#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 -2.89 115.31 114.90 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 0.09 -1.50 0.49 0.09 0.00 0.00 178.44 177.61 1hgg n PHE 3 N -4.09 0.13 -1.17 1.13 3.72 -1.26 -4.97 117.46 110.95 1hgg n PHE 3 Ca -0.03 0.04 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1hgg n PHE 3 Cb 0.17 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.28 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 1.33 0.65 0.01 1.37 0.00 -1.09 -4.96 105.19 102.50 1hgg n GLY 4 Ca -0.01 -0.89 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 1hgg n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgg h ALA 5 N 0.01 0.00 -2.69 4.61 0.00 -1.88 0.22 119.26 119.54 1hgg h ALA 5 Ca -0.08 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 1hgg h ALA 5 Cb 0.31 0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.19 1hgg h ALA 5 CO 0.12 0.04 0.85 0.42 0.00 0.00 0.00 179.25 180.67 1hgg s ILE 6 N -1.10 2.51 -1.49 0.00 1.01 -1.26 -0.90 121.20 119.97 1hgg s ILE 6 Ca -0.01 0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.91 1hgg s ILE 6 Cb 0.00 -3.25 0.09 0.00 0.01 0.00 0.00 42.46 39.31 1hgg s ILE 6 CO 0.02 0.05 0.78 0.00 0.00 0.00 0.00 174.94 175.78 1hgg n ALA 7 N 3.12 -1.18 -2.00 9.38 0.00 -1.24 -3.77 120.51 124.82 1hgg n ALA 7 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1hgg n ALA 7 Cb 0.39 -3.79 0.00 0.00 0.00 0.00 0.00 19.45 16.05 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 -1.47 3.63 0.21 0.00 0.00 -0.08 -4.84 105.19 102.63 1hgg n GLY 8 Ca 0.02 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.55 1.61 -5.15 0.08 -3.33 116.94 106.59 1hgg h PHE 9 Ca 0.00 0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 57.07 1hgg h PHE 9 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 35.98 1hgg h PHE 9 CO 0.00 0.00 -0.28 0.42 -2.00 0.00 0.00 178.31 176.45 1hgg s ILE 10 N -3.50 5.15 0.38 0.88 1.01 -0.73 -4.05 121.20 120.35 1hgg s ILE 10 Ca 0.03 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.40 1hgg s ILE 10 Cb 0.09 -3.97 0.31 0.00 0.01 0.00 0.00 42.46 38.89 1hgg s ILE 10 CO 0.48 -0.34 1.95 -0.33 0.00 0.00 0.00 174.94 176.71 1hgg h GLU 11 N 8.66 0.62 -2.11 2.79 5.08 -1.84 -3.27 114.58 124.50 1hgg h GLU 11 Ca -0.27 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.26 1hgg h GLU 11 Cb 1.12 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.14 1hgg h GLU 11 CO 0.76 0.41 0.57 0.54 -1.00 0.00 0.00 179.01 180.29 1hgg s ASN 12 N -6.16 -0.16 0.77 1.42 4.22 -1.26 -4.75 114.94 109.02 1hgg s ASN 12 Ca -0.09 -0.32 -0.07 0.00 -2.14 0.00 0.00 52.86 50.24 1hgg s ASN 12 Cb 0.20 0.40 0.11 0.00 1.28 0.00 0.00 41.25 43.24 1hgg s ASN 12 CO 0.77 -0.73 1.08 -0.83 -2.04 0.00 0.00 177.10 175.34 1hgg s GLY 13 N -2.92 1.73 -0.29 0.45 0.00 -1.26 -5.00 107.32 100.03 1hgg s GLY 13 Ca 0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.63 1hgg s GLY 13 CO 0.00 -0.67 -0.02 -0.98 0.00 0.00 0.00 173.10 171.42 1hgg s TRP 14 N -3.36 3.26 0.31 1.90 0.51 -1.26 -4.93 118.94 115.37 1hgg s TRP 14 Ca 0.65 -1.96 0.25 0.00 -2.12 0.00 0.00 56.10 52.92 1hgg s TRP 14 Cb -0.08 -2.07 1.19 0.00 -0.81 0.00 0.00 33.47 31.70 1hgg s TRP 14 CO 0.46 -0.82 1.96 0.93 -0.51 0.00 0.00 176.95 178.97 1hgg h GLU 15 N 7.95 0.00 0.00 4.98 5.08 -2.04 -2.37 114.58 128.19 1hgg h GLU 15 Ca -0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1hgg h GLU 15 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1hgg h GLU 15 CO 0.52 0.19 -0.06 0.78 -1.00 0.00 0.00 179.01 179.43 1hgg h GLY 16 N 1.33 0.00 -6.30 -3.84 0.00 -2.04 -3.41 103.07 88.81 1hgg h GLY 16 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1hgg h GLY 16 CO 0.02 0.00 0.61 -0.29 0.00 0.00 0.00 176.54 176.88 1hgg s MET 17 N -4.51 3.86 0.00 4.80 -2.45 -0.89 -4.82 119.30 115.29 1hgg s MET 17 Ca -0.04 0.61 0.02 0.00 -1.25 0.00 0.00 55.69 55.03 1hgg s MET 17 Cb 0.15 -3.79 0.01 0.00 1.25 0.00 0.00 34.83 32.44 1hgg s MET 17 CO 0.59 -0.93 0.52 0.44 1.05 0.00 0.00 175.02 176.69 1hgg n ILE 18 N 5.95 0.00 -0.01 10.11 -5.35 -1.26 -4.64 119.36 124.15 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 1.04 0.22 0.00 -1.74 0.00 0.00 39.64 39.63 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 0.02 3.36 0.00 7.28 5.75 -1.26 -5.03 116.55 126.67 1hgg n ASP 19 Ca 0.01 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1hgg n ASP 19 Cb 0.04 -0.30 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 1.24 -1.38 0.09 6.12 0.00 -1.26 -4.79 105.19 105.21 1hgg n GLY 20 Ca 0.18 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 0.49 0.10 -4.27 1.61 7.02 -1.26 -4.96 117.44 116.17 1hgg n TRP 21 Ca 0.00 0.04 -0.17 0.00 -1.02 0.00 0.00 57.50 56.35 1hgg n TRP 21 Cb 0.00 -0.99 -0.10 0.00 -2.42 0.00 0.00 31.31 27.80 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 -2.57 1.43 -0.65 -5.99 2.02 -1.26 -5.02 117.35 105.32 1hgg s TYR 22 Ca -0.09 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1hgg s TYR 22 Cb 0.07 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1hgg s TYR 22 CO 0.83 0.18 0.00 0.41 -1.57 0.00 0.00 175.55 175.40 1hgg n GLY 23 N 0.08 -1.29 3.47 0.71 0.00 -1.26 0.11 105.19 107.00 1hgg n GLY 23 Ca -0.12 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.47 2.60 -0.08 1.61 0.40 0.27 -4.87 117.98 115.44 1hgg s PHE 24 Ca 0.00 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1hgg s PHE 24 Cb 0.00 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.03 1hgg s PHE 24 CO 0.00 0.25 -0.20 1.03 0.70 0.00 0.00 175.22 177.00 1hgg s ARG 25 N -1.33 2.41 0.42 0.44 0.52 -1.26 -0.89 118.95 119.27 1hgg s ARG 25 Ca 0.14 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.69 1hgg s ARG 25 Cb -0.11 -1.92 -0.06 0.00 0.52 0.00 0.00 34.95 33.39 1hgg s ARG 25 CO 0.05 0.17 0.02 -3.38 0.02 0.00 0.00 175.30 172.18 1hgg s HIS 26 N 0.32 2.27 -0.19 -0.53 -3.43 0.91 -4.95 115.29 109.69 1hgg s HIS 26 Ca -0.13 -0.80 -0.04 0.00 -0.80 0.00 0.00 55.06 53.29 1hgg s HIS 26 Cb -0.16 -1.65 0.09 0.00 -1.43 0.00 0.00 32.58 29.43 1hgg s HIS 26 CO 0.06 0.31 0.24 -1.14 -2.00 0.00 0.00 174.74 172.21 1hgg s GLN 27 N -3.77 0.19 0.00 -0.38 0.74 -1.26 -2.08 119.66 113.10 1hgg s GLN 27 Ca 0.28 0.36 0.00 0.00 0.05 0.00 0.00 55.36 56.05 1hgg s GLN 27 Cb 0.08 -0.86 0.00 0.00 1.10 0.00 0.00 33.01 33.33 1hgg s GLN 27 CO 0.14 -0.56 0.00 0.27 -0.55 0.00 0.00 175.29 174.59 1hgg n ASN 28 N 5.33 0.12 -0.23 6.67 6.94 0.12 -4.98 115.26 129.22 1hgg n ASN 28 Ca -0.05 -0.60 0.03 0.00 -0.02 0.00 0.00 54.58 53.94 1hgg n ASN 28 Cb 0.50 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 38.07 1hgg n ASN 28 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1hgg h SER 29 N 0.00 0.04 -0.30 0.53 0.02 -1.94 -0.43 113.55 111.47 1hgg h SER 29 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1hgg h SER 29 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1hgg h SER 29 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 1hgg n GLU 30 N -5.13 1.94 0.00 3.45 4.71 -1.26 -5.04 120.64 119.31 1hgg n GLU 30 Ca 0.12 -1.18 0.00 0.00 -0.01 0.00 0.00 57.16 56.09 1hgg n GLU 30 Cb 0.39 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 1hgg n GLU 30 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1hgg n GLY 31 N 0.84 0.15 3.28 0.62 0.00 -0.17 -5.04 105.19 104.86 1hgg n GLY 31 Ca 0.11 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 1hgg n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hgg s THR 32 N 0.00 1.66 0.06 2.61 2.01 -1.26 0.12 115.64 120.84 1hgg s THR 32 Ca 0.00 -1.52 -0.26 0.00 0.31 0.00 0.00 61.69 60.21 1hgg s THR 32 Cb 0.00 -1.51 0.09 0.00 0.01 0.00 0.00 72.50 71.08 1hgg s THR 32 CO 0.00 -0.07 0.74 -0.83 -0.69 0.00 0.00 174.62 173.76 1hgg s GLY 33 N -1.89 -0.54 0.19 4.40 0.00 -0.89 -4.96 107.32 103.63 1hgg s GLY 33 Ca 0.06 0.87 0.07 0.00 0.00 0.00 0.00 44.72 45.72 1hgg s GLY 33 CO 0.04 0.37 -0.15 1.62 0.00 0.00 0.00 173.10 174.98 1hgg s GLN 34 N -3.06 1.28 -0.29 2.90 0.74 -1.26 -0.06 119.66 119.90 1hgg s GLN 34 Ca 0.01 -1.53 -0.15 0.00 0.05 0.00 0.00 55.36 53.73 1hgg s GLN 34 Cb -0.01 -1.09 0.15 0.00 1.10 0.00 0.00 33.01 33.15 1hgg s GLN 34 CO -0.08 0.19 0.94 0.00 -0.55 0.00 0.00 175.29 175.79 1hgg s ALA 35 N -2.83 -2.37 0.43 1.58 0.00 -0.07 -4.96 121.76 113.53 1hgg s ALA 35 Ca 0.20 2.18 -0.23 0.00 0.00 0.00 0.00 51.96 54.11 1hgg s ALA 35 Cb -0.01 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 1hgg s ALA 35 CO 0.06 -0.57 1.07 0.00 0.00 0.00 0.00 175.76 176.32 1hgg s ALA 36 N 1.80 3.03 -0.27 0.00 0.00 -1.26 -0.57 121.76 124.48 1hgg s ALA 36 Ca -0.07 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.44 1hgg s ALA 36 Cb -0.05 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1hgg s ALA 36 CO -0.16 -0.32 0.53 0.34 0.00 0.00 0.00 175.76 176.14 1hgg s ASP 37 N -1.59 6.43 0.21 0.00 2.15 0.12 -4.85 116.67 119.15 1hgg s ASP 37 Ca 0.61 0.48 0.23 0.00 0.43 0.00 0.00 52.55 54.30 1hgg s ASP 37 Cb -0.22 -2.28 0.23 0.00 -0.30 0.00 0.00 42.92 40.34 1hgg s ASP 37 CO 0.28 -0.32 1.29 -0.07 -0.17 0.00 0.00 175.17 176.18 1hgg h LEU 38 N 8.83 0.00 -0.12 -1.34 3.38 -1.94 -3.04 115.31 121.09 1hgg h LEU 38 Ca -0.29 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 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 0.73 0.04 -0.31 0.11 0.09 0.00 0.00 178.44 179.09 1hgg h LYS 39 N 0.00 0.41 -0.15 1.13 1.57 -1.97 -0.87 116.57 116.69 1hgg h LYS 39 Ca 0.00 -0.29 -0.21 0.00 -1.87 0.00 0.00 60.65 58.28 1hgg h LYS 39 Cb 0.89 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1hgg h LYS 39 CO 0.00 0.91 -0.74 0.66 -0.57 0.00 0.00 179.45 179.71 1hgg h SER 40 N -0.01 0.83 -0.59 0.86 4.64 -1.96 -1.31 113.55 116.01 1hgg h SER 40 Ca -0.01 -0.53 0.08 0.00 -0.47 0.00 0.00 61.79 60.87 1hgg h SER 40 Cb 0.92 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.70 1hgg h SER 40 CO 0.07 1.31 0.23 0.74 -0.87 0.00 0.00 176.83 178.31 1hgg h THR 41 N 0.49 0.80 -0.39 2.95 2.02 -1.52 -0.71 112.91 116.55 1hgg h THR 41 Ca -0.04 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1hgg h THR 41 Cb 1.35 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1hgg h THR 41 CO 0.15 0.08 0.06 -0.61 0.37 0.00 0.00 175.52 175.56 1hgg h GLN 42 N 0.42 0.66 -0.37 6.66 5.75 -1.04 -0.91 115.11 126.28 1hgg h GLN 42 Ca 0.29 -0.18 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1hgg h GLN 42 Cb 0.33 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 1hgg h GLN 42 CO -0.28 0.71 0.05 0.00 -2.65 0.00 0.00 178.83 176.66 1hgg h ALA 43 N 0.92 0.38 -0.52 3.38 0.00 -0.66 0.17 119.26 122.93 1hgg h ALA 43 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1hgg h ALA 43 Cb 0.37 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1hgg h ALA 43 CO 0.01 -0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.14 1hgg h ALA 44 N 1.29 0.68 -0.36 0.00 0.00 -1.00 -2.72 119.26 117.15 1hgg h ALA 44 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1hgg h ALA 44 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1hgg h ALA 44 CO -0.26 0.26 0.03 0.82 0.00 0.00 0.00 179.25 180.10 1hgg h ILE 45 N 0.70 1.25 -0.69 0.00 2.04 0.02 -2.23 117.51 118.60 1hgg h ILE 45 Ca 0.18 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1hgg h ILE 45 Cb 0.15 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1hgg h ILE 45 CO -0.02 0.31 0.43 0.44 0.00 0.00 0.00 178.15 179.31 1hgg h ASP 46 N 0.44 0.71 0.18 1.72 3.32 -0.72 0.23 116.42 122.29 1hgg h ASP 46 Ca 0.10 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1hgg h ASP 46 Cb 0.41 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1hgg h ASP 46 CO 0.01 0.49 -0.08 1.56 -1.72 0.00 0.00 179.24 179.50 1hgg h GLN 47 N 0.84 -0.23 -0.73 3.56 4.20 -1.30 -0.54 115.11 120.91 1hgg h GLN 47 Ca 0.28 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.05 1hgg h GLN 47 Cb 0.02 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1hgg h GLN 47 CO -0.11 -0.01 0.48 0.82 -0.67 0.00 0.00 178.83 179.35 1hgg h ILE 48 N -0.42 1.05 -0.02 2.54 2.04 -1.19 -0.17 117.51 121.34 1hgg h ILE 48 Ca -0.02 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.43 1hgg h ILE 48 Cb 0.33 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1hgg h ILE 48 CO 0.04 0.15 -0.57 0.78 0.00 0.00 0.00 178.15 178.54 1hgg h ASN 49 N 0.81 0.08 -0.10 1.72 -0.26 -0.61 -0.22 115.58 116.99 1hgg h ASN 49 Ca 0.31 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.99 1hgg h ASN 49 Cb 0.19 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1hgg h ASN 49 CO -0.10 0.64 -0.00 1.23 -1.06 0.00 0.00 177.43 178.14 1hgg h GLY 50 N 1.64 0.19 0.46 2.83 0.00 0.56 -0.17 103.07 108.58 1hgg h GLY 50 Ca -0.00 -0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.26 1hgg h GLY 50 CO 0.08 0.13 0.18 1.70 0.00 0.00 0.00 176.54 178.63 1hgg h LYS 51 N -0.10 0.35 -0.66 4.80 3.64 -1.05 -2.13 116.57 121.42 1hgg h LYS 51 Ca 0.03 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1hgg h LYS 51 Cb 0.36 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1hgg h LYS 51 CO 0.01 0.23 0.21 1.25 -2.27 0.00 0.00 179.45 178.87 1hgg h LEU 52 N 0.36 0.96 -0.63 5.20 5.85 -0.65 -2.89 115.31 123.50 1hgg h LEU 52 Ca 0.26 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 1hgg h LEU 52 Cb 0.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1hgg h LEU 52 CO -0.27 0.91 -0.52 0.78 -0.34 0.00 0.00 178.44 179.00 1hgg h ASN 53 N 0.95 0.49 -0.41 1.25 2.35 -0.41 -2.68 115.58 117.12 1hgg h ASN 53 Ca 0.21 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1hgg h ASN 53 Cb 0.30 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1hgg h ASN 53 CO -0.01 0.92 0.13 -0.09 -1.65 0.00 0.00 177.43 176.74 1hgg h ARG 54 N 0.35 0.69 0.00 0.81 9.65 -1.22 -0.79 114.38 123.87 1hgg h ARG 54 Ca 0.01 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.74 1hgg h ARG 54 Cb 1.03 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 1hgg h ARG 54 CO 0.09 0.62 -0.17 0.28 2.80 0.00 0.00 179.97 183.58 1hgg h VAL 55 N 0.68 0.37 -0.27 0.20 2.07 -1.34 -2.86 116.25 115.10 1hgg h VAL 55 Ca 0.16 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1hgg h VAL 55 Cb 0.22 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1hgg h VAL 55 CO -0.01 0.17 0.00 -0.38 0.02 0.00 0.00 177.57 177.37 1hgg n ILE 56 N -3.25 0.33 -1.67 4.57 5.41 -0.37 -4.94 119.36 119.44 1hgg n ILE 56 Ca 0.01 -0.65 -0.43 0.00 1.00 0.00 0.00 62.75 62.69 1hgg n ILE 56 Cb 0.46 1.10 -0.03 0.00 -0.71 0.00 0.00 39.64 40.46 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 1.38 2.79 0.00 0.38 2.13 -0.77 -4.62 120.64 121.94 1hgg n GLU 57 Ca 0.18 1.02 0.00 0.00 0.66 0.00 0.00 57.16 59.02 1hgg n GLU 57 Cb 0.59 -2.95 0.00 0.00 0.27 0.00 0.00 31.44 29.35 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 6.73 0.00 -2.19 5.31 3.00 -1.26 -4.93 118.16 124.82 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 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.39 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 3.30 0.36 3.15 -4.23 -1.26 -5.00 115.64 111.96 1hgg s THR 59 Ca 0.00 0.96 -0.22 0.00 -1.18 0.00 0.00 61.69 61.25 1hgg s THR 59 Cb 0.00 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.12 1hgg s THR 59 CO 0.00 0.09 0.90 0.54 -0.54 0.00 0.00 174.62 175.61 1hgg s ASN 60 N 0.96 7.09 0.01 3.99 4.22 -1.26 -5.04 114.94 124.90 1hgg s ASN 60 Ca 0.63 1.68 -0.01 0.00 -2.14 0.00 0.00 52.86 53.02 1hgg s ASN 60 Cb -0.37 -2.53 -0.04 0.00 1.28 0.00 0.00 41.25 39.60 1hgg s ASN 60 CO 0.32 -0.19 0.13 -1.83 -2.04 0.00 0.00 177.10 173.48 1hgg s GLU 61 N -2.60 3.21 -0.01 3.55 -1.05 -1.26 -5.10 118.70 115.44 1hgg s GLU 61 Ca 0.55 -0.44 0.02 0.00 -0.15 0.00 0.00 54.97 54.95 1hgg s GLU 61 Cb -0.14 -2.94 -0.00 0.00 -0.44 0.00 0.00 34.13 30.60 1hgg s GLU 61 CO 0.18 0.65 -0.07 0.15 0.95 0.00 0.00 175.26 177.12 1hgg s LYS 62 N -1.94 0.62 0.00 -4.83 -0.14 -1.26 -5.12 119.74 107.08 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 -0.60 0.00 0.00 -1.68 0.00 0.00 37.83 35.42 1hgg s LYS 62 CO 0.18 0.16 0.00 1.19 -0.76 0.00 0.00 175.35 176.11 1hgg n PHE 63 N 2.93 0.00 -1.78 3.18 3.72 -1.26 -5.02 117.46 119.24 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 0.00 176.76 175.13 1hgg s HIS 64 N 2.68 2.76 0.00 1.38 2.46 -1.26 -4.97 115.29 118.34 1hgg s HIS 64 Ca 0.00 0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.85 1hgg s HIS 64 Cb 0.00 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 1hgg s HIS 64 CO 0.00 -4.23 0.00 1.04 -2.47 0.00 0.00 174.74 169.08 1hgg n GLN 65 N 4.41 0.71 -3.90 2.88 6.02 -1.26 -5.15 117.38 121.09 1hgg n GLN 65 Ca 0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.93 1hgg n GLN 65 Cb 0.37 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.58 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 3.43 2.89 0.36 5.09 -4.36 -1.26 -5.10 121.20 122.24 1hgg s ILE 66 Ca 0.00 -1.53 -0.26 0.00 -0.26 0.00 0.00 60.65 58.59 1hgg s ILE 66 Cb 0.00 -3.03 -0.09 0.00 1.25 0.00 0.00 42.46 40.59 1hgg s ILE 66 CO 0.00 -0.10 1.11 -1.61 0.24 0.00 0.00 174.94 174.58 1hgg s GLU 67 N -3.97 4.30 -0.04 0.37 0.41 -1.26 -4.96 118.70 113.55 1hgg s GLU 67 Ca 0.42 1.73 0.06 0.00 -0.41 0.00 0.00 54.97 56.76 1hgg s GLU 67 Cb -0.02 -2.82 0.08 0.00 -1.78 0.00 0.00 34.13 29.60 1hgg s GLU 67 CO 0.25 -0.08 0.94 1.63 -0.49 0.00 0.00 175.26 177.51 1hgg n LYS 68 N 0.43 1.22 -3.74 1.61 5.02 -1.26 -4.88 118.16 116.56 1hgg n LYS 68 Ca 0.03 -1.50 -0.13 0.00 -2.02 0.00 0.00 58.31 54.69 1hgg n LYS 68 Cb 0.47 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.12 0.46 -0.04 1.97 2.02 -1.26 -5.07 118.70 115.65 1hgg s GLU 69 Ca 0.09 0.52 -0.05 0.00 0.02 0.00 0.00 54.97 55.55 1hgg s GLU 69 Cb 0.08 0.22 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1hgg s GLU 69 CO 0.01 -0.06 0.13 -0.06 0.02 0.00 0.00 175.26 175.30 1hgg s PHE 70 N 0.16 -0.11 -0.05 1.61 0.08 -1.26 -5.07 117.98 113.34 1hgg s PHE 70 Ca -0.00 0.27 0.20 0.00 0.12 0.00 0.00 56.93 57.51 1hgg s PHE 70 Cb -0.03 0.03 -0.31 0.00 -0.57 0.00 0.00 43.02 42.15 1hgg s PHE 70 CO 0.01 -0.10 0.45 -1.13 -0.10 0.00 0.00 175.22 174.34 1hgg n SER 71 N 2.78 0.47 -4.87 1.36 3.41 -1.26 -5.01 113.62 110.50 1hgg n SER 71 Ca -0.14 -0.02 -0.24 0.00 -0.26 0.00 0.00 58.87 58.21 1hgg n SER 71 Cb 0.59 1.88 -0.03 0.00 -0.26 0.00 0.00 64.21 66.39 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 -3.37 2.35 -0.26 4.33 0.41 -1.26 -5.10 118.70 115.80 1hgg s GLU 72 Ca -0.07 -1.81 -0.07 0.00 -0.41 0.00 0.00 54.97 52.61 1hgg s GLU 72 Cb 0.13 -2.19 -0.02 0.00 -1.78 0.00 0.00 34.13 30.27 1hgg s GLU 72 CO 0.83 -0.39 0.07 0.08 -0.49 0.00 0.00 175.26 175.36 1hgg s VAL 73 N -2.63 4.24 -0.01 2.63 1.01 -1.26 -4.97 120.40 119.40 1hgg s VAL 73 Ca 0.41 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1hgg s VAL 73 Cb -0.02 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.23 1hgg s VAL 73 CO 0.24 0.27 0.14 -0.62 0.00 0.00 0.00 175.10 175.13 1hgg n GLU 74 N 4.92 0.47 0.00 2.72 1.02 -1.26 -5.11 120.64 123.39 1hgg n GLU 74 Ca -0.16 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1hgg n GLU 74 Cb 0.51 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 2.15 0.89 0.42 0.62 0.00 -1.26 -4.74 105.19 103.28 1hgg n GLY 75 Ca -0.02 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.33 -0.47 1.61 2.43 -1.99 0.58 114.38 116.21 1hgg h ARG 76 Ca 0.00 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1hgg h ARG 76 Cb 0.00 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1hgg h ARG 76 CO 0.00 -0.22 -0.06 0.97 -1.51 0.00 0.00 179.97 179.16 1hgg h ILE 77 N -0.34 1.25 0.00 1.20 6.09 -2.01 -2.61 117.51 121.09 1hgg h ILE 77 Ca 0.12 -1.10 -0.11 0.00 -1.37 0.00 0.00 64.86 62.39 1hgg h ILE 77 Cb 0.59 0.95 -0.02 0.00 0.47 0.00 0.00 36.82 38.81 1hgg h ILE 77 CO -0.61 0.38 -0.54 -0.61 -3.07 0.00 0.00 178.15 173.71 1hgg h GLN 78 N 0.74 0.00 -0.21 2.19 4.15 -1.56 -1.48 115.11 118.94 1hgg h GLN 78 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 1hgg h GLN 78 Cb 0.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1hgg h GLN 78 CO 0.03 0.54 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.84 1hgg h ASP 79 N 0.00 0.36 0.02 -0.69 3.32 -0.60 -2.06 116.42 116.77 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 1.05 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.52 1hgg h ASP 79 CO 0.07 0.57 -1.05 0.25 -1.72 0.00 0.00 179.24 177.36 1hgg h LEU 80 N 0.34 0.89 -0.66 1.55 5.85 -1.02 -1.93 115.31 120.32 1hgg h LEU 80 Ca 0.06 -0.75 0.02 0.00 0.84 0.00 0.00 57.88 58.05 1hgg h LEU 80 Cb 0.53 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1hgg h LEU 80 CO 0.03 1.53 0.42 -0.33 -0.34 0.00 0.00 178.44 179.75 1hgg h GLU 81 N 0.34 0.80 -0.40 1.25 5.08 -1.14 0.11 114.58 120.62 1hgg h GLU 81 Ca -0.14 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1hgg h GLU 81 Cb 1.71 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 1hgg h GLU 81 CO 0.21 0.53 0.05 0.87 -1.00 0.00 0.00 179.01 179.66 1hgg h LYS 82 N 0.82 0.68 -0.64 2.33 1.57 -1.41 -2.90 116.57 117.02 1hgg h LYS 82 Ca 0.26 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1hgg h LYS 82 Cb -0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1hgg h LYS 82 CO -0.10 0.74 0.12 -0.92 -0.57 0.00 0.00 179.45 178.72 1hgg h TYR 83 N 0.52 1.09 -0.25 -1.35 3.20 -0.76 -0.94 116.97 118.48 1hgg h TYR 83 Ca 0.12 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1hgg h TYR 83 Cb 0.40 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1hgg h TYR 83 CO 0.03 0.91 0.16 0.28 -1.64 0.00 0.00 178.16 177.90 1hgg h VAL 84 N 0.98 1.08 -0.50 1.81 2.07 -0.96 -0.37 116.25 120.36 1hgg h VAL 84 Ca 0.20 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1hgg h VAL 84 Cb 0.39 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1hgg h VAL 84 CO 0.01 0.07 -0.06 -0.08 0.02 0.00 0.00 177.57 177.53 1hgg h GLU 85 N 0.33 0.92 -0.36 1.57 4.57 -1.28 0.09 114.58 120.41 1hgg h GLU 85 Ca 0.09 -0.32 -0.13 0.00 -1.18 0.00 0.00 59.36 57.82 1hgg h GLU 85 Cb -0.02 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1hgg h GLU 85 CO -0.02 0.98 -0.30 0.22 -1.18 0.00 0.00 179.01 178.71 1hgg h ASP 86 N 0.78 0.81 1.30 1.04 3.58 -1.01 0.79 116.42 123.71 1hgg h ASP 86 Ca 0.13 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 1hgg h ASP 86 Cb 0.60 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1hgg h ASP 86 CO 0.04 1.05 -0.10 0.71 -2.88 0.00 0.00 179.24 178.06 1hgg h THR 87 N 0.66 0.21 -0.15 2.25 1.35 -0.86 -1.59 112.91 114.79 1hgg h THR 87 Ca 0.08 -0.94 -0.07 0.00 -0.55 0.00 0.00 66.41 64.92 1hgg h THR 87 Cb 0.83 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1hgg h THR 87 CO 0.07 0.10 -0.19 0.50 -0.25 0.00 0.00 175.52 175.75 1hgg h LYS 88 N 0.00 0.40 -0.63 4.72 3.64 0.37 -2.78 116.57 122.28 1hgg h LYS 88 Ca -0.00 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1hgg h LYS 88 Cb 0.78 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1hgg h LYS 88 CO 0.01 0.80 0.30 0.82 -2.27 0.00 0.00 179.45 179.11 1hgg h ILE 89 N 0.02 1.22 -0.40 2.00 2.04 -0.58 -0.52 117.51 121.29 1hgg h ILE 89 Ca 0.02 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1hgg h ILE 89 Cb 0.75 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1hgg h ILE 89 CO 0.05 0.26 0.04 0.44 0.00 0.00 0.00 178.15 178.93 1hgg h ASP 90 N 0.87 0.58 -0.21 1.72 3.32 -1.35 0.61 116.42 121.96 1hgg h ASP 90 Ca 0.22 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1hgg h ASP 90 Cb 0.13 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1hgg h ASP 90 CO -0.03 0.62 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.74 1hgg h LEU 91 N 0.60 0.63 -1.26 1.55 3.38 -1.05 -1.09 115.31 118.07 1hgg h LEU 91 Ca 0.13 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 1hgg h LEU 91 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1hgg h LEU 91 CO 0.01 1.03 -0.34 -0.50 0.09 0.00 0.00 178.44 178.73 1hgg h TRP 92 N 0.25 0.06 -0.20 1.13 4.06 -0.82 -1.85 115.95 118.59 1hgg h TRP 92 Ca 0.02 -0.01 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1hgg h TRP 92 Cb 0.89 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.03 1hgg h TRP 92 CO 0.09 0.39 -0.48 0.77 -3.56 0.00 0.00 178.44 175.65 1hgg h SER 93 N 0.05 0.58 -0.05 -3.49 0.02 -0.59 -1.15 113.55 108.91 1hgg h SER 93 Ca 0.00 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1hgg h SER 93 Cb 0.62 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1hgg h SER 93 CO 0.05 0.97 0.03 0.22 -1.14 0.00 0.00 176.83 176.95 1hgg h TYR 94 N 0.42 0.08 -0.84 3.45 5.03 -0.94 -1.48 116.97 122.69 1hgg h TYR 94 Ca 0.02 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.37 1hgg h TYR 94 Cb 0.99 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.20 1hgg h TYR 94 CO 0.04 0.17 0.53 -0.91 -1.32 0.00 0.00 178.16 176.67 1hgg h ASN 95 N -0.04 0.86 -0.27 -2.11 4.21 -0.94 -0.96 115.58 116.34 1hgg h ASN 95 Ca 0.02 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 1hgg h ASN 95 Cb 0.12 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1hgg h ASN 95 CO -0.00 0.58 0.07 0.00 -1.29 0.00 0.00 177.43 176.79 1hgg h ALA 96 N 1.37 0.36 -0.77 -0.83 0.00 -0.87 -0.30 119.26 118.21 1hgg h ALA 96 Ca 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1hgg h ALA 96 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1hgg h ALA 96 CO -0.13 0.02 0.39 1.49 0.00 0.00 0.00 179.25 181.01 1hgg h GLU 97 N 0.27 1.08 -0.00 0.00 4.57 -0.94 -1.12 114.58 118.44 1hgg h GLU 97 Ca 0.09 -0.14 -0.23 0.00 -1.18 0.00 0.00 59.36 57.90 1hgg h GLU 97 Cb 0.29 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1hgg h GLU 97 CO 0.00 0.81 -0.95 1.25 -1.18 0.00 0.00 179.01 178.94 1hgg h LEU 98 N 1.08 0.57 0.49 1.64 5.85 -1.09 -2.85 115.31 121.00 1hgg h LEU 98 Ca 0.27 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1hgg h LEU 98 Cb 0.07 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1hgg h LEU 98 CO -0.04 1.26 -0.23 0.25 -0.34 0.00 0.00 178.44 179.33 1hgg h LEU 99 N 0.25 -0.56 -1.28 2.25 5.85 -0.34 -0.63 115.31 120.86 1hgg h LEU 99 Ca -0.08 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1hgg h LEU 99 Cb 1.59 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 1hgg h LEU 99 CO 0.17 -0.36 -0.07 -0.37 -0.34 0.00 0.00 178.44 177.46 1hgg h VAL 100 N -0.70 1.19 -0.46 1.05 -1.51 -1.33 -1.44 116.25 113.05 1hgg h VAL 100 Ca -0.07 -0.81 -0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1hgg h VAL 100 Cb 0.53 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 1hgg h VAL 100 CO 0.11 0.27 0.27 0.00 -1.23 0.00 0.00 177.57 176.99 1hgg h ALA 101 N 1.55 0.59 0.30 5.19 0.00 -1.21 0.33 119.26 126.00 1hgg h ALA 101 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hgg h ALA 101 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1hgg h ALA 101 CO 0.02 0.09 -0.15 -0.07 0.00 0.00 0.00 179.25 179.14 1hgg h LEU 102 N 0.61 -0.34 -0.78 0.00 3.38 -0.60 -2.47 115.31 115.10 1hgg h LEU 102 Ca 0.16 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1hgg h LEU 102 Cb 0.02 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.73 1hgg h LEU 102 CO -0.03 0.00 0.09 -0.33 0.09 0.00 0.00 178.44 178.26 1hgg h GLU 103 N -0.72 0.15 -0.42 1.13 4.39 -1.19 -0.94 114.58 116.98 1hgg h GLU 103 Ca -0.04 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1hgg h GLU 103 Cb 0.49 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1hgg h GLU 103 CO 0.07 0.10 -0.15 -0.91 -1.16 0.00 0.00 179.01 176.96 1hgg h ASN 104 N 0.16 0.86 -0.48 1.42 2.35 -0.83 0.11 115.58 119.18 1hgg h ASN 104 Ca 0.44 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1hgg h ASN 104 Cb 0.81 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1hgg h ASN 104 CO -0.63 1.05 0.28 -0.61 -1.65 0.00 0.00 177.43 175.86 1hgg h GLN 105 N 0.66 0.65 -0.59 0.81 5.75 -0.88 -1.39 115.11 120.12 1hgg h GLN 105 Ca 0.10 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 1hgg h GLN 105 Cb 0.70 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1hgg h GLN 105 CO 0.05 0.49 0.08 1.25 -2.65 0.00 0.00 178.83 178.05 1hgg h HIS 106 N 0.63 1.02 -0.35 3.99 2.76 -0.57 -1.72 115.15 120.91 1hgg h HIS 106 Ca 0.17 -0.13 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 1hgg h HIS 106 Cb 0.02 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 1hgg h HIS 106 CO -0.02 0.88 -0.00 1.15 -1.30 0.00 0.00 177.93 178.63 1hgg h THR 107 N 0.91 1.26 -0.54 6.26 2.02 -0.16 0.11 112.91 122.77 1hgg h THR 107 Ca 0.18 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1hgg h THR 107 Cb 0.42 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1hgg h THR 107 CO 0.01 0.33 0.23 0.40 0.37 0.00 0.00 175.52 176.86 1hgg h ILE 108 N 0.44 1.19 -0.09 3.11 2.04 -1.00 -1.25 117.51 121.95 1hgg h ILE 108 Ca 0.10 -0.58 -0.23 0.00 1.00 0.00 0.00 64.86 65.15 1hgg h ILE 108 Cb 0.46 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1hgg h ILE 108 CO 0.02 0.23 -0.86 0.44 0.00 0.00 0.00 178.15 177.98 1hgg h ASP 109 N 0.77 0.84 -0.49 1.72 3.32 -0.91 -2.25 116.42 119.42 1hgg h ASP 109 Ca 0.19 -0.59 0.03 0.00 0.02 0.00 0.00 57.03 56.67 1hgg h ASP 109 Cb 0.13 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1hgg h ASP 109 CO -0.02 1.39 0.28 0.25 -1.72 0.00 0.00 179.24 179.42 1hgg h LEU 110 N 0.44 0.44 -0.60 1.55 6.46 -0.42 0.19 115.31 123.38 1hgg h LEU 110 Ca -0.07 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.54 1hgg h LEU 110 Cb 1.49 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.33 1hgg h LEU 110 CO 0.17 0.31 -0.64 0.71 -0.62 0.00 0.00 178.44 178.37 1hgg h THR 111 N 0.56 1.39 -0.91 1.05 1.35 -1.25 -1.52 112.91 113.58 1hgg h THR 111 Ca 0.20 -2.05 -0.01 0.00 -0.55 0.00 0.00 66.41 64.00 1hgg h THR 111 Cb 0.04 2.05 -0.04 0.00 -1.73 0.00 0.00 68.15 68.47 1hgg h THR 111 CO -0.10 0.61 0.53 -0.78 -0.25 0.00 0.00 175.52 175.52 1hgg h ASP 112 N 0.18 1.11 0.59 5.36 3.58 -0.78 -2.23 116.42 124.24 1hgg h ASP 112 Ca -0.01 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 1hgg h ASP 112 Cb 1.16 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1hgg h ASP 112 CO 0.10 0.87 -0.37 -1.28 -2.88 0.00 0.00 179.24 175.68 1hgg h SER 113 N 1.26 -0.92 -0.99 2.28 0.87 -0.24 -1.47 113.55 114.33 1hgg h SER 113 Ca 0.32 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 61.05 1hgg h SER 113 Cb -0.02 0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 62.13 1hgg h SER 113 CO -0.06 -0.57 0.63 -0.33 -0.53 0.00 0.00 176.83 175.97 1hgg h GLU 114 N -0.91 0.96 0.52 2.24 4.39 -1.09 0.32 114.58 121.01 1hgg h GLU 114 Ca -0.07 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1hgg h GLU 114 Cb 0.74 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1hgg h GLU 114 CO 0.07 0.64 -0.25 1.98 -1.16 0.00 0.00 179.01 180.29 1hgg h MET 115 N 0.99 -0.67 -0.91 2.33 4.05 -1.18 -1.28 114.93 118.27 1hgg h MET 115 Ca 0.49 0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.98 1hgg h MET 115 Cb 0.47 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 31.37 1hgg h MET 115 CO -0.25 -0.44 0.60 -0.97 0.23 0.00 0.00 176.91 176.08 1hgg h ASN 116 N -0.70 1.00 -0.75 1.39 -1.24 -0.45 -1.17 115.58 113.66 1hgg h ASN 116 Ca -0.07 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.89 1hgg h ASN 116 Cb 0.54 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.31 1hgg h ASN 116 CO 0.12 0.70 0.35 0.11 -1.29 0.00 0.00 177.43 177.42 1hgg h LYS 117 N 1.17 1.11 -0.64 6.67 1.57 0.00 -0.78 116.57 125.67 1hgg h LYS 117 Ca 0.35 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1hgg h LYS 117 Cb -0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1hgg h LYS 117 CO -0.10 0.87 0.07 1.25 -0.57 0.00 0.00 179.45 180.97 1hgg h LEU 118 N 1.09 1.04 0.16 2.94 5.85 -0.18 -0.40 115.31 125.82 1hgg h LEU 118 Ca 0.26 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1hgg h LEU 118 Cb 0.14 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1hgg h LEU 118 CO -0.03 1.06 -0.08 0.15 -0.34 0.00 0.00 178.44 179.20 1hgg h PHE 119 N 0.99 -0.20 -0.77 1.25 3.57 -0.59 -1.00 116.94 120.19 1hgg h PHE 119 Ca 0.19 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1hgg h PHE 119 Cb 0.48 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1hgg h PHE 119 CO 0.04 -0.13 0.51 0.93 -2.23 0.00 0.00 178.31 177.43 1hgg h GLU 120 N -0.22 0.92 -0.15 1.11 4.39 -0.84 -0.42 114.58 119.37 1hgg h GLU 120 Ca -0.02 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1hgg h GLU 120 Cb 0.17 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1hgg h GLU 120 CO 0.04 0.61 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.26 1hgg h LYS 121 N 0.95 0.28 -0.70 2.33 3.64 -0.79 -1.21 116.57 121.06 1hgg h LYS 121 Ca 0.31 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1hgg h LYS 121 Cb 0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1hgg h LYS 121 CO -0.09 0.52 0.19 1.15 -2.27 0.00 0.00 179.45 178.95 1hgg h THR 122 N 0.00 1.26 0.10 1.00 2.02 -0.52 -2.45 112.91 114.31 1hgg h THR 122 Ca 0.04 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.32 1hgg h THR 122 Cb 0.40 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1hgg h THR 122 CO 0.01 0.36 -0.31 -0.09 0.37 0.00 0.00 175.52 175.86 1hgg h ARG 123 N 1.05 -0.50 -0.88 6.66 2.43 -0.87 -1.90 114.38 120.37 1hgg h ARG 123 Ca 0.22 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.55 1hgg h ARG 123 Cb 0.34 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.93 1hgg h ARG 123 CO -0.00 -0.33 0.57 0.00 -1.51 0.00 0.00 179.97 178.69 1hgg h ARG 124 N -0.52 0.74 -0.25 0.20 3.08 -1.00 -2.01 114.38 114.63 1hgg h ARG 124 Ca 0.04 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1hgg h ARG 124 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1hgg h ARG 124 CO -0.20 0.49 -0.20 0.37 -1.07 0.00 0.00 179.97 179.37 1hgg h GLN 125 N 0.76 0.57 0.00 0.04 4.15 -0.96 -3.15 115.11 116.52 1hgg h GLN 125 Ca 0.43 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1hgg h GLN 125 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1hgg h GLN 125 CO -0.19 0.86 0.00 -0.07 -1.93 0.00 0.00 178.83 177.50 1hgg h LEU 126 N 0.28 0.00 0.00 -2.39 3.38 -0.61 -3.42 115.31 112.55 1hgg h LEU 126 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hgg h LEU 126 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1hgg h LEU 126 CO 0.05 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.12 1hgg n ARG 127 N -2.52 0.00 0.00 1.13 5.12 -1.08 -1.79 116.66 117.52 1hgg n ARG 127 Ca 0.01 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.00 1hgg n ARG 127 Cb 0.23 0.00 0.39 0.00 -1.16 0.00 0.00 32.46 31.91 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 0.91 0.00 5.56 4.07 -1.26 -3.80 120.64 140.12 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 -1.22 0.18 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 -0.72 1.91 -4.03 4.31 4.13 -0.74 -4.69 115.26 115.41 1hgg n ASN 129 Ca 0.10 -1.45 -0.08 0.00 1.68 0.00 0.00 54.58 54.82 1hgg n ASN 129 Cb 0.04 0.23 -0.09 0.00 -1.54 0.00 0.00 39.78 38.43 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 -2.33 0.37 0.01 5.41 0.00 -1.25 -0.98 121.76 123.00 1hgg s ALA 130 Ca 0.24 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1hgg s ALA 130 Cb 0.19 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1hgg s ALA 130 CO 0.47 -0.47 -0.18 -1.21 0.00 0.00 0.00 175.76 174.37 1hgg s GLU 131 N -3.95 1.37 -0.40 0.00 2.02 -0.41 -4.94 118.70 112.39 1hgg s GLU 131 Ca 0.12 -0.77 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1hgg s GLU 131 Cb 0.07 -1.39 0.02 0.00 0.10 0.00 0.00 34.13 32.93 1hgg s GLU 131 CO -0.06 0.37 1.18 -2.00 0.02 0.00 0.00 175.26 174.77 1hgg s GLU 132 N -0.79 3.83 0.00 1.61 2.12 -1.26 -0.79 118.70 123.42 1hgg s GLU 132 Ca 0.06 0.86 0.11 0.00 0.36 0.00 0.00 54.97 56.37 1hgg s GLU 132 Cb -0.08 -3.87 0.64 0.00 0.26 0.00 0.00 34.13 31.08 1hgg s GLU 132 CO 0.00 -1.23 1.09 -1.33 -0.54 0.00 0.00 175.26 173.25 1hgg n MET 133 N 7.52 0.53 -0.98 4.30 2.81 -0.09 -4.87 117.12 126.33 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 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 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 0.04 0.50 1.42 3.03 0.00 -1.26 -4.81 105.19 104.11 1hgg n GLY 134 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.14 1.83 0.00 1.61 6.94 -1.26 -4.91 115.26 119.33 1hgg n ASN 135 Ca 0.00 -2.92 0.00 0.00 -0.02 0.00 0.00 54.58 51.64 1hgg n ASN 135 Cb 0.07 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 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 -0.38 0.55 3.43 4.83 0.00 -1.26 -4.64 105.19 107.72 1hgg n GLY 136 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 0.07 3.64 -0.43 0.00 0.08 -1.26 -0.92 117.98 119.16 1hgg s PHE 138 Ca -0.04 0.94 -0.23 0.00 0.12 0.00 0.00 56.93 57.72 1hgg s PHE 138 Cb -0.14 -2.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 1hgg s PHE 138 CO 0.04 0.45 0.81 0.21 -0.10 0.00 0.00 175.22 176.62 1hgg s LYS 139 N -0.37 3.52 -0.12 0.44 2.47 0.03 -4.92 119.74 120.79 1hgg s LYS 139 Ca 0.24 0.05 -0.24 0.00 -1.56 0.00 0.00 55.97 54.46 1hgg s LYS 139 Cb -0.16 -3.90 -0.03 0.00 -1.46 0.00 0.00 37.83 32.28 1hgg s LYS 139 CO 0.12 -1.06 0.74 0.42 0.16 0.00 0.00 175.35 175.73 1hgg s ILE 140 N 3.32 4.98 -0.94 5.43 1.01 -1.26 -1.29 121.20 132.45 1hgg s ILE 140 Ca 0.31 1.49 -0.02 0.00 0.00 0.00 0.00 60.65 62.43 1hgg s ILE 140 Cb -0.12 -4.07 0.30 0.00 0.01 0.00 0.00 42.46 38.59 1hgg s ILE 140 CO 0.22 0.16 2.00 -1.22 0.00 0.00 0.00 174.94 176.09 1hgg n TYR 141 N 4.43 2.78 -3.60 3.97 4.01 -0.15 -4.92 117.16 123.68 1hgg n TYR 141 Ca 0.01 -2.44 -0.05 0.00 -0.16 0.00 0.00 57.90 55.26 1hgg n TYR 141 Cb 0.50 -1.25 -0.02 0.00 -0.31 0.00 0.00 39.34 38.27 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 -3.88 -0.20 -0.03 -0.72 -3.43 -1.26 -3.39 115.29 102.38 1hgg s HIS 142 Ca 0.46 0.05 -0.30 0.00 -0.80 0.00 0.00 55.06 54.48 1hgg s HIS 142 Cb 0.30 0.56 -0.06 0.00 -1.43 0.00 0.00 32.58 31.95 1hgg s HIS 142 CO -0.25 -0.49 1.65 0.21 -2.00 0.00 0.00 174.74 173.87 1hgg s LYS 143 N -2.89 4.19 -0.36 -0.38 2.20 -1.26 -4.94 119.74 116.30 1hgg s LYS 143 Ca 0.09 2.21 0.01 0.00 -0.36 0.00 0.00 55.97 57.92 1hgg s LYS 143 Cb -0.00 -3.93 0.11 0.00 -1.51 0.00 0.00 37.83 32.50 1hgg s LYS 143 CO -0.05 -0.82 0.14 0.00 -0.36 0.00 0.00 175.35 174.26 1hgg n ASP 145 N 4.33 -1.63 0.25 0.00 5.68 -1.26 -4.22 116.55 119.69 1hgg n ASP 145 Ca 0.02 -1.16 0.08 0.00 -0.50 0.00 0.00 54.79 53.23 1hgg n ASP 145 Cb 0.39 -0.91 0.61 0.00 -1.14 0.00 0.00 41.12 40.08 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 -2.39 0.00 0.76 -1.12 2.35 -1.99 -0.55 115.58 112.64 1hgg h ASN 146 Ca -0.38 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.19 1hgg h ASN 146 Cb 1.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1hgg h ASN 146 CO 0.25 0.08 -0.86 0.00 -1.65 0.00 0.00 177.43 175.26 1hgg h ALA 147 N 1.92 0.58 0.53 -0.83 0.00 -1.98 -0.24 119.26 119.23 1hgg h ALA 147 Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1hgg h ALA 147 Cb 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1hgg h ALA 147 CO 0.01 1.01 -0.25 0.00 0.00 0.00 0.00 179.25 180.01 1hgg h ILE 149 N -0.83 0.64 -0.39 0.00 1.08 -1.04 0.22 117.51 117.20 1hgg h ILE 149 Ca -0.07 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.20 1hgg h ILE 149 Cb 0.59 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1hgg h ILE 149 CO 0.12 0.08 0.04 -0.08 -0.69 0.00 0.00 178.15 177.61 1hgg h GLU 150 N 0.42 0.59 0.00 2.37 4.57 -0.79 -1.68 114.58 120.07 1hgg h GLU 150 Ca 0.42 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.39 1hgg h GLU 150 Cb 0.65 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1hgg h GLU 150 CO -0.42 0.59 -0.38 0.66 -1.18 0.00 0.00 179.01 178.28 1hgg h SER 151 N 0.57 0.00 -0.18 1.04 4.64 0.17 0.58 113.55 120.37 1hgg h SER 151 Ca 0.12 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1hgg h SER 151 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1hgg h SER 151 CO 0.01 0.38 -0.07 0.40 -0.87 0.00 0.00 176.83 176.68 1hgg h ILE 152 N 0.00 1.30 0.27 0.95 2.04 -0.85 0.24 117.51 121.46 1hgg h ILE 152 Ca -0.00 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1hgg h ILE 152 Cb 0.71 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1hgg h ILE 152 CO 0.05 0.33 -0.13 0.03 0.00 0.00 0.00 178.15 178.43 1hgg h ARG 153 N 0.07 -0.35 -0.23 2.37 3.08 -0.73 -2.46 114.38 116.13 1hgg h ARG 153 Ca 0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1hgg h ARG 153 Cb 0.53 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1hgg h ARG 153 CO 0.02 -0.18 0.00 0.27 -1.07 0.00 0.00 179.97 179.01 1hgg n ASN 154 N -5.21 0.95 -0.48 7.04 0.23 0.14 -4.90 115.26 113.02 1hgg n ASN 154 Ca -0.10 -2.02 -0.05 0.00 -0.53 0.00 0.00 54.58 51.88 1hgg n ASN 154 Cb 0.19 -0.15 -0.02 0.00 -2.08 0.00 0.00 39.78 37.73 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 0.69 0.58 0.52 4.83 0.00 -0.39 -4.91 105.19 106.52 1hgg n GLY 155 Ca 0.05 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.22 1.16 -1.79 2.61 -2.24 0.70 -5.01 114.28 106.49 1hgg n THR 156 Ca -0.06 -1.13 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 1hgg n THR 156 Cb 0.30 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.24 1.94 -0.44 4.78 5.04 -0.75 -4.94 117.35 121.74 1hgg s TYR 157 Ca 0.21 -0.04 -0.18 0.00 -2.44 0.00 0.00 57.07 54.62 1hgg s TYR 157 Cb 0.12 -4.11 0.03 0.00 0.35 0.00 0.00 41.96 38.35 1hgg s TYR 157 CO 0.11 -4.71 0.48 0.34 -1.34 0.00 0.00 175.55 170.43 1hgg s ASP 158 N 3.21 6.20 0.42 4.32 -1.08 -1.26 -4.93 116.67 123.56 1hgg s ASP 158 Ca 0.80 -0.75 0.13 0.00 -0.52 0.00 0.00 52.55 52.21 1hgg s ASP 158 Cb -0.42 -2.24 0.90 0.00 -1.46 0.00 0.00 42.92 39.70 1hgg s ASP 158 CO 0.36 -0.65 1.94 1.12 0.52 0.00 0.00 175.17 178.46 1hgg h HIS 159 N 8.78 0.07 -0.83 -5.34 2.07 -1.92 -2.69 115.15 115.28 1hgg h HIS 159 Ca -0.27 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.24 1hgg h HIS 159 Cb 1.11 -0.02 -0.04 0.00 2.57 0.00 0.00 27.41 31.03 1hgg h HIS 159 CO 0.65 0.26 0.51 -0.44 -3.07 0.00 0.00 177.93 175.84 1hgg h ASP 160 N 0.06 1.00 -1.06 3.10 3.32 -1.96 -0.64 116.42 120.24 1hgg h ASP 160 Ca 0.01 -0.06 0.31 0.00 0.02 0.00 0.00 57.03 57.30 1hgg h ASP 160 Cb 0.39 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1hgg h ASP 160 CO 0.03 0.77 0.82 0.58 -1.72 0.00 0.00 179.24 179.71 1hgg h VAL 161 N 1.14 0.38 0.00 -1.35 2.07 -1.91 -0.54 116.25 116.04 1hgg h VAL 161 Ca 0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1hgg h VAL 161 Cb -0.05 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1hgg h VAL 161 CO -0.06 0.00 -0.00 -1.22 0.02 0.00 0.00 177.57 176.31 1hgg n TYR 162 N -4.05 0.00 -0.22 1.57 4.02 -0.33 -4.83 117.16 113.33 1hgg n TYR 162 Ca 0.23 -0.44 -0.06 0.00 -0.01 0.00 0.00 57.90 57.61 1hgg n TYR 162 Cb 1.17 -0.05 0.04 0.00 -0.02 0.00 0.00 39.34 40.48 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 -0.28 -0.72 2.43 -0.22 0.08 114.38 116.52 1hgg h ARG 163 Ca 0.00 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.90 1hgg h ARG 163 Cb 0.59 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1hgg h ARG 163 CO 0.00 0.63 -0.55 -0.44 -1.51 0.00 0.00 179.97 178.10 1hgg h ASP 164 N 0.84 0.95 -0.00 -3.80 3.32 -1.88 0.21 116.42 116.06 1hgg h ASP 164 Ca 0.22 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1hgg h ASP 164 Cb 0.00 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1hgg h ASP 164 CO -0.04 1.30 0.00 -0.08 -1.72 0.00 0.00 179.24 178.71 1hgg h GLU 165 N 0.65 0.00 -0.07 3.56 4.81 -1.84 -1.79 114.58 119.90 1hgg h GLU 165 Ca 0.01 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1hgg h GLU 165 Cb 1.15 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1hgg h GLU 165 CO 0.12 0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.50 1hgg h ALA 166 N 0.91 0.06 -0.11 2.92 0.00 -0.81 -2.26 119.26 119.96 1hgg h ALA 166 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1hgg h ALA 166 Cb 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1hgg h ALA 166 CO -0.00 -0.47 -0.09 -0.07 0.00 0.00 0.00 179.25 178.62 1hgg h LEU 167 N 0.03 0.16 0.22 0.00 3.38 -0.44 0.24 115.31 118.89 1hgg h LEU 167 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1hgg h LEU 167 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hgg h LEU 167 CO -0.05 0.27 -0.11 -1.13 0.09 0.00 0.00 178.44 177.51 1hgg h ASN 168 N 0.17 -0.25 -0.85 -0.43 -0.73 -1.09 -0.89 115.58 111.50 1hgg h ASN 168 Ca 0.04 -0.21 0.09 0.00 1.87 0.00 0.00 56.30 58.08 1hgg h ASN 168 Cb 0.27 0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.86 1hgg h ASN 168 CO 0.01 0.10 0.55 0.78 -0.37 0.00 0.00 177.43 178.50 1hgg h ASN 169 N -0.63 0.75 0.00 1.15 2.35 -0.92 -2.90 115.58 115.39 1hgg h ASN 169 Ca -0.03 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1hgg h ASN 169 Cb 0.45 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1hgg h ASN 169 CO 0.05 0.45 -0.42 -0.09 -1.65 0.00 0.00 177.43 175.77 1hgg h ARG 170 N 0.84 0.01 0.00 0.81 2.43 -0.90 -3.44 114.38 114.13 1hgg h ARG 170 Ca 0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1hgg h ARG 170 Cb 0.40 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1hgg h ARG 170 CO -0.16 1.01 0.00 1.19 -1.51 0.00 0.00 179.97 180.50 1hgg n PHE 171 N -4.53 0.00 0.00 2.20 3.72 -0.35 -4.79 117.46 113.71 1hgg n PHE 171 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1hgg n PHE 171 Cb 0.56 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.52 0.00 0.00 -1.08 6.02 -1.10 -4.43 117.38 115.28 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 -3.71 0.00 -1.87 5.09 2.08 -1.25 -3.40 119.36 116.31 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 -0.44 0.00 0.00 -1.05 0.00 0.00 58.31 56.82 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