#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgg h LEU 2 N 0.00 0.00 0.00 0.99 3.38 -1.89 -2.87 115.31 114.91 1hgg h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hgg h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hgg h LEU 2 CO 0.00 0.04 -1.60 0.49 0.09 0.00 0.00 178.44 177.46 1hgg n PHE 3 N -4.11 0.15 -1.16 1.13 3.72 -1.26 -4.98 117.46 110.96 1hgg n PHE 3 Ca -0.03 0.04 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 1hgg n PHE 3 Cb 0.12 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 38.18 1hgg n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hgg n GLY 4 N 1.30 0.63 0.00 1.37 0.00 -1.09 -4.96 105.19 102.45 1hgg n GLY 4 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1hgg n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgg n ALA 5 N 0.94 0.00 -1.87 4.61 0.00 -1.26 -0.38 120.51 122.55 1hgg n ALA 5 Ca -0.04 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1hgg n ALA 5 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1hgg n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hgg s ILE 6 N -0.99 2.45 -1.43 0.00 1.01 -1.26 -0.88 121.20 120.10 1hgg s ILE 6 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 1hgg s ILE 6 Cb 0.00 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.30 1hgg s ILE 6 CO 0.00 0.03 0.65 0.00 0.00 0.00 0.00 174.94 175.62 1hgg n ALA 7 N 3.69 -1.08 -2.00 9.38 0.00 -1.23 -3.76 120.51 125.52 1hgg n ALA 7 Ca 0.13 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1hgg n ALA 7 Cb 0.38 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.19 1hgg n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hgg n GLY 8 N -1.44 3.66 0.25 0.00 0.00 -0.06 -4.84 105.19 102.77 1hgg n GLY 8 Ca -0.04 -0.40 0.17 0.00 0.00 0.00 0.00 46.02 45.75 1hgg n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1hgg h PHE 9 N 0.00 0.00 -3.59 1.61 -5.15 -0.24 -3.33 116.94 106.24 1hgg h PHE 9 Ca 0.00 0.00 -0.68 0.00 -0.20 0.00 0.00 57.97 57.09 1hgg h PHE 9 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 35.99 1hgg h PHE 9 CO 0.00 0.00 -0.22 0.42 -2.00 0.00 0.00 178.31 176.51 1hgg s ILE 10 N -3.62 5.11 0.47 0.88 1.01 -0.76 -4.08 121.20 120.20 1hgg s ILE 10 Ca 0.01 -0.15 0.12 0.00 0.00 0.00 0.00 60.65 60.64 1hgg s ILE 10 Cb 0.09 -3.96 0.27 0.00 0.01 0.00 0.00 42.46 38.87 1hgg s ILE 10 CO 0.51 -0.29 2.11 -0.33 0.00 0.00 0.00 174.94 176.94 1hgg h GLU 11 N 8.61 0.25 -2.10 2.79 5.08 -1.85 -3.25 114.58 124.11 1hgg h GLU 11 Ca -0.28 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1hgg h GLU 11 Cb 1.12 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 1hgg h GLU 11 CO 0.76 0.16 0.58 0.54 -1.00 0.00 0.00 179.01 180.04 1hgg s ASN 12 N -6.89 -0.16 0.82 1.42 4.22 -1.26 -4.75 114.94 108.33 1hgg s ASN 12 Ca -0.06 -0.30 -0.10 0.00 -2.14 0.00 0.00 52.86 50.26 1hgg s ASN 12 Cb 0.17 0.39 0.13 0.00 1.28 0.00 0.00 41.25 43.23 1hgg s ASN 12 CO 0.70 -0.72 1.15 -0.83 -2.04 0.00 0.00 177.10 175.36 1hgg s GLY 13 N -2.90 1.73 -0.28 0.45 0.00 -1.26 -4.99 107.32 100.06 1hgg s GLY 13 Ca 0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1hgg s GLY 13 CO -0.00 -0.57 -0.03 -0.98 0.00 0.00 0.00 173.10 171.52 1hgg s TRP 14 N -3.52 3.23 0.34 1.90 0.51 -1.26 -4.93 118.94 115.21 1hgg s TRP 14 Ca 0.67 -1.90 0.24 0.00 -2.12 0.00 0.00 56.10 52.99 1hgg s TRP 14 Cb -0.07 -2.06 1.17 0.00 -0.81 0.00 0.00 33.47 31.70 1hgg s TRP 14 CO 0.48 -0.81 1.96 0.93 -0.51 0.00 0.00 176.95 179.01 1hgg h GLU 15 N 7.96 0.00 0.00 4.98 5.08 -2.04 -2.48 114.58 128.08 1hgg h GLU 15 Ca -0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1hgg h GLU 15 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1hgg h GLU 15 CO 0.53 0.20 -0.03 0.78 -1.00 0.00 0.00 179.01 179.48 1hgg h GLY 16 N 1.21 0.00 -6.44 -3.84 0.00 -2.04 -3.41 103.07 88.55 1hgg h GLY 16 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.73 1hgg h GLY 16 CO 0.03 0.00 0.58 -0.29 0.00 0.00 0.00 176.54 176.85 1hgg s MET 17 N -4.61 3.80 0.00 4.80 -2.45 -0.93 -4.82 119.30 115.08 1hgg s MET 17 Ca -0.05 0.51 0.03 0.00 -1.25 0.00 0.00 55.69 54.93 1hgg s MET 17 Cb 0.15 -3.82 0.02 0.00 1.25 0.00 0.00 34.83 32.43 1hgg s MET 17 CO 0.57 -0.97 0.57 0.44 1.05 0.00 0.00 175.02 176.68 1hgg n ILE 18 N 6.01 0.00 -0.06 10.11 -5.35 -1.26 -4.64 119.36 124.16 1hgg n ILE 18 Ca 0.07 -0.50 0.10 0.00 -0.27 0.00 0.00 62.75 62.15 1hgg n ILE 18 Cb 0.48 1.06 0.23 0.00 -1.74 0.00 0.00 39.64 39.66 1hgg n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1hgg n ASP 19 N 0.10 3.40 0.00 7.28 5.75 -1.26 -5.03 116.55 126.78 1hgg n ASP 19 Ca 0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1hgg n ASP 19 Cb 0.07 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1hgg n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hgg n GLY 20 N 1.23 -1.45 0.09 6.12 0.00 -1.26 -4.79 105.19 105.13 1hgg n GLY 20 Ca 0.18 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 1hgg n GLY 20 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hgg n TRP 21 N 0.31 0.22 -4.29 1.61 7.02 -1.26 -4.96 117.44 116.09 1hgg n TRP 21 Ca 0.00 0.08 -0.17 0.00 -1.02 0.00 0.00 57.50 56.39 1hgg n TRP 21 Cb 0.00 -1.00 -0.10 0.00 -2.42 0.00 0.00 31.31 27.79 1hgg n TRP 21 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1hgg s TYR 22 N -2.61 1.50 -0.37 -5.99 2.02 -1.26 -5.02 117.35 105.62 1hgg s TYR 22 Ca -0.09 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 1hgg s TYR 22 Cb 0.07 -0.74 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 1hgg s TYR 22 CO 0.83 0.22 0.00 0.41 -1.57 0.00 0.00 175.55 175.44 1hgg n GLY 23 N -0.02 -1.24 3.42 0.71 0.00 -1.26 -0.03 105.19 106.77 1hgg n GLY 23 Ca -0.11 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1hgg n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hgg s PHE 24 N -2.59 2.50 -0.02 1.61 0.40 0.08 -4.87 117.98 115.08 1hgg s PHE 24 Ca 0.00 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.08 1hgg s PHE 24 Cb 0.00 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1hgg s PHE 24 CO 0.00 0.20 -0.18 1.03 0.70 0.00 0.00 175.22 176.97 1hgg s ARG 25 N -1.28 1.56 0.24 0.44 0.52 -1.26 -0.91 118.95 118.25 1hgg s ARG 25 Ca 0.13 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1hgg s ARG 25 Cb -0.10 -1.45 -0.04 0.00 0.52 0.00 0.00 34.95 33.88 1hgg s ARG 25 CO 0.04 0.34 0.17 -3.38 0.02 0.00 0.00 175.30 172.49 1hgg s HIS 26 N -0.27 1.33 -0.13 -0.53 -3.43 -0.29 -4.97 115.29 106.99 1hgg s HIS 26 Ca 0.03 -1.45 -0.07 0.00 -0.80 0.00 0.00 55.06 52.78 1hgg s HIS 26 Cb -0.08 -0.61 0.05 0.00 -1.43 0.00 0.00 32.58 30.51 1hgg s HIS 26 CO 0.00 -0.69 0.31 -1.14 -2.00 0.00 0.00 174.74 171.23 1hgg s GLN 27 N -3.97 0.27 0.00 -0.38 0.74 -1.26 -1.44 119.66 113.62 1hgg s GLN 27 Ca 0.39 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.47 1hgg s GLN 27 Cb 0.06 -0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.11 1hgg s GLN 27 CO 0.16 -0.17 0.00 0.27 -0.55 0.00 0.00 175.29 175.00 1hgg n ASN 28 N 4.38 0.00 -0.01 6.67 6.94 -0.02 -5.00 115.26 128.21 1hgg n ASN 28 Ca -0.22 -0.71 0.15 0.00 -0.02 0.00 0.00 54.58 53.78 1hgg n ASN 28 Cb 0.53 0.00 0.59 0.00 -2.36 0.00 0.00 39.78 38.54 1hgg n ASN 28 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1hgg h SER 29 N 0.00 0.19 -0.48 0.53 4.64 -1.92 -1.97 113.55 114.53 1hgg h SER 29 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1hgg h SER 29 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1hgg h SER 29 CO 0.00 0.11 0.00 -0.62 -0.87 0.00 0.00 176.83 175.45 1hgg n GLU 30 N -4.44 2.39 0.00 4.77 1.02 -1.26 -5.07 120.64 118.05 1hgg n GLU 30 Ca 0.08 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1hgg n GLU 30 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1hgg n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hgg n GLY 31 N 1.46 0.50 3.36 0.62 0.00 -0.74 -5.02 105.19 105.37 1hgg n GLY 31 Ca 0.20 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.09 1hgg n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hgg s THR 32 N -1.45 1.74 0.13 2.61 -4.23 -1.26 -0.84 115.64 112.34 1hgg s THR 32 Ca 0.00 -2.20 -0.25 0.00 -1.18 0.00 0.00 61.69 58.06 1hgg s THR 32 Cb 0.00 -2.12 0.07 0.00 1.34 0.00 0.00 72.50 71.78 1hgg s THR 32 CO 0.00 -0.54 0.84 -0.83 -0.54 0.00 0.00 174.62 173.55 1hgg s GLY 33 N -3.34 -0.33 0.13 3.99 0.00 -0.52 -4.97 107.32 102.27 1hgg s GLY 33 Ca 0.24 0.35 0.05 0.00 0.00 0.00 0.00 44.72 45.36 1hgg s GLY 33 CO 0.08 0.10 -0.11 1.62 0.00 0.00 0.00 173.10 174.79 1hgg s GLN 34 N -3.42 1.00 -0.29 2.90 0.74 -1.26 -1.14 119.66 118.18 1hgg s GLN 34 Ca 0.08 -1.33 -0.15 0.00 0.05 0.00 0.00 55.36 54.01 1hgg s GLN 34 Cb -0.02 -0.67 0.15 0.00 1.10 0.00 0.00 33.01 33.57 1hgg s GLN 34 CO -0.02 0.10 0.95 0.00 -0.55 0.00 0.00 175.29 175.76 1hgg s ALA 35 N -2.82 -2.44 0.47 1.58 0.00 -0.09 -4.97 121.76 113.48 1hgg s ALA 35 Ca 0.12 2.15 -0.22 0.00 0.00 0.00 0.00 51.96 54.01 1hgg s ALA 35 Cb -0.01 -1.86 -0.08 0.00 0.00 0.00 0.00 23.12 21.18 1hgg s ALA 35 CO 0.01 -0.66 1.11 0.00 0.00 0.00 0.00 175.76 176.22 1hgg s ALA 36 N 1.96 2.93 -0.26 0.00 0.00 -1.26 -0.75 121.76 124.38 1hgg s ALA 36 Ca -0.06 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1hgg s ALA 36 Cb -0.05 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1hgg s ALA 36 CO -0.17 -0.52 0.50 0.34 0.00 0.00 0.00 175.76 175.92 1hgg s ASP 37 N -1.59 6.43 0.19 0.00 2.15 0.95 -4.84 116.67 119.96 1hgg s ASP 37 Ca 0.65 0.51 0.23 0.00 0.43 0.00 0.00 52.55 54.37 1hgg s ASP 37 Cb -0.24 -2.28 0.20 0.00 -0.30 0.00 0.00 42.92 40.30 1hgg s ASP 37 CO 0.29 -0.27 1.23 -0.07 -0.17 0.00 0.00 175.17 176.18 1hgg h LEU 38 N 8.72 0.00 -0.12 -1.34 3.38 -1.94 -3.07 115.31 120.94 1hgg h LEU 38 Ca -0.29 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 1hgg h LEU 38 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1hgg h LEU 38 CO 0.71 0.05 -0.32 0.11 0.09 0.00 0.00 178.44 179.08 1hgg h LYS 39 N 0.00 0.44 -0.15 1.13 1.57 -1.97 -1.03 116.57 116.56 1hgg h LYS 39 Ca 0.00 -0.31 -0.20 0.00 -1.87 0.00 0.00 60.65 58.27 1hgg h LYS 39 Cb 0.88 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1hgg h LYS 39 CO 0.00 0.92 -0.73 0.66 -0.57 0.00 0.00 179.45 179.73 1hgg h SER 40 N 0.02 0.79 -0.68 0.86 4.64 -1.96 -1.35 113.55 115.88 1hgg h SER 40 Ca -0.01 -0.50 0.08 0.00 -0.47 0.00 0.00 61.79 60.89 1hgg h SER 40 Cb 0.94 -0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 1hgg h SER 40 CO 0.07 1.28 0.34 0.74 -0.87 0.00 0.00 176.83 178.39 1hgg h THR 41 N 0.47 0.88 -0.42 2.95 2.02 -1.53 -0.89 112.91 116.39 1hgg h THR 41 Ca -0.04 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1hgg h THR 41 Cb 1.34 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1hgg h THR 41 CO 0.14 0.11 -0.07 -0.61 0.37 0.00 0.00 175.52 175.46 1hgg h GLN 42 N 0.60 0.79 -0.29 6.66 5.75 -1.02 -1.15 115.11 126.45 1hgg h GLN 42 Ca 0.32 -0.29 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 1hgg h GLN 42 Cb 0.31 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 1hgg h GLN 42 CO -0.24 0.90 -0.00 0.00 -2.65 0.00 0.00 178.83 176.83 1hgg h ALA 43 N 0.86 0.25 -0.49 3.38 0.00 -0.64 0.21 119.26 122.83 1hgg h ALA 43 Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1hgg h ALA 43 Cb 0.59 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1hgg h ALA 43 CO 0.04 -0.41 0.24 0.00 0.00 0.00 0.00 179.25 179.12 1hgg h ALA 44 N 1.25 0.63 -0.36 0.00 0.00 -1.06 -2.64 119.26 117.08 1hgg h ALA 44 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1hgg h ALA 44 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1hgg h ALA 44 CO -0.23 0.19 -0.02 0.82 0.00 0.00 0.00 179.25 180.00 1hgg h ILE 45 N 0.65 1.26 -0.77 0.00 2.04 -0.14 -2.24 117.51 118.32 1hgg h ILE 45 Ca 0.17 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1hgg h ILE 45 Cb 0.10 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1hgg h ILE 45 CO -0.02 0.34 0.49 0.44 0.00 0.00 0.00 178.15 179.40 1hgg h ASP 46 N 0.45 0.81 0.20 1.72 3.32 -0.62 0.23 116.42 122.54 1hgg h ASP 46 Ca 0.10 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1hgg h ASP 46 Cb 0.49 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1hgg h ASP 46 CO 0.02 0.56 -0.10 1.56 -1.72 0.00 0.00 179.24 179.56 1hgg h GLN 47 N 0.95 -0.26 -0.85 3.56 4.20 -1.29 -0.73 115.11 120.69 1hgg h GLN 47 Ca 0.31 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.09 1hgg h GLN 47 Cb 0.02 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 1hgg h GLN 47 CO -0.11 -0.05 0.55 0.82 -0.67 0.00 0.00 178.83 179.37 1hgg h ILE 48 N -0.43 1.09 -0.01 2.54 2.04 -1.17 -0.20 117.51 121.37 1hgg h ILE 48 Ca -0.03 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1hgg h ILE 48 Cb 0.33 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1hgg h ILE 48 CO 0.05 0.18 -0.51 0.78 0.00 0.00 0.00 178.15 178.65 1hgg h ASN 49 N 0.99 0.02 -0.06 1.72 -0.26 -0.70 0.19 115.58 117.47 1hgg h ASN 49 Ca 0.35 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.07 1hgg h ASN 49 Cb 0.14 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1hgg h ASN 49 CO -0.12 0.53 -0.00 1.23 -1.06 0.00 0.00 177.43 178.01 1hgg h GLY 50 N 1.52 0.12 0.46 2.83 0.00 0.44 -0.14 103.07 108.30 1hgg h GLY 50 Ca -0.00 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.32 1hgg h GLY 50 CO 0.07 0.08 0.23 1.70 0.00 0.00 0.00 176.54 178.62 1hgg h LYS 51 N -0.18 0.42 -0.67 4.80 3.64 -0.98 -1.98 116.57 121.62 1hgg h LYS 51 Ca 0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1hgg h LYS 51 Cb 0.34 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1hgg h LYS 51 CO 0.00 0.28 0.17 1.25 -2.27 0.00 0.00 179.45 178.88 1hgg h LEU 52 N 0.43 1.02 -0.58 5.20 5.85 -0.59 -2.95 115.31 123.68 1hgg h LEU 52 Ca 0.29 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 1hgg h LEU 52 Cb 0.32 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1hgg h LEU 52 CO -0.27 0.99 -0.48 0.78 -0.34 0.00 0.00 178.44 179.11 1hgg h ASN 53 N 1.00 0.62 -0.48 1.25 2.35 -0.31 -2.61 115.58 117.40 1hgg h ASN 53 Ca 0.21 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1hgg h ASN 53 Cb 0.36 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1hgg h ASN 53 CO 0.00 1.00 0.23 -0.09 -1.65 0.00 0.00 177.43 176.92 1hgg h ARG 54 N 0.45 0.74 0.00 0.81 9.65 -1.25 -0.46 114.38 124.33 1hgg h ARG 54 Ca 0.02 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1hgg h ARG 54 Cb 1.01 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.44 1hgg h ARG 54 CO 0.09 0.59 -0.10 0.28 2.80 0.00 0.00 179.97 183.63 1hgg h VAL 55 N 0.74 0.22 -0.26 0.20 2.07 -1.34 -2.84 116.25 115.03 1hgg h VAL 55 Ca 0.18 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1hgg h VAL 55 Cb 0.11 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1hgg h VAL 55 CO -0.02 0.10 0.00 -0.38 0.02 0.00 0.00 177.57 177.29 1hgg n ILE 56 N -3.18 0.33 -1.68 4.57 5.41 -0.26 -4.95 119.36 119.61 1hgg n ILE 56 Ca 0.02 -0.66 -0.43 0.00 1.00 0.00 0.00 62.75 62.67 1hgg n ILE 56 Cb 0.45 1.17 -0.03 0.00 -0.71 0.00 0.00 39.64 40.51 1hgg n ILE 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1hgg n GLU 57 N 1.44 2.73 0.00 0.38 2.13 -0.73 -4.62 120.64 121.96 1hgg n GLU 57 Ca 0.17 1.00 0.00 0.00 0.66 0.00 0.00 57.16 58.99 1hgg n GLU 57 Cb 0.60 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.40 1hgg n GLU 57 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1hgg n LYS 58 N 6.51 0.00 -2.20 5.31 3.00 -1.26 -4.93 118.16 124.58 1hgg n LYS 58 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.09 1hgg n LYS 58 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.37 1hgg n LYS 58 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1hgg s THR 59 N 0.00 3.34 0.37 3.15 -4.23 -1.26 -4.99 115.64 112.01 1hgg s THR 59 Ca 0.00 0.99 -0.22 0.00 -1.18 0.00 0.00 61.69 61.28 1hgg s THR 59 Cb 0.00 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.10 1hgg s THR 59 CO 0.00 0.09 0.90 0.54 -0.54 0.00 0.00 174.62 175.62 1hgg s ASN 60 N 0.94 7.05 0.01 3.99 4.22 -1.26 -5.04 114.94 124.85 1hgg s ASN 60 Ca 0.62 1.66 -0.01 0.00 -2.14 0.00 0.00 52.86 53.00 1hgg s ASN 60 Cb -0.36 -2.52 -0.04 0.00 1.28 0.00 0.00 41.25 39.61 1hgg s ASN 60 CO 0.32 -0.22 0.12 -1.83 -2.04 0.00 0.00 177.10 173.45 1hgg s GLU 61 N -2.71 3.18 -0.01 3.55 -1.05 -1.26 -5.10 118.70 115.30 1hgg s GLU 61 Ca 0.56 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 54.94 1hgg s GLU 61 Cb -0.13 -2.93 -0.00 0.00 -0.44 0.00 0.00 34.13 30.63 1hgg s GLU 61 CO 0.17 0.64 -0.08 0.15 0.95 0.00 0.00 175.26 177.10 1hgg s LYS 62 N -1.93 0.64 0.00 -4.83 -0.14 -1.26 -5.12 119.74 107.09 1hgg s LYS 62 Ca 0.26 -0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 1hgg s LYS 62 Cb -0.12 -0.61 0.00 0.00 -1.68 0.00 0.00 37.83 35.41 1hgg s LYS 62 CO 0.17 0.15 0.00 1.19 -0.76 0.00 0.00 175.35 176.10 1hgg n PHE 63 N 2.95 0.00 -1.72 3.18 3.72 -1.26 -5.02 117.46 119.32 1hgg n PHE 63 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 1hgg n PHE 63 Cb 0.57 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1hgg n PHE 63 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1hgg n HIS 64 N 0.00 2.75 0.00 1.38 -0.00 -1.26 -4.96 115.22 113.13 1hgg n HIS 64 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1hgg n HIS 64 Cb 0.00 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.18 1hgg n HIS 64 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1hgg n GLN 65 N 4.22 0.61 -3.93 1.57 6.02 -1.26 -5.15 117.38 119.46 1hgg n GLN 65 Ca 0.16 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.93 1hgg n GLN 65 Cb 0.35 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.56 1hgg n GLN 65 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1hgg s ILE 66 N 3.31 2.87 0.37 5.09 -4.36 -1.26 -5.09 121.20 122.12 1hgg s ILE 66 Ca 0.00 -1.56 -0.26 0.00 -0.26 0.00 0.00 60.65 58.57 1hgg s ILE 66 Cb 0.00 -3.02 -0.09 0.00 1.25 0.00 0.00 42.46 40.60 1hgg s ILE 66 CO 0.00 -0.10 1.12 -1.61 0.24 0.00 0.00 174.94 174.59 1hgg s GLU 67 N -3.95 4.24 -0.03 0.37 0.41 -1.26 -4.97 118.70 113.51 1hgg s GLU 67 Ca 0.41 1.75 0.05 0.00 -0.41 0.00 0.00 54.97 56.77 1hgg s GLU 67 Cb -0.02 -2.78 0.08 0.00 -1.78 0.00 0.00 34.13 29.63 1hgg s GLU 67 CO 0.25 -0.13 0.92 1.63 -0.49 0.00 0.00 175.26 177.44 1hgg n LYS 68 N 0.34 1.28 -3.76 1.61 5.02 -1.26 -4.88 118.16 116.51 1hgg n LYS 68 Ca 0.03 -1.46 -0.13 0.00 -2.02 0.00 0.00 58.31 54.73 1hgg n LYS 68 Cb 0.47 -0.92 -0.11 0.00 -0.02 0.00 0.00 35.03 34.45 1hgg n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hgg s GLU 69 N -1.07 0.41 -0.03 1.97 2.02 -1.26 -5.07 118.70 115.66 1hgg s GLU 69 Ca 0.08 0.41 -0.05 0.00 0.02 0.00 0.00 54.97 55.44 1hgg s GLU 69 Cb 0.07 0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.51 1hgg s GLU 69 CO 0.01 -0.06 0.12 -0.06 0.02 0.00 0.00 175.26 175.29 1hgg s PHE 70 N 0.06 -0.08 -0.07 1.61 0.08 -1.26 -5.07 117.98 113.25 1hgg s PHE 70 Ca -0.01 0.18 0.20 0.00 0.12 0.00 0.00 56.93 57.42 1hgg s PHE 70 Cb -0.03 0.01 -0.31 0.00 -0.57 0.00 0.00 43.02 42.13 1hgg s PHE 70 CO 0.01 -0.12 0.46 -1.13 -0.10 0.00 0.00 175.22 174.34 1hgg n SER 71 N 2.61 0.46 -4.86 1.36 3.41 -1.26 -5.02 113.62 110.33 1hgg n SER 71 Ca -0.15 -0.05 -0.24 0.00 -0.26 0.00 0.00 58.87 58.17 1hgg n SER 71 Cb 0.58 1.87 -0.03 0.00 -0.26 0.00 0.00 64.21 66.37 1hgg n SER 71 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hgg s GLU 72 N -3.36 2.34 -0.25 4.33 0.41 -1.26 -5.10 118.70 115.81 1hgg s GLU 72 Ca -0.07 -1.82 -0.07 0.00 -0.41 0.00 0.00 54.97 52.61 1hgg s GLU 72 Cb 0.13 -2.17 -0.02 0.00 -1.78 0.00 0.00 34.13 30.29 1hgg s GLU 72 CO 0.83 -0.36 0.06 0.08 -0.49 0.00 0.00 175.26 175.38 1hgg s VAL 73 N -2.63 4.12 -0.02 2.63 1.01 -1.26 -4.97 120.40 119.28 1hgg s VAL 73 Ca 0.40 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1hgg s VAL 73 Cb -0.01 -2.96 -0.10 0.00 0.00 0.00 0.00 36.38 33.32 1hgg s VAL 73 CO 0.24 0.30 0.12 -0.62 0.00 0.00 0.00 175.10 175.14 1hgg n GLU 74 N 4.90 0.75 0.00 2.72 1.02 -1.26 -5.11 120.64 123.66 1hgg n GLU 74 Ca -0.16 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1hgg n GLU 74 Cb 0.51 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1hgg n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hgg n GLY 75 N 2.23 0.84 0.41 0.62 0.00 -1.26 -4.73 105.19 103.30 1hgg n GLY 75 Ca -0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1hgg n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hgg h ARG 76 N 0.00 -0.32 -0.33 1.61 2.43 -1.99 0.16 114.38 115.94 1hgg h ARG 76 Ca 0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1hgg h ARG 76 Cb 0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1hgg h ARG 76 CO 0.00 -0.21 -0.21 0.97 -1.51 0.00 0.00 179.97 179.01 1hgg h ILE 77 N -0.33 1.26 0.00 1.20 6.09 -2.01 -2.66 117.51 121.07 1hgg h ILE 77 Ca 0.13 -1.25 -0.14 0.00 -1.37 0.00 0.00 64.86 62.22 1hgg h ILE 77 Cb 0.58 1.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 1hgg h ILE 77 CO -0.61 0.41 -0.66 -0.61 -3.07 0.00 0.00 178.15 173.61 1hgg h GLN 78 N 0.56 0.00 -0.30 2.19 4.15 -1.49 -1.43 115.11 118.79 1hgg h GLN 78 Ca 0.09 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1hgg h GLN 78 Cb 0.66 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1hgg h GLN 78 CO 0.05 0.66 -0.06 -0.44 -1.93 0.00 0.00 178.83 177.11 1hgg h ASP 79 N 0.00 0.46 0.02 -0.69 3.32 -0.72 -1.95 116.42 116.86 1hgg h ASP 79 Ca -0.01 -0.10 -0.27 0.00 0.02 0.00 0.00 57.03 56.68 1hgg h ASP 79 Cb 1.23 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.68 1hgg h ASP 79 CO 0.09 0.57 -1.06 0.25 -1.72 0.00 0.00 179.24 177.37 1hgg h LEU 80 N 0.46 0.90 -0.74 1.55 5.85 -1.05 -1.77 115.31 120.51 1hgg h LEU 80 Ca 0.09 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1hgg h LEU 80 Cb 0.40 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1hgg h LEU 80 CO 0.02 1.53 0.47 -0.33 -0.34 0.00 0.00 178.44 179.79 1hgg h GLU 81 N 0.38 0.99 -0.43 1.25 5.08 -1.08 0.29 114.58 121.06 1hgg h GLU 81 Ca -0.13 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1hgg h GLU 81 Cb 1.71 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1hgg h GLU 81 CO 0.21 0.67 -0.01 0.87 -1.00 0.00 0.00 179.01 179.75 1hgg h LYS 82 N 1.00 0.76 -0.59 2.33 1.57 -1.39 -2.93 116.57 117.32 1hgg h LYS 82 Ca 0.27 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1hgg h LYS 82 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1hgg h LYS 82 CO -0.05 0.84 0.03 -0.92 -0.57 0.00 0.00 179.45 178.77 1hgg h TYR 83 N 0.60 1.09 -0.44 -1.35 3.20 -0.69 -1.18 116.97 118.21 1hgg h TYR 83 Ca 0.12 -0.17 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1hgg h TYR 83 Cb 0.50 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1hgg h TYR 83 CO 0.04 0.96 0.28 0.28 -1.64 0.00 0.00 178.16 178.07 1hgg h VAL 84 N 0.94 1.09 -0.44 1.81 2.07 -0.95 -0.14 116.25 120.63 1hgg h VAL 84 Ca 0.17 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1hgg h VAL 84 Cb 0.51 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1hgg h VAL 84 CO 0.02 0.10 -0.10 -0.08 0.02 0.00 0.00 177.57 177.54 1hgg h GLU 85 N 0.56 0.84 -0.42 1.57 4.57 -1.31 -0.15 114.58 120.25 1hgg h GLU 85 Ca 0.16 -0.32 -0.14 0.00 -1.18 0.00 0.00 59.36 57.89 1hgg h GLU 85 Cb -0.04 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1hgg h GLU 85 CO -0.05 0.95 -0.27 0.22 -1.18 0.00 0.00 179.01 178.68 1hgg h ASP 86 N 0.67 0.94 1.15 1.04 3.58 -1.07 0.11 116.42 122.84 1hgg h ASP 86 Ca 0.11 -0.38 -0.03 0.00 0.42 0.00 0.00 57.03 57.16 1hgg h ASP 86 Cb 0.64 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1hgg h ASP 86 CO 0.04 1.15 -0.13 0.71 -2.88 0.00 0.00 179.24 178.13 1hgg h THR 87 N 0.77 0.30 -0.20 2.25 1.35 -0.85 -1.66 112.91 114.87 1hgg h THR 87 Ca 0.09 -0.95 -0.08 0.00 -0.55 0.00 0.00 66.41 64.91 1hgg h THR 87 Cb 0.84 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1hgg h THR 87 CO 0.07 0.13 -0.21 0.50 -0.25 0.00 0.00 175.52 175.77 1hgg h LYS 88 N 0.00 0.48 -0.51 4.72 3.64 0.39 -2.74 116.57 122.55 1hgg h LYS 88 Ca -0.00 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1hgg h LYS 88 Cb 0.74 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1hgg h LYS 88 CO 0.02 0.84 0.20 0.82 -2.27 0.00 0.00 179.45 179.06 1hgg h ILE 89 N 0.15 1.22 -0.55 2.00 2.04 -0.45 -0.10 117.51 121.82 1hgg h ILE 89 Ca 0.03 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1hgg h ILE 89 Cb 0.75 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1hgg h ILE 89 CO 0.05 0.25 0.21 0.44 0.00 0.00 0.00 178.15 179.10 1hgg h ASP 90 N 0.69 0.73 -0.24 1.72 3.32 -1.37 0.89 116.42 122.16 1hgg h ASP 90 Ca 0.17 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1hgg h ASP 90 Cb 0.20 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1hgg h ASP 90 CO -0.01 0.66 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.90 1hgg h LEU 91 N 0.79 0.58 -1.29 1.55 3.38 -1.04 -0.97 115.31 118.32 1hgg h LEU 91 Ca 0.19 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1hgg h LEU 91 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1hgg h LEU 91 CO -0.02 0.92 -0.35 -0.50 0.09 0.00 0.00 178.44 178.58 1hgg h TRP 92 N 0.26 0.00 -0.16 1.13 4.06 -0.75 -1.71 115.95 118.78 1hgg h TRP 92 Ca 0.04 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.84 1hgg h TRP 92 Cb 0.74 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.89 1hgg h TRP 92 CO 0.07 0.35 -0.53 0.77 -3.56 0.00 0.00 178.44 175.54 1hgg h SER 93 N 0.00 0.51 -0.01 -3.49 0.02 -0.42 -1.35 113.55 108.81 1hgg h SER 93 Ca -0.00 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1hgg h SER 93 Cb 0.65 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1hgg h SER 93 CO 0.05 0.95 0.01 0.22 -1.14 0.00 0.00 176.83 176.91 1hgg h TYR 94 N 0.36 0.02 -0.88 3.45 5.03 -0.91 -1.63 116.97 122.41 1hgg h TYR 94 Ca 0.01 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1hgg h TYR 94 Cb 1.05 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 39.27 1hgg h TYR 94 CO 0.04 0.18 0.56 -0.91 -1.32 0.00 0.00 178.16 176.70 1hgg h ASN 95 N -0.14 0.88 -0.21 -2.11 4.21 -0.96 -0.92 115.58 116.33 1hgg h ASN 95 Ca 0.00 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1hgg h ASN 95 Cb 0.17 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1hgg h ASN 95 CO -0.00 0.57 0.07 0.00 -1.29 0.00 0.00 177.43 176.78 1hgg h ALA 96 N 1.41 0.27 -0.74 -0.83 0.00 -0.92 -0.05 119.26 118.40 1hgg h ALA 96 Ca 0.38 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1hgg h ALA 96 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1hgg h ALA 96 CO -0.17 -0.11 0.34 1.49 0.00 0.00 0.00 179.25 180.80 1hgg h GLU 97 N 0.16 1.06 -0.00 0.00 4.57 -0.91 -1.17 114.58 118.29 1hgg h GLU 97 Ca 0.07 -0.15 -0.22 0.00 -1.18 0.00 0.00 59.36 57.87 1hgg h GLU 97 Cb 0.22 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1hgg h GLU 97 CO -0.00 0.83 -0.94 1.25 -1.18 0.00 0.00 179.01 178.97 1hgg h LEU 98 N 1.05 0.52 0.40 1.64 5.85 -1.09 -2.82 115.31 120.86 1hgg h LEU 98 Ca 0.25 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1hgg h LEU 98 Cb 0.13 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1hgg h LEU 98 CO -0.03 1.21 -0.19 0.25 -0.34 0.00 0.00 178.44 179.34 1hgg h LEU 99 N 0.23 -0.45 -1.20 2.25 5.85 -0.24 -0.65 115.31 121.09 1hgg h LEU 99 Ca -0.08 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1hgg h LEU 99 Cb 1.57 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1hgg h LEU 99 CO 0.16 -0.29 -0.14 -0.37 -0.34 0.00 0.00 178.44 177.47 1hgg h VAL 100 N -0.59 1.22 -0.35 1.05 -1.51 -1.34 -1.55 116.25 113.18 1hgg h VAL 100 Ca -0.05 -0.95 -0.01 0.00 -1.23 0.00 0.00 66.70 64.45 1hgg h VAL 100 Cb 0.44 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 1hgg h VAL 100 CO 0.09 0.30 0.20 0.00 -1.23 0.00 0.00 177.57 176.93 1hgg h ALA 101 N 1.51 0.44 0.20 5.19 0.00 -1.19 0.57 119.26 125.98 1hgg h ALA 101 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hgg h ALA 101 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hgg h ALA 101 CO 0.03 -0.04 -0.10 -0.07 0.00 0.00 0.00 179.25 179.07 1hgg h LEU 102 N 0.44 -0.23 -0.76 0.00 3.38 -0.68 -2.43 115.31 115.03 1hgg h LEU 102 Ca 0.12 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.09 1hgg h LEU 102 Cb 0.04 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 1hgg h LEU 102 CO -0.02 0.04 0.22 -0.33 0.09 0.00 0.00 178.44 178.44 1hgg h GLU 103 N -0.51 0.30 -0.39 1.13 4.39 -1.15 -0.83 114.58 117.52 1hgg h GLU 103 Ca -0.03 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1hgg h GLU 103 Cb 0.38 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1hgg h GLU 103 CO 0.05 0.20 -0.35 -0.91 -1.16 0.00 0.00 179.01 176.84 1hgg h ASN 104 N 0.31 0.95 -0.50 1.42 2.35 -0.73 0.95 115.58 120.33 1hgg h ASN 104 Ca 0.44 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1hgg h ASN 104 Cb 0.74 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1hgg h ASN 104 CO -0.50 1.20 0.20 -0.61 -1.65 0.00 0.00 177.43 176.08 1hgg h GLN 105 N 0.74 0.75 -0.55 0.81 5.75 -0.86 -1.64 115.11 120.12 1hgg h GLN 105 Ca 0.07 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 1hgg h GLN 105 Cb 0.93 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 1hgg h GLN 105 CO 0.09 0.66 0.00 1.25 -2.65 0.00 0.00 178.83 178.18 1hgg h HIS 106 N 0.67 1.01 -0.30 3.99 2.76 -0.56 -1.83 115.15 120.88 1hgg h HIS 106 Ca 0.17 -0.16 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1hgg h HIS 106 Cb 0.19 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1hgg h HIS 106 CO 0.00 0.91 -0.02 1.15 -1.30 0.00 0.00 177.93 178.66 1hgg h THR 107 N 0.86 1.27 -0.52 6.26 2.02 -0.29 0.19 112.91 122.71 1hgg h THR 107 Ca 0.16 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1hgg h THR 107 Cb 0.51 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1hgg h THR 107 CO 0.02 0.32 0.19 0.40 0.37 0.00 0.00 175.52 176.82 1hgg h ILE 108 N 0.34 1.20 -0.14 3.11 2.04 -1.08 -1.20 117.51 121.78 1hgg h ILE 108 Ca 0.08 -0.64 -0.22 0.00 1.00 0.00 0.00 64.86 65.09 1hgg h ILE 108 Cb 0.48 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1hgg h ILE 108 CO 0.02 0.25 -0.78 0.44 0.00 0.00 0.00 178.15 178.08 1hgg h ASP 109 N 0.74 0.86 -0.48 1.72 3.32 -0.94 -2.38 116.42 119.26 1hgg h ASP 109 Ca 0.18 -0.57 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1hgg h ASP 109 Cb 0.18 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1hgg h ASP 109 CO -0.01 1.36 0.27 0.25 -1.72 0.00 0.00 179.24 179.38 1hgg h LEU 110 N 0.49 0.41 -0.62 1.55 6.46 -0.27 0.19 115.31 123.53 1hgg h LEU 110 Ca -0.05 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.57 1hgg h LEU 110 Cb 1.40 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.25 1hgg h LEU 110 CO 0.16 0.29 -0.60 0.71 -0.62 0.00 0.00 178.44 178.38 1hgg h THR 111 N 0.53 1.37 -0.93 1.05 1.35 -1.26 -1.81 112.91 113.21 1hgg h THR 111 Ca 0.20 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1hgg h THR 111 Cb 0.05 1.97 -0.05 0.00 -1.73 0.00 0.00 68.15 68.40 1hgg h THR 111 CO -0.11 0.58 0.59 -0.78 -0.25 0.00 0.00 175.52 175.55 1hgg h ASP 112 N 0.22 1.10 0.69 5.36 3.58 -0.85 -2.13 116.42 124.38 1hgg h ASP 112 Ca -0.01 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1hgg h ASP 112 Cb 1.12 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.89 1hgg h ASP 112 CO 0.10 0.82 -0.41 -1.28 -2.88 0.00 0.00 179.24 175.59 1hgg h SER 113 N 1.27 -1.02 -0.97 2.28 0.87 -0.34 -1.38 113.55 114.26 1hgg h SER 113 Ca 0.34 0.06 0.13 0.00 -1.23 0.00 0.00 61.79 61.08 1hgg h SER 113 Cb -0.10 0.29 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 1hgg h SER 113 CO -0.07 -0.64 0.62 -0.33 -0.53 0.00 0.00 176.83 175.88 1hgg h GLU 114 N -1.02 0.89 0.42 2.24 4.39 -1.11 0.24 114.58 120.63 1hgg h GLU 114 Ca -0.09 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1hgg h GLU 114 Cb 0.82 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1hgg h GLU 114 CO 0.10 0.59 -0.20 1.98 -1.16 0.00 0.00 179.01 180.32 1hgg h MET 115 N 0.92 -0.54 -0.94 2.33 4.05 -1.14 -1.49 114.93 118.12 1hgg h MET 115 Ca 0.48 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.97 1hgg h MET 115 Cb 0.54 0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 1hgg h MET 115 CO -0.25 -0.33 0.62 -0.97 0.23 0.00 0.00 176.91 176.20 1hgg h ASN 116 N -0.61 1.03 -0.76 1.39 -1.24 -0.41 -1.38 115.58 113.60 1hgg h ASN 116 Ca -0.06 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 1hgg h ASN 116 Cb 0.46 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 1hgg h ASN 116 CO 0.09 0.71 0.37 0.11 -1.29 0.00 0.00 177.43 177.42 1hgg h LYS 117 N 1.19 1.11 -0.62 6.67 1.57 -0.18 -0.67 116.57 125.64 1hgg h LYS 117 Ca 0.37 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1hgg h LYS 117 Cb -0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1hgg h LYS 117 CO -0.11 0.86 0.05 1.25 -0.57 0.00 0.00 179.45 180.93 1hgg h LEU 118 N 1.10 1.02 0.12 2.94 5.85 -0.26 -0.17 115.31 125.91 1hgg h LEU 118 Ca 0.27 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1hgg h LEU 118 Cb 0.12 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1hgg h LEU 118 CO -0.03 1.05 -0.06 0.15 -0.34 0.00 0.00 178.44 179.21 1hgg h PHE 119 N 0.98 -0.15 -0.85 1.25 3.57 -0.58 -0.95 116.94 120.22 1hgg h PHE 119 Ca 0.18 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1hgg h PHE 119 Cb 0.49 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1hgg h PHE 119 CO 0.03 -0.04 0.56 0.93 -2.23 0.00 0.00 178.31 177.56 1hgg h GLU 120 N -0.22 1.03 -0.16 1.11 4.39 -0.75 -0.79 114.58 119.19 1hgg h GLU 120 Ca -0.02 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1hgg h GLU 120 Cb 0.17 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1hgg h GLU 120 CO 0.03 0.68 0.02 -0.22 -1.16 0.00 0.00 179.01 178.36 1hgg h LYS 121 N 1.06 0.28 -0.74 2.33 3.64 -0.79 -1.31 116.57 121.04 1hgg h LYS 121 Ca 0.33 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1hgg h LYS 121 Cb 0.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1hgg h LYS 121 CO -0.09 0.47 0.24 1.15 -2.27 0.00 0.00 179.45 178.95 1hgg h THR 122 N 0.05 1.26 0.13 1.00 2.02 -0.46 -2.46 112.91 114.45 1hgg h THR 122 Ca 0.05 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.34 1hgg h THR 122 Cb 0.34 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1hgg h THR 122 CO 0.01 0.36 -0.38 -0.09 0.37 0.00 0.00 175.52 175.79 1hgg h ARG 123 N 1.10 -0.59 -0.93 6.66 2.43 -0.97 -1.97 114.38 120.11 1hgg h ARG 123 Ca 0.24 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.58 1hgg h ARG 123 Cb 0.30 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 1hgg h ARG 123 CO -0.01 -0.39 0.59 0.00 -1.51 0.00 0.00 179.97 178.65 1hgg h ARG 124 N -0.61 0.81 -0.26 0.20 3.08 -1.04 -1.91 114.38 114.64 1hgg h ARG 124 Ca 0.02 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1hgg h ARG 124 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1hgg h ARG 124 CO -0.21 0.54 -0.15 0.37 -1.07 0.00 0.00 179.97 179.45 1hgg h GLN 125 N 0.84 0.56 0.00 0.04 4.15 -0.99 -3.16 115.11 116.55 1hgg h GLN 125 Ca 0.46 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1hgg h GLN 125 Cb 0.58 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1hgg h GLN 125 CO -0.22 0.82 0.00 -0.07 -1.93 0.00 0.00 178.83 177.43 1hgg h LEU 126 N 0.29 0.00 0.00 -2.39 3.38 -0.61 -3.42 115.31 112.57 1hgg h LEU 126 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1hgg h LEU 126 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1hgg h LEU 126 CO 0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.11 1hgg n ARG 127 N -2.63 0.00 0.00 1.13 5.12 -1.09 -1.88 116.66 117.32 1hgg n ARG 127 Ca 0.01 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.99 1hgg n ARG 127 Cb 0.22 0.00 0.39 0.00 -1.16 0.00 0.00 32.46 31.90 1hgg n ARG 127 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1hgg n GLU 128 N 14.00 0.85 0.00 5.56 4.07 -1.26 -3.81 120.64 140.05 1hgg n GLU 128 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 1hgg n GLU 128 Cb 0.00 -1.24 0.20 0.00 -0.06 0.00 0.00 31.44 30.34 1hgg n GLU 128 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1hgg n ASN 129 N -0.74 1.74 -4.03 4.31 4.13 -0.79 -4.70 115.26 115.18 1hgg n ASN 129 Ca 0.10 -1.36 -0.09 0.00 1.68 0.00 0.00 54.58 54.92 1hgg n ASN 129 Cb 0.04 0.25 -0.09 0.00 -1.54 0.00 0.00 39.78 38.45 1hgg n ASN 129 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hgg s ALA 130 N -2.38 0.37 0.02 5.41 0.00 -1.25 -0.97 121.76 122.96 1hgg s ALA 130 Ca 0.24 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 51.15 1hgg s ALA 130 Cb 0.19 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1hgg s ALA 130 CO 0.50 -0.49 -0.18 -1.21 0.00 0.00 0.00 175.76 174.38 1hgg s GLU 131 N -3.95 1.32 -0.39 0.00 2.02 -0.51 -4.94 118.70 112.24 1hgg s GLU 131 Ca 0.13 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1hgg s GLU 131 Cb 0.06 -1.34 0.02 0.00 0.10 0.00 0.00 34.13 32.97 1hgg s GLU 131 CO -0.05 0.35 1.20 -2.00 0.02 0.00 0.00 175.26 174.78 1hgg s GLU 132 N -0.81 3.82 0.00 1.61 2.12 -1.26 -0.75 118.70 123.42 1hgg s GLU 132 Ca 0.06 0.89 0.12 0.00 0.36 0.00 0.00 54.97 56.40 1hgg s GLU 132 Cb -0.08 -3.88 0.72 0.00 0.26 0.00 0.00 34.13 31.15 1hgg s GLU 132 CO 0.01 -1.24 1.17 -1.33 -0.54 0.00 0.00 175.26 173.32 1hgg n MET 133 N 7.54 0.55 -0.99 4.30 2.81 -0.14 -4.87 117.12 126.31 1hgg n MET 133 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1hgg n MET 133 Cb 0.48 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1hgg n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hgg n GLY 134 N 0.08 0.43 0.84 3.03 0.00 -1.26 -4.82 105.19 103.50 1hgg n GLY 134 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1hgg n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hgg n ASN 135 N -0.18 1.39 0.00 1.61 6.94 -1.26 -4.91 115.26 118.85 1hgg n ASN 135 Ca 0.00 -3.00 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 1hgg n ASN 135 Cb 0.09 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 1hgg n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hgg n GLY 136 N -0.50 0.71 3.45 4.83 0.00 -1.26 -4.64 105.19 107.77 1hgg n GLY 136 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1hgg n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgg s PHE 138 N 0.19 3.59 -0.46 0.00 0.08 -1.26 -0.97 117.98 119.15 1hgg s PHE 138 Ca -0.05 0.91 -0.25 0.00 0.12 0.00 0.00 56.93 57.67 1hgg s PHE 138 Cb -0.14 -2.45 0.03 0.00 -0.57 0.00 0.00 43.02 39.88 1hgg s PHE 138 CO 0.04 0.34 0.89 0.21 -0.10 0.00 0.00 175.22 176.60 1hgg s LYS 139 N -0.00 3.51 -0.11 0.44 2.47 0.07 -4.91 119.74 121.20 1hgg s LYS 139 Ca 0.24 0.10 -0.23 0.00 -1.56 0.00 0.00 55.97 54.53 1hgg s LYS 139 Cb -0.16 -3.93 -0.03 0.00 -1.46 0.00 0.00 37.83 32.26 1hgg s LYS 139 CO 0.11 -1.19 0.71 0.42 0.16 0.00 0.00 175.35 175.56 1hgg s ILE 140 N 3.62 5.01 -0.91 5.43 1.01 -1.26 -1.42 121.20 132.68 1hgg s ILE 140 Ca 0.35 1.42 -0.02 0.00 0.00 0.00 0.00 60.65 62.40 1hgg s ILE 140 Cb -0.11 -4.04 0.30 0.00 0.01 0.00 0.00 42.46 38.63 1hgg s ILE 140 CO 0.25 0.19 2.04 -1.22 0.00 0.00 0.00 174.94 176.19 1hgg n TYR 141 N 4.28 2.77 -3.62 3.97 4.01 -0.14 -4.92 117.16 123.51 1hgg n TYR 141 Ca -0.00 -2.40 -0.05 0.00 -0.16 0.00 0.00 57.90 55.29 1hgg n TYR 141 Cb 0.51 -1.24 -0.02 0.00 -0.31 0.00 0.00 39.34 38.28 1hgg n TYR 141 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1hgg s HIS 142 N -3.82 -0.19 -0.03 -0.72 -3.43 -1.26 -3.46 115.29 102.37 1hgg s HIS 142 Ca 0.48 0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 54.46 1hgg s HIS 142 Cb 0.33 0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 31.99 1hgg s HIS 142 CO -0.28 -0.55 1.62 0.21 -2.00 0.00 0.00 174.74 173.75 1hgg s LYS 143 N -2.96 4.19 -0.35 -0.38 2.20 -1.26 -4.95 119.74 116.24 1hgg s LYS 143 Ca 0.10 2.19 0.01 0.00 -0.36 0.00 0.00 55.97 57.90 1hgg s LYS 143 Cb -0.00 -3.88 0.11 0.00 -1.51 0.00 0.00 37.83 32.55 1hgg s LYS 143 CO -0.04 -0.80 0.13 0.00 -0.36 0.00 0.00 175.35 174.29 1hgg n ASP 145 N 4.40 -1.31 0.06 0.00 5.68 -1.26 -3.70 116.55 120.42 1hgg n ASP 145 Ca 0.02 -1.14 0.06 0.00 -0.50 0.00 0.00 54.79 53.23 1hgg n ASP 145 Cb 0.40 -0.81 0.50 0.00 -1.14 0.00 0.00 41.12 40.06 1hgg n ASP 145 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1hgg h ASN 146 N -2.11 0.32 0.68 -1.12 2.35 -1.97 -1.03 115.58 112.70 1hgg h ASN 146 Ca -0.34 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.22 1hgg h ASN 146 Cb 1.00 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 1hgg h ASN 146 CO 0.22 0.23 -0.86 0.00 -1.65 0.00 0.00 177.43 175.38 1hgg h ALA 147 N 1.80 0.57 0.57 -0.83 0.00 -1.98 -0.26 119.26 119.13 1hgg h ALA 147 Ca 0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1hgg h ALA 147 Cb 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hgg h ALA 147 CO -0.03 0.96 -0.27 0.00 0.00 0.00 0.00 179.25 179.91 1hgg h ILE 149 N -0.84 0.68 -0.94 0.00 1.08 -1.12 0.15 117.51 116.52 1hgg h ILE 149 Ca -0.08 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1hgg h ILE 149 Cb 0.61 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.46 1hgg h ILE 149 CO 0.13 0.09 0.62 -0.08 -0.69 0.00 0.00 178.15 178.22 1hgg h GLU 150 N 0.49 1.24 -0.01 2.37 4.22 -0.82 -1.87 114.58 120.21 1hgg h GLU 150 Ca 0.42 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.71 1hgg h GLU 150 Cb 0.62 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1hgg h GLU 150 CO -0.39 0.82 -0.37 0.66 -2.18 0.00 0.00 179.01 177.55 1hgg h SER 151 N 1.28 0.01 -0.18 1.04 4.64 0.12 0.59 113.55 121.06 1hgg h SER 151 Ca 0.35 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 1hgg h SER 151 Cb -0.15 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1hgg h SER 151 CO -0.07 0.39 -0.04 0.40 -0.87 0.00 0.00 176.83 176.63 1hgg h ILE 152 N 0.01 1.29 0.32 0.95 2.04 -0.90 0.21 117.51 121.43 1hgg h ILE 152 Ca -0.00 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1hgg h ILE 152 Cb 0.67 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1hgg h ILE 152 CO 0.05 0.30 -0.16 0.03 0.00 0.00 0.00 178.15 178.38 1hgg h ARG 153 N 0.05 -0.42 -0.18 2.37 3.08 -0.81 -2.47 114.38 116.00 1hgg h ARG 153 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1hgg h ARG 153 Cb 0.48 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1hgg h ARG 153 CO 0.02 -0.24 0.00 0.27 -1.07 0.00 0.00 179.97 178.95 1hgg n ASN 154 N -5.25 0.75 -0.50 7.04 0.23 0.15 -4.91 115.26 112.77 1hgg n ASN 154 Ca -0.10 -2.01 -0.06 0.00 -0.53 0.00 0.00 54.58 51.88 1hgg n ASN 154 Cb 0.21 -0.11 -0.02 0.00 -2.08 0.00 0.00 39.78 37.78 1hgg n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hgg n GLY 155 N 0.66 0.55 0.52 4.83 0.00 -0.43 -4.90 105.19 106.42 1hgg n GLY 155 Ca 0.04 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.36 1hgg n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hgg n THR 156 N -3.28 1.14 -1.77 2.61 -2.24 0.61 -5.01 114.28 106.34 1hgg n THR 156 Ca -0.06 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.19 1hgg n THR 156 Cb 0.32 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1hgg n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1hgg s TYR 157 N -1.21 1.80 -0.44 4.78 5.04 -0.78 -4.94 117.35 121.60 1hgg s TYR 157 Ca 0.21 -0.12 -0.18 0.00 -2.44 0.00 0.00 57.07 54.53 1hgg s TYR 157 Cb 0.12 -4.14 0.03 0.00 0.35 0.00 0.00 41.96 38.32 1hgg s TYR 157 CO 0.12 -4.87 0.50 0.34 -1.34 0.00 0.00 175.55 170.30 1hgg s ASP 158 N 3.48 6.22 0.44 4.32 -1.08 -1.26 -4.93 116.67 123.86 1hgg s ASP 158 Ca 0.82 -0.68 0.16 0.00 -0.52 0.00 0.00 52.55 52.32 1hgg s ASP 158 Cb -0.42 -2.25 1.02 0.00 -1.46 0.00 0.00 42.92 39.81 1hgg s ASP 158 CO 0.37 -0.67 1.98 1.12 0.52 0.00 0.00 175.17 178.49 1hgg h HIS 159 N 8.80 0.00 -0.71 -5.34 2.07 -1.92 -2.72 115.15 115.33 1hgg h HIS 159 Ca -0.26 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.24 1hgg h HIS 159 Cb 1.11 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.05 1hgg h HIS 159 CO 0.66 0.21 0.40 -0.44 -3.07 0.00 0.00 177.93 175.68 1hgg h ASP 160 N 0.00 0.88 -1.28 3.10 3.32 -1.96 -0.51 116.42 119.97 1hgg h ASP 160 Ca -0.00 -0.09 0.37 0.00 0.02 0.00 0.00 57.03 57.33 1hgg h ASP 160 Cb 0.38 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1hgg h ASP 160 CO 0.03 0.71 0.95 0.58 -1.72 0.00 0.00 179.24 179.79 1hgg h VAL 161 N 0.97 0.31 0.00 -1.35 2.07 -1.91 -0.35 116.25 116.00 1hgg h VAL 161 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1hgg h VAL 161 Cb 0.02 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1hgg h VAL 161 CO -0.04 0.00 -0.01 -1.22 0.02 0.00 0.00 177.57 176.32 1hgg n TYR 162 N -4.07 0.00 -0.21 1.57 4.02 -0.31 -4.83 117.16 113.33 1hgg n TYR 162 Ca 0.28 -0.44 -0.07 0.00 -0.01 0.00 0.00 57.90 57.66 1hgg n TYR 162 Cb 1.37 -0.05 0.03 0.00 -0.02 0.00 0.00 39.34 40.67 1hgg n TYR 162 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1hgg h ARG 163 N 0.00 0.85 -0.39 -0.72 2.43 0.05 0.22 114.38 116.81 1hgg h ARG 163 Ca 0.00 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 1hgg h ARG 163 Cb 0.63 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1hgg h ARG 163 CO 0.00 0.66 -0.35 -0.44 -1.51 0.00 0.00 179.97 178.33 1hgg h ASP 164 N 0.81 0.98 -0.07 -3.80 3.32 -1.88 0.20 116.42 115.98 1hgg h ASP 164 Ca 0.21 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1hgg h ASP 164 Cb 0.07 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1hgg h ASP 164 CO -0.03 1.23 0.04 -0.08 -1.72 0.00 0.00 179.24 178.69 1hgg h GLU 165 N 0.74 0.10 -0.12 3.56 4.81 -1.85 -1.50 114.58 120.32 1hgg h GLU 165 Ca 0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1hgg h GLU 165 Cb 0.94 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1hgg h GLU 165 CO 0.09 0.12 0.07 0.00 -0.73 0.00 0.00 179.01 178.56 1hgg h ALA 166 N 0.98 0.15 -0.10 2.92 0.00 -0.78 -2.20 119.26 120.23 1hgg h ALA 166 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1hgg h ALA 166 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1hgg h ALA 166 CO -0.00 -0.33 -0.14 -0.07 0.00 0.00 0.00 179.25 178.70 1hgg h LEU 167 N 0.13 0.14 0.21 0.00 3.38 -0.40 0.19 115.31 118.96 1hgg h LEU 167 Ca 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1hgg h LEU 167 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1hgg h LEU 167 CO -0.01 0.30 -0.10 -1.13 0.09 0.00 0.00 178.44 177.59 1hgg h ASN 168 N 0.15 -0.24 -0.83 -0.43 -0.73 -1.04 -0.86 115.58 111.61 1hgg h ASN 168 Ca 0.03 -0.21 0.10 0.00 1.87 0.00 0.00 56.30 58.09 1hgg h ASN 168 Cb 0.35 0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.94 1hgg h ASN 168 CO 0.02 0.10 0.54 0.78 -0.37 0.00 0.00 177.43 178.50 1hgg h ASN 169 N -0.60 0.71 0.01 1.15 2.35 -0.90 -2.84 115.58 115.46 1hgg h ASN 169 Ca -0.03 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1hgg h ASN 169 Cb 0.44 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1hgg h ASN 169 CO 0.05 0.42 -0.49 -0.09 -1.65 0.00 0.00 177.43 175.66 1hgg h ARG 170 N 0.78 0.02 0.00 0.81 2.43 -0.90 -3.44 114.38 114.09 1hgg h ARG 170 Ca 0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1hgg h ARG 170 Cb 0.44 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1hgg h ARG 170 CO -0.15 1.01 0.00 1.19 -1.51 0.00 0.00 179.97 180.51 1hgg n PHE 171 N -4.51 0.00 0.00 2.20 3.72 -0.33 -4.79 117.46 113.74 1hgg n PHE 171 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1hgg n PHE 171 Cb 0.57 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1hgg n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hgg n GLN 172 N -1.58 0.00 0.00 -1.08 6.02 -1.08 -4.43 117.38 115.24 1hgg n GLN 172 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1hgg n GLN 172 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1hgg n GLN 172 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1hgg n ILE 173 N -3.63 0.00 -1.85 5.09 2.08 -1.25 -3.38 119.36 116.42 1hgg n ILE 173 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 1hgg n ILE 173 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 1hgg n ILE 173 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1hgg n LYS 174 N 0.00 0.00 0.00 0.38 2.85 -1.26 -5.19 118.16 114.94 1hgg n LYS 174 Ca 0.00 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.83 1hgg n LYS 174 Cb 0.00 0.27 0.00 0.00 -0.65 0.00 0.00 35.03 34.65 1hgg n LYS 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76