 0.37 115.58 119.61 1hgj h ASN 104 Ca 0.22 -0.32 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1hgj h ASN 104 Cb 0.46 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1hgj h ASN 104 CO -0.54 1.09 0.16 -0.61 -1.65 0.00 0.00 177.43 175.88 1hgj h GLN 105 N 0.89 0.33 -0.57 0.81 5.75 -0.73 -1.81 115.11 119.78 1hgj h GLN 105 Ca 0.14 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 1hgj h GLN 105 Cb 0.65 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1hgj h GLN 105 CO 0.04 0.22 0.05 1.25 -2.65 0.00 0.00 178.83 177.74 1hgj h HIS 106 N 0.34 1.04 -0.91 3.99 2.76 -0.48 -2.34 115.15 119.55 1hgj h HIS 106 Ca 0.13 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1hgj h HIS 106 Cb 0.04 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.68 1hgj h HIS 106 CO -0.10 0.93 0.59 1.15 -1.30 0.00 0.00 177.93 179.20 1hgj h THR 107 N 0.86 1.24 -0.49 6.26 2.02 -0.46 0.13 112.91 122.47 1hgj h THR 107 Ca 0.17 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 1hgj h THR 107 Cb 0.48 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1hgj h THR 107 CO 0.02 0.24 -0.02 0.40 0.37 0.00 0.00 175.52 176.52 1hgj h ILE 108 N 1.24 1.26 -0.12 3.11 2.04 -1.02 -2.00 117.51 122.03 1hgj h ILE 108 Ca 0.33 -1.11 -0.17 0.00 1.00 0.00 0.00 64.86 64.91 1hgj h ILE 108 Cb -0.12 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1hgj h ILE 108 CO -0.07 0.39 -0.63 0.44 0.00 0.00 0.00 178.15 178.28 1hgj h ASP 109 N 0.74 0.51 -0.16 1.72 3.32 -0.88 -1.71 116.42 119.96 1hgj h ASP 109 Ca 0.14 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1hgj h ASP 109 Cb 0.55 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1hgj h ASP 109 CO 0.03 1.01 -0.07 0.25 -1.72 0.00 0.00 179.24 178.74 1hgj h LEU 110 N 0.32 -0.23 -1.05 1.55 6.46 -0.69 0.12 115.31 121.78 1hgj h LEU 110 Ca -0.01 0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 1hgj h LEU 110 Cb 1.18 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1hgj h LEU 110 CO 0.11 -0.09 -0.40 0.71 -0.62 0.00 0.00 178.44 178.14 1hgj h THR 111 N -0.05 1.30 -0.24 1.05 1.35 -1.26 -0.65 112.91 114.41 1hgj h THR 111 Ca 0.09 -1.46 -0.02 0.00 -0.55 0.00 0.00 66.41 64.46 1hgj h THR 111 Cb 0.18 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1hgj h THR 111 CO -0.19 0.43 0.07 -0.78 -0.25 0.00 0.00 175.52 174.79 1hgj h ASP 112 N 0.11 0.36 -0.01 5.36 3.58 -0.89 -2.07 116.42 122.87 1hgj h ASP 112 Ca 0.01 -0.22 0.03 0.00 0.42 0.00 0.00 57.03 57.27 1hgj h ASP 112 Cb 0.77 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.67 1hgj h ASP 112 CO 0.06 0.49 -0.40 -1.28 -2.88 0.00 0.00 179.24 175.23 1hgj h SER 113 N 0.22 -1.20 -0.91 2.28 0.87 -0.48 -1.31 113.55 113.03 1hgj h SER 113 Ca 0.08 0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.86 1hgj h SER 113 Cb 0.26 0.47 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1hgj h SER 113 CO -0.00 -0.44 0.59 -0.33 -0.53 0.00 0.00 176.83 176.12 1hgj h GLU 114 N -0.54 0.96 0.05 2.24 4.39 -0.90 0.30 114.58 121.07 1hgj h GLU 114 Ca 0.05 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1hgj h GLU 114 Cb 0.63 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1hgj h GLU 114 CO -0.31 0.64 -0.05 1.98 -1.16 0.00 0.00 179.01 180.11 1hgj h MET 115 N 0.99 -0.10 -0.35 2.33 4.05 -0.97 -1.02 114.93 119.86 1hgj h MET 115 Ca 0.40 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.75 1hgj h MET 115 Cb 0.28 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1hgj h MET 115 CO -0.16 -0.07 -0.11 -0.97 0.23 0.00 0.00 176.91 175.82 1hgj h ASN 116 N -0.11 0.58 -0.63 1.39 -1.24 -0.14 -1.61 115.58 113.83 1hgj h ASN 116 Ca 0.00 -0.16 -0.07 0.00 0.71 0.00 0.00 56.30 56.78 1hgj h ASN 116 Cb 0.11 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1hgj h ASN 116 CO -0.02 0.73 0.10 0.11 -1.29 0.00 0.00 177.43 177.07 1hgj h LYS 117 N 0.55 1.04 -0.72 6.67 1.57 -0.11 -0.65 116.57 124.92 1hgj h LYS 117 Ca 0.10 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1hgj h LYS 117 Cb 0.52 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1hgj h LYS 117 CO 0.03 0.97 0.44 1.25 -0.57 0.00 0.00 179.45 181.57 1hgj h LEU 118 N 0.95 0.85 0.51 2.94 5.85 -0.66 -0.89 115.31 124.86 1hgj h LEU 118 Ca 0.19 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1hgj h LEU 118 Cb 0.43 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1hgj h LEU 118 CO 0.01 0.65 -0.26 0.15 -0.34 0.00 0.00 178.44 178.66 1hgj h PHE 119 N 0.98 -0.68 -0.69 1.25 3.57 -0.80 -2.00 116.94 118.56 1hgj h PHE 119 Ca 0.26 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.83 1hgj h PHE 119 Cb -0.05 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1hgj h PHE 119 CO -0.01 -0.41 0.46 0.93 -2.23 0.00 0.00 178.31 177.04 1hgj h GLU 120 N -0.71 0.59 -0.08 1.11 4.39 -0.69 -0.41 114.58 118.79 1hgj h GLU 120 Ca -0.07 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1hgj h GLU 120 Cb 0.55 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1hgj h GLU 120 CO 0.10 0.39 0.00 -0.22 -1.16 0.00 0.00 179.01 178.13 1hgj h LYS 121 N 0.61 0.13 -0.82 2.33 3.64 -0.99 -1.57 116.57 119.90 1hgj h LYS 121 Ca 0.31 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1hgj h LYS 121 Cb 0.42 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1hgj h LYS 121 CO -0.11 0.39 0.39 1.15 -2.27 0.00 0.00 179.45 179.01 1hgj h THR 122 N -0.14 1.26 0.24 1.00 2.02 -0.50 -2.56 112.91 114.23 1hgj h THR 122 Ca 0.02 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1hgj h THR 122 Cb 0.33 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1hgj h THR 122 CO 0.00 0.31 -0.28 -0.09 0.37 0.00 0.00 175.52 175.83 1hgj h ARG 123 N 1.17 -0.55 -0.95 6.66 2.43 -0.96 -2.33 114.38 119.84 1hgj h ARG 123 Ca 0.28 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.69 1hgj h ARG 123 Cb 0.13 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 1hgj h ARG 123 CO -0.03 -0.37 0.61 0.00 -1.51 0.00 0.00 179.97 178.67 1hgj h ARG 124 N -0.57 0.52 -0.07 0.20 3.08 -1.12 -2.34 114.38 114.08 1hgj h ARG 124 Ca -0.00 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 1hgj h ARG 124 Cb 0.54 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1hgj h ARG 124 CO -0.08 0.34 -0.58 0.37 -1.07 0.00 0.00 179.97 178.95 1hgj h GLN 125 N 0.54 0.52 0.00 0.04 4.15 -1.07 -3.14 115.11 116.14 1hgj h GLN 125 Ca 0.52 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1hgj h GLN 125 Cb 1.10 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1hgj h GLN 125 CO -0.25 1.10 0.00 1.28 -1.93 0.00 0.00 178.83 179.02 1hgj n LEU 126 N -4.19 0.60 0.00 -2.39 4.77 -0.90 -4.57 117.00 110.32 1hgj n LEU 126 Ca -0.09 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1hgj n LEU 126 Cb 0.65 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1hgj n LEU 126 CO 0.47 -0.53 0.00 0.54 -1.33 0.00 0.00 177.39 176.54 1hgj n ARG 127 N -2.17 0.00 -0.11 3.23 5.12 -1.07 -1.51 116.66 120.16 1hgj n ARG 127 Ca 0.02 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1hgj n ARG 127 Cb 0.22 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.60 1hgj n ARG 127 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1hgj n GLU 128 N 14.00 1.47 0.00 5.56 4.07 -1.26 -3.97 120.64 140.51 1hgj n GLU 128 Ca 0.00 -0.62 0.11 0.00 -0.06 0.00 0.00 57.16 56.59 1hgj n GLU 128 Cb 0.00 -1.22 0.02 0.00 -0.06 0.00 0.00 31.44 30.18 1hgj n GLU 128 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1hgj n ASN 129 N 0.02 2.24 -4.02 4.31 3.02 -0.57 -4.68 115.26 115.58 1hgj n ASN 129 Ca 0.06 -1.62 -0.08 0.00 -0.03 0.00 0.00 54.58 52.91 1hgj n ASN 129 Cb 0.20 0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.62 1hgj n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hgj s ALA 130 N -2.27 0.27 0.11 5.41 0.00 -1.25 -1.32 121.76 122.71 1hgj s ALA 130 Ca 0.20 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.33 1hgj s ALA 130 Cb 0.18 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1hgj s ALA 130 CO 0.48 -0.34 -0.24 -1.21 0.00 0.00 0.00 175.76 174.45 1hgj s GLU 131 N -3.26 1.28 -0.24 0.00 2.02 -0.33 -4.94 118.70 113.23 1hgj s GLU 131 Ca 0.01 -1.23 -0.26 0.00 0.02 0.00 0.00 54.97 53.51 1hgj s GLU 131 Cb 0.03 -1.64 -0.00 0.00 0.10 0.00 0.00 34.13 32.62 1hgj s GLU 131 CO -0.08 0.39 0.88 -2.00 0.02 0.00 0.00 175.26 174.47 1hgj s GLU 132 N -1.91 4.19 0.00 1.61 2.12 -1.26 -0.51 118.70 122.93 1hgj s GLU 132 Ca 0.10 1.02 0.23 0.00 0.36 0.00 0.00 54.97 56.68 1hgj s GLU 132 Cb -0.10 -3.65 1.06 0.00 0.26 0.00 0.00 34.13 31.71 1hgj s GLU 132 CO 0.05 -0.56 1.74 -1.33 -0.54 0.00 0.00 175.26 174.62 1hgj n MET 133 N 6.10 0.17 -0.30 4.30 2.81 0.15 -4.90 117.12 125.46 1hgj n MET 133 Ca 0.07 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1hgj n MET 133 Cb 0.47 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1hgj n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hgj n GLY 134 N 0.74 1.29 0.89 3.03 0.00 -1.26 -4.86 105.19 105.03 1hgj n GLY 134 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1hgj n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hgj n ASN 135 N 0.00 2.74 0.00 1.61 6.94 -1.26 -4.88 115.26 120.41 1hgj n ASN 135 Ca 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 54.58 51.05 1hgj n ASN 135 Cb 0.00 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 1hgj n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hgj n GLY 136 N -1.01 0.74 3.55 4.83 0.00 -1.26 -4.59 105.19 107.45 1hgj n GLY 136 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1hgj n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgj s PHE 138 N -0.47 3.62 -0.43 0.00 0.08 -1.26 -0.67 117.98 118.85 1hgj s PHE 138 Ca 0.07 0.69 -0.19 0.00 0.12 0.00 0.00 56.93 57.62 1hgj s PHE 138 Cb -0.12 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1hgj s PHE 138 CO 0.02 0.63 0.54 0.21 -0.10 0.00 0.00 175.22 176.52 1hgj s LYS 139 N -1.49 3.18 -0.38 0.44 2.47 0.33 -4.91 119.74 119.38 1hgj s LYS 139 Ca 0.25 -0.57 -0.24 0.00 -1.56 0.00 0.00 55.97 53.85 1hgj s LYS 139 Cb -0.14 -3.96 0.01 0.00 -1.46 0.00 0.00 37.83 32.29 1hgj s LYS 139 CO 0.13 -0.93 0.82 0.42 0.16 0.00 0.00 175.35 175.95 1hgj s ILE 140 N 2.47 4.67 -0.11 5.43 1.01 -1.26 -1.18 121.20 132.23 1hgj s ILE 140 Ca 0.17 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 1hgj s ILE 140 Cb -0.16 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 1hgj s ILE 140 CO 0.16 -0.52 2.90 -1.22 0.00 0.00 0.00 174.94 176.26 1hgj n TYR 141 N 6.58 0.44 -3.51 3.97 4.02 -0.43 -4.82 117.16 123.41 1hgj n TYR 141 Ca 0.04 -1.50 -0.11 0.00 -0.01 0.00 0.00 57.90 56.32 1hgj n TYR 141 Cb 0.48 -1.21 -0.03 0.00 -0.02 0.00 0.00 39.34 38.56 1hgj n TYR 141 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 1hgj s HIS 142 N -0.02 -0.42 -0.05 -0.72 -3.43 -1.26 -3.64 115.29 105.75 1hgj s HIS 142 Ca 0.45 0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 54.58 1hgj s HIS 142 Cb 0.24 0.48 -0.06 0.00 -1.43 0.00 0.00 32.58 31.81 1hgj s HIS 142 CO -0.04 -0.83 1.72 0.21 -2.00 0.00 0.00 174.74 173.80 1hgj s LYS 143 N -3.78 4.14 -0.34 -0.38 2.20 -1.26 -4.95 119.74 115.37 1hgj s LYS 143 Ca 0.02 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1hgj s LYS 143 Cb -0.00 -4.03 0.11 0.00 -1.51 0.00 0.00 37.83 32.40 1hgj s LYS 143 CO -0.12 -0.90 0.13 0.00 -0.36 0.00 0.00 175.35 174.10 1hgj n ASP 145 N 4.49 -1.52 0.25 0.00 5.68 -1.26 -4.63 116.55 119.57 1hgj n ASP 145 Ca 0.01 -1.12 0.11 0.00 -0.50 0.00 0.00 54.79 53.29 1hgj n ASP 145 Cb 0.40 -0.84 0.68 0.00 -1.14 0.00 0.00 41.12 40.22 1hgj n ASP 145 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1hgj h ASN 146 N -2.24 0.00 0.61 -1.12 2.35 -1.98 0.01 115.58 113.20 1hgj h ASN 146 Ca -0.35 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.21 1hgj h ASN 146 Cb 1.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1hgj h ASN 146 CO 0.23 0.14 -0.88 0.00 -1.65 0.00 0.00 177.43 175.27 1hgj h ALA 147 N 1.86 0.52 -0.06 -0.83 0.00 -1.98 -0.18 119.26 118.59 1hgj h ALA 147 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1hgj h ALA 147 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1hgj h ALA 147 CO 0.02 0.93 0.02 0.00 0.00 0.00 0.00 179.25 180.22 1hgj h ILE 149 N -0.07 1.11 -0.84 0.00 1.08 -0.87 -1.07 117.51 116.85 1hgj h ILE 149 Ca 0.02 -0.39 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1hgj h ILE 149 Cb 0.18 -0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.75 1hgj h ILE 149 CO -0.00 0.21 0.40 -0.08 -0.69 0.00 0.00 178.15 177.99 1hgj h GLU 150 N 1.15 1.21 -0.15 2.37 4.22 -0.74 -2.14 114.58 120.50 1hgj h GLU 150 Ca 0.40 -0.18 -0.08 0.00 0.08 0.00 0.00 59.36 59.58 1hgj h GLU 150 Cb 0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1hgj h GLU 150 CO -0.15 0.93 -0.26 0.66 -2.18 0.00 0.00 179.01 178.01 1hgj h SER 151 N 1.19 0.27 -0.14 1.04 4.64 0.23 0.18 113.55 120.96 1hgj h SER 151 Ca 0.29 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1hgj h SER 151 Cb 0.13 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1hgj h SER 151 CO -0.04 0.54 0.04 0.40 -0.87 0.00 0.00 176.83 176.90 1hgj h ILE 152 N 0.25 1.20 0.10 0.95 2.04 -0.95 0.31 117.51 121.41 1hgj h ILE 152 Ca 0.04 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1hgj h ILE 152 Cb 0.60 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1hgj h ILE 152 CO 0.04 0.19 -0.05 0.03 0.00 0.00 0.00 178.15 178.36 1hgj h ARG 153 N 0.04 -0.13 -0.02 2.37 3.08 -0.89 -2.41 114.38 116.41 1hgj h ARG 153 Ca 0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1hgj h ARG 153 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1hgj h ARG 153 CO 0.00 0.03 0.00 0.27 -1.07 0.00 0.00 179.97 179.20 1hgj n ASN 154 N -5.09 0.18 -0.18 7.04 0.23 0.59 -4.89 115.26 113.15 1hgj n ASN 154 Ca -0.08 -1.66 -0.02 0.00 -0.53 0.00 0.00 54.58 52.29 1hgj n ASN 154 Cb 0.14 -0.02 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 1hgj n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hgj n GLY 155 N 0.72 0.45 0.59 4.83 0.00 -0.45 -4.93 105.19 106.41 1hgj n GLY 155 Ca 0.09 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.24 1hgj n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hgj n THR 156 N -3.30 1.32 -1.94 2.61 -2.24 0.96 -5.01 114.28 106.68 1hgj n THR 156 Ca -0.02 -1.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.10 1hgj n THR 156 Cb 0.22 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1hgj n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1hgj s TYR 157 N -1.47 3.06 -0.39 4.78 6.14 -0.80 -4.92 117.35 123.75 1hgj s TYR 157 Ca 0.25 0.65 -0.14 0.00 0.64 0.00 0.00 57.07 58.47 1hgj s TYR 157 Cb 0.16 -3.92 0.02 0.00 0.42 0.00 0.00 41.96 38.64 1hgj s TYR 157 CO 0.12 -3.36 0.27 0.34 0.64 0.00 0.00 175.55 173.55 1hgj s ASP 158 N 1.10 6.00 0.30 4.32 -1.08 -1.26 -4.95 116.67 121.09 1hgj s ASP 158 Ca 0.69 -0.87 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 1hgj s ASP 158 Cb -0.44 -2.12 0.47 0.00 -1.46 0.00 0.00 42.92 39.38 1hgj s ASP 158 CO 0.32 -0.41 1.75 1.12 0.52 0.00 0.00 175.17 178.47 1hgj h HIS 159 N 8.56 0.45 -0.91 -5.34 2.07 -1.92 -2.97 115.15 115.10 1hgj h HIS 159 Ca -0.27 -0.09 0.01 0.00 -2.85 0.00 0.00 60.37 57.16 1hgj h HIS 159 Cb 1.12 -0.11 -0.04 0.00 2.57 0.00 0.00 27.41 30.94 1hgj h HIS 159 CO 0.57 0.63 0.60 -0.44 -3.07 0.00 0.00 177.93 176.21 1hgj h ASP 160 N 0.36 1.05 -0.94 3.10 3.32 -1.96 -0.79 116.42 120.55 1hgj h ASP 160 Ca 0.05 -0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.31 1hgj h ASP 160 Cb 0.65 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1hgj h ASP 160 CO 0.05 0.76 0.64 0.58 -1.72 0.00 0.00 179.24 179.55 1hgj h VAL 161 N 1.23 0.59 -0.05 -1.35 2.07 -1.95 -1.73 116.25 115.06 1hgj h VAL 161 Ca 0.33 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1hgj h VAL 161 Cb -0.13 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1hgj h VAL 161 CO -0.07 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 176.34 1hgj n TYR 162 N -4.43 0.06 -0.01 1.57 4.02 -0.41 -4.82 117.16 113.13 1hgj n TYR 162 Ca 0.20 -0.32 -0.10 0.00 -0.01 0.00 0.00 57.90 57.67 1hgj n TYR 162 Cb 0.85 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 40.10 1hgj n TYR 162 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1hgj h ARG 163 N 0.44 0.04 -0.43 -0.72 2.43 -0.30 -0.17 114.38 115.67 1hgj h ARG 163 Ca 0.00 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1hgj h ARG 163 Cb 0.39 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1hgj h ARG 163 CO 0.00 0.02 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.91 1hgj h ASP 164 N 0.04 0.78 0.19 -3.80 3.32 -1.88 0.21 116.42 115.28 1hgj h ASP 164 Ca 0.06 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1hgj h ASP 164 Cb 0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1hgj h ASP 164 CO -0.10 0.93 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.18 1hgj h GLU 165 N 0.71 -0.24 -0.16 3.56 4.81 -1.81 -1.35 114.58 120.09 1hgj h GLU 165 Ca 0.11 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1hgj h GLU 165 Cb 0.63 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1hgj h GLU 165 CO 0.04 -0.15 0.05 0.00 -0.73 0.00 0.00 179.01 178.23 1hgj h ALA 166 N 0.54 0.21 -0.42 2.92 0.00 -0.76 -2.15 119.26 119.60 1hgj h ALA 166 Ca -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1hgj h ALA 166 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1hgj h ALA 166 CO 0.04 -0.17 0.14 -0.07 0.00 0.00 0.00 179.25 179.19 1hgj h LEU 167 N 0.08 0.55 0.45 0.00 3.38 -0.52 0.36 115.31 119.61 1hgj h LEU 167 Ca 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1hgj h LEU 167 Cb 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1hgj h LEU 167 CO -0.00 0.53 -0.21 -1.13 0.09 0.00 0.00 178.44 177.71 1hgj h ASN 168 N 0.60 -0.51 -0.91 -0.43 -0.73 -1.05 -0.92 115.58 111.64 1hgj h ASN 168 Ca 0.14 -0.05 0.09 0.00 1.87 0.00 0.00 56.30 58.36 1hgj h ASN 168 Cb 0.17 0.13 -0.07 0.00 0.27 0.00 0.00 38.32 38.82 1hgj h ASN 168 CO -0.01 -0.27 0.59 0.78 -0.37 0.00 0.00 177.43 178.15 1hgj h ASN 169 N -0.73 0.85 0.20 1.15 2.35 -0.85 -2.65 115.58 115.90 1hgj h ASN 169 Ca -0.06 0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.38 1hgj h ASN 169 Cb 0.52 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.76 1hgj h ASN 169 CO 0.10 0.51 -1.60 -0.09 -1.65 0.00 0.00 177.43 174.70 1hgj h ARG 170 N 0.94 0.42 0.00 0.81 2.43 -0.86 -3.43 114.38 114.69 1hgj h ARG 170 Ca 0.42 -0.72 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1hgj h ARG 170 Cb 0.36 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1hgj h ARG 170 CO -0.18 1.35 0.00 1.19 -1.51 0.00 0.00 179.97 180.82 1hgj n PHE 171 N -3.69 0.00 0.00 2.20 3.72 -0.36 -4.86 117.46 114.47 1hgj n PHE 171 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1hgj n PHE 171 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 1hgj n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hgj n GLN 172 N -1.88 0.00 0.00 -1.08 6.02 -1.01 -4.49 117.38 114.95 1hgj n GLN 172 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1hgj n GLN 172 Cb 0.00 -0.38 0.00 0.00 1.02 0.00 0.00 30.24 30.88 1hgj n GLN 172 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1hgj n ILE 173 N -1.98 0.00 -1.76 5.09 2.08 -1.25 -2.87 119.36 118.66 1hgj n ILE 173 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 1hgj n ILE 173 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 1hgj n ILE 173 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1hgj n LYS 174 N 0.00 0.00 0.00 0.38 2.85 -1.26 -5.20 118.16 114.93 1hgj n LYS 174 Ca 0.00 -0.38 0.00 0.00 -1.05 0.00 0.00 58.31 56.88 1hgj n LYS 174 Cb 0.00 0.29 0.00 0.00 -0.65 0.00 0.00 35.03 34.67 1hgj n LYS 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76