#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcg s VAL 17 N 0.00 5.13 0.00 1.39 1.01 0.64 -3.47 120.40 125.09 1hcg s VAL 17 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1hcg s VAL 17 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1hcg s VAL 17 CO 0.00 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.04 1hcg n GLY 18 N 5.20 0.00 0.00 4.51 0.00 -1.26 -2.34 105.19 111.30 1hcg n GLY 18 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1hcg n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcg n GLY 19 N 1.88 5.63 2.15 -0.02 0.00 -1.26 -4.74 105.19 108.84 1hcg n GLY 19 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1hcg n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hcg n GLN 20 N 0.00 0.85 -3.87 1.61 6.02 -0.08 -4.93 117.38 116.99 1hcg n GLN 20 Ca 0.00 -1.78 -0.21 0.00 -0.01 0.00 0.00 57.00 55.00 1hcg n GLN 20 Cb 0.00 -0.04 -0.02 0.00 1.02 0.00 0.00 30.24 31.20 1hcg n GLN 20 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1hcg s GLU 21 N -3.40 3.41 0.07 -1.09 2.02 -1.26 -1.84 118.70 116.61 1hcg s GLU 21 Ca 0.29 -0.75 -0.23 0.00 0.02 0.00 0.00 54.97 54.30 1hcg s GLU 21 Cb -0.02 -2.86 -0.06 0.00 0.10 0.00 0.00 34.13 31.28 1hcg s GLU 21 CO 0.18 0.37 0.71 0.00 0.02 0.00 0.00 175.26 176.54 1hcg n LYS 23 N 2.29 -0.46 -3.11 0.00 4.76 -1.26 -4.92 118.16 115.46 1hcg n LYS 23 Ca -0.05 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.99 1hcg n LYS 23 Cb 0.50 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.64 1hcg n LYS 23 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1hcg s ASP 24 N -1.86 6.90 0.00 4.39 2.15 -1.26 -3.83 116.67 123.16 1hcg s ASP 24 Ca 0.00 1.08 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1hcg s ASP 24 Cb 0.00 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1hcg s ASP 24 CO 0.00 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 1hcg n GLY 25 N 3.19 0.86 0.09 2.66 0.00 -1.26 -4.93 105.19 105.80 1hcg n GLY 25 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1hcg n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hcg h GLU 26 N 2.74 0.00 -2.11 1.61 4.81 -1.92 -3.39 114.58 116.32 1hcg h GLU 26 Ca 0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 1hcg h GLU 26 Cb 0.00 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 28.97 1hcg h GLU 26 CO 0.00 0.70 -0.93 0.00 -0.73 0.00 0.00 179.01 178.05 1hcg h PRO 28 N 3.34 0.00 -0.26 0.00 0.13 -1.82 -2.96 132.00 130.44 1hcg h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1hcg h PRO 28 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1hcg h PRO 28 CO 0.63 0.03 0.00 -2.67 -0.23 0.00 0.00 178.00 175.76 1hcg n TRP 29 N -3.37 0.33 -2.62 1.56 2.14 -0.94 -1.43 117.44 113.11 1hcg n TRP 29 Ca -0.02 -0.17 -0.42 0.00 2.07 0.00 0.00 57.50 58.96 1hcg n TRP 29 Cb 0.14 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.61 1hcg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1hcg s GLN 30 N -1.67 4.47 0.24 -2.67 2.00 -1.12 -0.15 119.66 120.76 1hcg s GLN 30 Ca 0.34 1.50 0.09 0.00 -2.00 0.00 0.00 55.36 55.29 1hcg s GLN 30 Cb 0.19 -3.48 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 1hcg s GLN 30 CO 0.28 -0.21 -0.03 0.00 -0.50 0.00 0.00 175.29 174.83 1hcg s ALA 31 N 1.47 3.11 -0.04 1.58 0.00 -0.93 -4.46 121.76 122.48 1hcg s ALA 31 Ca 0.53 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1hcg s ALA 31 Cb -0.22 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.15 1hcg s ALA 31 CO 0.24 0.33 0.06 -1.17 0.00 0.00 0.00 175.76 175.22 1hcg s LEU 32 N -3.41 0.22 -0.20 0.00 2.96 -0.60 -1.59 118.68 116.05 1hcg s LEU 32 Ca 0.30 0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 54.05 1hcg s LEU 32 Cb -0.07 -0.15 -0.02 0.00 0.50 0.00 0.00 46.19 46.45 1hcg s LEU 32 CO 0.19 -0.24 0.73 -0.76 -1.32 0.00 0.00 176.35 174.95 1hcg s LEU 33 N 2.09 4.14 -0.09 -0.68 1.43 0.37 -1.69 118.68 124.24 1hcg s LEU 33 Ca 0.04 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 1hcg s LEU 33 Cb -0.12 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1hcg s LEU 33 CO -0.03 -0.37 -0.14 0.27 0.23 0.00 0.00 176.35 176.31 1hcg s ILE 34 N 2.20 3.01 0.41 -0.59 -4.36 -1.04 0.23 121.20 121.06 1hcg s ILE 34 Ca 0.33 -0.71 -0.07 0.00 -0.26 0.00 0.00 60.65 59.94 1hcg s ILE 34 Cb -0.16 -2.22 0.11 0.00 1.25 0.00 0.00 42.46 41.44 1hcg s ILE 34 CO 0.10 0.56 0.29 -0.46 0.24 0.00 0.00 174.94 175.68 1hcg n ASN 35 N 2.93 -2.07 -0.44 4.36 0.23 0.21 -2.12 115.26 118.36 1hcg n ASN 35 Ca -0.18 -0.46 0.00 0.00 -0.53 0.00 0.00 54.58 53.41 1hcg n ASN 35 Cb 0.52 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1hcg n ASN 35 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1hcg n GLU 36 N -2.87 0.48 -0.50 -3.83 0.00 -1.04 0.13 120.64 113.01 1hcg n GLU 36 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.20 1hcg n GLU 36 Cb 0.18 -1.21 -0.00 0.00 0.00 0.00 0.00 31.44 30.41 1hcg n GLU 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1hcg n GLU 37 N 0.17 0.00 -2.11 3.44 1.02 -1.26 -5.00 120.64 116.90 1hcg n GLU 37 Ca 0.00 -0.63 -0.11 0.00 -0.02 0.00 0.00 57.16 56.40 1hcg n GLU 37 Cb 0.11 -0.31 -0.02 0.00 -0.02 0.00 0.00 31.44 31.20 1hcg n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1hcg n ASN 38 N 0.00 -3.45 -4.69 1.62 4.13 0.12 -4.93 115.26 108.06 1hcg n ASN 38 Ca -0.00 0.24 -0.37 0.00 1.68 0.00 0.00 54.58 56.13 1hcg n ASN 38 Cb 0.63 -3.04 -0.08 0.00 -1.54 0.00 0.00 39.78 35.75 1hcg n ASN 38 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1hcg s GLU 39 N -4.41 4.19 0.21 3.52 2.02 -1.26 -4.82 118.70 118.14 1hcg s GLU 39 Ca 0.00 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.77 1hcg s GLU 39 Cb 0.00 -3.50 -0.09 0.00 0.10 0.00 0.00 34.13 30.64 1hcg s GLU 39 CO 0.00 0.08 1.32 0.20 0.02 0.00 0.00 175.26 176.87 1hcg s GLY 40 N 0.85 2.47 0.00 -1.39 0.00 -1.26 0.64 107.32 108.62 1hcg s GLY 40 Ca 0.16 1.13 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1hcg s GLY 40 CO 0.06 2.08 0.00 1.97 0.00 0.00 0.00 173.10 177.21 1hcg n PHE 41 N 2.54 0.00 -3.71 1.90 1.16 0.14 -4.88 117.46 114.61 1hcg n PHE 41 Ca 0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.55 1hcg n PHE 41 Cb 0.43 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 1hcg n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1hcg n GLY 43 N -0.41 1.44 3.58 0.00 0.00 0.36 -0.48 105.19 109.67 1hcg n GLY 43 Ca -0.09 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.78 1hcg n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hcg s GLY 44 N -3.60 -0.35 -0.02 -0.02 0.00 -0.62 -3.86 107.32 98.85 1hcg s GLY 44 Ca 0.34 1.33 0.07 0.00 0.00 0.00 0.00 44.72 46.46 1hcg s GLY 44 CO 0.22 0.43 -0.22 -1.59 0.00 0.00 0.00 173.10 171.94 1hcg s THR 45 N -2.64 1.76 -0.38 0.90 2.01 -0.36 -2.20 115.64 114.73 1hcg s THR 45 Ca 0.09 -0.95 -0.24 0.00 0.31 0.00 0.00 61.69 60.89 1hcg s THR 45 Cb -0.01 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.05 1hcg s THR 45 CO -0.06 0.50 0.83 -0.63 -0.69 0.00 0.00 174.62 174.58 1hcg s ILE 46 N -0.52 4.66 -0.18 1.82 1.01 0.79 -0.78 121.20 127.99 1hcg s ILE 46 Ca 0.09 0.91 0.04 0.00 0.00 0.00 0.00 60.65 61.69 1hcg s ILE 46 Cb -0.09 -4.27 -0.22 0.00 0.01 0.00 0.00 42.46 37.89 1hcg s ILE 46 CO -0.01 -0.52 0.11 0.18 0.00 0.00 0.00 174.94 174.70 1hcg n LEU 47 N 6.61 2.04 0.00 2.97 4.77 -0.01 -0.60 117.00 132.78 1hcg n LEU 47 Ca 0.04 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1hcg n LEU 47 Cb 0.48 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1hcg n LEU 47 CO 0.56 0.76 0.06 -1.54 -1.33 0.00 0.00 177.39 175.90 1hcg n SER 48 N -3.20 -0.25 0.22 -1.43 3.41 -1.08 -4.71 113.62 106.59 1hcg n SER 48 Ca -0.36 -1.18 0.06 0.00 -0.26 0.00 0.00 58.87 57.13 1hcg n SER 48 Cb 1.05 0.41 0.55 0.00 -0.26 0.00 0.00 64.21 65.96 1hcg n SER 48 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1hcg h GLU 49 N 0.00 0.04 0.00 4.33 3.07 -1.98 -3.02 114.58 117.02 1hcg h GLU 49 Ca -0.04 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1hcg h GLU 49 Cb 0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1hcg h GLU 49 CO 0.05 0.12 -1.22 1.19 -1.40 0.00 0.00 179.01 177.75 1hcg n PHE 50 N -4.42 0.00 -4.70 4.33 3.72 -1.26 -0.94 117.46 114.19 1hcg n PHE 50 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 1hcg n PHE 50 Cb 0.17 -0.17 -0.15 0.00 -0.94 0.00 0.00 39.48 38.40 1hcg n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1hcg s TYR 51 N -2.86 1.55 -0.12 1.38 2.02 -1.14 0.11 117.35 118.29 1hcg s TYR 51 Ca 0.01 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1hcg s TYR 51 Cb 0.12 -0.97 0.01 0.00 -0.40 0.00 0.00 41.96 40.72 1hcg s TYR 51 CO 0.71 0.01 -0.21 0.42 -1.57 0.00 0.00 175.55 174.91 1hcg s ILE 52 N -0.57 1.91 0.04 2.71 -1.09 -0.72 -0.83 121.20 122.66 1hcg s ILE 52 Ca 0.06 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.41 1hcg s ILE 52 Cb -0.07 -1.69 -0.06 0.00 -1.58 0.00 0.00 42.46 39.05 1hcg s ILE 52 CO 0.00 0.52 0.49 -0.22 -1.23 0.00 0.00 174.94 174.50 1hcg s LEU 53 N 0.72 4.49 0.00 2.97 2.96 0.04 -0.26 118.68 129.59 1hcg s LEU 53 Ca -0.10 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 1hcg s LEU 53 Cb -0.16 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.76 1hcg s LEU 53 CO 0.01 0.29 0.00 1.07 -1.32 0.00 0.00 176.35 176.40 1hcg n THR 54 N 1.71 0.00 -3.63 3.68 5.66 -0.40 -1.23 114.28 120.07 1hcg n THR 54 Ca -0.12 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.51 1hcg n THR 54 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.20 1hcg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hcg s ALA 55 N -1.53 3.60 0.55 1.79 0.00 -1.26 -1.83 121.76 123.08 1hcg s ALA 55 Ca 0.00 -0.85 0.30 0.00 0.00 0.00 0.00 51.96 51.40 1hcg s ALA 55 Cb 0.00 -2.36 1.46 0.00 0.00 0.00 0.00 23.12 22.22 1hcg s ALA 55 CO 0.00 -0.21 1.91 0.00 0.00 0.00 0.00 175.76 177.46 1hcg h ALA 56 N 7.52 2.61 0.00 0.00 0.00 -1.65 0.18 119.26 127.92 1hcg h ALA 56 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1hcg h ALA 56 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hcg h ALA 56 CO 0.66 -0.91 0.00 1.12 0.00 0.00 0.00 179.25 180.12 1hcg h HIS 57 N 0.00 0.00 -0.21 0.00 2.07 -1.90 -2.61 115.15 112.50 1hcg h HIS 57 Ca 0.34 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.84 1hcg h HIS 57 Cb 1.43 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.40 1hcg h HIS 57 CO 0.00 0.00 0.05 0.00 -3.07 0.00 0.00 177.93 174.91 1hcg h LEU 59 N 0.15 0.00 -3.25 0.00 3.38 -1.54 0.24 115.31 114.28 1hcg h LEU 59 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1hcg h LEU 59 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1hcg h LEU 59 CO 0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 1hcg n TYR 60 N -3.20 1.57 0.45 1.13 4.01 -0.98 -4.11 117.16 116.03 1hcg n TYR 60 Ca 0.20 -0.66 0.08 0.00 -0.16 0.00 0.00 57.90 57.36 1hcg n TYR 60 Cb 1.41 -0.31 -0.11 0.00 -0.31 0.00 0.00 39.34 40.02 1hcg n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1hcg n GLN 61 N 0.87 1.14 -4.05 -0.72 1.13 0.07 -4.96 117.38 110.86 1hcg n GLN 61 Ca 0.26 -0.06 -0.16 0.00 -1.94 0.00 0.00 57.00 55.09 1hcg n GLN 61 Cb 0.96 -1.33 -0.15 0.00 0.11 0.00 0.00 30.24 29.83 1hcg n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1hcg s ALA 61 N -2.81 0.38 0.15 -1.58 0.00 -1.26 -5.03 121.76 111.62 1hcg s ALA 61 Ca 0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 1hcg s ALA 61 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1hcg s ALA 61 CO 0.69 0.02 1.46 1.57 0.00 0.00 0.00 175.76 179.50 1hcg h LYS 62 N 6.58 0.80 -4.47 0.00 2.10 -1.92 -3.44 116.57 116.21 1hcg h LYS 62 Ca -0.34 -0.48 -0.36 0.00 -2.00 0.00 0.00 60.65 57.48 1hcg h LYS 62 Cb 1.17 0.05 -0.29 0.00 -0.90 0.00 0.00 32.23 32.26 1hcg h LYS 62 CO 0.49 1.11 -0.77 0.50 -2.00 0.00 0.00 179.45 178.79 1hcg s ARG 63 N -4.16 0.58 0.05 0.07 3.52 -1.26 -5.10 118.95 112.65 1hcg s ARG 63 Ca -0.10 -0.24 -0.11 0.00 -0.13 0.00 0.00 55.73 55.15 1hcg s ARG 63 Cb 0.11 -0.56 0.01 0.00 -1.56 0.00 0.00 34.95 32.95 1hcg s ARG 63 CO 0.87 0.14 0.25 -0.59 -0.81 0.00 0.00 175.30 175.16 1hcg s PHE 64 N -0.10 -0.01 0.50 5.12 -0.71 -1.26 -2.49 117.98 119.03 1hcg s PHE 64 Ca 0.02 -0.20 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 1hcg s PHE 64 Cb -0.03 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.80 1hcg s PHE 64 CO -0.00 -0.49 0.05 0.15 -1.34 0.00 0.00 175.22 173.59 1hcg s LYS 65 N -2.78 2.16 -0.11 1.99 1.02 -0.90 -4.50 119.74 116.62 1hcg s LYS 65 Ca -0.03 -2.39 -0.00 0.00 0.02 0.00 0.00 55.97 53.57 1hcg s LYS 65 Cb -0.00 -1.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.13 1hcg s LYS 65 CO -0.05 -0.46 -0.08 0.08 -0.92 0.00 0.00 175.35 173.92 1hcg s VAL 66 N -2.99 1.05 -0.20 3.17 1.01 -0.13 -2.51 120.40 119.80 1hcg s VAL 66 Ca 0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1hcg s VAL 66 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1hcg s VAL 66 CO 0.05 0.37 0.05 -0.60 0.00 0.00 0.00 175.10 174.97 1hcg s ARG 67 N 1.61 3.81 0.25 2.72 3.52 -0.68 -0.19 118.95 129.99 1hcg s ARG 67 Ca 0.03 -0.42 0.11 0.00 -0.13 0.00 0.00 55.73 55.32 1hcg s ARG 67 Cb -0.13 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1hcg s ARG 67 CO -0.07 0.10 -0.13 0.14 -0.81 0.00 0.00 175.30 174.52 1hcg s VAL 68 N 0.82 2.84 -1.29 7.11 -7.23 -0.54 -1.56 120.40 120.55 1hcg s VAL 68 Ca 0.03 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 1hcg s VAL 68 Cb -0.14 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1hcg s VAL 68 CO 0.02 -0.32 0.53 0.61 -0.31 0.00 0.00 175.10 175.64 1hcg n GLY 69 N -0.50 -0.31 3.32 2.32 0.00 -1.26 -0.89 105.19 107.88 1hcg n GLY 69 Ca -0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1hcg n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hcg s ASP 70 N -2.79 3.63 -0.03 1.61 2.15 -1.26 -1.70 116.67 118.28 1hcg s ASP 70 Ca 0.26 -0.40 0.03 0.00 0.43 0.00 0.00 52.55 52.87 1hcg s ASP 70 Cb -0.12 -1.38 -0.04 0.00 -0.30 0.00 0.00 42.92 41.09 1hcg s ASP 70 CO 0.33 0.19 0.02 0.54 -0.17 0.00 0.00 175.17 176.08 1hcg n ARG 71 N 3.33 3.10 -4.06 4.34 1.74 -1.26 -4.89 116.66 118.95 1hcg n ARG 71 Ca -0.18 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.57 1hcg n ARG 71 Cb 0.53 -1.08 -0.15 0.00 -1.02 0.00 0.00 32.46 30.74 1hcg n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1hcg s ASN 72 N -3.26 4.47 0.00 0.55 2.47 -1.26 0.23 114.94 118.13 1hcg s ASN 72 Ca -0.01 -1.45 0.00 0.00 0.42 0.00 0.00 52.86 51.81 1hcg s ASN 72 Cb 0.01 -1.55 0.00 0.00 -1.45 0.00 0.00 41.25 38.26 1hcg s ASN 72 CO 0.13 -0.20 0.42 0.41 -3.72 0.00 0.00 177.10 174.13 1hcg n THR 73 N 4.42 0.42 -2.61 -5.21 -1.04 2.69 -3.57 114.28 109.39 1hcg n THR 73 Ca -0.13 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1hcg n THR 73 Cb 0.42 -0.78 0.03 0.00 -1.82 0.00 0.00 70.33 68.18 1hcg n THR 73 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1hcg n GLU 74 N 1.05 0.47 -1.81 -2.82 2.13 -1.26 -4.90 120.64 113.50 1hcg n GLU 74 Ca 0.00 -0.66 -0.01 0.00 0.66 0.00 0.00 57.16 57.14 1hcg n GLU 74 Cb 0.17 0.08 0.01 0.00 0.27 0.00 0.00 31.44 31.97 1hcg n GLU 74 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1hcg n GLN 75 N -0.55 0.20 -2.74 5.31 7.27 -1.23 -5.07 117.38 120.57 1hcg n GLN 75 Ca -0.13 -0.42 -0.02 0.00 0.07 0.00 0.00 57.00 56.51 1hcg n GLN 75 Cb 0.66 0.54 0.10 0.00 2.41 0.00 0.00 30.24 33.95 1hcg n GLN 75 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1hcg n GLU 76 N -0.14 1.49 0.00 3.69 2.13 -1.26 -4.92 120.64 121.63 1hcg n GLU 76 Ca -0.01 -2.17 0.00 0.00 0.66 0.00 0.00 57.16 55.64 1hcg n GLU 76 Cb 0.13 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.43 1hcg n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1hcg n GLU 77 N -1.11 0.00 0.00 5.31 2.13 -1.26 -4.81 120.64 120.90 1hcg n GLU 77 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1hcg n GLU 77 Cb 0.85 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 31.14 1hcg n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hcg n GLY 78 N -0.48 -2.27 2.16 8.31 0.00 -1.26 -4.90 105.19 106.75 1hcg n GLY 78 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1hcg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcg n GLY 79 N -0.67 2.10 3.31 -0.02 0.00 -1.26 -4.86 105.19 103.78 1hcg n GLY 79 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1hcg n GLY 79 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1hcg n GLU 80 N 0.00 0.05 -3.40 1.61 2.13 -0.69 -4.29 120.64 116.05 1hcg n GLU 80 Ca 0.00 0.05 0.02 0.00 0.66 0.00 0.00 57.16 57.88 1hcg n GLU 80 Cb 0.00 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.17 1hcg n GLU 80 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hcg s ALA 81 N -2.05 -2.66 0.14 4.31 0.00 -0.06 -4.90 121.76 116.53 1hcg s ALA 81 Ca 0.56 2.04 -0.03 0.00 0.00 0.00 0.00 51.96 54.53 1hcg s ALA 81 Cb -0.30 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1hcg s ALA 81 CO 0.67 -1.00 0.34 0.08 0.00 0.00 0.00 175.76 175.86 1hcg s VAL 82 N 2.55 5.23 -0.10 0.00 1.01 -1.26 -1.47 120.40 126.36 1hcg s VAL 82 Ca -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1hcg s VAL 82 Cb -0.07 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1hcg s VAL 82 CO -0.17 0.01 0.24 -1.00 0.00 0.00 0.00 175.10 174.17 1hcg s HIS 83 N -1.68 -0.31 0.43 5.22 3.76 0.74 -4.97 115.29 118.48 1hcg s HIS 83 Ca 0.39 0.73 -0.09 0.00 -0.15 0.00 0.00 55.06 55.94 1hcg s HIS 83 Cb -0.12 0.06 -0.06 0.00 1.11 0.00 0.00 32.58 33.57 1hcg s HIS 83 CO 0.26 -0.20 0.78 -1.21 -0.85 0.00 0.00 174.74 173.53 1hcg s GLU 84 N 0.93 3.70 -0.09 1.40 2.02 -1.26 -0.95 118.70 124.46 1hcg s GLU 84 Ca -0.07 0.40 -0.24 0.00 0.02 0.00 0.00 54.97 55.09 1hcg s GLU 84 Cb -0.08 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 1hcg s GLU 84 CO -0.06 -0.10 0.74 0.08 0.02 0.00 0.00 175.26 175.94 1hcg s VAL 85 N -2.50 5.00 -0.10 2.63 1.01 -1.26 -1.41 120.40 123.78 1hcg s VAL 85 Ca 0.50 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 1hcg s VAL 85 Cb -0.10 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1hcg s VAL 85 CO 0.36 0.20 -0.04 -0.08 0.00 0.00 0.00 175.10 175.53 1hcg h GLU 86 N 6.91 0.00 -4.42 2.72 4.81 -0.00 -3.45 114.58 121.15 1hcg h GLU 86 Ca -0.38 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.57 1hcg h GLU 86 Cb 1.18 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.33 1hcg h GLU 86 CO 0.77 0.00 -0.74 0.14 -0.73 0.00 0.00 179.01 178.45 1hcg s VAL 87 N -1.64 0.45 -0.19 0.32 -7.23 -1.17 -5.01 120.40 105.93 1hcg s VAL 87 Ca -0.04 -0.80 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1hcg s VAL 87 Cb 0.01 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 1hcg s VAL 87 CO 0.06 -0.24 -0.02 0.54 -0.31 0.00 0.00 175.10 175.12 1hcg s VAL 88 N -1.00 3.81 -0.35 1.32 0.11 -1.26 -0.46 120.40 122.57 1hcg s VAL 88 Ca -0.07 -0.36 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1hcg s VAL 88 Cb -0.07 -2.71 0.07 0.00 -1.53 0.00 0.00 36.38 32.13 1hcg s VAL 88 CO 0.00 0.44 0.10 -0.63 -3.33 0.00 0.00 175.10 171.68 1hcg s ILE 89 N 0.95 3.31 0.08 7.04 1.01 -0.22 -4.37 121.20 129.00 1hcg s ILE 89 Ca 0.01 -1.54 -0.05 0.00 0.00 0.00 0.00 60.65 59.06 1hcg s ILE 89 Cb -0.14 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1hcg s ILE 89 CO 0.01 -0.33 0.32 -0.75 0.00 0.00 0.00 174.94 174.20 1hcg s LYS 90 N 1.26 3.59 0.13 2.79 2.20 -0.93 -1.54 119.74 127.24 1hcg s LYS 90 Ca 0.00 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.20 1hcg s LYS 90 Cb -0.21 -2.97 -0.07 0.00 -1.51 0.00 0.00 37.83 33.07 1hcg s LYS 90 CO -0.01 0.56 1.26 -1.58 -0.36 0.00 0.00 175.35 175.22 1hcg s HIS 91 N -1.49 3.36 -0.90 4.03 5.65 -1.23 -1.09 115.29 123.62 1hcg s HIS 91 Ca 0.35 1.24 0.21 0.00 0.25 0.00 0.00 55.06 57.11 1hcg s HIS 91 Cb -0.13 -3.51 0.85 0.00 -1.18 0.00 0.00 32.58 28.61 1hcg s HIS 91 CO 0.22 -1.61 1.65 0.27 -0.65 0.00 0.00 174.74 174.62 1hcg n ASN 92 N 3.34 0.16 -1.16 9.88 6.94 0.26 -2.86 115.26 131.81 1hcg n ASN 92 Ca 0.08 0.53 0.11 0.00 -0.02 0.00 0.00 54.58 55.28 1hcg n ASN 92 Cb 0.44 -0.57 0.28 0.00 -2.36 0.00 0.00 39.78 37.57 1hcg n ASN 92 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1hcg n ARG 93 N -1.67 2.48 -1.87 -3.83 5.12 -1.26 -4.96 116.66 110.67 1hcg n ARG 93 Ca 0.04 -2.28 -0.42 0.00 -1.93 0.00 0.00 57.85 53.27 1hcg n ARG 93 Cb 0.24 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 1hcg n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1hcg s PHE 94 N -1.27 2.81 -0.07 -1.55 5.36 -1.13 -4.62 117.98 117.51 1hcg s PHE 94 Ca 0.42 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.85 1hcg s PHE 94 Cb 0.23 -4.00 -0.03 0.00 -0.34 0.00 0.00 43.02 38.88 1hcg s PHE 94 CO 0.30 -3.84 -0.11 0.99 -1.46 0.00 0.00 175.22 171.11 1hcg s THR 95 N 1.61 3.35 -0.35 0.12 2.01 -0.72 -5.01 115.64 116.66 1hcg s THR 95 Ca 0.73 -0.61 0.27 0.00 0.31 0.00 0.00 61.69 62.39 1hcg s THR 95 Cb -0.44 -2.35 0.32 0.00 0.01 0.00 0.00 72.50 70.03 1hcg s THR 95 CO 0.32 0.59 1.79 0.11 -0.69 0.00 0.00 174.62 176.74 1hcg h LYS 96 N 5.46 0.00 -0.02 4.92 6.56 -1.95 -2.37 116.57 129.18 1hcg h LYS 96 Ca -0.45 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.02 1hcg h LYS 96 Cb 1.17 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 1hcg h LYS 96 CO 0.52 0.00 -0.53 0.93 -2.06 0.00 0.00 179.45 178.31 1hcg h GLU 97 N 0.00 0.06 0.00 3.15 4.39 -1.96 -3.35 114.58 116.87 1hcg h GLU 97 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1hcg h GLU 97 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1hcg h GLU 97 CO 0.00 0.58 0.00 2.41 -1.16 0.00 0.00 179.01 180.84 1hcg n THR 98 N -3.91 0.00 -2.13 1.13 -1.04 -1.23 -5.01 114.28 102.10 1hcg n THR 98 Ca -0.02 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1hcg n THR 98 Cb 0.55 1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 70.41 1hcg n THR 98 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1hcg n TYR 99 N -0.15 -1.05 -2.59 -1.42 4.02 -0.89 -4.97 117.16 110.10 1hcg n TYR 99 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1hcg n TYR 99 Cb 0.09 -2.86 -0.05 0.00 -0.02 0.00 0.00 39.34 36.51 1hcg n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1hcg s ASP 100 N -2.07 7.06 -1.07 7.72 2.15 -1.25 -3.56 116.67 125.65 1hcg s ASP 100 Ca 0.00 2.05 -0.12 0.00 0.43 0.00 0.00 52.55 54.91 1hcg s ASP 100 Cb 0.00 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1hcg s ASP 100 CO 0.00 -0.28 0.86 0.49 -0.17 0.00 0.00 175.17 176.07 1hcg n PHE 101 N 0.47 -2.25 -2.04 -5.34 3.01 -1.26 -1.76 117.46 108.29 1hcg n PHE 101 Ca 0.02 0.70 -0.39 0.00 1.01 0.00 0.00 57.45 58.79 1hcg n PHE 101 Cb 0.48 -3.83 -0.01 0.00 -0.01 0.00 0.00 39.48 36.12 1hcg n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1hcg n ASP 102 N -2.94 7.82 -4.11 4.37 2.03 -1.23 -4.24 116.55 118.24 1hcg n ASP 102 Ca -0.08 -3.23 -0.20 0.00 0.52 0.00 0.00 54.79 51.80 1hcg n ASP 102 Cb 0.60 -1.32 -0.14 0.00 -0.72 0.00 0.00 41.12 39.55 1hcg n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1hcg s ILE 103 N -1.75 1.01 -0.09 5.18 2.07 -1.26 -3.80 121.20 122.56 1hcg s ILE 103 Ca 0.52 -0.84 -0.19 0.00 -1.41 0.00 0.00 60.65 58.74 1hcg s ILE 103 Cb 0.21 -0.90 0.04 0.00 0.13 0.00 0.00 42.46 41.93 1hcg s ILE 103 CO -0.12 0.06 0.45 0.00 -1.91 0.00 0.00 174.94 173.43 1hcg s ALA 104 N -0.69 -1.14 -0.04 1.50 0.00 -0.76 -3.47 121.76 117.15 1hcg s ALA 104 Ca 0.02 0.95 0.05 0.00 0.00 0.00 0.00 51.96 52.98 1hcg s ALA 104 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1hcg s ALA 104 CO 0.01 -0.27 -0.19 0.08 0.00 0.00 0.00 175.76 175.40 1hcg s VAL 105 N -0.62 1.52 -0.01 0.00 1.01 -0.59 -1.28 120.40 120.43 1hcg s VAL 105 Ca -0.07 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1hcg s VAL 105 Cb -0.03 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1hcg s VAL 105 CO 0.04 0.43 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 1hcg s LEU 106 N -0.12 2.41 -0.21 3.92 1.43 0.63 -1.06 118.68 125.69 1hcg s LEU 106 Ca -0.01 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1hcg s LEU 106 Cb -0.11 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1hcg s LEU 106 CO 0.02 0.31 0.02 -0.60 0.23 0.00 0.00 176.35 176.32 1hcg s ARG 107 N -0.90 3.64 0.46 1.70 3.52 0.39 -1.76 118.95 126.00 1hcg s ARG 107 Ca 0.12 -0.50 -0.20 0.00 -0.13 0.00 0.00 55.73 55.02 1hcg s ARG 107 Cb -0.10 -3.14 -0.10 0.00 -1.56 0.00 0.00 34.95 30.04 1hcg s ARG 107 CO 0.01 -0.03 0.97 -0.51 -0.81 0.00 0.00 175.30 174.93 1hcg s LEU 108 N 1.13 3.85 0.45 -0.88 1.43 0.30 0.67 118.68 125.64 1hcg s LEU 108 Ca 0.03 1.69 0.25 0.00 -1.03 0.00 0.00 54.13 55.07 1hcg s LEU 108 Cb -0.14 -4.53 0.55 0.00 0.03 0.00 0.00 46.19 42.09 1hcg s LEU 108 CO 0.02 -0.46 1.68 0.11 0.23 0.00 0.00 176.35 177.93 1hcg h LYS 109 N 1.63 0.00 -3.28 1.70 1.57 -1.54 -3.41 116.57 113.24 1hcg h LYS 109 Ca -0.49 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.11 1hcg h LYS 109 Cb 1.19 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.23 1hcg h LYS 109 CO 0.61 0.04 -0.50 0.95 -0.57 0.00 0.00 179.45 179.97 1hcg s THR 110 N -3.30 -0.00 0.73 -0.16 -4.23 -1.26 -5.01 115.64 102.41 1hcg s THR 110 Ca 0.05 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1hcg s THR 110 Cb 0.06 -0.27 0.04 0.00 1.34 0.00 0.00 72.50 73.67 1hcg s THR 110 CO 0.65 0.00 1.12 -2.16 -0.54 0.00 0.00 174.62 173.69 1hcg s PRO 111 N 0.18 2.36 0.25 3.99 0.04 -1.26 -4.87 135.00 135.69 1hcg s PRO 111 Ca -0.01 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.21 1hcg s PRO 111 Cb -0.02 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1hcg s PRO 111 CO -0.00 -1.59 0.73 0.42 0.04 0.00 0.00 177.00 176.60 1hcg s ILE 112 N -2.54 4.59 -0.47 0.56 1.01 -0.11 -5.01 121.20 119.24 1hcg s ILE 112 Ca 0.66 1.20 -0.16 0.00 0.00 0.00 0.00 60.65 62.34 1hcg s ILE 112 Cb -0.20 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.53 1hcg s ILE 112 CO 0.49 0.09 0.43 -0.89 0.00 0.00 0.00 174.94 175.06 1hcg s THR 113 N -1.66 5.15 0.12 2.92 2.01 -1.26 -4.72 115.64 118.21 1hcg s THR 113 Ca 0.46 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 1hcg s THR 113 Cb -0.15 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.14 1hcg s THR 113 CO 0.20 -0.57 1.59 -0.36 -0.69 0.00 0.00 174.62 174.79 1hcg s PHE 114 N 1.89 2.78 0.05 4.92 0.08 -1.26 -4.93 117.98 121.51 1hcg s PHE 114 Ca 0.07 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.62 1hcg s PHE 114 Cb -0.22 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.31 1hcg s PHE 114 CO 0.09 -3.55 0.08 2.89 -0.10 0.00 0.00 175.22 174.62 1hcg n ARG 115 N 4.71 0.12 -1.82 0.44 1.85 -0.99 -5.02 116.66 115.95 1hcg n ARG 115 Ca 0.15 -0.36 -0.42 0.00 -1.00 0.00 0.00 57.85 56.22 1hcg n ARG 115 Cb 0.40 0.37 -0.03 0.00 -1.05 0.00 0.00 32.46 32.15 1hcg n ARG 115 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1hcg s MET 116 N -2.08 4.17 -0.16 2.89 -2.45 -1.26 -1.72 119.30 118.69 1hcg s MET 116 Ca 0.03 2.47 0.00 0.00 -1.25 0.00 0.00 55.69 56.95 1hcg s MET 116 Cb -0.00 -3.40 0.00 0.00 1.25 0.00 0.00 34.83 32.67 1hcg s MET 116 CO 0.02 -0.74 0.00 0.09 1.05 0.00 0.00 175.02 175.44 1hcg n ASN 117 N 4.97 -3.34 -3.46 1.11 5.03 -1.26 -4.97 115.26 113.33 1hcg n ASN 117 Ca 0.16 0.04 -0.26 0.00 0.87 0.00 0.00 54.58 55.39 1hcg n ASN 117 Cb 0.38 -0.97 -0.12 0.00 -1.02 0.00 0.00 39.78 38.05 1hcg n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1hcg s VAL 118 N -2.00 -0.03 0.12 2.41 1.01 -0.70 -4.04 120.40 117.17 1hcg s VAL 118 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 1hcg s VAL 118 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1hcg s VAL 118 CO 0.00 -0.82 0.26 0.00 0.00 0.00 0.00 175.10 174.53 1hcg s ALA 119 N 1.47 -0.25 0.45 5.51 0.00 -0.52 -2.34 121.76 126.10 1hcg s ALA 119 Ca 0.15 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1hcg s ALA 119 Cb -0.19 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1hcg s ALA 119 CO -0.11 -0.58 0.78 -1.25 0.00 0.00 0.00 175.76 174.59 1hcg s PRO 120 N -3.89 3.62 -0.18 0.00 0.05 -1.26 -2.21 135.00 131.13 1hcg s PRO 120 Ca 0.09 0.29 -0.24 0.00 0.05 0.00 0.00 61.00 61.19 1hcg s PRO 120 Cb 0.04 -2.38 -0.02 0.00 0.05 0.00 0.00 34.50 32.19 1hcg s PRO 120 CO -0.07 -0.14 0.79 0.00 0.05 0.00 0.00 177.00 177.63 1hcg s ALA 121 N -2.61 3.53 0.40 8.56 0.00 0.23 -4.84 121.76 127.02 1hcg s ALA 121 Ca 0.49 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 1hcg s ALA 121 Cb -0.10 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1hcg s ALA 121 CO 0.40 -0.65 1.31 0.00 0.00 0.00 0.00 175.76 176.82 1hcg s LEU 123 N -2.34 4.17 0.00 0.00 1.43 -1.26 -0.69 118.68 119.99 1hcg s LEU 123 Ca 0.56 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.28 1hcg s LEU 123 Cb -0.38 -2.74 0.15 0.00 0.03 0.00 0.00 46.19 43.25 1hcg s LEU 123 CO 0.50 -0.16 0.83 -0.81 0.23 0.00 0.00 176.35 176.94 1hcg n PRO 124 N 4.60 -1.08 -4.28 1.29 -0.04 -1.26 -4.97 135.00 129.26 1hcg n PRO 124 Ca -0.05 -1.30 -0.35 0.00 -0.04 0.00 0.00 63.50 61.77 1hcg n PRO 124 Cb 0.51 -0.91 -0.10 0.00 -0.04 0.00 0.00 33.50 32.96 1hcg n PRO 124 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1hcg s GLU 124 N -4.83 3.31 0.07 0.54 2.02 -1.26 -5.02 118.70 113.52 1hcg s GLU 124 Ca 0.48 -0.40 -0.15 0.00 0.02 0.00 0.00 54.97 54.93 1hcg s GLU 124 Cb -0.02 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 1hcg s GLU 124 CO 0.34 0.55 1.26 -0.09 0.02 0.00 0.00 175.26 177.35 1hcg h ARG 125 N 5.68 -0.03 -0.30 1.61 2.43 -1.97 0.33 114.38 122.12 1hcg h ARG 125 Ca -0.45 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.56 1hcg h ARG 125 Cb 1.19 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1hcg h ARG 125 CO 0.59 -0.02 -0.43 -0.44 -1.51 0.00 0.00 179.97 178.16 1hcg h ASP 126 N -0.03 0.90 -0.50 -3.80 3.32 -1.98 -1.56 116.42 112.77 1hcg h ASP 126 Ca 0.07 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.65 1hcg h ASP 126 Cb 0.21 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1hcg h ASP 126 CO -0.43 1.23 0.26 -0.25 -1.72 0.00 0.00 179.24 178.34 1hcg h TRP 127 N 0.60 0.48 0.62 4.55 7.01 -1.97 -2.42 115.95 124.82 1hcg h TRP 127 Ca 0.03 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1hcg h TRP 127 Cb 1.03 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1hcg h TRP 127 CO 0.07 0.24 -0.45 0.00 -2.79 0.00 0.00 178.44 175.51 1hcg h ALA 128 N 1.26 -1.09 -0.88 2.65 0.00 -0.08 0.23 119.26 121.35 1hcg h ALA 128 Ca 0.22 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.15 1hcg h ALA 128 Cb 0.11 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.35 1hcg h ALA 128 CO -0.15 -1.14 0.13 0.93 0.00 0.00 0.00 179.25 179.02 1hcg h GLU 129 N -1.03 0.12 0.01 0.00 4.39 -1.23 0.23 114.58 117.06 1hcg h GLU 129 Ca -0.08 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1hcg h GLU 129 Cb 0.86 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1hcg h GLU 129 CO 0.03 0.08 -0.00 1.03 -1.16 0.00 0.00 179.01 178.99 1hcg h SER 130 N 0.12 -0.01 0.00 1.42 0.87 -1.31 -3.35 113.55 111.30 1hcg h SER 130 Ca 0.53 -0.81 -0.15 0.00 -1.23 0.00 0.00 61.79 60.13 1hcg h SER 130 Cb 1.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1hcg h SER 130 CO -0.73 0.87 -0.90 0.74 -0.53 0.00 0.00 176.83 176.28 1hcg h THR 131 N -0.96 0.91 0.21 2.23 2.02 -0.29 -3.36 112.91 113.67 1hcg h THR 131 Ca -0.00 -2.01 -0.01 0.00 0.77 0.00 0.00 66.41 65.16 1hcg h THR 131 Cb 0.82 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1hcg h THR 131 CO 0.00 0.31 -0.10 -0.07 0.37 0.00 0.00 175.52 176.03 1hcg h LEU 131 N -1.00 -0.24 -2.83 2.58 4.07 -0.77 -3.30 115.31 113.82 1hcg h LEU 131 Ca -0.23 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1hcg h LEU 131 Cb 1.10 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1hcg h LEU 131 CO -0.14 0.17 0.05 0.24 -1.08 0.00 0.00 178.44 177.68 1hcg h MET 131 N -0.97 0.00 -0.01 1.13 2.86 -1.13 -1.18 114.93 115.63 1hcg h MET 131 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1hcg h MET 131 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1hcg h MET 131 CO 0.05 0.00 -0.04 2.41 1.06 0.00 0.00 176.91 180.38 1hcg n THR 132 N -3.10 0.00 -1.69 2.22 -1.04 -1.25 -4.85 114.28 104.56 1hcg n THR 132 Ca -0.03 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.54 1hcg n THR 132 Cb 0.12 0.12 0.05 0.00 -1.82 0.00 0.00 70.33 68.80 1hcg n THR 132 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1hcg s GLN 133 N -2.14 2.84 0.19 -2.82 2.00 -0.45 -4.98 119.66 114.30 1hcg s GLN 133 Ca 0.37 0.73 0.08 0.00 -2.00 0.00 0.00 55.36 54.54 1hcg s GLN 133 Cb 0.21 -2.00 0.04 0.00 0.80 0.00 0.00 33.01 32.06 1hcg s GLN 133 CO 0.39 -1.11 1.42 0.87 -0.50 0.00 0.00 175.29 176.36 1hcg h LYS 134 N -0.71 0.01 -3.75 1.67 1.57 -1.89 -3.43 116.57 110.05 1hcg h LYS 134 Ca -0.45 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.17 1hcg h LYS 134 Cb 1.23 0.01 -0.20 0.00 0.08 0.00 0.00 32.23 33.35 1hcg h LYS 134 CO 0.60 0.84 -0.56 0.99 -0.57 0.00 0.00 179.45 180.75 1hcg s THR 135 N -3.11 0.11 0.39 -0.16 2.01 -1.26 -0.67 115.64 112.95 1hcg s THR 135 Ca -0.00 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1hcg s THR 135 Cb 0.11 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1hcg s THR 135 CO 0.80 -0.50 0.12 0.61 -0.69 0.00 0.00 174.62 174.95 1hcg n GLY 136 N 1.24 3.35 3.00 4.40 0.00 0.06 -4.75 105.19 112.49 1hcg n GLY 136 Ca -0.22 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.43 1hcg n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hcg s ILE 137 N -2.93 0.96 0.10 -0.61 1.01 0.23 -0.85 121.20 119.11 1hcg s ILE 137 Ca 0.16 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.46 1hcg s ILE 137 Cb 0.01 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1hcg s ILE 137 CO 0.12 0.31 -0.01 0.54 0.00 0.00 0.00 174.94 175.89 1hcg s VAL 138 N 0.53 3.89 0.04 2.92 0.11 0.14 -0.94 120.40 127.10 1hcg s VAL 138 Ca -0.10 -1.08 -0.05 0.00 -2.93 0.00 0.00 61.98 57.81 1hcg s VAL 138 Cb -0.13 -2.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1hcg s VAL 138 CO 0.02 0.09 0.09 -0.94 -3.33 0.00 0.00 175.10 171.04 1hcg s SER 139 N -2.37 0.19 0.00 3.54 1.04 -1.22 -2.05 113.70 112.83 1hcg s SER 139 Ca 0.25 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1hcg s SER 139 Cb -0.11 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1hcg s SER 139 CO 0.18 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1hcg n GLY 140 N 0.70 0.96 3.99 7.32 0.00 -0.15 -4.33 105.19 113.68 1hcg n GLY 140 Ca -0.19 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 1hcg n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hcg s PHE 141 N -2.00 1.53 0.00 1.61 0.08 -1.26 -1.17 117.98 116.77 1hcg s PHE 141 Ca 0.00 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1hcg s PHE 141 Cb 0.00 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1hcg s PHE 141 CO 0.00 -0.92 0.00 0.41 -0.10 0.00 0.00 175.22 174.61 1hcg n GLY 142 N -2.08 2.96 3.03 4.36 0.00 -1.26 -3.98 105.19 108.23 1hcg n GLY 142 Ca 0.10 -1.85 -0.50 0.00 0.00 0.00 0.00 46.02 43.77 1hcg n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hcg n ARG 143 N -0.03 0.00 -0.03 1.61 1.74 0.15 -2.62 116.66 117.49 1hcg n ARG 143 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1hcg n ARG 143 Cb 0.00 -1.26 0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1hcg n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1hcg n THR 144 N 1.16 0.39 -0.41 0.55 -2.24 -1.23 0.87 114.28 113.38 1hcg n THR 144 Ca 0.17 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1hcg n THR 144 Cb 0.09 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1hcg n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1hcg n HIS 145 N 0.13 0.00 -0.06 4.78 8.25 -1.26 -4.28 115.22 122.78 1hcg n HIS 145 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1hcg n HIS 145 Cb 0.20 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1hcg n HIS 145 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1hcg n SER 152 N 0.00 0.53 -0.50 0.41 7.64 -1.26 -5.07 113.62 115.37 1hcg n SER 152 Ca 0.00 -0.78 0.07 0.00 1.01 0.00 0.00 58.87 59.17 1hcg n SER 152 Cb 0.00 0.37 0.17 0.00 -1.01 0.00 0.00 64.21 63.74 1hcg n SER 152 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1hcg n THR 153 N -0.37 1.92 -2.46 0.44 -2.24 -1.26 -4.98 114.28 105.33 1hcg n THR 153 Ca 0.00 -2.74 -0.32 0.00 -2.27 0.00 0.00 64.05 58.72 1hcg n THR 153 Cb 0.01 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 1hcg n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hcg s ARG 154 N -2.84 3.98 -0.34 -0.78 0.52 -1.26 0.62 118.95 118.85 1hcg s ARG 154 Ca 0.35 0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 56.24 1hcg s ARG 154 Cb 0.34 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.68 1hcg s ARG 154 CO -0.05 -0.24 1.09 -1.17 0.02 0.00 0.00 175.30 174.95 1hcg s LEU 155 N -3.95 3.89 0.35 2.53 2.96 0.62 -4.52 118.68 120.55 1hcg s LEU 155 Ca 0.59 0.97 0.09 0.00 -0.22 0.00 0.00 54.13 55.56 1hcg s LEU 155 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1hcg s LEU 155 CO 0.29 -0.94 0.07 -0.54 -1.32 0.00 0.00 176.35 173.91 1hcg s LYS 156 N 3.78 2.18 0.05 1.98 1.02 -0.31 0.52 119.74 128.95 1hcg s LYS 156 Ca 0.46 -1.70 0.03 0.00 0.02 0.00 0.00 55.97 54.78 1hcg s LYS 156 Cb -0.11 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1hcg s LYS 156 CO 0.18 0.10 -0.09 0.00 -0.92 0.00 0.00 175.35 174.62 1hcg s MET 157 N -3.77 0.58 -0.02 1.68 0.23 -0.77 -0.98 119.30 116.25 1hcg s MET 157 Ca 0.36 -0.82 0.01 0.00 -1.03 0.00 0.00 55.69 54.21 1hcg s MET 157 Cb -0.00 -0.36 0.02 0.00 -1.53 0.00 0.00 34.83 32.96 1hcg s MET 157 CO 0.21 0.06 -0.00 -1.17 -2.03 0.00 0.00 175.02 172.09 1hcg s LEU 158 N -1.68 1.36 -0.37 0.18 0.20 -0.87 -0.91 118.68 116.59 1hcg s LEU 158 Ca -0.08 -0.03 -0.17 0.00 0.69 0.00 0.00 54.13 54.54 1hcg s LEU 158 Cb -0.09 -0.20 0.00 0.00 -0.43 0.00 0.00 46.19 45.47 1hcg s LEU 158 CO 0.00 -0.07 0.46 -0.70 -0.29 0.00 0.00 176.35 175.75 1hcg s GLU 159 N 0.77 3.46 -0.14 1.98 2.12 -1.26 -0.68 118.70 124.95 1hcg s GLU 159 Ca -0.08 -0.39 -0.05 0.00 0.36 0.00 0.00 54.97 54.81 1hcg s GLU 159 Cb -0.11 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 1hcg s GLU 159 CO -0.01 -0.68 0.02 0.14 -0.54 0.00 0.00 175.26 174.19 1hcg s VAL 160 N 2.24 4.42 0.53 3.70 -7.23 -0.03 -4.93 120.40 119.11 1hcg s VAL 160 Ca 0.15 -0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 59.96 1hcg s VAL 160 Cb -0.16 -2.94 -0.07 0.00 0.56 0.00 0.00 36.38 33.78 1hcg s VAL 160 CO 0.13 0.52 1.05 -2.84 -0.31 0.00 0.00 175.10 173.65 1hcg s PRO 161 N -0.04 3.59 0.41 4.82 0.02 -1.26 -0.76 135.00 141.77 1hcg s PRO 161 Ca 0.04 1.34 -0.21 0.00 0.02 0.00 0.00 61.00 62.19 1hcg s PRO 161 Cb -0.13 -2.06 -0.11 0.00 0.02 0.00 0.00 34.50 32.22 1hcg s PRO 161 CO 0.02 -0.61 0.93 0.71 -0.33 0.00 0.00 177.00 177.72 1hcg s TYR 162 N -2.11 3.35 -0.08 6.54 2.02 0.16 -0.47 117.35 126.77 1hcg s TYR 162 Ca 0.67 1.59 0.04 0.00 -0.37 0.00 0.00 57.07 58.99 1hcg s TYR 162 Cb -0.17 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 38.56 1hcg s TYR 162 CO 0.26 -0.06 -0.19 0.08 -1.57 0.00 0.00 175.55 174.08 1hcg s VAL 163 N -2.11 1.62 0.37 0.71 1.01 -1.15 -4.90 120.40 115.95 1hcg s VAL 163 Ca 0.60 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 1hcg s VAL 163 Cb -0.10 -1.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.77 1hcg s VAL 163 CO 0.14 0.46 1.30 1.51 0.00 0.00 0.00 175.10 178.52 1hcg s ASP 164 N 0.38 6.54 0.26 3.32 1.47 -1.26 -4.73 116.67 122.65 1hcg s ASP 164 Ca -0.14 2.66 -0.02 0.00 1.18 0.00 0.00 52.55 56.23 1hcg s ASP 164 Cb -0.16 -2.64 0.50 0.00 -0.34 0.00 0.00 42.92 40.28 1hcg s ASP 164 CO 0.06 -0.69 1.75 -0.09 0.68 0.00 0.00 175.17 176.88 1hcg h ARG 165 N 3.02 0.54 0.69 2.11 2.43 -1.94 0.38 114.38 121.60 1hcg h ARG 165 Ca -0.49 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1hcg h ARG 165 Cb 1.24 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1hcg h ARG 165 CO 0.64 0.36 -0.39 -0.91 -1.51 0.00 0.00 179.97 178.16 1hcg h ASN 166 N 0.56 -0.96 -0.04 -3.80 -0.26 -1.99 0.84 115.58 109.94 1hcg h ASN 166 Ca 0.44 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 56.24 1hcg h ASN 166 Cb 0.64 0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 38.17 1hcg h ASN 166 CO -0.37 -0.62 0.03 0.28 -1.06 0.00 0.00 177.43 175.69 1hcg h SER 167 N -1.00 0.00 0.69 5.81 0.02 -1.80 -0.80 113.55 116.47 1hcg h SER 167 Ca -0.09 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1hcg h SER 167 Cb 0.79 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.34 1hcg h SER 167 CO 0.11 0.00 -0.33 0.00 -1.14 0.00 0.00 176.83 175.47 1hcg h LYS 169 N -1.15 0.99 -0.12 0.00 1.57 0.12 -1.95 116.57 116.02 1hcg h LYS 169 Ca -0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1hcg h LYS 169 Cb 0.74 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1hcg h LYS 169 CO 0.16 0.65 0.02 1.25 -0.57 0.00 0.00 179.45 180.96 1hcg h LEU 170 N 1.02 0.20 -0.94 2.94 6.46 -1.16 -3.13 115.31 120.69 1hcg h LEU 170 Ca 0.38 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1hcg h LEU 170 Cb 0.15 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1hcg h LEU 170 CO -0.17 0.42 0.00 0.77 -0.62 0.00 0.00 178.44 178.84 1hcg h SER 171 N -0.03 0.00 -3.13 1.25 4.64 -0.82 -3.45 113.55 112.01 1hcg h SER 171 Ca 0.04 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.76 1hcg h SER 171 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.32 1hcg h SER 171 CO 0.00 0.00 -0.22 -0.55 -0.87 0.00 0.00 176.83 175.19 1hcg s SER 172 N -4.93 6.69 0.00 4.97 0.15 -0.77 -4.73 113.70 115.08 1hcg s SER 172 Ca 0.03 0.82 0.26 0.00 0.70 0.00 0.00 55.95 57.76 1hcg s SER 172 Cb 0.09 -2.24 1.53 0.00 -1.71 0.00 0.00 66.02 63.69 1hcg s SER 172 CO 0.48 0.21 1.89 -1.20 1.20 0.00 0.00 173.24 175.82 1hcg n SER 173 N 2.62 0.00 -4.10 5.45 7.64 -1.26 -4.87 113.62 119.09 1hcg n SER 173 Ca -0.12 -0.79 -0.08 0.00 1.01 0.00 0.00 58.87 58.89 1hcg n SER 173 Cb 0.52 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1hcg n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1hcg s PHE 174 N -2.01 0.59 0.43 1.43 0.08 -1.26 -5.13 117.98 112.11 1hcg s PHE 174 Ca 0.38 -1.10 -0.26 0.00 0.12 0.00 0.00 56.93 56.07 1hcg s PHE 174 Cb 0.18 -0.41 -0.09 0.00 -0.57 0.00 0.00 43.02 42.13 1hcg s PHE 174 CO 0.30 -0.41 1.41 1.51 -0.10 0.00 0.00 175.22 177.92 1hcg n ILE 175 N 0.06 2.56 -3.77 0.64 3.06 -1.26 -4.96 119.36 115.69 1hcg n ILE 175 Ca -0.12 -0.50 -0.37 0.00 -2.50 0.00 0.00 62.75 59.26 1hcg n ILE 175 Cb 0.62 -1.80 -0.12 0.00 0.54 0.00 0.00 39.64 38.88 1hcg n ILE 175 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1hcg s ILE 176 N -1.17 3.37 0.81 9.51 -1.09 -1.26 -5.07 121.20 126.29 1hcg s ILE 176 Ca 0.59 -1.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.05 1hcg s ILE 176 Cb -0.47 -3.23 0.14 0.00 -1.58 0.00 0.00 42.46 37.32 1hcg s ILE 176 CO 0.59 -0.59 1.12 0.42 -1.23 0.00 0.00 174.94 175.25 1hcg s THR 177 N 1.19 2.12 -2.16 2.92 -4.23 -1.26 -4.96 115.64 109.26 1hcg s THR 177 Ca 0.06 -0.30 0.17 0.00 -1.18 0.00 0.00 61.69 60.44 1hcg s THR 177 Cb -0.22 -2.81 0.42 0.00 1.34 0.00 0.00 72.50 71.22 1hcg s THR 177 CO -0.03 0.00 1.50 0.00 -0.54 0.00 0.00 174.62 175.55 1hcg n GLN 178 N -3.20 1.58 0.00 3.99 -0.00 -1.26 -2.53 117.38 115.96 1hcg n GLN 178 Ca 0.14 -0.87 0.14 0.00 -0.00 0.00 0.00 57.00 56.40 1hcg n GLN 178 Cb 0.60 -1.33 0.50 0.00 -0.00 0.00 0.00 30.24 30.01 1hcg n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1hcg n ASN 179 N 0.12 0.68 -4.48 2.61 3.02 -1.26 -4.87 115.26 111.08 1hcg n ASN 179 Ca 0.14 -0.66 -0.24 0.00 -0.03 0.00 0.00 54.58 53.79 1hcg n ASN 179 Cb 0.26 0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.34 1hcg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1hcg s MET 180 N -2.51 1.68 0.00 3.52 -1.94 -1.05 -0.14 119.30 118.85 1hcg s MET 180 Ca 0.26 -1.84 0.00 0.00 -1.71 0.00 0.00 55.69 52.40 1hcg s MET 180 Cb 0.20 -1.48 0.00 0.00 2.01 0.00 0.00 34.83 35.55 1hcg s MET 180 CO 0.50 0.13 0.00 1.97 -0.01 0.00 0.00 175.02 177.61 1hcg n PHE 181 N -0.67 0.00 -1.76 -0.03 1.16 -0.40 -4.76 117.46 111.01 1hcg n PHE 181 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.53 1hcg n PHE 181 Cb 0.63 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.50 1hcg n PHE 181 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1hcg s ALA 183 N -0.37 -0.73 0.00 0.00 0.00 0.20 -2.92 121.76 117.95 1hcg s ALA 183 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1hcg s ALA 183 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1hcg s ALA 183 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1hcg n GLY 184 N 0.64 0.72 3.22 0.00 0.00 0.39 -1.35 105.19 108.81 1hcg n GLY 184 Ca -0.19 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.62 1hcg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hcg s TYR 185 N -2.08 1.82 0.03 1.61 2.02 -1.26 -4.21 117.35 115.28 1hcg s TYR 185 Ca 0.00 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.18 1hcg s TYR 185 Cb 0.00 -1.16 -0.09 0.00 -0.40 0.00 0.00 41.96 40.30 1hcg s TYR 185 CO 0.00 -0.02 1.27 0.22 -1.57 0.00 0.00 175.55 175.45 1hcg h ASP 185 N 5.54 -0.58 0.00 2.29 1.82 -1.90 -3.40 116.42 120.19 1hcg h ASP 185 Ca -0.39 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.25 1hcg h ASP 185 Cb 1.14 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.31 1hcg h ASP 185 CO 0.47 -0.37 -1.12 0.41 -1.61 0.00 0.00 179.24 177.02 1hcg n THR 185 N -3.75 0.11 -1.73 2.25 -1.04 -1.26 0.14 114.28 108.98 1hcg n THR 185 Ca -0.07 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.44 1hcg n THR 185 Cb 0.25 -0.70 -0.02 0.00 -1.82 0.00 0.00 70.33 68.03 1hcg n THR 185 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1hcg n LYS 186 N -1.98 2.78 -2.36 -2.82 4.81 -1.26 -4.82 118.16 112.51 1hcg n LYS 186 Ca -0.03 1.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.98 1hcg n LYS 186 Cb 0.47 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1hcg n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1hcg n GLN 187 N 3.23 3.58 -3.61 1.64 6.02 -1.26 -4.70 117.38 122.28 1hcg n GLN 187 Ca 0.13 -3.52 -0.08 0.00 -0.01 0.00 0.00 57.00 53.52 1hcg n GLN 187 Cb 0.36 -2.95 -0.09 0.00 1.02 0.00 0.00 30.24 28.58 1hcg n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1hcg s GLU 188 N 0.59 0.35 0.08 -1.09 2.02 -1.26 -4.61 118.70 114.78 1hcg s GLU 188 Ca 0.40 1.01 -0.27 0.00 0.02 0.00 0.00 54.97 56.13 1hcg s GLU 188 Cb 0.09 0.29 0.08 0.00 0.10 0.00 0.00 34.13 34.69 1hcg s GLU 188 CO 0.00 -0.30 0.98 0.34 0.02 0.00 0.00 175.26 176.30 1hcg s ASP 189 N 2.63 -0.21 0.74 -0.19 2.15 -0.99 -4.49 116.67 116.31 1hcg s ASP 189 Ca 0.00 -0.26 -0.11 0.00 0.43 0.00 0.00 52.55 52.62 1hcg s ASP 189 Cb -0.12 0.42 0.03 0.00 -0.30 0.00 0.00 42.92 42.95 1hcg s ASP 189 CO -0.14 -0.74 1.08 0.00 -0.17 0.00 0.00 175.17 175.19 1hcg s ALA 190 N -3.13 2.46 0.00 3.66 0.00 -1.26 -0.26 121.76 123.23 1hcg s ALA 190 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1hcg s ALA 190 Cb -0.01 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1hcg s ALA 190 CO -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 175.76 174.25 1hcg n GLN 192 N 0.00 1.50 -0.69 0.00 7.27 -1.26 -1.37 117.38 122.82 1hcg n GLN 192 Ca 0.00 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1hcg n GLN 192 Cb 0.00 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 30.44 1hcg n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hcg n GLY 193 N 2.76 0.77 0.10 1.69 0.00 -1.26 0.32 105.19 109.57 1hcg n GLY 193 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1hcg n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hcg n ASP 194 N 0.00 0.76 -4.73 1.61 9.92 -0.47 -3.99 116.55 119.65 1hcg n ASP 194 Ca 0.00 0.24 -0.42 0.00 -0.53 0.00 0.00 54.79 54.08 1hcg n ASP 194 Cb 0.00 0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.99 1hcg n ASP 194 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1hcg s SER 195 N -5.06 6.61 0.00 -2.24 1.04 -1.26 -1.44 113.70 111.35 1hcg s SER 195 Ca 0.00 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.09 1hcg s SER 195 Cb 0.11 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1hcg s SER 195 CO 0.79 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1hcg n GLY 196 N 2.87 1.58 3.55 7.32 0.00 -0.80 -0.49 105.19 119.23 1hcg n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1hcg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hcg s GLY 197 N -2.33 1.56 0.17 -0.02 0.00 -0.52 -3.45 107.32 102.72 1hcg s GLY 197 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 1hcg s GLY 197 CO 0.00 0.00 1.12 -4.14 0.00 0.00 0.00 173.10 170.08 1hcg s PRO 198 N -5.32 4.56 -0.19 2.90 0.02 -1.26 -2.13 135.00 133.58 1hcg s PRO 198 Ca 0.70 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1hcg s PRO 198 Cb -0.11 -3.28 0.04 0.00 0.02 0.00 0.00 34.50 31.17 1hcg s PRO 198 CO 0.57 0.02 -0.13 -1.58 -0.33 0.00 0.00 177.00 175.54 1hcg s HIS 199 N -0.09 2.55 0.12 6.54 2.46 -0.56 -3.43 115.29 122.88 1hcg s HIS 199 Ca 0.51 -1.63 0.08 0.00 0.47 0.00 0.00 55.06 54.49 1hcg s HIS 199 Cb -0.30 -1.72 -0.04 0.00 -0.13 0.00 0.00 32.58 30.40 1hcg s HIS 199 CO 0.35 -0.76 -0.20 0.08 -2.47 0.00 0.00 174.74 171.74 1hcg s VAL 200 N 1.36 1.71 -0.04 0.89 1.01 -0.11 -0.59 120.40 124.62 1hcg s VAL 200 Ca 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.39 1hcg s VAL 200 Cb -0.15 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1hcg s VAL 200 CO -0.09 -0.13 -0.12 -0.89 0.00 0.00 0.00 175.10 173.87 1hcg s THR 201 N -1.38 1.06 0.16 3.92 2.01 -0.56 0.76 115.64 121.62 1hcg s THR 201 Ca 0.08 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1hcg s THR 201 Cb -0.09 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.41 1hcg s THR 201 CO 0.05 0.32 0.50 -0.60 -0.69 0.00 0.00 174.62 174.20 1hcg s ARG 202 N 0.26 3.84 -0.24 4.92 3.52 -1.26 -1.74 118.95 128.25 1hcg s ARG 202 Ca -0.06 0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.82 1hcg s ARG 202 Cb -0.11 -2.84 0.12 0.00 -1.56 0.00 0.00 34.95 30.55 1hcg s ARG 202 CO 0.02 0.44 0.28 0.12 -0.81 0.00 0.00 175.30 175.35 1hcg s PHE 203 N -1.59 -0.45 -1.29 5.12 5.36 -0.10 -4.91 117.98 120.12 1hcg s PHE 203 Ca 0.40 0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 56.53 1hcg s PHE 203 Cb -0.13 -0.32 -0.00 0.00 -0.34 0.00 0.00 43.02 42.22 1hcg s PHE 203 CO 0.20 -0.74 0.66 1.63 -1.46 0.00 0.00 175.22 175.50 1hcg n LYS 204 N 5.32 -3.84 -1.93 10.12 5.02 -1.26 -2.66 118.16 128.93 1hcg n LYS 204 Ca -0.04 0.56 -0.06 0.00 -2.02 0.00 0.00 58.31 56.75 1hcg n LYS 204 Cb 0.48 -4.89 -0.01 0.00 -0.02 0.00 0.00 35.03 30.59 1hcg n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1hcg n ASP 205 N -2.99 -2.59 -3.78 4.39 8.00 -1.26 -5.01 116.55 113.32 1hcg n ASP 205 Ca -0.26 0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.13 1hcg n ASP 205 Cb 0.66 -1.70 -0.14 0.00 -0.02 0.00 0.00 41.12 39.92 1hcg n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1hcg s THR 206 N -2.27 -0.03 -0.20 -3.53 2.01 -1.09 -5.14 115.64 105.39 1hcg s THR 206 Ca 0.00 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 1hcg s THR 206 Cb 0.00 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1hcg s THR 206 CO 0.00 0.05 0.19 -0.31 -0.69 0.00 0.00 174.62 173.85 1hcg s TYR 207 N 0.77 3.41 0.00 4.92 1.51 -1.26 -0.92 117.35 125.78 1hcg s TYR 207 Ca -0.06 0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1hcg s TYR 207 Cb -0.08 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 1hcg s TYR 207 CO -0.04 0.23 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.47 1hcg s PHE 208 N 0.52 2.79 0.30 2.71 0.08 -0.71 -1.98 117.98 121.70 1hcg s PHE 208 Ca 0.10 -0.10 -0.29 0.00 0.12 0.00 0.00 56.93 56.76 1hcg s PHE 208 Cb -0.12 -1.58 -0.10 0.00 -0.57 0.00 0.00 43.02 40.65 1hcg s PHE 208 CO 0.01 0.32 1.16 0.08 -0.10 0.00 0.00 175.22 176.68 1hcg s VAL 209 N -0.93 3.27 0.00 -0.44 1.01 0.13 -1.49 120.40 121.94 1hcg s VAL 209 Ca 0.15 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1hcg s VAL 209 Cb -0.11 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1hcg s VAL 209 CO 0.06 0.29 0.00 0.35 0.00 0.00 0.00 175.10 175.80 1hcg n THR 210 N 1.02 0.00 -3.88 3.92 -2.24 0.24 -4.50 114.28 108.84 1hcg n THR 210 Ca -0.01 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1hcg n THR 210 Cb 0.44 0.70 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1hcg n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hcg s GLY 211 N -0.20 0.09 -0.04 3.38 0.00 -0.48 -2.86 107.32 107.21 1hcg s GLY 211 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.43 1hcg s GLY 211 CO 0.00 2.33 -0.04 -0.42 0.00 0.00 0.00 173.10 174.97 1hcg s ILE 212 N -2.23 0.53 -0.07 0.90 1.01 -1.16 -1.49 121.20 118.69 1hcg s ILE 212 Ca 0.21 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 1hcg s ILE 212 Cb -0.02 -0.55 -0.08 0.00 0.01 0.00 0.00 42.46 41.82 1hcg s ILE 212 CO 0.05 0.22 2.08 0.52 0.00 0.00 0.00 174.94 177.81 1hcg n VAL 213 N 4.01 0.60 0.01 2.92 0.31 -0.91 -1.57 118.33 123.70 1hcg n VAL 213 Ca -0.25 -0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 63.79 1hcg n VAL 213 Cb 0.51 -2.40 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 1hcg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1hcg n SER 214 N 9.18 1.05 -3.13 4.52 2.88 -0.81 -1.90 113.62 125.42 1hcg n SER 214 Ca 0.24 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.81 1hcg n SER 214 Cb 0.42 -0.37 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1hcg n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1hcg s TRP 215 N -1.97 0.61 -0.20 0.66 1.48 0.17 -4.94 118.94 114.74 1hcg s TRP 215 Ca -0.05 -1.04 -0.36 0.00 -1.06 0.00 0.00 56.10 53.59 1hcg s TRP 215 Cb 0.01 0.35 0.14 0.00 -1.16 0.00 0.00 33.47 32.81 1hcg s TRP 215 CO 0.08 -1.33 1.30 0.20 -4.06 0.00 0.00 176.95 173.14 1hcg s GLY 216 N -3.15 -0.29 -0.69 3.67 0.00 -1.26 -0.64 107.32 104.95 1hcg s GLY 216 Ca 0.23 1.56 -0.21 0.00 0.00 0.00 0.00 44.72 46.30 1hcg s GLY 216 CO 0.16 0.49 0.91 -0.54 0.00 0.00 0.00 173.10 174.12 1hcg s GLU 217 N -2.24 3.19 2.60 2.90 2.02 -1.26 -4.90 118.70 121.01 1hcg s GLU 217 Ca 0.11 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.93 1hcg s GLU 217 Cb 0.00 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.87 1hcg s GLU 217 CO -0.04 -1.72 0.00 0.41 0.02 0.00 0.00 175.26 173.93 1hcg n GLY 218 N 5.32 -0.55 2.91 -1.39 0.00 -1.26 -4.58 105.19 105.64 1hcg n GLY 218 Ca -0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 1hcg n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hcg n ALA 221 N 4.02 -0.73 -1.83 0.00 0.00 -1.26 -4.92 120.51 115.79 1hcg n ALA 221 Ca -0.24 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1hcg n ALA 221 Cb 0.51 -2.58 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 1hcg n ALA 221 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1hcg s ARG 222 N -5.23 4.81 0.15 0.00 3.52 -1.26 -4.55 118.95 116.38 1hcg s ARG 222 Ca 0.08 1.53 -0.31 0.00 -0.13 0.00 0.00 55.73 56.90 1hcg s ARG 222 Cb -0.04 -3.28 -0.10 0.00 -1.56 0.00 0.00 34.95 29.97 1hcg s ARG 222 CO 0.10 0.43 1.62 0.15 -0.81 0.00 0.00 175.30 176.79 1hcg s LYS 223 N -1.02 4.19 0.00 5.12 1.02 -1.26 -3.08 119.74 124.70 1hcg s LYS 223 Ca 0.42 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.82 1hcg s LYS 223 Cb -0.26 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1hcg s LYS 223 CO 0.33 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1hcg n GLY 223 N 3.86 0.60 3.41 -3.33 0.00 0.36 -4.97 105.19 105.12 1hcg n GLY 223 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1hcg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hcg s LYS 224 N -0.18 1.48 0.42 1.61 -0.14 -1.18 -4.84 119.74 116.91 1hcg s LYS 224 Ca 0.00 -1.50 0.01 0.00 -1.36 0.00 0.00 55.97 53.13 1hcg s LYS 224 Cb 0.00 -1.79 0.01 0.00 -1.68 0.00 0.00 37.83 34.37 1hcg s LYS 224 CO 0.00 0.39 0.12 0.66 -0.76 0.00 0.00 175.35 175.75 1hcg n TYR 225 N 0.33 0.33 -3.76 3.18 4.01 -1.26 -4.60 117.16 115.39 1hcg n TYR 225 Ca -0.13 -1.94 -0.35 0.00 -0.16 0.00 0.00 57.90 55.31 1hcg n TYR 225 Cb 0.56 -0.30 -0.08 0.00 -0.31 0.00 0.00 39.34 39.20 1hcg n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1hcg s GLY 226 N -3.39 2.01 -0.20 2.72 0.00 -0.46 -4.44 107.32 103.57 1hcg s GLY 226 Ca 0.09 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 1hcg s GLY 226 CO 0.06 0.16 0.01 -0.26 0.00 0.00 0.00 173.10 173.07 1hcg s ILE 227 N 0.45 4.14 0.12 0.90 -5.25 0.19 -0.62 121.20 121.12 1hcg s ILE 227 Ca 0.07 -0.25 0.05 0.00 -0.99 0.00 0.00 60.65 59.53 1hcg s ILE 227 Cb -0.12 -2.87 -0.04 0.00 2.95 0.00 0.00 42.46 42.39 1hcg s ILE 227 CO -0.01 0.43 0.01 -0.31 -1.79 0.00 0.00 174.94 173.27 1hcg s TYR 228 N 0.86 2.97 -0.08 1.37 1.51 -1.26 0.44 117.35 123.16 1hcg s TYR 228 Ca 0.01 -0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 1hcg s TYR 228 Cb -0.14 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1hcg s TYR 228 CO 0.02 0.49 1.04 0.99 -1.11 0.00 0.00 175.55 176.99 1hcg s THR 229 N -1.45 4.68 -0.60 -0.71 2.01 -0.61 -1.27 115.64 117.69 1hcg s THR 229 Ca 0.27 1.95 -0.24 0.00 0.31 0.00 0.00 61.69 63.98 1hcg s THR 229 Cb -0.11 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.20 1hcg s THR 229 CO 0.19 0.03 0.97 -0.75 -0.69 0.00 0.00 174.62 174.36 1hcg s LYS 230 N 1.88 3.24 0.18 4.92 2.20 0.80 -2.98 119.74 129.97 1hcg s LYS 230 Ca 0.50 -0.48 -0.14 0.00 -0.36 0.00 0.00 55.97 55.50 1hcg s LYS 230 Cb -0.20 -4.13 0.09 0.00 -1.51 0.00 0.00 37.83 32.08 1hcg s LYS 230 CO 0.20 -1.65 1.83 0.28 -0.36 0.00 0.00 175.35 175.65 1hcg h VAL 231 N 6.00 1.09 -0.97 4.02 2.07 -1.84 -2.61 116.25 124.02 1hcg h VAL 231 Ca -0.27 -0.23 0.31 0.00 0.82 0.00 0.00 66.70 67.33 1hcg h VAL 231 Cb 1.07 0.37 -0.17 0.00 -1.52 0.00 0.00 31.29 31.04 1hcg h VAL 231 CO 1.13 0.12 0.24 0.74 0.02 0.00 0.00 177.57 179.83 1hcg h THR 232 N 0.66 0.09 0.00 2.57 2.02 -1.90 1.69 112.91 118.05 1hcg h THR 232 Ca 0.20 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1hcg h THR 232 Cb -0.03 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1hcg h THR 232 CO -0.07 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.83 1hcg h ALA 233 N 1.94 1.00 -0.01 6.16 0.00 -1.83 -3.03 119.26 123.50 1hcg h ALA 233 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1hcg h ALA 233 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1hcg h ALA 233 CO -0.81 0.00 0.00 1.19 0.00 0.00 0.00 179.25 179.63 1hcg n PHE 234 N -2.99 0.01 -0.08 0.00 3.72 0.57 -4.86 117.46 113.84 1hcg n PHE 234 Ca -0.00 -0.61 -0.07 0.00 -0.05 0.00 0.00 57.45 56.72 1hcg n PHE 234 Cb 0.23 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1hcg n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1hcg h LEU 235 N 0.03 -0.03 -0.78 4.37 4.07 -1.27 0.54 115.31 122.25 1hcg h LEU 235 Ca 0.00 0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 1hcg h LEU 235 Cb 0.61 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 1hcg h LEU 235 CO 0.00 0.02 0.07 0.50 -1.08 0.00 0.00 178.44 177.94 1hcg h LYS 236 N 0.14 0.99 -0.02 1.13 3.64 -1.89 -2.13 116.57 118.44 1hcg h LYS 236 Ca 0.14 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 1hcg h LYS 236 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1hcg h LYS 236 CO -0.21 0.93 -0.44 2.35 -2.27 0.00 0.00 179.45 179.82 1hcg h TRP 237 N 0.92 0.05 -0.65 1.91 7.01 -1.68 -2.87 115.95 120.65 1hcg h TRP 237 Ca 0.18 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.10 1hcg h TRP 237 Cb 0.45 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 1hcg h TRP 237 CO 0.03 0.47 0.14 0.82 -2.79 0.00 0.00 178.44 177.11 1hcg h ILE 238 N 0.03 1.26 0.00 2.65 2.04 0.73 -2.90 117.51 121.33 1hcg h ILE 238 Ca -0.00 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1hcg h ILE 238 Cb 0.79 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1hcg h ILE 238 CO 0.06 0.37 0.00 -0.67 0.00 0.00 0.00 178.15 177.90 1hcg n ASP 239 N -4.28 0.00 0.13 1.72 -0.08 -1.03 -1.80 116.55 111.21 1hcg n ASP 239 Ca 0.04 0.99 0.19 0.00 -1.51 0.00 0.00 54.79 54.50 1hcg n ASP 239 Cb 0.26 -0.49 0.77 0.00 2.34 0.00 0.00 41.12 44.00 1hcg n ASP 239 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1hcg h ARG 240 N 0.00 0.00 -0.21 -0.67 3.08 -1.61 1.29 114.38 116.26 1hcg h ARG 240 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1hcg h ARG 240 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1hcg h ARG 240 CO 0.00 0.00 -0.61 0.77 -1.07 0.00 0.00 179.97 179.06 1hcg h SER 241 N 0.00 0.89 0.00 7.04 0.02 -1.31 5.51 113.55 125.70 1hcg h SER 241 Ca 0.16 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1hcg h SER 241 Cb 0.89 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1hcg h SER 241 CO -0.00 1.32 0.00 0.23 -1.14 0.00 0.00 176.83 177.24 1hcg n MET 242 N -4.04 0.78 0.00 3.45 2.81 0.44 -3.15 117.12 117.41 1hcg n MET 242 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1hcg n MET 242 Cb 0.66 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 1hcg n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1hcg n LYS 243 N -0.04 0.00 -2.94 0.03 5.02 -1.05 -5.06 118.16 114.12 1hcg n LYS 243 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1hcg n LYS 243 Cb 0.15 -0.07 -0.05 0.00 -0.02 0.00 0.00 35.03 35.03 1hcg n LYS 243 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1hcg s THR 244 N -1.67 4.65 -0.47 -0.18 -1.32 1.79 -5.02 115.64 113.42 1hcg s THR 244 Ca 0.00 0.62 -0.18 0.00 -1.21 0.00 0.00 61.69 60.91 1hcg s THR 244 Cb 0.00 -4.30 0.05 0.00 -1.51 0.00 0.00 72.50 66.73 1hcg s THR 244 CO 0.00 -0.65 0.54 0.00 -2.21 0.00 0.00 174.62 172.31 1hcg s ARG 245 N 3.30 3.11 0.00 7.08 1.70 -1.26 -4.66 118.95 128.22 1hcg s ARG 245 Ca 0.31 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1hcg s ARG 245 Cb -0.12 -4.05 0.00 0.00 -0.57 0.00 0.00 34.95 30.21 1hcg s ARG 245 CO 0.21 -1.07 0.00 0.41 -1.08 0.00 0.00 175.30 173.78 1hcg n GLY 246 N 5.14 5.21 0.00 3.88 0.00 -1.26 -5.14 105.19 113.02 1hcg n GLY 246 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1hcg n GLY 246 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hcg n LEU 247 N 0.00 0.00 -4.76 0.99 4.32 -1.26 -4.24 117.00 112.05 1hcg n LEU 247 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 1hcg n LEU 247 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1hcg n LEU 247 CO 0.00 0.00 1.17 -2.65 -1.22 0.00 0.00 177.39 174.69 1hcg n PRO 248 N 0.00 2.66 -4.39 3.23 -0.02 -1.24 -2.19 135.00 133.04 1hcg n PRO 248 Ca 0.00 0.94 -0.19 0.00 -2.02 0.00 0.00 63.50 62.22 1hcg n PRO 248 Cb 0.00 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 30.69 1hcg n PRO 248 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1hcg s LYS 249 N -1.48 1.52 0.27 -0.52 -2.85 -0.25 -4.79 119.74 111.64 1hcg s LYS 249 Ca 0.57 -1.82 0.03 0.00 -1.00 0.00 0.00 55.97 53.76 1hcg s LYS 249 Cb -0.49 -0.70 -0.06 0.00 -2.06 0.00 0.00 37.83 34.53 1hcg s LYS 249 CO 0.58 -0.17 0.05 0.00 0.10 0.00 0.00 175.35 175.90 1hcg s ALA 250 N -3.40 1.97 0.00 0.59 0.00 -1.26 0.89 121.76 120.55 1hcg s ALA 250 Ca 0.34 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1hcg s ALA 250 Cb 0.07 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1hcg s ALA 250 CO 0.13 -0.33 0.00 1.17 0.00 0.00 0.00 175.76 176.73