#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 -2.81 115.31 114.97 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 0.24 -1.81 0.49 0.09 0.00 0.00 178.44 177.45 1hgj n PHE 3 N -3.67 0.01 -1.90 1.13 3.01 -1.26 -4.98 117.46 109.79 1hgj n PHE 3 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.34 1hgj n PHE 3 Cb 0.36 -0.41 -0.02 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 1.30 0.38 0.01 1.37 0.00 -1.06 -4.93 105.19 102.26 1hgj n GLY 4 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 0.34 0.00 -2.69 4.61 0.00 -1.88 0.17 119.26 119.81 1hgj h ALA 5 Ca -0.25 -0.21 -0.52 0.00 0.00 0.00 0.00 54.91 53.93 1hgj h ALA 5 Cb 1.03 0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.92 1hgj h ALA 5 CO 0.32 0.06 0.68 0.42 0.00 0.00 0.00 179.25 180.73 1hgj s ILE 6 N -1.19 3.09 -1.25 0.00 1.01 -1.26 -0.90 121.20 120.71 1hgj s ILE 6 Ca -0.02 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1hgj s ILE 6 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1hgj s ILE 6 CO 0.03 0.14 0.00 0.00 0.00 0.00 0.00 174.94 175.10 1hgj n ALA 7 N 2.58 -0.74 -2.15 9.38 0.00 -1.22 -3.84 120.51 124.52 1hgj n ALA 7 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1hgj n ALA 7 Cb 0.42 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.86 3.71 0.24 0.00 0.00 -0.07 -4.86 105.19 103.34 1hgj n GLY 8 Ca -0.17 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.29 1.61 -5.15 -0.24 -3.32 116.94 106.55 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 -0.02 0.42 -2.00 0.00 0.00 178.31 176.71 1hgj s ILE 10 N -3.63 4.94 0.23 0.88 1.01 -0.66 -4.08 121.20 119.88 1hgj s ILE 10 Ca 0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1hgj s ILE 10 Cb 0.09 -4.26 0.29 0.00 0.01 0.00 0.00 42.46 38.59 1hgj s ILE 10 CO 0.46 -0.74 1.62 -0.33 0.00 0.00 0.00 174.94 175.95 1hgj h GLU 11 N 8.94 0.04 -2.77 2.79 5.08 -1.83 -3.22 114.58 123.59 1hgj h GLU 11 Ca -0.27 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1hgj h GLU 11 Cb 1.10 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 1hgj h GLU 11 CO 0.94 0.02 0.31 0.54 -1.00 0.00 0.00 179.01 179.83 1hgj s ASN 12 N -5.22 -0.28 0.78 1.42 4.22 -1.26 -4.72 114.94 109.89 1hgj s ASN 12 Ca -0.14 -0.45 -0.10 0.00 -2.14 0.00 0.00 52.86 50.03 1hgj s ASN 12 Cb 0.22 0.63 0.09 0.00 1.28 0.00 0.00 41.25 43.46 1hgj s ASN 12 CO 0.75 -1.14 1.12 -0.83 -2.04 0.00 0.00 177.10 174.96 1hgj s GLY 13 N -2.89 1.66 -0.35 0.45 0.00 -1.26 -5.01 107.32 99.92 1hgj s GLY 13 Ca 0.10 -0.88 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 1hgj s GLY 13 CO 0.03 -0.39 0.16 -0.98 0.00 0.00 0.00 173.10 171.92 1hgj s TRP 14 N -3.46 3.23 0.31 1.90 0.51 -1.26 -4.94 118.94 115.24 1hgj s TRP 14 Ca 0.63 -1.06 0.31 0.00 -2.12 0.00 0.00 56.10 53.86 1hgj s TRP 14 Cb -0.10 -2.37 1.48 0.00 -0.81 0.00 0.00 33.47 31.67 1hgj s TRP 14 CO 0.47 -0.65 2.05 0.93 -0.51 0.00 0.00 176.95 179.24 1hgj h GLU 15 N 8.35 0.00 0.00 4.98 5.08 -2.04 -2.80 114.58 128.16 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 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1hgj h GLU 15 CO 0.64 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 1hgj n GLY 16 N -0.38 -1.38 3.57 -3.84 0.00 -1.26 -4.67 105.19 97.22 1hgj n GLY 16 Ca -0.01 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.09 3.55 0.00 1.61 -2.45 -1.06 -4.80 119.30 113.06 1hgj s MET 17 Ca 0.09 0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.82 1hgj s MET 17 Cb 0.13 -3.93 -0.09 0.00 1.25 0.00 0.00 34.83 32.20 1hgj s MET 17 CO 0.45 -1.24 0.37 0.44 1.05 0.00 0.00 175.02 176.08 1hgj n ILE 18 N 6.47 0.00 0.19 10.11 -5.35 -1.26 -4.55 119.36 124.97 1hgj n ILE 18 Ca 0.07 -0.31 0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1hgj n ILE 18 Cb 0.49 1.01 0.25 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 -1.14 3.49 0.00 7.28 5.75 -1.26 -5.00 116.55 125.66 1hgj n ASP 19 Ca 0.02 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1hgj n ASP 19 Cb 0.13 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 1.53 0.06 0.08 6.12 0.00 -1.26 -4.81 105.19 106.91 1hgj n GLY 20 Ca 0.21 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.30 0.83 -4.21 1.61 7.02 -1.26 -4.92 117.44 116.21 1hgj n TRP 21 Ca 0.00 0.30 -0.17 0.00 -1.02 0.00 0.00 57.50 56.60 1hgj n TRP 21 Cb 0.00 -1.13 -0.11 0.00 -2.42 0.00 0.00 31.31 27.65 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 -2.65 1.29 -0.22 -5.99 2.02 -1.26 -5.03 117.35 105.51 1hgj s TYR 22 Ca -0.05 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 1hgj s TYR 22 Cb 0.08 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 1hgj s TYR 22 CO 0.82 0.09 0.00 0.41 -1.57 0.00 0.00 175.55 175.31 1hgj n GLY 23 N 0.72 -1.22 3.41 0.71 0.00 -1.26 0.34 105.19 107.89 1hgj n GLY 23 Ca -0.17 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.72 2.39 -0.01 1.61 0.40 0.28 -4.88 117.98 115.04 1hgj s PHE 24 Ca 0.00 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 1hgj s PHE 24 Cb 0.00 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 1hgj s PHE 24 CO 0.00 0.27 -0.17 1.03 0.70 0.00 0.00 175.22 177.05 1hgj s ARG 25 N -1.75 1.39 0.19 0.44 0.52 -1.26 -0.23 118.95 118.26 1hgj s ARG 25 Ca 0.14 -0.62 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1hgj s ARG 25 Cb -0.10 -1.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 1hgj s ARG 25 CO 0.06 0.37 -0.06 -3.38 0.02 0.00 0.00 175.30 172.30 1hgj s HIS 26 N -0.41 1.46 -0.05 -0.53 -3.43 0.14 -4.96 115.29 107.50 1hgj s HIS 26 Ca 0.07 -0.81 -0.02 0.00 -0.80 0.00 0.00 55.06 53.49 1hgj s HIS 26 Cb -0.07 -0.79 0.03 0.00 -1.43 0.00 0.00 32.58 30.33 1hgj s HIS 26 CO -0.01 0.06 0.08 -1.14 -2.00 0.00 0.00 174.74 171.74 1hgj s GLN 27 N -3.79 -0.05 0.00 -0.38 0.74 -1.26 -1.07 119.66 113.85 1hgj s GLN 27 Ca 0.23 0.39 0.00 0.00 0.05 0.00 0.00 55.36 56.03 1hgj s GLN 27 Cb 0.04 -0.53 0.00 0.00 1.10 0.00 0.00 33.01 33.62 1hgj s GLN 27 CO 0.05 -0.34 0.00 0.27 -0.55 0.00 0.00 175.29 174.72 1hgj n ASN 28 N 5.30 0.00 -0.21 6.67 6.94 0.11 -4.97 115.26 129.10 1hgj n ASN 28 Ca -0.03 -0.73 -0.05 0.00 -0.02 0.00 0.00 54.58 53.75 1hgj n ASN 28 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1hgj n ASN 28 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1hgj h SER 29 N 0.00 -1.19 0.03 0.53 0.02 -1.95 -1.01 113.55 109.97 1hgj h SER 29 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1hgj h SER 29 Cb 0.00 0.59 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1hgj h SER 29 CO 0.00 -0.31 -0.01 -0.62 -1.14 0.00 0.00 176.83 174.76 1hgj n GLU 30 N -5.43 1.17 0.00 3.45 1.02 -1.26 -5.03 120.64 114.55 1hgj n GLU 30 Ca 0.04 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1hgj n GLU 30 Cb 0.36 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1hgj n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hgj n GLY 31 N 1.08 0.57 3.55 0.62 0.00 -0.39 -5.08 105.19 105.54 1hgj n GLY 31 Ca 0.22 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1hgj n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hgj s THR 32 N -1.18 3.31 0.20 2.61 2.01 -1.26 0.05 115.64 121.38 1hgj s THR 32 Ca 0.00 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 1hgj s THR 32 Cb 0.00 -2.45 0.04 0.00 0.01 0.00 0.00 72.50 70.10 1hgj s THR 32 CO 0.00 0.32 0.57 -0.83 -0.69 0.00 0.00 174.62 173.99 1hgj s GLY 33 N -1.57 -0.22 0.07 4.40 0.00 -0.23 -4.96 107.32 104.80 1hgj s GLY 33 Ca 0.17 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.87 1hgj s GLY 33 CO 0.08 -0.14 -0.13 1.62 0.00 0.00 0.00 173.10 174.53 1hgj s GLN 34 N -3.85 0.79 -0.24 2.90 0.74 -1.26 0.27 119.66 119.01 1hgj s GLN 34 Ca 0.07 -0.93 -0.13 0.00 0.05 0.00 0.00 55.36 54.42 1hgj s GLN 34 Cb -0.02 -0.77 0.07 0.00 1.10 0.00 0.00 33.01 33.39 1hgj s GLN 34 CO -0.04 0.17 0.58 0.00 -0.55 0.00 0.00 175.29 175.45 1hgj s ALA 35 N -1.27 -1.55 0.58 1.58 0.00 0.68 -4.95 121.76 116.82 1hgj s ALA 35 Ca -0.03 2.06 -0.17 0.00 0.00 0.00 0.00 51.96 53.83 1hgj s ALA 35 Cb -0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1hgj s ALA 35 CO 0.02 -0.33 1.07 0.00 0.00 0.00 0.00 175.76 176.52 1hgj s ALA 36 N 1.52 2.71 -0.28 0.00 0.00 -1.26 -0.56 121.76 123.88 1hgj s ALA 36 Ca -0.10 0.52 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 1hgj s ALA 36 Cb -0.06 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1hgj s ALA 36 CO -0.17 -0.79 0.16 0.34 0.00 0.00 0.00 175.76 175.30 1hgj s ASP 37 N -2.45 5.75 0.24 0.00 2.15 0.15 -4.82 116.67 117.68 1hgj s ASP 37 Ca 0.66 -0.18 0.21 0.00 0.43 0.00 0.00 52.55 53.68 1hgj s ASP 37 Cb -0.18 -2.06 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 1hgj s ASP 37 CO 0.33 -0.09 1.16 -0.07 -0.17 0.00 0.00 175.17 176.33 1hgj h LEU 38 N 8.35 0.00 -0.13 -1.34 3.38 -1.94 -3.07 115.31 120.56 1hgj h LEU 38 Ca -0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 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 0.58 0.13 -0.39 0.11 0.09 0.00 0.00 178.44 178.96 1hgj h LYS 39 N 0.00 0.50 -0.08 1.13 1.57 -1.96 -1.02 116.57 116.70 1hgj h LYS 39 Ca -0.03 -0.36 -0.17 0.00 -1.87 0.00 0.00 60.65 58.23 1hgj h LYS 39 Cb 1.13 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1hgj h LYS 39 CO 0.01 0.98 -0.68 0.66 -0.57 0.00 0.00 179.45 179.85 1hgj h SER 40 N 0.11 0.41 -0.76 0.86 4.64 -1.95 -1.17 113.55 115.69 1hgj h SER 40 Ca -0.01 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1hgj h SER 40 Cb 1.01 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.94 1hgj h SER 40 CO 0.08 0.97 0.50 0.74 -0.87 0.00 0.00 176.83 178.25 1hgj h THR 41 N 0.24 1.17 -0.42 2.95 2.02 -1.49 -1.00 112.91 116.39 1hgj h THR 41 Ca -0.02 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.68 1hgj h THR 41 Cb 1.23 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1hgj h THR 41 CO 0.11 0.18 -0.28 -0.61 0.37 0.00 0.00 175.52 175.29 1hgj h GLN 42 N 1.00 0.91 -0.16 6.66 5.75 -0.88 -0.13 115.11 128.26 1hgj h GLN 42 Ca 0.29 -0.42 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1hgj h GLN 42 Cb -0.08 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1hgj h GLN 42 CO -0.08 1.07 0.05 0.00 -2.65 0.00 0.00 178.83 177.22 1hgj h ALA 43 N 0.90 0.17 -0.04 3.38 0.00 -0.83 0.19 119.26 123.03 1hgj h ALA 43 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hgj h ALA 43 Cb 0.85 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hgj h ALA 43 CO 0.07 -0.39 0.02 0.00 0.00 0.00 0.00 179.25 178.96 1hgj h ALA 44 N 1.10 0.05 -0.36 0.00 0.00 -1.08 -2.65 119.26 116.31 1hgj h ALA 44 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1hgj h ALA 44 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1hgj h ALA 44 CO -0.07 -0.41 0.22 0.82 0.00 0.00 0.00 179.25 179.80 1hgj h ILE 45 N -0.02 1.11 -0.53 0.00 2.04 -0.52 -2.17 117.51 117.43 1hgj h ILE 45 Ca 0.01 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1hgj h ILE 45 Cb 0.07 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1hgj h ILE 45 CO -0.00 0.11 0.34 0.44 0.00 0.00 0.00 178.15 179.04 1hgj h ASP 46 N 0.47 0.57 -0.35 1.72 3.32 -0.63 0.15 116.42 121.67 1hgj h ASP 46 Ca 0.13 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1hgj h ASP 46 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1hgj h ASP 46 CO -0.02 0.40 0.20 1.56 -1.72 0.00 0.00 179.24 179.66 1hgj h GLN 47 N 0.68 0.48 -0.30 3.56 4.20 -1.24 0.70 115.11 123.19 1hgj h GLN 47 Ca 0.20 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1hgj h GLN 47 Cb -0.03 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1hgj h GLN 47 CO -0.07 0.37 -0.05 0.82 -0.67 0.00 0.00 178.83 179.24 1hgj h ILE 48 N 0.45 1.20 -0.04 2.54 2.04 -0.97 -1.29 117.51 121.43 1hgj h ILE 48 Ca 0.12 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 65.03 1hgj h ILE 48 Cb 0.03 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1hgj h ILE 48 CO -0.02 0.28 -0.54 0.78 0.00 0.00 0.00 178.15 178.65 1hgj h ASN 49 N 0.45 0.11 -0.31 1.72 -0.26 -0.30 -0.04 115.58 116.95 1hgj h ASN 49 Ca 0.09 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 1hgj h ASN 49 Cb 0.37 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1hgj h ASN 49 CO 0.02 0.63 0.09 1.23 -1.06 0.00 0.00 177.43 178.34 1hgj h GLY 50 N 1.53 0.53 0.97 2.83 0.00 -0.02 -0.07 103.07 108.84 1hgj h GLY 50 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1hgj h GLY 50 CO 0.08 0.30 0.18 1.70 0.00 0.00 0.00 176.54 178.79 1hgj h LYS 51 N 0.35 0.42 -0.45 4.80 3.64 -1.17 -2.71 116.57 121.46 1hgj h LYS 51 Ca 0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1hgj h LYS 51 Cb 0.26 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1hgj h LYS 51 CO -0.00 0.33 0.27 1.25 -2.27 0.00 0.00 179.45 179.02 1hgj h LEU 52 N 0.39 0.54 -1.25 5.20 5.85 -0.50 -2.39 115.31 123.15 1hgj h LEU 52 Ca 0.11 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1hgj h LEU 52 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1hgj h LEU 52 CO -0.02 0.44 -0.36 0.78 -0.34 0.00 0.00 178.44 178.94 1hgj h ASN 53 N 0.59 0.00 -0.39 1.25 2.35 -0.86 -1.85 115.58 116.67 1hgj h ASN 53 Ca 0.16 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 1hgj h ASN 53 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1hgj h ASN 53 CO -0.03 0.36 -0.30 -0.09 -1.65 0.00 0.00 177.43 175.72 1hgj h ARG 54 N 0.00 0.90 -0.04 0.81 9.65 -1.12 -1.44 114.38 123.13 1hgj h ARG 54 Ca -0.00 -0.44 -0.10 0.00 -1.10 0.00 0.00 59.98 58.34 1hgj h ARG 54 Cb 0.69 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1hgj h ARG 54 CO 0.05 1.09 -0.45 0.28 2.80 0.00 0.00 179.97 183.73 1hgj h VAL 55 N 0.71 1.33 -0.12 0.20 2.07 -1.01 -2.53 116.25 116.90 1hgj h VAL 55 Ca 0.07 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1hgj h VAL 55 Cb 0.88 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1hgj h VAL 55 CO 0.08 0.46 0.00 -0.38 0.02 0.00 0.00 177.57 177.75 1hgj n ILE 56 N -3.99 0.13 -1.78 4.57 5.41 -0.85 -4.91 119.36 117.94 1hgj n ILE 56 Ca -0.02 -0.40 -0.42 0.00 1.00 0.00 0.00 62.75 62.91 1hgj n ILE 56 Cb 0.49 0.72 -0.03 0.00 -0.71 0.00 0.00 39.64 40.12 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 -1.87 4.15 0.00 0.38 2.12 -0.57 -4.60 118.70 118.32 1hgj s GLU 57 Ca 0.34 2.52 0.00 0.00 0.36 0.00 0.00 54.97 58.20 1hgj s GLU 57 Cb 0.20 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1hgj s GLU 57 CO 0.30 -0.80 0.00 1.17 -0.54 0.00 0.00 175.26 175.40 1hgj n LYS 58 N 5.39 -0.24 -2.44 4.30 3.00 -1.26 -4.95 118.16 121.96 1hgj n LYS 58 Ca 0.17 0.23 -0.42 0.00 -0.00 0.00 0.00 58.31 58.28 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 4.21 0.55 3.15 -4.23 -1.26 -5.02 115.64 113.04 1hgj s THR 59 Ca 0.00 1.54 -0.13 0.00 -1.18 0.00 0.00 61.69 61.92 1hgj s THR 59 Cb 0.00 -3.99 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 1hgj s THR 59 CO 0.00 0.01 0.97 0.54 -0.54 0.00 0.00 174.62 175.60 1hgj s ASN 60 N 1.48 6.43 0.03 3.99 4.22 -1.26 -5.05 114.94 124.77 1hgj s ASN 60 Ca 0.57 1.43 0.04 0.00 -2.14 0.00 0.00 52.86 52.76 1hgj s ASN 60 Cb -0.25 -2.46 -0.03 0.00 1.28 0.00 0.00 41.25 39.78 1hgj s ASN 60 CO 0.23 -0.69 -0.08 -1.83 -2.04 0.00 0.00 177.10 172.69 1hgj s GLU 61 N -4.55 2.44 -0.00 3.55 -1.05 -1.26 -5.11 118.70 112.71 1hgj s GLU 61 Ca 0.56 -0.80 0.02 0.00 -0.15 0.00 0.00 54.97 54.60 1hgj s GLU 61 Cb -0.10 -2.44 -0.01 0.00 -0.44 0.00 0.00 34.13 31.14 1hgj s GLU 61 CO 0.42 0.58 -0.06 0.15 0.95 0.00 0.00 175.26 177.29 1hgj s LYS 62 N -1.59 0.48 0.00 -4.83 -0.14 -1.26 -5.13 119.74 107.28 1hgj s LYS 62 Ca 0.18 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 1hgj s LYS 62 Cb -0.11 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.58 1hgj s LYS 62 CO 0.09 0.13 0.00 1.19 -0.76 0.00 0.00 175.35 175.99 1hgj n PHE 63 N 2.90 0.00 -2.08 3.18 3.72 -1.26 -5.01 117.46 118.91 1hgj n PHE 63 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 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 2.15 3.06 0.00 1.38 2.46 -1.26 -4.96 115.29 118.11 1hgj s HIS 64 Ca 0.00 0.77 0.00 0.00 0.47 0.00 0.00 55.06 56.30 1hgj s HIS 64 Cb 0.00 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.66 1hgj s HIS 64 CO 0.00 -2.87 0.00 1.04 -2.47 0.00 0.00 174.74 170.44 1hgj n GLN 65 N 4.27 0.24 -4.51 2.88 6.02 -1.26 -5.16 117.38 119.86 1hgj n GLN 65 Ca 0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.87 1hgj n GLN 65 Cb 0.41 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.57 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 3.87 2.28 0.33 5.09 -4.36 -1.26 -5.11 121.20 122.03 1hgj s ILE 66 Ca 0.00 -2.26 -0.28 0.00 -0.26 0.00 0.00 60.65 57.85 1hgj s ILE 66 Cb 0.00 -2.52 -0.09 0.00 1.25 0.00 0.00 42.46 41.10 1hgj s ILE 66 CO 0.00 -0.27 1.13 -1.61 0.24 0.00 0.00 174.94 174.43 1hgj s GLU 67 N -3.59 4.41 0.00 0.37 0.41 -1.26 -4.95 118.70 114.10 1hgj s GLU 67 Ca 0.31 1.82 0.00 0.00 -0.41 0.00 0.00 54.97 56.70 1hgj s GLU 67 Cb 0.00 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.38 1hgj s GLU 67 CO 0.16 -0.00 0.75 1.63 -0.49 0.00 0.00 175.26 177.31 1hgj n LYS 68 N 0.72 1.46 -3.77 1.61 5.02 -1.26 -4.87 118.16 117.07 1hgj n LYS 68 Ca 0.01 -1.04 -0.13 0.00 -2.02 0.00 0.00 58.31 55.14 1hgj n LYS 68 Cb 0.45 -0.90 -0.12 0.00 -0.02 0.00 0.00 35.03 34.44 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 -0.57 0.23 0.03 1.97 2.02 -1.26 -5.07 118.70 116.05 1hgj s GLU 69 Ca 0.00 0.39 0.04 0.00 0.02 0.00 0.00 54.97 55.42 1hgj s GLU 69 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.23 1hgj s GLU 69 CO 0.00 -0.08 -0.12 -0.06 0.02 0.00 0.00 175.26 175.01 1hgj s PHE 70 N 0.58 1.09 -0.40 1.61 0.08 -1.26 -5.06 117.98 114.61 1hgj s PHE 70 Ca -0.04 -0.32 0.15 0.00 0.12 0.00 0.00 56.93 56.84 1hgj s PHE 70 Cb -0.05 -0.66 -0.20 0.00 -0.57 0.00 0.00 43.02 41.54 1hgj s PHE 70 CO -0.03 0.01 0.50 -1.13 -0.10 0.00 0.00 175.22 174.47 1hgj n SER 71 N 2.10 1.05 -4.66 1.36 3.41 -1.26 -5.00 113.62 110.62 1hgj n SER 71 Ca -0.17 -0.47 -0.25 0.00 -0.26 0.00 0.00 58.87 57.72 1hgj n SER 71 Cb 0.55 1.32 -0.08 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.71 2.13 -0.22 4.33 0.41 -1.26 -5.11 118.70 116.28 1hgj s GLU 72 Ca 0.01 -1.78 -0.14 0.00 -0.41 0.00 0.00 54.97 52.65 1hgj s GLU 72 Cb 0.11 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.47 1hgj s GLU 72 CO 0.63 0.06 0.30 0.08 -0.49 0.00 0.00 175.26 175.83 1hgj s VAL 73 N -2.54 5.27 0.00 2.63 1.01 -1.26 -4.96 120.40 120.54 1hgj s VAL 73 Ca 0.36 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1hgj s VAL 73 Cb 0.01 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1hgj s VAL 73 CO 0.20 0.30 0.00 -0.62 0.00 0.00 0.00 175.10 174.98 1hgj n GLU 74 N 4.36 1.61 0.00 2.72 1.02 -1.26 -5.13 120.64 123.96 1hgj n GLU 74 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1hgj n GLU 74 Cb 0.51 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 2.29 1.08 0.34 0.62 0.00 -1.26 -4.72 105.19 103.53 1hgj n GLY 75 Ca 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.49 1.61 2.43 -2.00 -0.54 114.38 115.27 1hgj h ARG 76 Ca 0.00 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1hgj h ARG 76 Cb 0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1hgj h ARG 76 CO 0.00 -0.08 -0.21 0.97 -1.51 0.00 0.00 179.97 179.14 1hgj h ILE 77 N -0.13 1.27 -0.01 1.20 6.09 -2.01 -2.75 117.51 121.17 1hgj h ILE 77 Ca 0.26 -1.38 -0.09 0.00 -1.37 0.00 0.00 64.86 62.27 1hgj h ILE 77 Cb 0.55 1.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 1hgj h ILE 77 CO -0.71 0.48 -0.44 -0.61 -3.07 0.00 0.00 178.15 173.80 1hgj h GLN 78 N 0.86 0.02 -0.68 2.19 4.15 -1.62 -1.28 115.11 118.75 1hgj h GLN 78 Ca 0.11 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1hgj h GLN 78 Cb 0.79 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 1hgj h GLN 78 CO 0.07 0.46 0.30 -0.44 -1.93 0.00 0.00 178.83 177.29 1hgj h ASP 79 N 0.02 0.91 -0.20 -0.69 3.32 -0.87 -0.96 116.42 117.95 1hgj h ASP 79 Ca -0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1hgj h ASP 79 Cb 0.79 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1hgj h ASP 79 CO 0.06 0.81 -0.11 0.25 -1.72 0.00 0.00 179.24 178.52 1hgj h LEU 80 N 0.95 0.45 -0.76 1.55 5.85 -1.17 0.60 115.31 122.78 1hgj h LEU 80 Ca 0.23 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1hgj h LEU 80 Cb 0.16 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1hgj h LEU 80 CO -0.02 0.78 0.39 -0.33 -0.34 0.00 0.00 178.44 178.91 1hgj h GLU 81 N 0.13 0.61 -0.22 1.25 5.08 -1.01 0.81 114.58 121.22 1hgj h GLU 81 Ca 0.04 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1hgj h GLU 81 Cb 0.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1hgj h GLU 81 CO 0.03 0.40 -0.04 0.87 -1.00 0.00 0.00 179.01 179.28 1hgj h LYS 82 N 0.63 0.42 -0.70 2.33 1.57 -1.03 -2.98 116.57 116.80 1hgj h LYS 82 Ca 0.39 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1hgj h LYS 82 Cb 0.44 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1hgj h LYS 82 CO -0.29 0.65 0.41 -0.92 -0.57 0.00 0.00 179.45 178.72 1hgj h TYR 83 N 0.15 0.93 -0.42 -1.35 3.20 -0.00 -0.63 116.97 118.86 1hgj h TYR 83 Ca 0.06 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1hgj h TYR 83 Cb 0.48 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 1hgj h TYR 83 CO 0.05 0.64 0.12 0.28 -1.64 0.00 0.00 178.16 177.61 1hgj h VAL 84 N 0.95 0.84 -0.33 1.81 2.07 -0.88 -0.06 116.25 120.66 1hgj h VAL 84 Ca 0.25 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.50 1hgj h VAL 84 Cb -0.01 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1hgj h VAL 84 CO -0.04 0.05 -0.48 -0.08 0.02 0.00 0.00 177.57 177.04 1hgj h GLU 85 N 0.27 0.90 -0.20 1.57 4.57 -1.28 -1.17 114.58 119.24 1hgj h GLU 85 Ca 0.20 -0.53 -0.10 0.00 -1.18 0.00 0.00 59.36 57.75 1hgj h GLU 85 Cb 0.21 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1hgj h GLU 85 CO -0.22 1.17 -0.32 0.22 -1.18 0.00 0.00 179.01 178.67 1hgj h ASP 86 N 0.71 0.42 0.80 1.04 3.58 -0.86 0.35 116.42 122.45 1hgj h ASP 86 Ca 0.03 -0.16 -0.18 0.00 0.42 0.00 0.00 57.03 57.15 1hgj h ASP 86 Cb 1.08 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 1hgj h ASP 86 CO 0.11 0.73 -0.84 0.71 -2.88 0.00 0.00 179.24 177.07 1hgj h THR 87 N 0.36 1.58 0.04 2.25 1.35 -0.79 -2.15 112.91 115.55 1hgj h THR 87 Ca 0.04 -2.82 -0.00 0.00 -0.55 0.00 0.00 66.41 63.08 1hgj h THR 87 Cb 0.74 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1hgj h THR 87 CO 0.06 0.81 -0.02 0.50 -0.25 0.00 0.00 175.52 176.62 1hgj h LYS 88 N 0.01 -0.05 -0.15 4.72 3.64 -0.49 -2.32 116.57 121.93 1hgj h LYS 88 Ca -0.01 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1hgj h LYS 88 Cb 1.48 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 1hgj h LYS 88 CO 0.11 0.04 -0.05 0.82 -2.27 0.00 0.00 179.45 178.10 1hgj h ILE 89 N -0.13 0.81 -0.80 2.00 2.04 -0.88 -0.81 117.51 119.74 1hgj h ILE 89 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1hgj h ILE 89 Cb 0.12 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1hgj h ILE 89 CO 0.01 0.00 0.52 0.44 0.00 0.00 0.00 178.15 179.12 1hgj h ASP 90 N -0.02 0.81 -0.10 1.72 3.32 -1.32 0.65 116.42 121.48 1hgj h ASP 90 Ca 0.08 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1hgj h ASP 90 Cb 0.14 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1hgj h ASP 90 CO -0.17 0.55 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.80 1hgj h LEU 91 N 0.94 0.19 -1.64 1.55 3.38 -0.85 0.64 115.31 119.52 1hgj h LEU 91 Ca 0.33 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1hgj h LEU 91 Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1hgj h LEU 91 CO -0.10 0.53 -0.11 -0.50 0.09 0.00 0.00 178.44 178.35 1hgj h TRP 92 N -0.15 0.10 -0.15 1.13 4.06 -0.79 -1.37 115.95 118.78 1hgj h TRP 92 Ca 0.02 -0.01 -0.16 0.00 2.06 0.00 0.00 58.89 60.80 1hgj h TRP 92 Cb 0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 1hgj h TRP 92 CO 0.06 0.21 -0.60 0.77 -3.56 0.00 0.00 178.44 175.32 1hgj h SER 93 N 0.10 0.56 -0.43 -3.49 0.02 -0.42 -1.25 113.55 108.64 1hgj h SER 93 Ca 0.02 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1hgj h SER 93 Cb 0.25 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1hgj h SER 93 CO 0.02 1.03 0.17 0.22 -1.14 0.00 0.00 176.83 177.13 1hgj h TYR 94 N 0.37 0.66 -0.17 3.45 3.20 -0.23 -1.70 116.97 122.55 1hgj h TYR 94 Ca -0.00 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1hgj h TYR 94 Cb 1.14 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1hgj h TYR 94 CO 0.04 0.57 0.09 -0.91 -1.64 0.00 0.00 178.16 176.31 1hgj h ASN 95 N 0.56 0.14 -0.61 -2.11 2.35 -0.94 -0.99 115.58 113.98 1hgj h ASN 95 Ca 0.14 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1hgj h ASN 95 Cb 0.19 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1hgj h ASN 95 CO -0.01 0.11 0.36 0.00 -1.65 0.00 0.00 177.43 176.24 1hgj h ALA 96 N 1.08 0.77 -0.27 -0.83 0.00 -1.00 0.00 119.26 119.02 1hgj h ALA 96 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1hgj h ALA 96 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1hgj h ALA 96 CO -0.04 0.25 0.13 1.49 0.00 0.00 0.00 179.25 181.09 1hgj h GLU 97 N 0.82 0.39 -0.55 0.00 4.57 -0.95 -1.70 114.58 117.15 1hgj h GLU 97 Ca 0.22 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 1hgj h GLU 97 Cb -0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1hgj h GLU 97 CO -0.04 0.37 -0.09 1.25 -1.18 0.00 0.00 179.01 179.32 1hgj h LEU 98 N 0.31 1.04 0.50 1.64 5.85 -1.01 -2.34 115.31 121.31 1hgj h LEU 98 Ca 0.09 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1hgj h LEU 98 Cb 0.11 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1hgj h LEU 98 CO -0.01 1.14 -0.24 0.25 -0.34 0.00 0.00 178.44 179.24 1hgj h LEU 99 N 0.93 -0.57 -1.23 2.25 5.85 -0.54 -0.89 115.31 121.10 1hgj h LEU 99 Ca 0.15 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1hgj h LEU 99 Cb 0.67 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1hgj h LEU 99 CO 0.05 -0.40 -0.18 -0.37 -0.34 0.00 0.00 178.44 177.20 1hgj h VAL 100 N -0.68 1.22 -0.11 1.05 -1.51 -1.32 -0.87 116.25 114.03 1hgj h VAL 100 Ca -0.07 -0.99 -0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1hgj h VAL 100 Cb 0.52 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1hgj h VAL 100 CO 0.11 0.31 0.06 0.00 -1.23 0.00 0.00 177.57 176.83 1hgj h ALA 101 N 1.53 0.14 0.31 5.19 0.00 -0.97 0.58 119.26 126.04 1hgj h ALA 101 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1hgj h ALA 101 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1hgj h ALA 101 CO 0.03 -0.33 -0.15 -0.07 0.00 0.00 0.00 179.25 178.73 1hgj h LEU 102 N 0.10 -0.36 -0.51 0.00 3.38 -0.76 -1.97 115.31 115.19 1hgj h LEU 102 Ca 0.04 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1hgj h LEU 102 Cb 0.05 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 1hgj h LEU 102 CO -0.01 -0.18 -0.18 -0.33 0.09 0.00 0.00 178.44 177.83 1hgj h GLU 103 N -0.51 -0.06 -0.54 1.13 4.39 -1.06 -0.63 114.58 117.30 1hgj h GLU 103 Ca -0.04 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1hgj h GLU 103 Cb 0.38 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1hgj h GLU 103 CO 0.07 -0.04 -0.07 -0.91 -1.16 0.00 0.00 179.01 176.90 1hgj h ASN 104 N -0.06 0.97 -0.26 1.42 2.35 -0.79 0.90 115.58 120.10 1hgj h ASN 104 Ca 0.24 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1hgj h ASN 104 Cb 0.44 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1hgj h ASN 104 CO -0.56 1.06 0.16 -0.61 -1.65 0.00 0.00 177.43 175.82 1hgj h GLN 105 N 0.88 0.31 -0.61 0.81 5.75 -0.69 -1.65 115.11 119.92 1hgj h GLN 105 Ca 0.15 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1hgj h GLN 105 Cb 0.61 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1hgj h GLN 105 CO 0.04 0.21 0.04 1.25 -2.65 0.00 0.00 178.83 177.71 1hgj h HIS 106 N 0.32 1.14 -0.68 3.99 2.76 -0.47 -2.31 115.15 119.89 1hgj h HIS 106 Ca 0.10 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1hgj h HIS 106 Cb -0.01 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.61 1hgj h HIS 106 CO -0.07 0.99 0.37 1.15 -1.30 0.00 0.00 177.93 179.07 1hgj h THR 107 N 0.96 1.21 -0.51 6.26 2.02 -0.32 0.11 112.91 122.64 1hgj h THR 107 Ca 0.18 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 1hgj h THR 107 Cb 0.51 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1hgj h THR 107 CO 0.02 0.23 -0.17 0.40 0.37 0.00 0.00 175.52 176.37 1hgj h ILE 108 N 0.95 1.27 -0.05 3.11 2.04 -0.95 -1.97 117.51 121.91 1hgj h ILE 108 Ca 0.24 -1.33 -0.18 0.00 1.00 0.00 0.00 64.86 64.59 1hgj h ILE 108 Cb 0.02 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1hgj h ILE 108 CO -0.04 0.46 -0.74 0.44 0.00 0.00 0.00 178.15 178.28 1hgj h ASP 109 N 0.87 0.36 -0.11 1.72 3.32 -0.84 -1.56 116.42 120.19 1hgj h ASP 109 Ca 0.12 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1hgj h ASP 109 Cb 0.75 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1hgj h ASP 109 CO 0.06 0.98 -0.04 0.25 -1.72 0.00 0.00 179.24 178.76 1hgj h LEU 110 N 0.20 -0.15 -1.01 1.55 6.46 -0.75 0.16 115.31 121.78 1hgj h LEU 110 Ca -0.03 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1hgj h LEU 110 Cb 1.31 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 1hgj h LEU 110 CO 0.12 -0.06 -0.45 0.71 -0.62 0.00 0.00 178.44 178.14 1hgj h THR 111 N -0.03 1.33 -0.31 1.05 1.35 -1.25 -0.89 112.91 114.15 1hgj h THR 111 Ca 0.06 -1.59 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 1hgj h THR 111 Cb 0.12 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1hgj h THR 111 CO -0.13 0.46 0.08 -0.78 -0.25 0.00 0.00 175.52 174.90 1hgj h ASP 112 N 0.07 0.47 0.08 5.36 3.58 -0.85 -2.26 116.42 122.87 1hgj h ASP 112 Ca 0.00 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.25 1hgj h ASP 112 Cb 0.83 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.71 1hgj h ASP 112 CO 0.06 0.58 -0.38 -1.28 -2.88 0.00 0.00 179.24 175.35 1hgj h SER 113 N 0.35 -1.11 -0.81 2.28 0.87 -0.33 -1.11 113.55 113.68 1hgj h SER 113 Ca 0.10 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1hgj h SER 113 Cb 0.29 0.43 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1hgj h SER 113 CO 0.00 -0.45 0.53 -0.33 -0.53 0.00 0.00 176.83 176.05 1hgj h GLU 114 N -0.58 0.88 0.01 2.24 4.39 -1.00 0.38 114.58 120.89 1hgj h GLU 114 Ca 0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1hgj h GLU 114 Cb 0.63 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1hgj h GLU 114 CO -0.25 0.58 -0.01 1.98 -1.16 0.00 0.00 179.01 180.16 1hgj h MET 115 N 0.91 -0.02 -0.37 2.33 4.05 -1.05 -1.13 114.93 119.65 1hgj h MET 115 Ca 0.34 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.68 1hgj h MET 115 Cb 0.19 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1hgj h MET 115 CO -0.12 0.02 -0.10 -0.97 0.23 0.00 0.00 176.91 175.97 1hgj h ASN 116 N -0.05 0.63 -0.64 1.39 -1.24 0.11 -1.63 115.58 114.14 1hgj h ASN 116 Ca -0.00 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.78 1hgj h ASN 116 Cb 0.05 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 1hgj h ASN 116 CO 0.00 0.77 0.18 0.11 -1.29 0.00 0.00 177.43 177.20 1hgj h LYS 117 N 0.59 1.02 -0.77 6.67 1.57 -0.04 -0.90 116.57 124.71 1hgj h LYS 117 Ca 0.11 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1hgj h LYS 117 Cb 0.53 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1hgj h LYS 117 CO 0.03 0.90 0.42 1.25 -0.57 0.00 0.00 179.45 181.49 1hgj h LEU 118 N 0.94 0.96 0.48 2.94 5.85 -0.57 -0.60 115.31 125.30 1hgj h LEU 118 Ca 0.21 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1hgj h LEU 118 Cb 0.33 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1hgj h LEU 118 CO -0.00 0.78 -0.24 0.15 -0.34 0.00 0.00 178.44 178.78 1hgj h PHE 119 N 1.06 -0.62 -0.65 1.25 3.57 -0.83 -1.85 116.94 118.88 1hgj h PHE 119 Ca 0.27 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.83 1hgj h PHE 119 Cb 0.03 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1hgj h PHE 119 CO 0.00 -0.38 0.43 0.93 -2.23 0.00 0.00 178.31 177.06 1hgj h GLU 120 N -0.66 0.57 -0.03 1.11 4.39 -0.73 -0.70 114.58 118.54 1hgj h GLU 120 Ca -0.06 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1hgj h GLU 120 Cb 0.51 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1hgj h GLU 120 CO 0.10 0.38 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.11 1hgj h LYS 121 N 0.59 0.05 -0.83 2.33 3.64 -0.93 -1.72 116.57 119.70 1hgj h LYS 121 Ca 0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1hgj h LYS 121 Cb 0.36 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1hgj h LYS 121 CO -0.09 0.37 0.52 1.15 -2.27 0.00 0.00 179.45 179.13 1hgj h THR 122 N -0.28 1.22 0.14 1.00 2.02 -0.45 -2.58 112.91 113.99 1hgj h THR 122 Ca 0.01 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1hgj h THR 122 Cb 0.35 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1hgj h THR 122 CO 0.00 0.23 -0.30 -0.09 0.37 0.00 0.00 175.52 175.73 1hgj h ARG 123 N 1.13 -0.51 -0.92 6.66 2.43 -1.05 -2.18 114.38 119.94 1hgj h ARG 123 Ca 0.30 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.69 1hgj h ARG 123 Cb -0.08 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 1hgj h ARG 123 CO -0.06 -0.34 0.60 0.00 -1.51 0.00 0.00 179.97 178.66 1hgj h ARG 124 N -0.53 0.52 0.03 0.20 3.08 -1.13 -2.38 114.38 114.16 1hgj h ARG 124 Ca 0.03 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1hgj h ARG 124 Cb 0.55 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.50 1hgj h ARG 124 CO -0.16 0.34 -0.82 0.37 -1.07 0.00 0.00 179.97 178.63 1hgj h GLN 125 N 0.53 0.51 0.00 0.04 4.15 -1.04 -3.12 115.11 116.18 1hgj h GLN 125 Ca 0.49 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1hgj h GLN 125 Cb 1.03 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1hgj h GLN 125 CO -0.22 1.21 0.00 1.28 -1.93 0.00 0.00 178.83 179.17 1hgj n LEU 126 N -4.06 0.58 0.00 -2.39 4.77 -0.86 -4.57 117.00 110.46 1hgj n LEU 126 Ca -0.11 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1hgj n LEU 126 Cb 0.78 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1hgj n LEU 126 CO 0.51 -0.57 0.00 0.54 -1.33 0.00 0.00 177.39 176.54 1hgj n ARG 127 N -2.15 0.00 -0.13 3.23 5.12 -1.08 -1.49 116.66 120.15 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 0.20 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.59 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 1.60 0.00 5.56 4.07 -1.26 -3.91 120.64 140.70 1hgj n GLU 128 Ca 0.00 -0.76 0.10 0.00 -0.06 0.00 0.00 57.16 56.44 1hgj n GLU 128 Cb 0.00 -1.27 0.03 0.00 -0.06 0.00 0.00 31.44 30.13 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 0.11 2.19 -4.05 4.31 3.02 -0.55 -4.68 115.26 115.62 1hgj n ASN 129 Ca 0.07 -1.59 -0.08 0.00 -0.03 0.00 0.00 54.58 52.95 1hgj n ASN 129 Cb 0.24 0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.12 0.36 0.09 5.41 0.00 -1.25 -1.16 121.76 123.10 1hgj s ALA 130 Ca 0.19 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.19 1hgj s ALA 130 Cb 0.17 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1hgj s ALA 130 CO 0.43 -0.36 -0.23 -1.21 0.00 0.00 0.00 175.76 174.39 1hgj s GLU 131 N -3.60 1.32 -0.22 0.00 2.02 -0.27 -4.94 118.70 113.01 1hgj s GLU 131 Ca 0.04 -1.18 -0.26 0.00 0.02 0.00 0.00 54.97 53.60 1hgj s GLU 131 Cb 0.05 -1.63 -0.00 0.00 0.10 0.00 0.00 34.13 32.65 1hgj s GLU 131 CO -0.09 0.39 0.87 -2.00 0.02 0.00 0.00 175.26 174.45 1hgj s GLU 132 N -1.76 4.23 0.00 1.61 2.12 -1.26 -0.62 118.70 123.01 1hgj s GLU 132 Ca 0.09 1.04 0.24 0.00 0.36 0.00 0.00 54.97 56.71 1hgj s GLU 132 Cb -0.10 -3.63 1.12 0.00 0.26 0.00 0.00 34.13 31.79 1hgj s GLU 132 CO 0.04 -0.50 1.79 -1.33 -0.54 0.00 0.00 175.26 174.73 1hgj n MET 133 N 5.89 0.16 -0.32 4.30 2.81 0.09 -4.90 117.12 125.15 1hgj n MET 133 Ca 0.07 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 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 0.91 1.23 0.93 3.03 0.00 -1.26 -4.85 105.19 105.18 1hgj n GLY 134 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.34 0.00 1.61 6.94 -1.26 -4.88 115.26 120.02 1hgj n ASN 135 Ca 0.00 -3.73 0.00 0.00 -0.02 0.00 0.00 54.58 50.83 1hgj n ASN 135 Cb 0.00 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 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 -1.10 0.71 3.59 4.83 0.00 -1.26 -4.60 105.19 107.36 1hgj n GLY 136 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.56 3.63 -0.41 0.00 0.08 -1.26 -0.73 117.98 118.73 1hgj s PHE 138 Ca 0.09 0.79 -0.17 0.00 0.12 0.00 0.00 56.93 57.75 1hgj s PHE 138 Cb -0.12 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1hgj s PHE 138 CO 0.02 0.60 0.45 0.21 -0.10 0.00 0.00 175.22 176.40 1hgj s LYS 139 N -1.52 3.21 -0.39 0.44 2.47 0.21 -4.91 119.74 119.26 1hgj s LYS 139 Ca 0.27 -0.64 -0.24 0.00 -1.56 0.00 0.00 55.97 53.81 1hgj s LYS 139 Cb -0.14 -3.93 0.01 0.00 -1.46 0.00 0.00 37.83 32.31 1hgj s LYS 139 CO 0.15 -0.80 0.81 0.42 0.16 0.00 0.00 175.35 176.08 1hgj s ILE 140 N 2.19 4.68 -0.19 5.43 1.01 -1.26 -1.12 121.20 131.95 1hgj s ILE 140 Ca 0.13 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 61.58 1hgj s ILE 140 Cb -0.17 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1hgj s ILE 140 CO 0.14 -0.52 2.90 -1.22 0.00 0.00 0.00 174.94 176.23 1hgj n TYR 141 N 6.57 0.72 -3.48 3.97 4.02 -0.31 -4.82 117.16 123.83 1hgj n TYR 141 Ca 0.04 -1.63 -0.12 0.00 -0.01 0.00 0.00 57.90 56.18 1hgj n TYR 141 Cb 0.48 -1.28 -0.02 0.00 -0.02 0.00 0.00 39.34 38.50 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 -0.40 -0.46 -0.06 -0.72 -3.43 -1.26 -3.60 115.29 105.35 1hgj s HIS 142 Ca 0.50 0.22 -0.30 0.00 -0.80 0.00 0.00 55.06 54.68 1hgj s HIS 142 Cb 0.28 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.89 1hgj s HIS 142 CO -0.07 -0.84 1.68 0.21 -2.00 0.00 0.00 174.74 173.72 1hgj s LYS 143 N -3.77 4.13 -0.34 -0.38 2.20 -1.26 -4.95 119.74 115.37 1hgj s LYS 143 Ca 0.02 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1hgj s LYS 143 Cb -0.01 -4.01 0.11 0.00 -1.51 0.00 0.00 37.83 32.41 1hgj s LYS 143 CO -0.12 -0.91 0.13 0.00 -0.36 0.00 0.00 175.35 174.09 1hgj n ASP 145 N 4.54 -1.46 0.25 0.00 5.68 -1.26 -4.41 116.55 119.89 1hgj n ASP 145 Ca 0.01 -1.17 0.08 0.00 -0.50 0.00 0.00 54.79 53.21 1hgj n ASP 145 Cb 0.40 -0.89 0.63 0.00 -1.14 0.00 0.00 41.12 40.12 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 -2.28 0.00 0.53 -1.12 2.35 -1.99 0.19 115.58 113.27 1hgj h ASN 146 Ca -0.37 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.20 1hgj h ASN 146 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1hgj h ASN 146 CO 0.24 0.06 -0.81 0.00 -1.65 0.00 0.00 177.43 175.28 1hgj h ALA 147 N 1.94 0.61 0.02 -0.83 0.00 -1.98 -0.05 119.26 118.96 1hgj h ALA 147 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1hgj h ALA 147 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1hgj h ALA 147 CO 0.01 0.87 -0.01 0.00 0.00 0.00 0.00 179.25 180.12 1hgj h ILE 149 N -0.18 1.06 -0.31 0.00 1.08 -0.82 -0.38 117.51 117.96 1hgj h ILE 149 Ca -0.00 -0.36 -0.08 0.00 -0.39 0.00 0.00 64.86 64.03 1hgj h ILE 149 Cb 0.17 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 1hgj h ILE 149 CO 0.00 0.19 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.41 1hgj h GLU 150 N 1.04 0.54 -0.09 2.37 4.57 -0.67 -2.08 114.58 120.25 1hgj h GLU 150 Ca 0.39 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.31 1hgj h GLU 150 Cb 0.16 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1hgj h GLU 150 CO -0.17 0.69 -0.34 0.66 -1.18 0.00 0.00 179.01 178.66 1hgj h SER 151 N 0.49 0.19 -0.08 1.04 4.64 0.76 0.14 113.55 120.74 1hgj h SER 151 Ca 0.08 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1hgj h SER 151 Cb 0.57 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1hgj h SER 151 CO 0.04 0.53 0.01 0.40 -0.87 0.00 0.00 176.83 176.94 1hgj h ILE 152 N 0.16 1.21 0.16 0.95 2.04 -0.93 0.38 117.51 121.48 1hgj h ILE 152 Ca 0.02 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1hgj h ILE 152 Cb 0.69 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1hgj h ILE 152 CO 0.05 0.18 -0.08 0.03 0.00 0.00 0.00 178.15 178.34 1hgj h ARG 153 N -0.10 -0.20 -0.01 2.37 3.08 -0.94 -2.41 114.38 116.16 1hgj h ARG 153 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1hgj h ARG 153 Cb 0.27 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1hgj h ARG 153 CO 0.00 -0.06 0.00 0.27 -1.07 0.00 0.00 179.97 179.11 1hgj n ASN 154 N -5.14 0.12 -0.10 7.04 0.23 0.45 -4.89 115.26 112.97 1hgj n ASN 154 Ca -0.09 -1.60 -0.01 0.00 -0.53 0.00 0.00 54.58 52.35 1hgj n ASN 154 Cb 0.14 -0.01 -0.00 0.00 -2.08 0.00 0.00 39.78 37.83 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 0.73 0.41 0.54 4.83 0.00 -0.39 -4.93 105.19 106.38 1hgj n GLY 155 Ca 0.10 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.38 1.21 -1.96 2.61 -2.24 0.12 -5.01 114.28 105.63 1hgj n THR 156 Ca -0.01 -1.16 -0.42 0.00 -2.27 0.00 0.00 64.05 60.19 1hgj n THR 156 Cb 0.22 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.32 3.07 -0.40 4.78 6.14 -0.79 -4.93 117.35 123.92 1hgj s TYR 157 Ca 0.22 0.69 -0.14 0.00 0.64 0.00 0.00 57.07 58.48 1hgj s TYR 157 Cb 0.13 -3.90 0.02 0.00 0.42 0.00 0.00 41.96 38.63 1hgj s TYR 157 CO 0.11 -3.26 0.28 0.34 0.64 0.00 0.00 175.55 173.66 1hgj s ASP 158 N 1.06 6.05 0.30 4.32 -1.08 -1.26 -4.95 116.67 121.11 1hgj s ASP 158 Ca 0.68 -0.86 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 1hgj s ASP 158 Cb -0.43 -2.14 0.46 0.00 -1.46 0.00 0.00 42.92 39.35 1hgj s ASP 158 CO 0.32 -0.42 1.75 1.12 0.52 0.00 0.00 175.17 178.46 1hgj h HIS 159 N 8.59 0.48 -0.99 -5.34 2.07 -1.92 -2.98 115.15 115.05 1hgj h HIS 159 Ca -0.27 -0.10 0.02 0.00 -2.85 0.00 0.00 60.37 57.17 1hgj h HIS 159 Cb 1.12 -0.12 -0.05 0.00 2.57 0.00 0.00 27.41 30.93 1hgj h HIS 159 CO 0.56 0.64 0.65 -0.44 -3.07 0.00 0.00 177.93 176.28 1hgj h ASP 160 N 0.38 1.12 -0.97 3.10 3.32 -1.96 -0.64 116.42 120.77 1hgj h ASP 160 Ca 0.06 -0.02 0.26 0.00 0.02 0.00 0.00 57.03 57.34 1hgj h ASP 160 Cb 0.64 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1hgj h ASP 160 CO 0.05 0.79 0.66 0.58 -1.72 0.00 0.00 179.24 179.60 1hgj h VAL 161 N 1.31 0.56 -0.07 -1.35 2.07 -1.96 -1.51 116.25 115.31 1hgj h VAL 161 Ca 0.37 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1hgj h VAL 161 Cb -0.10 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1hgj h VAL 161 CO -0.09 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 176.31 1hgj n TYR 162 N -4.41 0.09 -0.03 1.57 4.02 -0.36 -4.82 117.16 113.22 1hgj n TYR 162 Ca 0.21 -0.33 -0.09 0.00 -0.01 0.00 0.00 57.90 57.68 1hgj n TYR 162 Cb 0.90 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 40.16 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 0.61 0.07 -0.33 -0.72 2.43 -0.16 0.24 114.38 116.52 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 0.42 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1hgj h ARG 163 CO 0.00 0.05 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.86 1hgj h ASP 164 N 0.08 0.62 0.12 -3.80 3.32 -1.88 0.20 116.42 115.08 1hgj h ASP 164 Ca 0.07 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1hgj h ASP 164 Cb 0.08 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1hgj h ASP 164 CO -0.11 0.83 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.10 1hgj h GLU 165 N 0.55 -0.15 -0.15 3.56 4.81 -1.78 -1.65 114.58 119.76 1hgj h GLU 165 Ca 0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1hgj h GLU 165 Cb 0.66 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1hgj h GLU 165 CO 0.05 -0.02 0.05 0.00 -0.73 0.00 0.00 179.01 178.36 1hgj h ALA 166 N 0.62 0.20 -0.49 2.92 0.00 -0.63 -2.16 119.26 119.72 1hgj h ALA 166 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1hgj h ALA 166 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hgj h ALA 166 CO 0.03 -0.19 0.23 -0.07 0.00 0.00 0.00 179.25 179.24 1hgj h LEU 167 N 0.07 0.62 0.39 0.00 3.38 -0.56 0.87 115.31 120.08 1hgj h LEU 167 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1hgj h LEU 167 Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1hgj h LEU 167 CO -0.00 0.54 -0.19 -1.13 0.09 0.00 0.00 178.44 177.75 1hgj h ASN 168 N 0.69 -0.44 -0.89 -0.43 -0.73 -1.12 -0.74 115.58 111.91 1hgj h ASN 168 Ca 0.17 -0.07 0.08 0.00 1.87 0.00 0.00 56.30 58.35 1hgj h ASN 168 Cb 0.09 0.11 -0.06 0.00 0.27 0.00 0.00 38.32 38.73 1hgj h ASN 168 CO -0.02 -0.20 0.58 0.78 -0.37 0.00 0.00 177.43 178.20 1hgj h ASN 169 N -0.67 0.86 0.21 1.15 2.35 -0.80 -2.72 115.58 115.96 1hgj h ASN 169 Ca -0.05 0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.37 1hgj h ASN 169 Cb 0.48 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.71 1hgj h ASN 169 CO 0.09 0.53 -1.61 -0.09 -1.65 0.00 0.00 177.43 174.69 1hgj h ARG 170 N 0.96 0.45 0.00 0.81 2.43 -0.75 -3.43 114.38 114.84 1hgj h ARG 170 Ca 0.40 -0.77 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1hgj h ARG 170 Cb 0.29 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1hgj h ARG 170 CO -0.16 1.37 0.00 1.19 -1.51 0.00 0.00 179.97 180.86 1hgj n PHE 171 N -3.67 0.00 0.00 2.20 3.72 -0.29 -4.86 117.46 114.55 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 1.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 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 -1.83 0.00 0.00 -1.08 6.02 -1.03 -4.49 117.38 114.96 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 -0.37 0.00 0.00 1.02 0.00 0.00 30.24 30.89 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 -2.01 0.00 -1.77 5.09 2.08 -1.25 -2.89 119.36 118.61 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 -0.39 0.00 0.00 -1.05 0.00 0.00 58.31 56.87 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