#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hja s LYS 2 N 0.00 3.80 -0.08 2.12 1.02 -1.26 -3.04 119.74 122.31 3hja s LYS 2 Ca 0.00 -0.41 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 3hja s LYS 2 Cb 0.00 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 3hja s LYS 2 CO 0.00 -0.20 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.01 3hja s LEU 3 N 1.70 3.27 0.07 3.17 2.96 0.09 -0.51 118.68 129.42 3hja s LEU 3 Ca 0.07 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.07 3hja s LEU 3 Cb -0.16 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3hja s LEU 3 CO 0.08 0.36 -0.23 0.00 -1.32 0.00 0.00 176.35 175.23 3hja s ALA 4 N -0.77 1.98 -0.18 5.97 0.00 -0.50 -0.80 121.76 127.47 3hja s ALA 4 Ca 0.12 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3hja s ALA 4 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3hja s ALA 4 CO 0.02 0.44 -0.15 0.42 0.00 0.00 0.00 175.76 176.49 3hja s ILE 5 N -0.92 2.58 -0.41 0.00 1.01 -0.60 -0.40 121.20 122.47 3hja s ILE 5 Ca 0.09 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 3hja s ILE 5 Cb -0.10 -2.11 0.06 0.00 0.01 0.00 0.00 42.46 40.33 3hja s ILE 5 CO 0.03 0.51 0.25 0.21 0.00 0.00 0.00 174.94 175.93 3hja s ASN 6 N 1.11 5.68 0.00 3.58 2.47 0.11 -0.86 114.94 127.03 3hja s ASN 6 Ca 0.00 -1.34 0.00 0.00 0.42 0.00 0.00 52.86 51.94 3hja s ASN 6 Cb -0.14 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 3hja s ASN 6 CO -0.05 -0.50 0.00 0.61 -3.72 0.00 0.00 177.10 173.44 3hja n GLY 7 N 4.95 -0.09 2.58 1.21 0.00 0.30 -0.52 105.19 113.63 3hja n GLY 7 Ca -0.11 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 3hja n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hja n PHE 8 N 0.40 2.44 -0.48 1.61 7.35 -1.25 -3.88 117.46 123.65 3hja n PHE 8 Ca 0.00 -2.47 0.00 0.00 -0.76 0.00 0.00 57.45 54.22 3hja n PHE 8 Cb 0.00 -1.48 0.00 0.00 0.35 0.00 0.00 39.48 38.35 3hja n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hja n GLY 9 N 0.75 1.80 0.11 7.13 0.00 -1.26 -4.44 105.19 109.28 3hja n GLY 9 Ca 0.54 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 3hja n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hja h ARG 10 N 0.00 0.29 -0.03 1.61 2.47 -1.92 0.94 114.38 117.74 3hja h ARG 10 Ca 0.00 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3hja h ARG 10 Cb 0.00 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3hja h ARG 10 CO 0.00 0.22 -0.10 0.82 0.56 0.00 0.00 179.97 181.46 3hja h ILE 11 N 0.28 1.48 -0.83 2.04 1.08 -1.91 -2.87 117.51 116.79 3hja h ILE 11 Ca 0.08 -1.57 0.14 0.00 -0.39 0.00 0.00 64.86 63.11 3hja h ILE 11 Cb -0.00 2.46 -0.09 0.00 -3.07 0.00 0.00 36.82 36.11 3hja h ILE 11 CO -0.02 0.42 0.42 1.23 -0.69 0.00 0.00 178.15 179.52 3hja h GLY 12 N -0.47 1.32 1.28 5.37 0.00 -1.66 0.26 103.07 109.17 3hja h GLY 12 Ca -0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 47.33 46.83 3hja h GLY 12 CO 0.02 -0.02 -0.99 3.21 0.00 0.00 0.00 176.54 178.77 3hja h ARG 13 N 0.62 0.66 -0.42 4.80 3.08 -0.91 0.35 114.38 122.56 3hja h ARG 13 Ca 0.44 -0.68 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 3hja h ARG 13 Cb 0.60 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3hja h ARG 13 CO -0.35 1.27 0.14 -0.91 -1.07 0.00 0.00 179.97 179.06 3hja h ASN 14 N 0.38 0.61 -0.29 7.04 2.35 -1.23 -1.84 115.58 122.60 3hja h ASN 14 Ca -0.11 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 3hja h ASN 14 Cb 1.63 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.79 3hja h ASN 14 CO 0.19 0.65 0.00 0.58 -1.65 0.00 0.00 177.43 177.20 3hja h VAL 15 N 0.54 0.79 -0.45 2.81 2.07 -0.48 -1.92 116.25 119.62 3hja h VAL 15 Ca 0.14 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.72 3hja h VAL 15 Cb 0.25 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.62 3hja h VAL 15 CO -0.01 0.02 -0.23 0.15 0.02 0.00 0.00 177.57 177.52 3hja h PHE 16 N 0.09 -0.60 -0.55 1.57 3.57 -0.71 -0.49 116.94 119.82 3hja h PHE 16 Ca 0.14 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 3hja h PHE 16 Cb 0.18 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3hja h PHE 16 CO -0.22 -0.31 0.03 0.87 -2.23 0.00 0.00 178.31 176.45 3hja h LYS 17 N -0.14 0.95 0.20 1.11 1.57 -0.92 0.13 116.57 119.48 3hja h LYS 17 Ca 0.21 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3hja h LYS 17 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hja h LYS 17 CO -0.54 0.94 -0.10 0.82 -0.57 0.00 0.00 179.45 180.01 3hja h ILE 18 N 0.83 0.88 -0.54 1.86 2.04 -1.19 -2.58 117.51 118.83 3hja h ILE 18 Ca 0.16 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.58 3hja h ILE 18 Cb 0.50 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 3hja h ILE 18 CO 0.02 0.11 0.22 0.00 0.00 0.00 0.00 178.15 178.51 3hja h ALA 19 N 0.21 0.68 -0.45 1.87 0.00 -0.99 -2.84 119.26 117.74 3hja h ALA 19 Ca -0.03 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3hja h ALA 19 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3hja h ALA 19 CO 0.05 -0.16 0.06 0.35 0.00 0.00 0.00 179.25 179.55 3hja h PHE 20 N 0.43 0.09 -0.05 0.00 3.57 -0.72 -1.21 116.94 119.05 3hja h PHE 20 Ca 0.25 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.80 3hja h PHE 20 Cb 0.25 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3hja h PHE 20 CO -0.14 -0.03 0.04 0.93 -2.23 0.00 0.00 178.31 176.88 3hja h GLU 21 N 0.19 0.00 -0.01 1.11 4.39 -1.23 -2.09 114.58 116.94 3hja h GLU 21 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3hja h GLU 21 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3hja h GLU 21 CO -0.32 0.00 -0.02 0.54 -1.16 0.00 0.00 179.01 178.06 3hja n ARG 22 N -4.47 1.31 -1.01 2.33 1.74 -0.48 -4.91 116.66 111.18 3hja n ARG 22 Ca -0.02 -0.53 -0.00 0.00 -0.77 0.00 0.00 57.85 56.53 3hja n ARG 22 Cb 0.14 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3hja n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hja n GLY 23 N 1.12 0.46 3.75 -0.13 0.00 -0.79 -5.02 105.19 104.60 3hja n GLY 23 Ca 0.20 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3hja n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hja s ILE 24 N -1.99 2.80 -0.67 -0.61 1.01 -1.06 -4.93 121.20 115.75 3hja s ILE 24 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 60.65 61.11 3hja s ILE 24 Cb 0.00 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 39.01 3hja s ILE 24 CO 0.00 0.14 1.56 -0.62 0.00 0.00 0.00 174.94 176.02 3hja s ASP 25 N -0.03 5.75 -0.54 3.58 2.15 -1.17 -4.65 116.67 121.76 3hja s ASP 25 Ca 0.54 -0.05 -0.23 0.00 0.43 0.00 0.00 52.55 53.24 3hja s ASP 25 Cb -0.40 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 39.72 3hja s ASP 25 CO 0.46 -2.08 0.87 -0.63 -0.17 0.00 0.00 175.17 173.62 3hja s ILE 26 N 7.30 4.50 -0.04 4.11 1.01 -1.26 -0.73 121.20 136.09 3hja s ILE 26 Ca 0.51 0.10 -0.14 0.00 0.00 0.00 0.00 60.65 61.12 3hja s ILE 26 Cb -0.10 -4.48 -0.32 0.00 0.01 0.00 0.00 42.46 37.57 3hja s ILE 26 CO 0.18 -1.04 0.76 0.58 0.00 0.00 0.00 174.94 175.42 3hja h VAL 27 N 5.98 1.11 -2.58 2.92 2.07 -1.31 -3.43 116.25 121.01 3hja h VAL 27 Ca -0.26 -2.54 -0.10 0.00 0.82 0.00 0.00 66.70 64.62 3hja h VAL 27 Cb 1.08 2.88 -0.21 0.00 -1.52 0.00 0.00 31.29 33.51 3hja h VAL 27 CO 1.06 0.80 -0.11 0.00 0.02 0.00 0.00 177.57 179.34 3hja s ALA 28 N -2.55 -1.21 -0.10 1.67 0.00 -1.24 -1.23 121.76 117.10 3hja s ALA 28 Ca -0.15 1.04 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3hja s ALA 28 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hja s ALA 28 CO 0.86 -0.27 -0.20 0.42 0.00 0.00 0.00 175.76 176.57 3hja s ILE 29 N -0.58 2.48 -0.11 0.00 1.01 0.78 -1.56 121.20 123.23 3hja s ILE 29 Ca -0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3hja s ILE 29 Cb -0.03 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3hja s ILE 29 CO 0.04 0.55 -0.05 0.21 0.00 0.00 0.00 174.94 175.69 3hja s ASN 30 N 0.24 4.77 0.00 3.58 2.47 -0.04 -0.60 114.94 125.36 3hja s ASN 30 Ca -0.13 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.09 3hja s ASN 30 Cb -0.16 -1.51 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 3hja s ASN 30 CO 0.07 0.27 0.00 -0.67 -3.72 0.00 0.00 177.10 173.05 3hja n ASP 31 N 2.85 0.00 -0.69 -4.21 2.03 -0.91 -0.54 116.55 115.09 3hja n ASP 31 Ca -0.18 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.17 3hja n ASP 31 Cb 0.53 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.13 3hja n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hja n LEU 32 N 0.00 3.21 0.00 -2.67 4.77 -1.26 -3.55 117.00 117.50 3hja n LEU 32 Ca 0.00 -3.56 -0.06 0.00 -0.03 0.00 0.00 56.01 52.35 3hja n LEU 32 Cb 0.00 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 3hja n LEU 32 CO 0.00 1.11 0.01 1.07 -1.33 0.00 0.00 177.39 178.24 3hja n THR 33 N -1.11 0.00 -3.32 -5.08 5.66 -1.26 -5.08 114.28 104.08 3hja n THR 33 Ca 0.23 -0.79 -0.19 0.00 -3.05 0.00 0.00 64.05 60.25 3hja n THR 33 Cb 0.81 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 3hja n THR 33 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3hja s ASP 34 N -1.83 5.89 0.47 1.09 1.47 -1.26 -4.77 116.67 117.73 3hja s ASP 34 Ca 0.13 -0.17 0.14 0.00 1.18 0.00 0.00 52.55 53.83 3hja s ASP 34 Cb 0.00 -1.16 1.07 0.00 -0.34 0.00 0.00 42.92 42.49 3hja s ASP 34 CO 0.09 -0.53 2.05 -0.65 0.68 0.00 0.00 175.17 176.81 3hja h PRO 35 N 0.78 0.05 -0.69 2.11 0.11 -1.88 -2.69 132.00 129.79 3hja h PRO 35 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3hja h PRO 35 Cb 1.26 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3hja h PRO 35 CO 0.52 0.14 0.33 0.87 -0.21 0.00 0.00 178.00 179.65 3hja h LYS 36 N 0.05 0.99 -0.36 1.05 1.57 -1.91 -0.39 116.57 117.58 3hja h LYS 36 Ca 0.01 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3hja h LYS 36 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3hja h LYS 36 CO 0.01 0.79 -0.22 1.15 -0.57 0.00 0.00 179.45 180.61 3hja h THR 37 N 0.96 1.28 -0.43 -0.16 2.02 -1.89 -0.26 112.91 114.44 3hja h THR 37 Ca 0.24 -1.37 -0.12 0.00 0.77 0.00 0.00 66.41 65.93 3hja h THR 37 Cb 0.13 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3hja h THR 37 CO -0.03 0.45 -0.21 -0.07 0.37 0.00 0.00 175.52 176.03 3hja h LEU 38 N 0.59 0.93 -0.72 2.58 3.38 -1.37 -0.87 115.31 119.82 3hja h LEU 38 Ca 0.08 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3hja h LEU 38 Cb 0.78 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3hja h LEU 38 CO 0.06 1.13 0.33 0.00 0.09 0.00 0.00 178.44 180.05 3hja h ALA 39 N 0.83 0.93 -0.47 1.53 0.00 -1.00 -1.03 119.26 120.05 3hja h ALA 39 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hja h ALA 39 Cb 0.78 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hja h ALA 39 CO 0.06 0.51 0.12 1.25 0.00 0.00 0.00 179.25 181.19 3hja h HIS 40 N 1.02 0.79 -0.35 0.00 -0.00 -0.75 -0.17 115.15 115.69 3hja h HIS 40 Ca 0.25 -0.09 -0.07 0.00 -0.00 0.00 0.00 60.37 60.45 3hja h HIS 40 Cb 0.14 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 3hja h HIS 40 CO 0.01 0.72 -0.09 -0.07 -0.00 0.00 0.00 177.93 178.50 3hja h LEU 41 N 0.64 0.58 -0.39 0.26 3.38 -1.02 -1.72 115.31 117.04 3hja h LEU 41 Ca 0.15 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3hja h LEU 41 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hja h LEU 41 CO 0.00 0.71 -0.04 0.25 0.09 0.00 0.00 178.44 179.45 3hja h LEU 42 N 0.56 0.71 -0.26 1.67 5.85 -0.93 -3.31 115.31 119.60 3hja h LEU 42 Ca 0.10 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.34 3hja h LEU 42 Cb 0.49 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3hja h LEU 42 CO 0.03 0.87 -0.44 0.50 -0.34 0.00 0.00 178.44 179.06 3hja h LYS 43 N 0.53 0.75 -4.75 1.25 1.63 -0.76 -3.41 116.57 111.81 3hja h LYS 43 Ca 0.11 -0.47 -0.68 0.00 -0.85 0.00 0.00 60.65 58.76 3hja h LYS 43 Cb 0.53 0.05 -0.36 0.00 -0.60 0.00 0.00 32.23 31.85 3hja h LYS 43 CO 0.03 1.09 -0.72 0.71 -3.45 0.00 0.00 179.45 177.11 3hja s TYR 44 N -4.14 3.40 -0.24 1.91 2.02 -0.67 -0.33 117.35 119.31 3hja s TYR 44 Ca -0.12 -2.31 -0.04 0.00 -0.37 0.00 0.00 57.07 54.23 3hja s TYR 44 Cb 0.09 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.29 3hja s TYR 44 CO 0.86 -0.88 -0.02 0.34 -1.57 0.00 0.00 175.55 174.28 3hja s ASP 45 N 1.21 4.49 0.45 2.29 -1.08 -0.89 -4.66 116.67 118.47 3hja s ASP 45 Ca -0.02 -0.45 0.13 0.00 -0.52 0.00 0.00 52.55 51.68 3hja s ASP 45 Cb -0.20 -1.77 1.02 0.00 -1.46 0.00 0.00 42.92 40.51 3hja s ASP 45 CO -0.04 -0.05 2.04 0.28 0.52 0.00 0.00 175.17 177.92 3hja h SER 46 N 8.13 0.13 0.08 -0.34 0.02 -1.93 0.39 113.55 120.04 3hja h SER 46 Ca -0.39 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.31 3hja h SER 46 Cb 1.15 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3hja h SER 46 CO 0.60 0.19 -1.24 0.74 -1.14 0.00 0.00 176.83 175.98 3hja h THR 47 N 0.15 1.08 -0.01 -2.27 2.02 -1.99 -3.41 112.91 108.49 3hja h THR 47 Ca 0.04 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.86 3hja h THR 47 Cb 0.16 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3hja h THR 47 CO 0.01 0.62 -0.45 0.49 0.37 0.00 0.00 175.52 176.56 3hja n PHE 48 N -4.08 0.00 0.00 3.16 3.72 -1.20 -5.06 117.46 114.00 3hja n PHE 48 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 3hja n PHE 48 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 3hja n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hja n GLY 49 N 1.18 -2.15 3.70 1.37 0.00 0.12 -4.96 105.19 104.45 3hja n GLY 49 Ca 0.04 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3hja n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hja s VAL 50 N -0.38 4.59 0.01 1.61 1.01 -1.26 -2.10 120.40 123.88 3hja s VAL 50 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 3hja s VAL 50 Cb 0.00 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 3hja s VAL 50 CO 0.00 0.07 1.53 -0.47 0.00 0.00 0.00 175.10 176.23 3hja s TYR 51 N 1.62 2.54 -0.16 5.22 5.04 0.55 -4.89 117.35 127.27 3hja s TYR 51 Ca 0.52 0.53 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 3hja s TYR 51 Cb -0.22 -3.81 0.09 0.00 0.35 0.00 0.00 41.96 38.37 3hja s TYR 51 CO 0.23 -3.18 2.09 -1.71 -1.34 0.00 0.00 175.55 171.64 3hja n ASN 52 N 5.82 5.90 -4.19 4.32 5.15 -1.26 -4.79 115.26 126.21 3hja n ASN 52 Ca 0.15 -2.74 -0.15 0.00 -0.60 0.00 0.00 54.58 51.24 3hja n ASN 52 Cb 0.42 -1.11 -0.11 0.00 -0.53 0.00 0.00 39.78 38.46 3hja n ASN 52 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3hja s LYS 53 N -0.85 0.87 -0.17 1.20 1.02 -1.26 -5.11 119.74 115.44 3hja s LYS 53 Ca 0.18 -1.16 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 3hja s LYS 53 Cb 0.13 -0.61 -0.02 0.00 -0.52 0.00 0.00 37.83 36.82 3hja s LYS 53 CO -0.01 0.10 1.37 0.21 -0.92 0.00 0.00 175.35 176.11 3hja s LYS 54 N -2.72 4.14 -0.17 1.68 2.20 -1.26 -4.88 119.74 118.72 3hja s LYS 54 Ca 0.06 1.70 -0.00 0.00 -0.36 0.00 0.00 55.97 57.36 3hja s LYS 54 Cb -0.04 -3.85 -0.00 0.00 -1.51 0.00 0.00 37.83 32.44 3hja s LYS 54 CO 0.01 -0.85 -0.14 0.08 -0.36 0.00 0.00 175.35 174.09 3hja s VAL 55 N 3.88 2.73 0.09 4.02 1.01 -1.26 -0.84 120.40 130.03 3hja s VAL 55 Ca 0.60 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3hja s VAL 55 Cb -0.23 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3hja s VAL 55 CO 0.20 0.50 -0.20 -0.70 0.00 0.00 0.00 175.10 174.90 3hja s GLU 56 N 0.98 1.17 0.11 2.72 2.12 -0.19 -4.98 118.70 120.61 3hja s GLU 56 Ca -0.02 -1.09 0.08 0.00 0.36 0.00 0.00 54.97 54.30 3hja s GLU 56 Cb -0.15 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 3hja s GLU 56 CO -0.02 0.33 -0.16 -1.54 -0.54 0.00 0.00 175.26 173.32 3hja s SER 57 N -1.71 3.99 0.18 -1.70 1.04 -1.26 -0.24 113.70 114.00 3hja s SER 57 Ca 0.06 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3hja s SER 57 Cb -0.10 -0.62 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 3hja s SER 57 CO 0.04 0.19 0.20 -2.11 0.98 0.00 0.00 173.24 172.53 3hja n ARG 58 N 0.86 0.28 -1.76 4.02 1.85 -0.27 -4.97 116.66 116.67 3hja n ARG 58 Ca -0.15 -1.70 -0.42 0.00 -1.00 0.00 0.00 57.85 54.57 3hja n ARG 58 Cb 0.53 1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 33.39 3hja n ARG 58 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hja s ASP 59 N -2.23 6.46 -2.19 2.89 1.01 -1.26 -2.89 116.67 118.47 3hja s ASP 59 Ca 0.20 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.15 3hja s ASP 59 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3hja s ASP 59 CO 0.14 -0.98 0.00 0.61 0.21 0.00 0.00 175.17 175.15 3hja n GLY 60 N 4.19 1.97 3.50 0.21 0.00 -1.26 -4.93 105.19 108.86 3hja n GLY 60 Ca 0.17 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 3hja n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hja s ALA 61 N -2.76 -1.79 0.28 4.61 0.00 -1.14 -0.82 121.76 120.14 3hja s ALA 61 Ca 0.00 1.09 0.11 0.00 0.00 0.00 0.00 51.96 53.16 3hja s ALA 61 Cb 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3hja s ALA 61 CO 0.00 -0.55 -0.13 0.96 0.00 0.00 0.00 175.76 176.04 3hja s ILE 62 N -2.40 2.79 -0.08 0.00 -4.36 -0.32 -1.11 121.20 115.72 3hja s ILE 62 Ca -0.01 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 58.16 3hja s ILE 62 Cb -0.01 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.23 3hja s ILE 62 CO -0.03 -0.38 -0.12 -0.69 0.24 0.00 0.00 174.94 173.95 3hja s VAL 63 N -2.45 1.19 -0.18 8.37 1.01 0.66 -0.62 120.40 128.39 3hja s VAL 63 Ca 0.31 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3hja s VAL 63 Cb -0.05 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.26 3hja s VAL 63 CO 0.17 0.37 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 3hja s VAL 64 N 0.87 1.68 -1.48 2.92 1.01 0.41 -1.03 120.40 124.78 3hja s VAL 64 Ca -0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3hja s VAL 64 Cb -0.15 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3hja s VAL 64 CO 0.01 0.34 0.13 0.47 0.00 0.00 0.00 175.10 176.05 3hja n ASP 65 N 4.71 -0.02 0.00 3.32 8.00 -0.02 -0.45 116.55 132.08 3hja n ASP 65 Ca -0.16 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.05 3hja n ASP 65 Cb 0.48 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 3hja n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hja n GLY 66 N -2.50 2.95 3.66 0.44 0.00 -1.26 -5.01 105.19 103.47 3hja n GLY 66 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3hja n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hja s ARG 67 N 0.00 4.23 -0.02 1.61 0.52 0.40 -5.05 118.95 120.64 3hja s ARG 67 Ca 0.00 0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 55.82 3hja s ARG 67 Cb 0.00 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.82 3hja s ARG 67 CO 0.00 -0.36 0.69 -2.00 0.02 0.00 0.00 175.30 173.65 3hja s GLU 68 N 2.30 4.43 -0.10 3.54 2.12 -1.26 -0.45 118.70 129.27 3hja s GLU 68 Ca 0.34 0.90 0.02 0.00 0.36 0.00 0.00 54.97 56.58 3hja s GLU 68 Cb -0.16 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.85 3hja s GLU 68 CO 0.10 0.20 -0.14 0.42 -0.54 0.00 0.00 175.26 175.30 3hja s ILE 69 N 0.31 1.40 0.26 -3.70 1.09 0.21 -4.89 121.20 115.88 3hja s ILE 69 Ca 0.36 -0.58 -0.30 0.00 -1.10 0.00 0.00 60.65 59.03 3hja s ILE 69 Cb -0.19 -1.29 -0.10 0.00 -1.06 0.00 0.00 42.46 39.83 3hja s ILE 69 CO 0.19 0.42 1.40 -0.75 -0.10 0.00 0.00 174.94 176.10 3hja s LYS 70 N 1.02 4.29 -0.21 2.79 2.20 -0.36 -1.18 119.74 128.29 3hja s LYS 70 Ca -0.07 2.27 -0.06 0.00 -0.36 0.00 0.00 55.97 57.76 3hja s LYS 70 Cb -0.15 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 3hja s LYS 70 CO -0.02 -0.36 0.02 0.42 -0.36 0.00 0.00 175.35 175.05 3hja s ILE 71 N -0.25 4.06 0.18 5.43 -1.09 -0.00 -0.16 121.20 129.37 3hja s ILE 71 Ca 0.57 -0.27 0.09 0.00 -2.23 0.00 0.00 60.65 58.80 3hja s ILE 71 Cb -0.41 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 3hja s ILE 71 CO 0.45 0.42 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.85 3hja s ILE 72 N 1.06 3.18 -0.46 2.92 1.01 0.23 -4.60 121.20 124.54 3hja s ILE 72 Ca 0.03 -1.65 0.06 0.00 0.00 0.00 0.00 60.65 59.09 3hja s ILE 72 Cb -0.14 -2.57 0.22 0.00 0.01 0.00 0.00 42.46 39.98 3hja s ILE 72 CO 0.02 -0.10 0.49 0.00 0.00 0.00 0.00 174.94 175.35 3hja n ALA 73 N 0.08 2.88 -4.04 9.38 0.00 -1.26 -2.14 120.51 125.42 3hja n ALA 73 Ca -0.11 -3.60 -0.31 0.00 0.00 0.00 0.00 53.44 49.41 3hja n ALA 73 Cb 0.55 -0.82 -0.16 0.00 0.00 0.00 0.00 19.45 19.02 3hja n ALA 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hja s GLU 74 N -1.01 2.20 0.26 0.00 2.56 -1.23 -4.96 118.70 116.52 3hja s GLU 74 Ca 0.34 -1.06 -0.02 0.00 0.00 0.00 0.00 54.97 54.24 3hja s GLU 74 Cb 0.11 -2.64 0.33 0.00 2.00 0.00 0.00 34.13 33.92 3hja s GLU 74 CO -0.13 -0.47 1.75 -0.09 -0.56 0.00 0.00 175.26 175.76 3hja h ARG 75 N 7.89 0.79 -4.75 4.30 2.43 -1.98 -3.41 114.38 119.64 3hja h ARG 75 Ca -0.26 -0.22 -0.67 0.00 -0.81 0.00 0.00 59.98 58.02 3hja h ARG 75 Cb 1.08 -0.09 -0.20 0.00 -0.42 0.00 0.00 29.97 30.34 3hja h ARG 75 CO 0.49 0.80 -0.50 0.34 -1.51 0.00 0.00 179.97 179.58 3hja s ASP 76 N -6.65 5.92 0.52 -3.80 -1.08 -1.26 -4.99 116.67 105.33 3hja s ASP 76 Ca -0.09 -0.42 0.35 0.00 -0.52 0.00 0.00 52.55 51.87 3hja s ASP 76 Cb 0.15 -2.10 1.74 0.00 -1.46 0.00 0.00 42.92 41.24 3hja s ASP 76 CO 0.81 -0.21 2.05 1.55 0.52 0.00 0.00 175.17 179.89 3hja h PRO 77 N 8.44 0.00 0.00 4.34 0.13 -1.89 -2.28 132.00 140.74 3hja h PRO 77 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3hja h PRO 77 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hja h PRO 77 CO 0.62 0.00 -0.01 1.57 -0.23 0.00 0.00 178.00 179.96 3hja h LYS 78 N 0.00 0.00 -0.13 0.86 2.10 -1.91 -2.42 116.57 115.06 3hja h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hja h LYS 78 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3hja h LYS 78 CO 0.00 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 3hja n ASN 79 N -3.12 1.86 -4.77 7.07 5.03 -0.86 -4.09 115.26 116.38 3hja n ASN 79 Ca -0.02 -1.69 -0.38 0.00 0.87 0.00 0.00 54.58 53.36 3hja n ASN 79 Cb 0.15 -0.08 -0.05 0.00 -1.02 0.00 0.00 39.78 38.78 3hja n ASN 79 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hja s LEU 80 N -1.72 4.41 -0.27 3.41 1.43 -0.91 -4.93 118.68 120.09 3hja s LEU 80 Ca 0.34 2.04 -0.03 0.00 -1.03 0.00 0.00 54.13 55.45 3hja s LEU 80 Cb 0.19 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.59 3hja s LEU 80 CO 0.29 -0.16 2.56 -0.81 0.23 0.00 0.00 176.35 178.46 3hja n PRO 81 N 0.75 1.93 -0.12 1.29 -0.04 -1.26 -4.55 135.00 133.00 3hja n PRO 81 Ca 0.01 -1.52 -0.07 0.00 -0.04 0.00 0.00 63.50 61.88 3hja n PRO 81 Cb 0.48 -1.78 0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3hja n PRO 81 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hja h TRP 82 N 2.20 0.93 0.03 0.54 -0.00 -1.84 -2.03 115.95 115.78 3hja h TRP 82 Ca 0.27 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.89 58.98 3hja h TRP 82 Cb 0.97 -0.24 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 3hja h TRP 82 CO 1.13 0.90 -0.01 0.00 -0.00 0.00 0.00 178.44 180.46 3hja h ALA 83 N 1.11 -0.03 -0.82 1.49 0.00 -1.23 -0.85 119.26 118.93 3hja h ALA 83 Ca 0.13 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hja h ALA 83 Cb 0.61 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3hja h ALA 83 CO 0.04 -0.46 0.54 -0.22 0.00 0.00 0.00 179.25 179.14 3hja h LYS 84 N -0.15 0.90 -0.01 0.00 3.64 -1.82 -1.09 116.57 118.05 3hja h LYS 84 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hja h LYS 84 Cb 0.14 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hja h LYS 84 CO 0.01 0.59 -0.13 1.28 -2.27 0.00 0.00 179.45 178.93 3hja n LEU 85 N -4.48 0.95 -1.00 5.20 4.77 -0.78 -4.94 117.00 116.73 3hja n LEU 85 Ca 0.12 -0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 55.77 3hja n LEU 85 Cb 0.19 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hja n LEU 85 CO 0.34 0.17 -0.11 0.61 -1.33 0.00 0.00 177.39 177.06 3hja n GLY 86 N 1.26 0.01 3.68 -0.72 0.00 -0.41 -4.95 105.19 104.06 3hja n GLY 86 Ca 0.15 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3hja n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hja s ILE 87 N -2.44 3.31 -0.13 -0.61 -1.09 -0.41 -4.69 121.20 115.15 3hja s ILE 87 Ca 0.00 0.64 -0.26 0.00 -2.23 0.00 0.00 60.65 58.80 3hja s ILE 87 Cb -0.00 -3.41 -0.27 0.00 -1.58 0.00 0.00 42.46 37.20 3hja s ILE 87 CO 0.00 -0.02 0.74 0.44 -1.23 0.00 0.00 174.94 174.87 3hja h ASP 88 N 8.63 0.11 -3.33 3.58 3.32 -1.15 -2.38 116.42 125.20 3hja h ASP 88 Ca -0.41 -0.94 -0.46 0.00 0.02 0.00 0.00 57.03 55.23 3hja h ASP 88 Cb 1.19 -0.04 -0.36 0.00 0.22 0.00 0.00 39.33 40.35 3hja h ASP 88 CO 0.93 1.15 -0.79 -0.69 -1.72 0.00 0.00 179.24 178.12 3hja s VAL 89 N -2.28 0.73 -0.15 -1.35 1.01 -0.84 -1.14 120.40 116.38 3hja s VAL 89 Ca -0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3hja s VAL 89 Cb -0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 3hja s VAL 89 CO 0.71 0.29 0.19 -0.69 0.00 0.00 0.00 175.10 175.61 3hja s VAL 90 N 1.32 5.39 -0.37 2.92 1.01 0.65 -1.41 120.40 129.91 3hja s VAL 90 Ca -0.04 0.33 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 3hja s VAL 90 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3hja s VAL 90 CO -0.03 0.50 0.48 -0.63 0.00 0.00 0.00 175.10 175.42 3hja s ILE 91 N -0.20 5.04 -0.83 2.22 -1.09 0.47 -0.26 121.20 126.55 3hja s ILE 91 Ca 0.13 0.10 -0.16 0.00 -2.23 0.00 0.00 60.65 58.49 3hja s ILE 91 Cb -0.12 -3.98 0.17 0.00 -1.58 0.00 0.00 42.46 36.95 3hja s ILE 91 CO 0.03 -0.28 0.88 -0.70 -1.23 0.00 0.00 174.94 173.64 3hja s GLU 92 N 2.31 3.52 -0.19 2.79 2.56 0.11 0.06 118.70 129.85 3hja s GLU 92 Ca 0.16 -2.06 0.13 0.00 0.00 0.00 0.00 54.97 53.21 3hja s GLU 92 Cb -0.16 -4.58 0.43 0.00 2.00 0.00 0.00 34.13 31.83 3hja s GLU 92 CO 0.14 -1.49 1.20 -1.13 -0.56 0.00 0.00 175.26 173.41 3hja n SER 93 N 5.21 2.15 0.12 -1.70 3.41 0.32 -2.12 113.62 121.01 3hja n SER 93 Ca 0.14 -3.48 0.02 0.00 -0.26 0.00 0.00 58.87 55.29 3hja n SER 93 Cb 0.47 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3hja n SER 93 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hja h THR 94 N 2.42 0.80 0.00 6.66 1.35 -1.72 -3.42 112.91 119.00 3hja h THR 94 Ca 0.02 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 3hja h THR 94 Cb 1.26 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 3hja h THR 94 CO 0.16 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 3hja n GLY 95 N 1.25 1.51 0.42 5.82 0.00 -1.26 -4.88 105.19 108.05 3hja n GLY 95 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3hja n GLY 95 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hja n VAL 96 N -2.00 0.34 -2.55 1.61 0.24 -1.26 -4.67 118.33 110.04 3hja n VAL 96 Ca 0.00 -0.67 -0.23 0.00 -2.04 0.00 0.00 64.34 61.40 3hja n VAL 96 Cb 0.00 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 3hja n VAL 96 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3hja n PHE 97 N 0.45 2.92 1.72 6.34 3.72 -1.26 -4.85 117.46 126.50 3hja n PHE 97 Ca 0.07 -3.10 0.14 0.00 -0.05 0.00 0.00 57.45 54.51 3hja n PHE 97 Cb 0.28 -0.17 0.69 0.00 -0.94 0.00 0.00 39.48 39.35 3hja n PHE 97 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hja n SER 98 N -0.37 0.82 -4.83 4.37 3.41 -1.26 -3.04 113.62 112.71 3hja n SER 98 Ca 0.32 -1.30 -0.27 0.00 -0.26 0.00 0.00 58.87 57.36 3hja n SER 98 Cb 0.68 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.58 3hja n SER 98 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hja s SER 99 N -1.96 5.72 0.22 4.04 0.01 -1.26 -0.15 113.70 120.33 3hja s SER 99 Ca 0.41 -0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.56 3hja s SER 99 Cb 0.21 -1.56 0.19 0.00 0.21 0.00 0.00 66.02 65.06 3hja s SER 99 CO 0.34 0.08 1.84 0.00 0.41 0.00 0.00 173.24 175.91 3hja h ALA 100 N 2.50 1.09 -2.77 1.44 0.00 -1.92 -1.65 119.26 117.96 3hja h ALA 100 Ca -0.48 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3hja h ALA 100 Cb 1.19 -0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 3hja h ALA 100 CO 0.65 0.62 -0.19 -0.08 0.00 0.00 0.00 179.25 180.25 3hja s THR 101 N -5.80 0.02 0.07 0.00 -1.32 -1.26 -1.98 115.64 105.36 3hja s THR 101 Ca -0.13 -1.38 -0.26 0.00 -1.21 0.00 0.00 61.69 58.71 3hja s THR 101 Cb 0.16 -2.07 0.09 0.00 -1.51 0.00 0.00 72.50 69.17 3hja s THR 101 CO 0.82 -0.08 1.17 -0.94 -2.21 0.00 0.00 174.62 173.38 3hja s SER 102 N -3.00 -0.03 0.00 8.08 1.04 -1.20 -4.75 113.70 113.85 3hja s SER 102 Ca 0.21 -0.36 0.19 0.00 0.48 0.00 0.00 55.95 56.46 3hja s SER 102 Cb 0.01 0.30 1.07 0.00 0.10 0.00 0.00 66.02 67.49 3hja s SER 102 CO 0.06 -0.59 1.54 -0.90 0.98 0.00 0.00 173.24 174.33 3hja n ASP 103 N -0.94 0.00 -0.02 7.02 5.68 -1.26 -1.75 116.55 125.29 3hja n ASP 103 Ca -0.02 -0.38 0.03 0.00 -0.50 0.00 0.00 54.79 53.91 3hja n ASP 103 Cb 0.60 -0.10 0.04 0.00 -1.14 0.00 0.00 41.12 40.52 3hja n ASP 103 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hja n LYS 104 N -1.10 2.45 0.00 0.11 5.02 -1.26 -5.13 118.16 118.26 3hja n LYS 104 Ca 0.12 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 3hja n LYS 104 Cb 0.09 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3hja n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hja n GLY 105 N -0.78 0.61 3.82 0.72 0.00 -0.71 -4.85 105.19 104.00 3hja n GLY 105 Ca 0.05 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 3hja n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hja s GLY 106 N -0.90 -0.02 0.49 -0.02 0.00 -1.26 -3.20 107.32 102.41 3hja s GLY 106 Ca 0.00 -0.15 0.15 0.00 0.00 0.00 0.00 44.72 44.72 3hja s GLY 106 CO 0.00 1.31 2.10 0.10 0.00 0.00 0.00 173.10 176.61 3hja h TYR 107 N 2.00 0.06 0.00 1.90 -0.00 -1.16 -1.76 116.97 118.01 3hja h TYR 107 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 3hja h TYR 107 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.93 3hja h TYR 107 CO 0.96 0.08 0.00 1.28 -0.00 0.00 0.00 178.16 180.47 3hja n LEU 108 N -4.48 0.70 -0.12 0.10 4.77 -0.84 -2.63 117.00 114.50 3hja n LEU 108 Ca -0.02 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 3hja n LEU 108 Cb 0.12 -0.54 0.49 0.00 -2.33 0.00 0.00 43.42 41.16 3hja n LEU 108 CO 0.35 -0.51 1.20 0.44 -1.33 0.00 0.00 177.39 177.54 3hja h ASP 109 N 0.00 0.41 -0.75 -1.43 3.32 -1.47 0.17 116.42 116.66 3hja h ASP 109 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3hja h ASP 109 Cb 0.42 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3hja h ASP 109 CO 0.00 0.23 0.45 0.45 -1.72 0.00 0.00 179.24 178.65 3hja h HIS 110 N 0.45 1.00 0.00 4.55 3.86 -1.70 -0.39 115.15 122.92 3hja h HIS 110 Ca 0.32 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.43 3hja h HIS 110 Cb 0.63 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3hja h HIS 110 CO -0.00 0.67 -2.05 1.33 0.86 0.00 0.00 177.93 178.74 3hja n VAL 111 N -4.38 0.34 0.00 2.45 0.24 -0.62 -1.11 118.33 115.26 3hja n VAL 111 Ca 0.08 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3hja n VAL 111 Cb 0.07 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 3hja n VAL 111 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3hja n ASN 112 N -2.35 0.00 0.08 -1.34 3.02 0.49 -4.28 115.26 110.87 3hja n ASN 112 Ca -0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.36 3hja n ASN 112 Cb 0.70 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.88 3hja n ASN 112 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3hja h HIS 113 N 0.00 0.32 -0.02 3.10 2.76 -1.76 -3.14 115.15 116.41 3hja h HIS 113 Ca 0.00 -0.17 -0.12 0.00 -2.20 0.00 0.00 60.37 57.88 3hja h HIS 113 Cb 0.00 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3hja h HIS 113 CO 0.00 0.96 -0.53 0.00 -1.30 0.00 0.00 177.93 177.05 3hja h ALA 114 N 0.99 1.08 0.00 5.26 0.00 -1.20 -3.48 119.26 121.90 3hja h ALA 114 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hja h ALA 114 Cb 1.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hja h ALA 114 CO 0.13 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.46 3hja n GLY 115 N 0.03 0.67 3.77 0.00 0.00 -0.90 -1.22 105.19 107.53 3hja n GLY 115 Ca -0.02 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 3hja n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hja s ALA 116 N -2.00 2.42 0.14 4.61 0.00 -0.26 -3.63 121.76 123.03 3hja s ALA 116 Ca 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 3hja s ALA 116 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3hja s ALA 116 CO 0.00 -1.36 1.40 0.87 0.00 0.00 0.00 175.76 176.67 3hja h LYS 117 N -0.06 0.74 -3.35 0.00 1.79 -1.44 -3.39 116.57 110.86 3hja h LYS 117 Ca -0.47 -0.52 -0.13 0.00 -2.18 0.00 0.00 60.65 57.35 3hja h LYS 117 Cb 1.25 0.08 -0.20 0.00 -1.58 0.00 0.00 32.23 31.78 3hja h LYS 117 CO 0.53 1.14 -0.41 0.15 -1.08 0.00 0.00 179.45 179.79 3hja s LYS 118 N -3.93 0.57 -0.03 3.15 1.02 -0.29 -4.72 119.74 115.50 3hja s LYS 118 Ca -0.09 -0.35 0.03 0.00 0.02 0.00 0.00 55.97 55.58 3hja s LYS 118 Cb 0.10 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 3hja s LYS 118 CO 0.88 -0.15 -0.11 0.54 -0.92 0.00 0.00 175.35 175.60 3hja s VAL 119 N -1.47 0.90 -0.23 3.17 0.11 -0.32 -0.25 120.40 122.32 3hja s VAL 119 Ca -0.14 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 3hja s VAL 119 Cb -0.06 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3hja s VAL 119 CO 0.02 0.27 0.04 -0.63 -3.33 0.00 0.00 175.10 171.47 3hja s ILE 120 N 0.13 4.11 -0.29 7.04 1.01 0.64 -1.90 121.20 131.93 3hja s ILE 120 Ca -0.03 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 3hja s ILE 120 Cb -0.09 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 3hja s ILE 120 CO 0.01 0.37 0.71 -0.22 0.00 0.00 0.00 174.94 175.81 3hja s LEU 121 N 1.42 4.10 -0.14 2.97 2.96 0.95 0.07 118.68 131.01 3hja s LEU 121 Ca 0.05 0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 54.58 3hja s LEU 121 Cb -0.15 -2.96 0.10 0.00 0.50 0.00 0.00 46.19 43.68 3hja s LEU 121 CO 0.02 -0.52 1.91 0.35 -1.32 0.00 0.00 176.35 176.79 3hja n THR 122 N 5.41 2.24 -3.48 3.68 -2.24 -0.90 -2.25 114.28 116.73 3hja n THR 122 Ca 0.02 -0.94 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 3hja n THR 122 Cb 0.48 -1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 3hja n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hja s VAL 123 N -0.98 0.00 0.35 2.28 0.11 -1.24 -4.92 120.40 116.00 3hja s VAL 123 Ca 0.14 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 3hja s VAL 123 Cb 0.11 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.85 3hja s VAL 123 CO 0.00 0.00 1.51 -2.16 -3.33 0.00 0.00 175.10 171.12 3hja s PRO 124 N -2.81 4.12 0.47 1.54 0.04 -1.24 -4.45 135.00 132.66 3hja s PRO 124 Ca -0.00 2.56 -0.22 0.00 0.04 0.00 0.00 61.00 63.38 3hja s PRO 124 Cb -0.01 -2.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 3hja s PRO 124 CO -0.06 -0.55 1.17 0.00 0.04 0.00 0.00 177.00 177.60 3hja s ALA 125 N -0.85 2.93 0.13 8.56 0.00 -1.26 -4.93 121.76 126.33 3hja s ALA 125 Ca 0.55 0.94 0.24 0.00 0.00 0.00 0.00 51.96 53.69 3hja s ALA 125 Cb -0.47 -3.39 0.92 0.00 0.00 0.00 0.00 23.12 20.18 3hja s ALA 125 CO 0.59 -0.71 1.82 0.87 0.00 0.00 0.00 175.76 178.34 3hja h LYS 126 N 1.91 0.00 0.00 0.00 6.56 -0.92 -3.45 116.57 120.68 3hja h LYS 126 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 3hja h LYS 126 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 3hja h LYS 126 CO 0.60 0.22 0.00 -0.40 -2.06 0.00 0.00 179.45 177.81 3hja n ASP 127 N -3.38 0.77 -4.76 0.86 5.68 -1.26 -5.04 116.55 109.42 3hja n ASP 127 Ca 0.00 -0.40 -0.40 0.00 -0.50 0.00 0.00 54.79 53.49 3hja n ASP 127 Cb 0.43 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.36 3hja n ASP 127 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3hja s GLU 128 N 0.54 4.55 -0.05 0.11 -6.30 -1.26 -5.05 118.70 111.23 3hja s GLU 128 Ca 0.00 1.14 -0.14 0.00 -2.50 0.00 0.00 54.97 53.48 3hja s GLU 128 Cb 0.00 -3.32 0.03 0.00 0.00 0.00 0.00 34.13 30.83 3hja s GLU 128 CO 0.00 0.39 0.31 -1.50 0.02 0.00 0.00 175.26 174.49 3hja s ILE 129 N -0.49 0.04 -0.06 -3.70 2.07 -1.26 -5.01 121.20 112.78 3hja s ILE 129 Ca 0.38 -0.33 -0.35 0.00 -1.41 0.00 0.00 60.65 58.94 3hja s ILE 129 Cb -0.22 -0.57 -0.12 0.00 0.13 0.00 0.00 42.46 41.68 3hja s ILE 129 CO 0.25 -0.18 1.82 1.17 -1.91 0.00 0.00 174.94 176.08 3hja n LYS 130 N 1.78 2.08 -4.94 3.50 3.00 -1.26 -4.81 118.16 117.50 3hja n LYS 130 Ca -0.19 0.76 -0.32 0.00 -0.00 0.00 0.00 58.31 58.56 3hja n LYS 130 Cb 0.56 -2.58 -0.16 0.00 0.00 0.00 0.00 35.03 32.86 3hja n LYS 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hja s THR 131 N 3.48 2.44 -0.09 3.15 2.01 -1.26 -0.58 115.64 124.79 3hja s THR 131 Ca 0.91 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 62.08 3hja s THR 131 Cb -0.72 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.81 3hja s THR 131 CO 0.50 0.54 -0.24 -0.63 -0.69 0.00 0.00 174.62 174.11 3hja s ILE 132 N 0.45 2.02 -0.27 1.82 -1.09 -0.40 -4.78 121.20 118.95 3hja s ILE 132 Ca -0.14 -1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 57.26 3hja s ILE 132 Cb -0.17 -1.75 0.04 0.00 -1.58 0.00 0.00 42.46 39.00 3hja s ILE 132 CO 0.06 0.55 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.59 3hja s VAL 133 N 0.29 2.88 0.32 2.92 1.01 -1.26 -4.26 120.40 122.30 3hja s VAL 133 Ca -0.17 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 3hja s VAL 133 Cb -0.17 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.53 3hja s VAL 133 CO 0.08 0.05 1.56 -0.76 0.00 0.00 0.00 175.10 176.04 3hja s LEU 134 N 1.28 4.33 0.00 3.92 1.43 -1.26 -0.90 118.68 127.49 3hja s LEU 134 Ca -0.03 2.99 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 3hja s LEU 134 Cb -0.18 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3hja s LEU 134 CO -0.03 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.26 3hja n GLY 135 N 1.60 0.87 0.99 -3.19 0.00 -1.26 -4.88 105.19 99.33 3hja n GLY 135 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hja n GLY 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hja n VAL 136 N -2.00 0.91 -2.31 1.61 0.31 -0.08 -4.89 118.33 111.88 3hja n VAL 136 Ca 0.00 0.29 -0.20 0.00 -0.01 0.00 0.00 64.34 64.43 3hja n VAL 136 Cb 0.00 -1.46 0.02 0.00 -0.91 0.00 0.00 33.84 31.49 3hja n VAL 136 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hja n ASN 137 N -3.26 4.09 -0.28 4.52 6.94 -1.00 -4.85 115.26 121.43 3hja n ASN 137 Ca -0.00 -3.40 0.09 0.00 -0.02 0.00 0.00 54.58 51.25 3hja n ASN 137 Cb 0.02 -0.41 0.23 0.00 -2.36 0.00 0.00 39.78 37.26 3hja n ASN 137 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3hja h ASP 138 N 2.41 -0.01 -0.21 0.53 3.32 -1.91 -0.54 116.42 120.01 3hja h ASP 138 Ca 0.24 0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.52 3hja h ASP 138 Cb 1.31 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 3hja h ASP 138 CO 0.67 -0.10 0.39 0.45 -1.72 0.00 0.00 179.24 178.93 3hja h HIS 139 N 0.24 0.00 0.00 4.55 -0.00 -1.98 0.69 115.15 118.65 3hja h HIS 139 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.85 3hja h HIS 139 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 3hja h HIS 139 CO -0.27 0.00 0.00 -0.25 -0.00 0.00 0.00 177.93 177.41 3hja n ASP 140 N -3.32 0.25 -4.70 2.45 8.00 -0.21 -4.72 116.55 114.31 3hja n ASP 140 Ca 0.03 0.55 -0.42 0.00 0.71 0.00 0.00 54.79 55.65 3hja n ASP 140 Cb 0.50 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 3hja n ASP 140 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hja s ILE 141 N -3.09 4.19 0.16 0.53 1.01 0.23 -5.04 121.20 119.20 3hja s ILE 141 Ca 0.08 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.26 3hja s ILE 141 Cb 0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3hja s ILE 141 CO 0.39 0.04 0.11 0.54 0.00 0.00 0.00 174.94 176.02 3hja s ASN 142 N 1.36 0.22 0.43 3.58 2.20 -1.26 -5.06 114.94 116.41 3hja s ASN 142 Ca 0.57 -1.23 0.30 0.00 -0.94 0.00 0.00 52.86 51.55 3hja s ASN 142 Cb -0.26 0.34 1.41 0.00 -2.00 0.00 0.00 41.25 40.74 3hja s ASN 142 CO 0.24 -0.79 1.90 0.28 -2.94 0.00 0.00 177.10 175.79 3hja h SER 143 N 2.74 0.00 0.85 3.54 0.02 -1.95 -2.83 113.55 115.92 3hja h SER 143 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3hja h SER 143 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3hja h SER 143 CO 0.55 0.00 -0.20 0.47 -1.14 0.00 0.00 176.83 176.52 3hja n ASP 144 N -2.63 0.25 -4.71 3.07 8.00 -1.26 -4.90 116.55 114.37 3hja n ASP 144 Ca -0.00 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.32 3hja n ASP 144 Cb 0.17 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3hja n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hja s LEU 145 N -3.14 4.37 -0.18 0.64 1.43 -1.07 -4.91 118.68 115.82 3hja s LEU 145 Ca 0.12 2.68 0.09 0.00 -1.03 0.00 0.00 54.13 56.00 3hja s LEU 145 Cb 0.18 -3.59 -0.18 0.00 0.03 0.00 0.00 46.19 42.64 3hja s LEU 145 CO 0.60 -0.90 -0.05 0.29 0.23 0.00 0.00 176.35 176.52 3hja n LYS 146 N 4.54 0.97 -3.84 1.70 5.02 -1.26 -4.86 118.16 120.42 3hja n LYS 146 Ca 0.15 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.32 3hja n LYS 146 Cb 0.38 -1.42 -0.17 0.00 -0.02 0.00 0.00 35.03 33.80 3hja n LYS 146 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hja s ALA 147 N -2.41 0.29 0.03 7.82 0.00 -1.26 -1.17 121.76 125.06 3hja s ALA 147 Ca -0.17 0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.98 3hja s ALA 147 Cb 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3hja s ALA 147 CO 0.60 -0.19 -0.06 0.08 0.00 0.00 0.00 175.76 176.18 3hja s VAL 148 N 1.32 0.43 -0.09 0.00 1.01 -0.80 -4.26 120.40 118.00 3hja s VAL 148 Ca -0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 3hja s VAL 148 Cb -0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3hja s VAL 148 CO -0.03 -0.32 0.02 -0.55 0.00 0.00 0.00 175.10 174.22 3hja s SER 149 N -1.30 5.36 -0.04 3.32 0.15 0.26 -0.04 113.70 121.41 3hja s SER 149 Ca -0.09 0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.79 3hja s SER 149 Cb -0.09 -1.55 0.24 0.00 -1.71 0.00 0.00 66.02 62.91 3hja s SER 149 CO 0.00 0.37 1.04 -3.20 1.20 0.00 0.00 173.24 172.65 3hja n ASN 150 N 2.18 1.88 0.00 5.45 5.15 -0.96 -1.28 115.26 127.68 3hja n ASN 150 Ca -0.19 -2.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.65 3hja n ASN 150 Cb 0.54 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 3hja n ASN 150 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hja n ALA 151 N 0.20 0.00 -2.41 5.20 0.00 -1.26 -4.80 120.51 117.43 3hja n ALA 151 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 3hja n ALA 151 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 3hja n ALA 151 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hja s SER 152 N -4.00 4.89 0.24 0.00 1.04 -1.26 -3.66 113.70 110.95 3hja s SER 152 Ca 0.00 -0.75 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 3hja s SER 152 Cb 0.00 -0.70 0.25 0.00 0.10 0.00 0.00 66.02 65.67 3hja s SER 152 CO 0.00 -0.46 1.92 0.00 0.98 0.00 0.00 173.24 175.68 3hja h THR 154 N 1.28 1.26 -0.51 0.00 2.02 -1.95 -1.83 112.91 113.19 3hja h THR 154 Ca 0.36 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 3hja h THR 154 Cb -0.13 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3hja h THR 154 CO -0.08 0.37 0.05 0.74 0.37 0.00 0.00 175.52 176.97 3hja h THR 155 N 0.80 1.24 0.00 3.16 2.02 -1.71 0.09 112.91 118.51 3hja h THR 155 Ca 0.16 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 3hja h THR 155 Cb 0.48 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3hja h THR 155 CO 0.02 0.34 -0.20 0.78 0.37 0.00 0.00 175.52 176.83 3hja h ASN 156 N 0.78 0.00 0.04 4.18 2.35 -0.86 0.36 115.58 122.42 3hja h ASN 156 Ca 0.16 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3hja h ASN 156 Cb 0.39 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.77 3hja h ASN 156 CO 0.01 0.20 -0.41 0.00 -1.65 0.00 0.00 177.43 175.58 3hja h LEU 158 N -0.50 0.53 -0.17 0.00 5.85 -0.81 -3.32 115.31 116.88 3hja h LEU 158 Ca -0.06 -0.77 0.03 0.00 0.84 0.00 0.00 57.88 57.91 3hja h LEU 158 Cb 1.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3hja h LEU 158 CO 0.08 1.23 0.00 0.00 -0.34 0.00 0.00 178.44 179.42 3hja h ALA 159 N 0.30 0.15 -0.86 1.25 0.00 -1.15 0.11 119.26 119.07 3hja h ALA 159 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hja h ALA 159 Cb 1.33 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 3hja h ALA 159 CO 0.12 -0.44 0.53 -1.35 0.00 0.00 0.00 179.25 178.12 3hja h PRO 160 N 0.06 1.15 0.04 0.00 0.11 -1.76 0.55 132.00 132.16 3hja h PRO 160 Ca 0.08 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hja h PRO 160 Cb 0.09 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 30.96 3hja h PRO 160 CO -0.13 0.79 -0.02 1.25 -0.21 0.00 0.00 178.00 179.67 3hja h LEU 161 N 1.17 -0.05 -1.16 2.35 5.85 -1.57 -2.69 115.31 119.21 3hja h LEU 161 Ca 0.31 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 3hja h LEU 161 Cb -0.08 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3hja h LEU 161 CO -0.06 -0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 177.95 3hja h ALA 162 N 0.86 1.30 -0.04 1.25 0.00 -0.34 -2.28 119.26 120.01 3hja h ALA 162 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hja h ALA 162 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hja h ALA 162 CO 0.01 0.47 -0.06 -0.22 0.00 0.00 0.00 179.25 179.45 3hja h LYS 163 N 0.46 -0.08 -0.28 0.00 3.64 -0.75 0.17 116.57 119.71 3hja h LYS 163 Ca 0.09 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3hja h LYS 163 Cb 0.43 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3hja h LYS 163 CO 0.02 -0.06 -0.02 0.28 -2.27 0.00 0.00 179.45 177.41 3hja h VAL 164 N -0.09 1.27 -0.77 2.00 2.07 -1.32 -0.81 116.25 118.59 3hja h VAL 164 Ca 0.04 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 3hja h VAL 164 Cb 0.14 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3hja h VAL 164 CO -0.09 0.31 0.27 -0.07 0.02 0.00 0.00 177.57 178.01 3hja h LEU 165 N 0.29 1.10 -0.29 2.57 3.38 -1.30 -0.81 115.31 120.25 3hja h LEU 165 Ca 0.08 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3hja h LEU 165 Cb 0.47 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hja h LEU 165 CO 0.02 1.00 -0.17 -0.74 0.09 0.00 0.00 178.44 178.63 3hja h HIS 166 N 1.14 0.73 -0.90 1.13 2.76 -0.53 0.55 115.15 120.03 3hja h HIS 166 Ca 0.25 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3hja h HIS 166 Cb 0.27 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 3hja h HIS 166 CO 0.02 0.88 0.54 0.93 -1.30 0.00 0.00 177.93 179.00 3hja h GLU 167 N 0.37 1.21 0.18 5.26 5.08 -0.93 -0.55 114.58 125.19 3hja h GLU 167 Ca 0.06 -0.11 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 3hja h GLU 167 Cb 0.71 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3hja h GLU 167 CO 0.05 0.85 -1.55 0.77 -1.00 0.00 0.00 179.01 178.12 3hja h SER 168 N 1.23 0.58 0.00 1.42 0.02 -1.10 -3.43 113.55 112.28 3hja h SER 168 Ca 0.32 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3hja h SER 168 Cb -0.06 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.29 3hja h SER 168 CO -0.06 1.71 -0.90 0.49 -1.14 0.00 0.00 176.83 176.92 3hja n PHE 169 N -3.74 0.00 0.00 3.45 3.72 0.16 -4.99 117.46 116.06 3hja n PHE 169 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3hja n PHE 169 Cb 1.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 3hja n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hja n GLY 170 N 2.34 -2.88 3.49 1.37 0.00 -0.22 -2.28 105.19 107.01 3hja n GLY 170 Ca 0.00 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3hja n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hja s ILE 171 N -1.08 4.07 -0.11 -0.61 1.01 -1.26 -0.57 121.20 122.65 3hja s ILE 171 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3hja s ILE 171 Cb 0.00 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 3hja s ILE 171 CO 0.00 0.44 -0.04 -0.08 0.00 0.00 0.00 174.94 175.26 3hja h GLU 172 N 7.22 0.00 -3.57 2.79 4.81 -1.10 -3.47 114.58 121.26 3hja h GLU 172 Ca -0.35 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 3hja h GLU 172 Cb 1.18 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 3hja h GLU 172 CO 0.62 0.00 -0.18 -0.65 -0.73 0.00 0.00 179.01 178.07 3hja s GLN 173 N -1.70 1.06 -0.02 1.92 -0.21 -1.23 -4.86 119.66 114.62 3hja s GLN 173 Ca -0.03 -0.87 -0.20 0.00 0.02 0.00 0.00 55.36 54.27 3hja s GLN 173 Cb 0.00 0.43 0.04 0.00 1.00 0.00 0.00 33.01 34.48 3hja s GLN 173 CO 0.05 -0.40 0.44 0.20 -2.12 0.00 0.00 175.29 173.46 3hja s GLY 174 N -2.85 -0.30 0.05 3.09 0.00 0.18 -0.96 107.32 106.53 3hja s GLY 174 Ca 0.06 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.45 3hja s GLY 174 CO -0.09 0.37 -0.12 1.08 0.00 0.00 0.00 173.10 174.33 3hja s LEU 175 N -1.39 2.22 0.05 0.66 1.43 0.48 -2.19 118.68 119.94 3hja s LEU 175 Ca -0.12 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3hja s LEU 175 Cb -0.03 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 3hja s LEU 175 CO 0.05 -0.05 0.01 0.00 0.23 0.00 0.00 176.35 176.59 3hja s MET 176 N -1.39 0.64 0.01 1.70 0.23 -0.45 -0.44 119.30 119.59 3hja s MET 176 Ca -0.02 -1.13 0.06 0.00 -1.03 0.00 0.00 55.69 53.57 3hja s MET 176 Cb -0.09 0.23 -0.02 0.00 -1.53 0.00 0.00 34.83 33.43 3hja s MET 176 CO 0.01 -0.14 -0.18 0.99 -2.03 0.00 0.00 175.02 173.68 3hja s THR 177 N -3.75 1.39 -0.20 3.16 2.01 -0.49 -1.57 115.64 116.20 3hja s THR 177 Ca 0.05 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 3hja s THR 177 Cb 0.06 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 3hja s THR 177 CO -0.10 0.28 0.02 0.28 -0.69 0.00 0.00 174.62 174.42 3hja s THR 178 N -0.56 4.23 -0.37 -0.82 -1.32 -0.64 0.27 115.64 116.41 3hja s THR 178 Ca 0.06 -0.22 -0.17 0.00 -1.21 0.00 0.00 61.69 60.15 3hja s THR 178 Cb -0.07 -2.92 0.00 0.00 -1.51 0.00 0.00 72.50 68.00 3hja s THR 178 CO 0.00 0.43 0.45 -0.69 -2.21 0.00 0.00 174.62 172.60 3hja s VAL 179 N 0.87 5.07 -0.03 5.08 1.01 0.34 -0.32 120.40 132.43 3hja s VAL 179 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3hja s VAL 179 Cb -0.14 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3hja s VAL 179 CO 0.02 -0.27 -0.09 -2.28 0.00 0.00 0.00 175.10 172.49 3hja s HIS 180 N 2.23 0.92 0.65 5.22 5.04 0.26 -0.91 115.29 128.70 3hja s HIS 180 Ca 0.15 -0.23 -0.17 0.00 -1.54 0.00 0.00 55.06 53.26 3hja s HIS 180 Cb -0.16 -0.67 -0.04 0.00 0.04 0.00 0.00 32.58 31.75 3hja s HIS 180 CO 0.13 -0.11 0.82 0.00 -2.34 0.00 0.00 174.74 173.25 3hja n ALA 181 N 3.34 -0.43 -1.44 1.58 0.00 -1.17 -0.88 120.51 121.52 3hja n ALA 181 Ca -0.19 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.84 3hja n ALA 181 Cb 0.54 -2.02 0.06 0.00 0.00 0.00 0.00 19.45 18.03 3hja n ALA 181 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3hja s TYR 182 N -1.69 2.64 0.38 0.00 -0.85 -0.67 -4.69 117.35 112.47 3hja s TYR 182 Ca 0.73 1.55 0.04 0.00 -0.52 0.00 0.00 57.07 58.86 3hja s TYR 182 Cb -0.39 -3.11 -0.03 0.00 0.38 0.00 0.00 41.96 38.81 3hja s TYR 182 CO 0.50 -1.68 0.11 0.95 -1.52 0.00 0.00 175.55 173.92 3hja s THR 183 N -2.55 0.74 -1.33 -3.49 -4.23 -1.26 -4.73 115.64 98.78 3hja s THR 183 Ca 0.65 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.27 3hja s THR 183 Cb -0.19 -2.46 0.17 0.00 1.34 0.00 0.00 72.50 71.36 3hja s THR 183 CO 0.46 0.00 1.28 0.59 -0.54 0.00 0.00 174.62 176.42 3hja n ASN 184 N -1.12 0.00 0.02 3.99 3.02 -1.26 -1.58 115.26 118.34 3hja n ASN 184 Ca -0.05 0.21 0.10 0.00 -0.03 0.00 0.00 54.58 54.81 3hja n ASN 184 Cb 0.65 -0.33 0.44 0.00 -0.61 0.00 0.00 39.78 39.93 3hja n ASN 184 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hja n ASP 185 N -1.33 0.14 -4.35 6.41 2.03 -1.26 -4.86 116.55 113.33 3hja n ASP 185 Ca 0.05 0.52 -0.17 0.00 0.52 0.00 0.00 54.79 55.71 3hja n ASP 185 Cb 0.10 -0.56 0.07 0.00 -0.72 0.00 0.00 41.12 40.01 3hja n ASP 185 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hja n GLN 186 N -1.64 0.43 -4.88 -0.67 6.02 -0.62 -4.96 117.38 111.07 3hja n GLN 186 Ca 0.05 -2.50 -0.31 0.00 -0.01 0.00 0.00 57.00 54.23 3hja n GLN 186 Cb 0.25 -0.33 -0.14 0.00 1.02 0.00 0.00 30.24 31.05 3hja n GLN 186 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hja s ARG 187 N -4.37 2.09 0.07 -1.09 1.81 -1.20 -5.01 118.95 111.24 3hja s ARG 187 Ca 0.53 -0.95 -0.17 0.00 -1.72 0.00 0.00 55.73 53.41 3hja s ARG 187 Cb -0.04 -2.14 -0.13 0.00 -0.45 0.00 0.00 34.95 32.19 3hja s ARG 187 CO 0.34 0.55 1.34 0.97 -0.68 0.00 0.00 175.30 177.82 3hja h ILE 188 N 4.18 1.33 -3.14 1.52 6.09 -1.93 0.15 117.51 125.72 3hja h ILE 188 Ca -0.46 -1.53 -0.40 0.00 -1.37 0.00 0.00 64.86 61.10 3hja h ILE 188 Cb 1.14 1.84 -0.14 0.00 0.47 0.00 0.00 36.82 40.14 3hja h ILE 188 CO 0.47 0.47 -0.68 -0.76 -3.07 0.00 0.00 178.15 174.58 3hja s LEU 189 N -8.89 2.35 -0.01 2.19 1.43 -1.26 -3.72 118.68 110.78 3hja s LEU 189 Ca -0.13 -1.15 -0.37 0.00 -1.03 0.00 0.00 54.13 51.45 3hja s LEU 189 Cb 0.07 -0.40 -0.16 0.00 0.03 0.00 0.00 46.19 45.73 3hja s LEU 189 CO 0.81 -0.41 1.51 0.47 0.23 0.00 0.00 176.35 178.96 3hja n ASP 190 N -0.41 2.14 -3.52 2.29 9.92 -1.26 -4.38 116.55 121.33 3hja n ASP 190 Ca -0.06 1.09 -0.17 0.00 -0.53 0.00 0.00 54.79 55.12 3hja n ASP 190 Cb 0.63 -1.22 -0.06 0.00 -0.64 0.00 0.00 41.12 39.83 3hja n ASP 190 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hja s LEU 191 N 1.56 -0.64 0.41 0.64 2.96 -0.29 -4.96 118.68 118.36 3hja s LEU 191 Ca 0.88 0.64 -0.25 0.00 -0.22 0.00 0.00 54.13 55.18 3hja s LEU 191 Cb -0.93 2.51 -0.11 0.00 0.50 0.00 0.00 46.19 48.16 3hja s LEU 191 CO 0.51 -0.62 1.11 -2.65 -1.32 0.00 0.00 176.35 173.37 3hja n PRO 192 N 0.79 1.57 -3.57 0.98 -0.02 -1.26 -4.47 135.00 129.02 3hja n PRO 192 Ca -0.18 0.56 -0.15 0.00 -2.02 0.00 0.00 63.50 61.70 3hja n PRO 192 Cb 0.58 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 3hja n PRO 192 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hja s HIS 193 N -1.23 -0.67 0.29 6.00 2.46 -1.26 -4.92 115.29 115.96 3hja s HIS 193 Ca 0.62 1.36 0.28 0.00 0.47 0.00 0.00 55.06 57.80 3hja s HIS 193 Cb -0.55 0.36 1.32 0.00 -0.13 0.00 0.00 32.58 33.58 3hja s HIS 193 CO 0.58 -0.48 1.99 0.66 -2.47 0.00 0.00 174.74 175.02 3hja h SER 194 N 3.73 0.00 -3.59 9.88 4.64 -1.98 -3.37 113.55 122.87 3hja h SER 194 Ca -0.27 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.37 3hja h SER 194 Cb 1.15 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.06 3hja h SER 194 CO 0.25 0.13 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.47 3hja s ASP 195 N -6.03 6.19 0.57 4.97 -1.08 -1.26 -4.96 116.67 115.07 3hja s ASP 195 Ca -0.01 -0.48 0.37 0.00 -0.52 0.00 0.00 52.55 51.90 3hja s ASP 195 Cb 0.11 -2.21 1.73 0.00 -1.46 0.00 0.00 42.92 41.10 3hja s ASP 195 CO 0.58 -0.47 2.10 -0.07 0.52 0.00 0.00 175.17 177.84 3hja h LEU 196 N 8.90 0.00 0.21 -1.34 3.38 -2.00 -1.38 115.31 123.09 3hja h LEU 196 Ca -0.28 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.35 3hja h LEU 196 Cb 1.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.90 3hja h LEU 196 CO 0.75 0.00 -1.63 0.03 0.09 0.00 0.00 178.44 177.68 3hja h ARG 197 N 0.00 0.45 0.00 1.13 3.08 -1.93 -3.30 114.38 113.81 3hja h ARG 197 Ca 0.00 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.27 3hja h ARG 197 Cb 0.29 0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hja h ARG 197 CO 0.00 1.37 0.00 0.54 -1.07 0.00 0.00 179.97 180.81 3hja n ARG 198 N -3.64 0.05 0.12 0.04 1.74 -0.62 -1.87 116.66 112.48 3hja n ARG 198 Ca -0.21 0.30 0.11 0.00 -0.77 0.00 0.00 57.85 57.28 3hja n ARG 198 Cb 1.09 -1.59 0.47 0.00 -1.02 0.00 0.00 32.46 31.41 3hja n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hja n ALA 199 N -1.56 1.54 -2.75 7.54 0.00 -0.63 -3.24 120.51 121.41 3hja n ALA 199 Ca 0.03 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 3hja n ALA 199 Cb 0.18 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 3hja n ALA 199 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hja s ARG 200 N -3.31 3.61 -0.35 0.00 1.81 -0.78 -1.14 118.95 118.78 3hja s ARG 200 Ca 0.03 0.06 -0.32 0.00 -1.72 0.00 0.00 55.73 53.78 3hja s ARG 200 Cb 0.08 -3.20 -0.14 0.00 -0.45 0.00 0.00 34.95 31.25 3hja s ARG 200 CO 0.33 0.75 1.46 0.00 -0.68 0.00 0.00 175.30 177.16 3hja n ALA 201 N 1.89 -0.00 0.18 2.13 0.00 -1.26 -4.42 120.51 119.02 3hja n ALA 201 Ca -0.18 0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3hja n ALA 201 Cb 0.54 -1.46 0.33 0.00 0.00 0.00 0.00 19.45 18.86 3hja n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hja h ALA 202 N 5.98 1.24 -0.43 0.00 0.00 -0.77 -2.81 119.26 122.48 3hja h ALA 202 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hja h ALA 202 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hja h ALA 202 CO 0.76 0.53 0.00 0.00 0.00 0.00 0.00 179.25 180.54 3hja n ALA 203 N -2.43 2.44 0.17 0.00 0.00 -1.26 -4.17 120.51 115.26 3hja n ALA 203 Ca -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 53.44 52.63 3hja n ALA 203 Cb 0.46 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 3hja n ALA 203 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hja n LEU 204 N 0.90 0.17 -4.04 0.00 4.77 -1.06 -4.78 117.00 112.97 3hja n LEU 204 Ca 0.17 -0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 3hja n LEU 204 Cb 0.42 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 3hja n LEU 204 CO 0.12 0.04 -0.27 -0.44 -1.33 0.00 0.00 177.39 175.52 3hja s SER 205 N -1.91 0.35 -0.10 -1.43 0.01 -1.24 -5.07 113.70 104.30 3hja s SER 205 Ca 0.01 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.03 3hja s SER 205 Cb 0.04 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 3hja s SER 205 CO 0.23 -0.67 0.99 -0.63 0.41 0.00 0.00 173.24 173.57 3hja s ILE 206 N -3.93 4.81 -0.30 1.44 1.01 -1.26 -4.17 121.20 118.79 3hja s ILE 206 Ca 0.10 2.01 0.01 0.00 0.00 0.00 0.00 60.65 62.77 3hja s ILE 206 Cb 0.07 -4.30 0.09 0.00 0.01 0.00 0.00 42.46 38.33 3hja s ILE 206 CO -0.08 0.03 0.04 -0.63 0.00 0.00 0.00 174.94 174.31 3hja s ILE 207 N 1.87 1.52 0.38 2.92 1.01 0.54 -4.94 121.20 124.50 3hja s ILE 207 Ca 0.48 -1.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.18 3hja s ILE 207 Cb -0.18 -2.05 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 3hja s ILE 207 CO 0.19 -0.51 1.42 -2.84 0.00 0.00 0.00 174.94 173.20 3hja s PRO 208 N 1.32 4.11 -0.03 2.79 0.02 -1.26 -0.50 135.00 141.44 3hja s PRO 208 Ca 0.06 2.44 -0.19 0.00 0.02 0.00 0.00 61.00 63.34 3hja s PRO 208 Cb -0.18 -2.94 0.04 0.00 0.02 0.00 0.00 34.50 31.43 3hja s PRO 208 CO -0.14 -0.48 0.40 -0.08 -0.33 0.00 0.00 177.00 176.37 3hja s THR 209 N -1.15 0.04 0.63 0.99 -1.32 -0.02 -4.76 115.64 110.04 3hja s THR 209 Ca 0.53 -0.33 -0.15 0.00 -1.21 0.00 0.00 61.69 60.53 3hja s THR 209 Cb -0.44 -0.70 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 3hja s THR 209 CO 0.59 -0.18 1.07 -0.94 -2.21 0.00 0.00 174.62 172.94 3hja s SER 210 N -1.18 5.57 -0.10 8.08 1.04 -1.26 -1.27 113.70 124.58 3hja s SER 210 Ca -0.12 1.81 -0.09 0.00 0.48 0.00 0.00 55.95 58.03 3hja s SER 210 Cb -0.04 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.58 3hja s SER 210 CO 0.05 -1.31 0.26 0.28 0.98 0.00 0.00 173.24 173.51 3hja s THR 211 N -2.55 -0.00 -2.16 2.02 -1.32 -1.26 -4.74 115.64 105.63 3hja s THR 211 Ca 0.63 0.02 0.18 0.00 -1.21 0.00 0.00 61.69 61.31 3hja s THR 211 Cb -0.16 -0.37 0.44 0.00 -1.51 0.00 0.00 72.50 70.89 3hja s THR 211 CO 0.41 0.01 1.42 0.61 -2.21 0.00 0.00 174.62 174.86 3hja n GLY 212 N 3.08 1.13 0.29 6.08 0.00 -1.26 -4.57 105.19 109.94 3hja n GLY 212 Ca -0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 3hja n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hja h ALA 213 N 4.05 1.20 -0.06 4.61 0.00 -1.95 0.41 119.26 127.53 3hja h ALA 213 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3hja h ALA 213 Cb 0.68 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hja h ALA 213 CO 0.00 0.53 -0.35 0.00 0.00 0.00 0.00 179.25 179.44 3hja h ALA 214 N 1.34 0.12 -0.67 0.00 0.00 -1.89 -3.14 119.26 115.03 3hja h ALA 214 Ca 0.15 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3hja h ALA 214 Cb 0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hja h ALA 214 CO 0.01 0.20 0.45 0.87 0.00 0.00 0.00 179.25 180.77 3hja h LYS 215 N -0.17 0.89 0.00 0.00 1.57 -1.53 -2.03 116.57 115.29 3hja h LYS 215 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3hja h LYS 215 Cb 1.01 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3hja h LYS 215 CO 0.07 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.54 3hja h ALA 216 N 1.58 1.00 -0.76 3.86 0.00 -0.88 -2.22 119.26 121.84 3hja h ALA 216 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.28 3hja h ALA 216 Cb -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3hja h ALA 216 CO -0.05 0.00 0.50 0.28 0.00 0.00 0.00 179.25 179.98 3hja h VAL 217 N 0.00 0.87 0.00 0.00 2.07 -1.32 -0.70 116.25 117.17 3hja h VAL 217 Ca 0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hja h VAL 217 Cb 0.12 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3hja h VAL 217 CO 0.00 0.10 -0.01 1.23 0.02 0.00 0.00 177.57 178.91 3hja h GLY 218 N 0.55 0.00 1.44 2.17 0.00 -1.56 0.15 103.07 105.82 3hja h GLY 218 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.56 3hja h GLY 218 CO -0.13 0.00 -0.39 1.41 0.00 0.00 0.00 176.54 177.43 3hja h LEU 219 N 0.00 0.65 0.00 3.11 3.38 -1.30 -3.21 115.31 117.94 3hja h LEU 219 Ca -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hja h LEU 219 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3hja h LEU 219 CO 0.00 0.97 -1.52 1.33 0.09 0.00 0.00 178.44 179.31 3hja n VAL 220 N -4.04 0.00 -3.64 1.22 0.24 -0.70 -4.69 118.33 106.72 3hja n VAL 220 Ca -0.02 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.34 61.69 3hja n VAL 220 Cb 0.51 0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 33.14 3hja n VAL 220 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3hja s LEU 221 N -3.81 2.53 0.46 1.34 1.43 0.44 -4.45 118.68 116.62 3hja s LEU 221 Ca -0.02 -2.84 0.14 0.00 -1.03 0.00 0.00 54.13 50.38 3hja s LEU 221 Cb 0.12 -0.92 1.09 0.00 0.03 0.00 0.00 46.19 46.51 3hja s LEU 221 CO 0.75 -0.23 2.04 -0.65 0.23 0.00 0.00 176.35 178.49 3hja h PRO 222 N 6.35 0.29 0.00 1.29 0.11 -1.81 0.20 132.00 138.44 3hja h PRO 222 Ca 0.08 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 3hja h PRO 222 Cb 0.90 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hja h PRO 222 CO 0.47 0.19 -0.01 0.93 -0.21 0.00 0.00 178.00 179.37 3hja h GLU 223 N 0.30 0.00 -0.23 1.05 5.08 -1.96 -2.22 114.58 116.60 3hja h GLU 223 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hja h GLU 223 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hja h GLU 223 CO -0.04 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.26 3hja n LEU 224 N -3.22 3.01 -4.67 1.33 4.77 0.06 -4.93 117.00 113.34 3hja n LEU 224 Ca -0.02 -1.19 -0.46 0.00 -0.03 0.00 0.00 56.01 54.30 3hja n LEU 224 Cb 0.12 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 3hja n LEU 224 CO 0.23 0.60 1.12 1.17 -1.33 0.00 0.00 177.39 179.17 3hja n LYS 225 N 1.24 2.06 -0.88 3.23 4.81 -0.84 -1.41 118.16 126.38 3hja n LYS 225 Ca 0.17 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 3hja n LYS 225 Cb 0.56 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.14 3hja n LYS 225 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hja n GLY 226 N 2.95 0.51 0.00 3.14 0.00 -1.26 -4.85 105.19 105.69 3hja n GLY 226 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3hja n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hja n LYS 227 N -1.82 0.49 -4.51 1.61 5.02 -0.50 -4.97 118.16 113.48 3hja n LYS 227 Ca 0.00 -0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 55.96 3hja n LYS 227 Cb 0.07 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 3hja n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hja s LEU 228 N -3.72 2.17 0.29 -0.35 1.43 -1.26 -0.64 118.68 116.60 3hja s LEU 228 Ca -0.00 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 3hja s LEU 228 Cb 0.14 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.55 3hja s LEU 228 CO 0.85 0.10 0.46 0.21 0.23 0.00 0.00 176.35 178.20 3hja s ASN 229 N -1.16 0.37 0.00 2.29 3.84 -0.93 -3.36 114.94 115.98 3hja s ASN 229 Ca 0.05 -1.22 -0.28 0.00 0.21 0.00 0.00 52.86 51.61 3hja s ASN 229 Cb -0.08 0.61 0.10 0.00 -0.55 0.00 0.00 41.25 41.33 3hja s ASN 229 CO 0.02 -1.21 1.27 -0.83 -2.79 0.00 0.00 177.10 173.55 3hja s GLY 230 N -3.13 -0.16 0.19 1.21 0.00 -1.26 -1.34 107.32 102.83 3hja s GLY 230 Ca 0.27 0.13 -0.00 0.00 0.00 0.00 0.00 44.72 45.11 3hja s GLY 230 CO 0.14 4.31 0.10 -1.08 0.00 0.00 0.00 173.10 176.57 3hja s THR 231 N -2.11 0.15 0.08 0.90 -1.32 -0.61 -4.31 115.64 108.42 3hja s THR 231 Ca 0.26 -1.98 0.08 0.00 -1.21 0.00 0.00 61.69 58.84 3hja s THR 231 Cb 0.00 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 3hja s THR 231 CO -0.01 -0.15 -0.21 -0.55 -2.21 0.00 0.00 174.62 171.50 3hja s SER 232 N -3.16 2.52 -0.23 8.08 0.15 -0.39 -1.62 113.70 119.05 3hja s SER 232 Ca 0.34 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.36 3hja s SER 232 Cb 0.07 -0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.28 3hja s SER 232 CO 0.09 0.09 -0.05 -0.04 1.20 0.00 0.00 173.24 174.53 3hja s MET 233 N -1.69 1.60 -0.11 5.44 -1.94 0.56 -0.84 119.30 122.32 3hja s MET 233 Ca 0.07 -0.93 -0.27 0.00 -1.71 0.00 0.00 55.69 52.85 3hja s MET 233 Cb -0.10 -2.52 -0.02 0.00 2.01 0.00 0.00 34.83 34.20 3hja s MET 233 CO 0.03 -0.58 0.88 1.03 -0.01 0.00 0.00 175.02 176.37 3hja s ARG 234 N 1.43 4.39 0.28 2.03 1.81 0.35 -0.58 118.95 128.66 3hja s ARG 234 Ca -0.05 1.15 0.07 0.00 -1.72 0.00 0.00 55.73 55.17 3hja s ARG 234 Cb -0.18 -3.53 -0.06 0.00 -0.45 0.00 0.00 34.95 30.73 3hja s ARG 234 CO -0.06 -0.22 -0.06 0.14 -0.68 0.00 0.00 175.30 174.42 3hja s VAL 235 N 1.72 1.63 -1.19 3.52 -7.23 -0.06 -0.34 120.40 118.46 3hja s VAL 235 Ca 0.43 -2.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 3hja s VAL 235 Cb -0.18 -2.44 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 3hja s VAL 235 CO 0.17 -0.31 2.39 -2.65 -0.31 0.00 0.00 175.10 174.39 3hja n PRO 236 N -0.57 2.64 -4.57 4.82 -0.02 -1.26 -3.09 135.00 132.96 3hja n PRO 236 Ca -0.05 -1.83 -0.23 0.00 -2.02 0.00 0.00 63.50 59.36 3hja n PRO 236 Cb 0.63 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.29 3hja n PRO 236 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hja s VAL 237 N 3.12 1.34 0.10 -1.45 -7.23 -1.26 -5.01 120.40 110.00 3hja s VAL 237 Ca 0.52 -0.97 0.13 0.00 -1.81 0.00 0.00 61.98 59.85 3hja s VAL 237 Cb 0.14 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 3hja s VAL 237 CO -0.03 0.18 1.50 1.55 -0.31 0.00 0.00 175.10 177.98 3hja h PRO 238 N 5.16 0.00 -3.31 4.82 0.13 -1.87 -1.77 132.00 135.15 3hja h PRO 238 Ca -0.39 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 3hja h PRO 238 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 3hja h PRO 238 CO 0.45 0.65 -0.07 -0.08 -0.23 0.00 0.00 178.00 178.72 3hja s THR 239 N -3.18 0.07 0.00 1.56 -1.32 -1.26 -4.64 115.64 106.87 3hja s THR 239 Ca 0.01 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 3hja s THR 239 Cb 0.10 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 3hja s THR 239 CO 0.76 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 3hja n GLY 240 N -0.10 2.02 3.21 6.08 0.00 -1.26 -4.83 105.19 110.32 3hja n GLY 240 Ca -0.16 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3hja n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hja s SER 241 N 0.00 0.20 -0.11 1.61 0.01 0.28 -3.04 113.70 112.65 3hja s SER 241 Ca 0.00 -1.22 -0.06 0.00 1.31 0.00 0.00 55.95 55.99 3hja s SER 241 Cb 0.00 0.36 0.05 0.00 0.21 0.00 0.00 66.02 66.64 3hja s SER 241 CO 0.00 -0.81 0.26 -0.51 0.41 0.00 0.00 173.24 172.59 3hja s ILE 242 N -4.08 -0.05 -0.06 1.44 2.07 -0.09 -0.94 121.20 119.49 3hja s ILE 242 Ca 0.29 0.15 -0.18 0.00 -1.41 0.00 0.00 60.65 59.49 3hja s ILE 242 Cb 0.06 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 42.20 3hja s ILE 242 CO 0.06 0.06 0.49 -0.69 -1.91 0.00 0.00 174.94 172.95 3hja s VAL 243 N 1.31 5.08 -0.35 4.00 1.01 0.33 -0.50 120.40 131.28 3hja s VAL 243 Ca -0.09 0.99 0.03 0.00 0.00 0.00 0.00 61.98 62.91 3hja s VAL 243 Cb -0.10 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.56 3hja s VAL 243 CO -0.09 0.41 0.08 -0.62 0.00 0.00 0.00 175.10 174.88 3hja s ASP 244 N 0.02 4.84 -0.29 3.32 2.15 0.14 -1.18 116.67 125.68 3hja s ASP 244 Ca 0.27 -2.15 -0.10 0.00 0.43 0.00 0.00 52.55 51.00 3hja s ASP 244 Cb -0.16 -1.66 -0.03 0.00 -0.30 0.00 0.00 42.92 40.77 3hja s ASP 244 CO 0.13 -0.40 0.15 -0.22 -0.17 0.00 0.00 175.17 174.66 3hja s LEU 245 N 0.93 3.97 -0.26 -1.34 2.96 0.66 -1.39 118.68 124.20 3hja s LEU 245 Ca 0.11 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 3hja s LEU 245 Cb -0.20 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3hja s LEU 245 CO -0.07 -0.12 0.09 -0.89 -1.32 0.00 0.00 176.35 174.04 3hja s THR 246 N 1.67 4.37 -0.01 3.68 2.01 0.42 -0.70 115.64 127.07 3hja s THR 246 Ca 0.06 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.84 3hja s THR 246 Cb -0.16 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.25 3hja s THR 246 CO 0.08 0.27 -0.07 0.54 -0.69 0.00 0.00 174.62 174.75 3hja s VAL 247 N 1.61 0.56 -0.39 3.82 0.11 -0.03 -0.39 120.40 125.69 3hja s VAL 247 Ca 0.06 -0.27 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 3hja s VAL 247 Cb -0.16 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.21 3hja s VAL 247 CO 0.04 0.17 0.55 -1.58 -3.33 0.00 0.00 175.10 170.95 3hja s GLN 248 N 0.02 3.45 0.40 1.54 2.00 -0.13 -0.80 119.66 126.13 3hja s GLN 248 Ca 0.00 -0.30 -0.03 0.00 -2.00 0.00 0.00 55.36 53.04 3hja s GLN 248 Cb -0.05 -3.87 -0.04 0.00 0.80 0.00 0.00 33.01 29.85 3hja s GLN 248 CO -0.00 -0.79 0.66 -0.51 -0.50 0.00 0.00 175.29 174.15 3hja s LEU 249 N 2.50 3.85 0.10 3.68 1.43 0.90 -0.51 118.68 130.62 3hja s LEU 249 Ca 0.19 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.06 3hja s LEU 249 Cb -0.15 -3.60 -0.22 0.00 0.03 0.00 0.00 46.19 42.24 3hja s LEU 249 CO 0.15 -0.41 1.20 0.11 0.23 0.00 0.00 176.35 177.64 3hja h LYS 250 N 0.64 0.04 -6.31 1.70 1.57 -0.62 -3.42 116.57 110.16 3hja h LYS 250 Ca -0.48 -0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 57.70 3hja h LYS 250 Cb 1.21 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 3hja h LYS 250 CO 0.62 0.99 1.15 0.21 -0.57 0.00 0.00 179.45 181.84 3hja s LYS 251 N -2.69 3.14 0.21 3.15 2.20 -0.97 -4.89 119.74 119.90 3hja s LYS 251 Ca -0.00 0.36 0.25 0.00 -0.36 0.00 0.00 55.97 56.21 3hja s LYS 251 Cb 0.09 -4.19 0.90 0.00 -1.51 0.00 0.00 37.83 33.13 3hja s LYS 251 CO 0.83 -2.14 1.74 1.63 -0.36 0.00 0.00 175.35 177.05 3hja n LYS 252 N 8.92 0.20 -0.51 4.03 4.76 -1.26 -2.77 118.16 131.53 3hja n LYS 252 Ca 0.12 0.30 0.08 0.00 -2.87 0.00 0.00 58.31 55.94 3hja n LYS 252 Cb 0.50 -1.80 0.28 0.00 -1.84 0.00 0.00 35.03 32.16 3hja n LYS 252 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3hja n ASP 253 N -2.17 4.15 -4.75 4.39 5.75 -1.26 -2.65 116.55 120.00 3hja n ASP 253 Ca 0.04 -3.01 -0.37 0.00 -0.01 0.00 0.00 54.79 51.44 3hja n ASP 253 Cb 0.32 -0.57 0.03 0.00 -1.03 0.00 0.00 41.12 39.88 3hja n ASP 253 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hja s VAL 254 N -2.82 2.42 0.33 2.12 0.11 -1.11 -5.01 120.40 116.43 3hja s VAL 254 Ca 0.44 0.30 0.10 0.00 -2.93 0.00 0.00 61.98 59.89 3hja s VAL 254 Cb 0.35 -3.15 -0.06 0.00 -1.53 0.00 0.00 36.38 32.00 3hja s VAL 254 CO 0.10 -0.02 -0.08 0.42 -3.33 0.00 0.00 175.10 172.19 3hja s THR 255 N -1.42 2.44 0.25 5.04 -4.23 -1.26 -4.72 115.64 111.73 3hja s THR 255 Ca 0.72 -2.16 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3hja s THR 255 Cb -0.35 -2.64 0.22 0.00 1.34 0.00 0.00 72.50 71.06 3hja s THR 255 CO 0.41 -0.24 1.80 0.50 -0.54 0.00 0.00 174.62 176.55 3hja h LYS 256 N 2.00 0.73 -0.23 3.99 3.64 -1.91 -1.22 116.57 123.56 3hja h LYS 256 Ca -0.42 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 58.78 3hja h LYS 256 Cb 1.25 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3hja h LYS 256 CO 0.67 0.48 -0.44 0.93 -2.27 0.00 0.00 179.45 178.82 3hja h GLU 257 N 0.75 0.58 -0.21 1.90 3.07 -1.96 -1.50 114.58 117.21 3hja h GLU 257 Ca 0.41 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 3hja h GLU 257 Cb 0.41 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3hja h GLU 257 CO -0.27 0.91 0.05 1.49 -1.40 0.00 0.00 179.01 179.79 3hja h GLU 258 N 0.47 0.34 -0.11 2.33 4.81 -1.85 0.45 114.58 121.01 3hja h GLU 258 Ca 0.03 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3hja h GLU 258 Cb 0.96 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 3hja h GLU 258 CO 0.09 0.46 -0.11 0.82 -0.73 0.00 0.00 179.01 179.53 3hja h ILE 259 N 0.15 0.68 -1.00 2.32 2.04 -1.13 -2.01 117.51 118.56 3hja h ILE 259 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3hja h ILE 259 Cb 0.28 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 3hja h ILE 259 CO 0.00 0.00 0.66 0.78 0.00 0.00 0.00 178.15 179.59 3hja h ASN 260 N -0.14 1.14 -0.34 1.72 2.35 -1.16 -1.99 115.58 117.16 3hja h ASN 260 Ca 0.08 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3hja h ASN 260 Cb 0.26 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3hja h ASN 260 CO -0.20 0.82 0.10 -1.28 -1.65 0.00 0.00 177.43 175.23 3hja h SER 261 N 1.35 0.49 -0.12 5.81 0.87 -0.62 0.20 113.55 121.54 3hja h SER 261 Ca 0.37 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3hja h SER 261 Cb -0.14 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3hja h SER 261 CO -0.08 0.57 -0.10 -0.37 -0.53 0.00 0.00 176.83 176.32 3hja h VAL 262 N 0.39 1.21 -0.12 2.23 -1.51 -1.16 -0.68 116.25 116.62 3hja h VAL 262 Ca 0.11 -0.91 -0.09 0.00 -1.23 0.00 0.00 66.70 64.58 3hja h VAL 262 Cb 0.26 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3hja h VAL 262 CO -0.00 0.30 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.29 3hja h LEU 263 N 0.41 0.45 -0.32 4.19 3.38 -1.05 0.05 115.31 122.42 3hja h LEU 263 Ca 0.08 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.52 3hja h LEU 263 Cb 0.43 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3hja h LEU 263 CO 0.02 0.94 0.09 -0.09 0.09 0.00 0.00 178.44 179.48 3hja h ARG 264 N -0.02 0.21 -0.64 1.13 2.43 -0.52 -2.01 114.38 114.95 3hja h ARG 264 Ca 0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3hja h ARG 264 Cb 0.87 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3hja h ARG 264 CO 0.06 0.14 0.19 0.87 -1.51 0.00 0.00 179.97 179.72 3hja h LYS 265 N 0.21 1.00 -0.50 0.20 1.57 -1.03 -2.63 116.57 115.40 3hja h LYS 265 Ca 0.15 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3hja h LYS 265 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3hja h LYS 265 CO -0.18 0.89 0.20 0.00 -0.57 0.00 0.00 179.45 179.80 3hja h ALA 266 N 1.07 1.41 0.00 3.86 0.00 -0.77 -2.07 119.26 122.77 3hja h ALA 266 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hja h ALA 266 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hja h ALA 266 CO -0.00 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 3hja n SER 267 N -4.35 0.09 -0.15 0.00 3.41 -0.77 -2.05 113.62 109.80 3hja n SER 267 Ca 0.04 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 3hja n SER 267 Cb 0.15 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 3hja n SER 267 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hja n GLU 268 N -1.61 1.25 -1.97 4.33 1.02 -0.78 -3.69 120.64 119.19 3hja n GLU 268 Ca 0.02 -0.31 -0.32 0.00 -0.02 0.00 0.00 57.16 56.53 3hja n GLU 268 Cb 0.10 -1.35 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 3hja n GLU 268 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hja s THR 269 N -2.50 3.83 0.47 2.62 -4.23 -0.87 -4.75 115.64 110.21 3hja s THR 269 Ca 0.10 0.82 0.12 0.00 -1.18 0.00 0.00 61.69 61.55 3hja s THR 269 Cb 0.14 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.87 3hja s THR 269 CO 0.64 -0.55 2.11 -0.65 -0.54 0.00 0.00 174.62 175.63 3hja h PRO 270 N 0.26 0.24 -0.29 3.99 0.11 -1.94 0.12 132.00 134.48 3hja h PRO 270 Ca -0.46 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3hja h PRO 270 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hja h PRO 270 CO 0.57 0.16 -0.32 0.93 -0.21 0.00 0.00 178.00 179.13 3hja h GLU 271 N 0.25 0.63 0.00 1.05 3.07 -1.92 -3.36 114.58 114.29 3hja h GLU 271 Ca 0.07 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3hja h GLU 271 Cb -0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3hja h GLU 271 CO -0.01 0.87 -0.25 1.28 -1.40 0.00 0.00 179.01 179.50 3hja n LEU 272 N -4.07 0.20 -4.67 1.33 4.77 -1.05 -4.58 117.00 108.92 3hja n LEU 272 Ca -0.01 -0.48 -0.46 0.00 -0.03 0.00 0.00 56.01 55.03 3hja n LEU 272 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3hja n LEU 272 CO 0.44 0.05 1.26 1.17 -1.33 0.00 0.00 177.39 178.99 3hja n LYS 273 N -1.13 2.17 0.00 3.23 4.81 0.38 -0.62 118.16 127.00 3hja n LYS 273 Ca 0.01 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3hja n LYS 273 Cb 0.07 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.54 3hja n LYS 273 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hja n GLY 274 N 3.64 1.99 0.55 3.14 0.00 -1.26 -4.81 105.19 108.44 3hja n GLY 274 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 3hja n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hja n ILE 275 N -2.00 1.35 -3.56 -0.61 5.41 0.17 -4.15 119.36 115.97 3hja n ILE 275 Ca 0.00 0.25 -0.37 0.00 1.00 0.00 0.00 62.75 63.63 3hja n ILE 275 Cb 0.00 -1.97 -0.09 0.00 -0.71 0.00 0.00 39.64 36.87 3hja n ILE 275 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3hja s LEU 276 N -7.44 4.14 0.39 1.39 2.96 0.21 -0.72 118.68 119.61 3hja s LEU 276 Ca -0.15 0.27 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 3hja s LEU 276 Cb 0.02 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 3hja s LEU 276 CO 0.22 0.02 0.18 -0.83 -1.32 0.00 0.00 176.35 174.63 3hja s GLY 277 N 1.01 2.22 -0.11 7.98 0.00 0.30 -4.46 107.32 114.26 3hja s GLY 277 Ca 0.12 -2.02 -0.08 0.00 0.00 0.00 0.00 44.72 42.74 3hja s GLY 277 CO 0.05 -1.86 0.28 -0.47 0.00 0.00 0.00 173.10 171.10 3hja s TYR 278 N -2.54 -0.34 0.06 1.90 5.04 -1.26 -1.35 117.35 118.85 3hja s TYR 278 Ca 0.41 0.81 0.01 0.00 -2.44 0.00 0.00 57.07 55.86 3hja s TYR 278 Cb 0.02 0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.39 3hja s TYR 278 CO 0.23 -0.20 -0.05 -0.08 -1.34 0.00 0.00 175.55 174.11 3hja s THR 279 N 0.73 0.42 -0.07 4.34 -1.32 -0.42 -4.91 115.64 114.41 3hja s THR 279 Ca -0.05 -1.54 0.11 0.00 -1.21 0.00 0.00 61.69 59.00 3hja s THR 279 Cb -0.06 -1.16 0.17 0.00 -1.51 0.00 0.00 72.50 69.94 3hja s THR 279 CO -0.05 -0.74 1.06 -0.62 -2.21 0.00 0.00 174.62 172.07 3hja n GLU 280 N 0.61 1.56 -3.03 7.08 1.02 -1.26 -0.52 120.64 126.10 3hja n GLU 280 Ca -0.17 -2.02 -0.36 0.00 -0.02 0.00 0.00 57.16 54.59 3hja n GLU 280 Cb 0.59 -1.21 -0.06 0.00 -0.02 0.00 0.00 31.44 30.73 3hja n GLU 280 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hja s ASP 281 N -2.03 7.12 -1.36 1.62 1.01 -1.26 -4.77 116.67 117.00 3hja s ASP 281 Ca 0.18 1.51 -0.15 0.00 0.71 0.00 0.00 52.55 54.81 3hja s ASP 281 Cb 0.16 -2.46 0.07 0.00 1.01 0.00 0.00 42.92 41.71 3hja s ASP 281 CO 0.02 0.01 1.95 -0.81 0.21 0.00 0.00 175.17 176.55 3hja n PRO 282 N 0.70 3.10 -2.27 8.23 -0.04 -1.26 -4.89 135.00 138.57 3hja n PRO 282 Ca -0.01 -3.04 -0.26 0.00 -0.04 0.00 0.00 63.50 60.15 3hja n PRO 282 Cb 0.51 -3.31 0.09 0.00 -0.04 0.00 0.00 33.50 30.74 3hja n PRO 282 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3hja s ILE 283 N 3.17 2.25 0.30 0.52 -4.36 -1.26 -5.13 121.20 116.70 3hja s ILE 283 Ca 0.49 -0.32 0.03 0.00 -0.26 0.00 0.00 60.65 60.58 3hja s ILE 283 Cb 0.09 -2.93 -0.05 0.00 1.25 0.00 0.00 42.46 40.81 3hja s ILE 283 CO -0.01 0.00 0.08 0.68 0.24 0.00 0.00 174.94 175.93 3hja s VAL 284 N -3.27 0.84 0.30 8.37 -7.23 -1.26 -5.05 120.40 113.10 3hja s VAL 284 Ca 0.63 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3hja s VAL 284 Cb -0.09 -2.68 0.29 0.00 0.56 0.00 0.00 36.38 34.46 3hja s VAL 284 CO 0.45 0.00 1.88 0.77 -0.31 0.00 0.00 175.10 177.89 3hja h SER 285 N 2.20 0.90 -0.51 4.85 4.64 -1.96 0.69 113.55 124.36 3hja h SER 285 Ca -0.39 0.02 0.15 0.00 -0.47 0.00 0.00 61.79 61.10 3hja h SER 285 Cb 1.25 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3hja h SER 285 CO 0.64 0.53 0.39 0.28 -0.87 0.00 0.00 176.83 177.80 3hja h SER 286 N 1.00 0.00 1.03 4.97 0.02 -1.96 -1.31 113.55 117.29 3hja h SER 286 Ca 0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3hja h SER 286 Cb 0.36 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 3hja h SER 286 CO -0.20 0.00 -0.02 0.44 -1.14 0.00 0.00 176.83 175.92 3hja h ASP 287 N 0.00 0.00 -0.14 3.07 3.32 -1.26 -2.80 116.42 118.61 3hja h ASP 287 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3hja h ASP 287 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3hja h ASP 287 CO -0.00 0.02 0.00 2.30 -1.72 0.00 0.00 179.24 179.83 3hja n ILE 288 N -3.11 0.15 -1.68 0.35 -6.64 -0.50 -4.88 119.36 103.06 3hja n ILE 288 Ca 0.01 -0.50 -0.45 0.00 -1.77 0.00 0.00 62.75 60.03 3hja n ILE 288 Cb 0.32 1.05 -0.04 0.00 -1.44 0.00 0.00 39.64 39.53 3hja n ILE 288 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 3hja n LYS 289 N 1.05 2.42 -0.95 6.28 4.81 -1.06 -1.08 118.16 129.63 3hja n LYS 289 Ca 0.17 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 3hja n LYS 289 Cb 0.53 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.84 3hja n LYS 289 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hja n GLY 290 N 4.17 0.67 3.73 3.14 0.00 -1.26 -5.03 105.19 110.61 3hja n GLY 290 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hja n GLY 290 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hja s ASN 291 N -2.32 7.43 0.00 1.61 3.84 -0.24 -4.95 114.94 120.31 3hja s ASN 291 Ca 0.00 1.90 0.26 0.00 0.21 0.00 0.00 52.86 55.23 3hja s ASN 291 Cb 0.00 -2.59 0.87 0.00 -0.55 0.00 0.00 41.25 38.98 3hja s ASN 291 CO 0.00 -0.10 1.64 -1.54 -2.79 0.00 0.00 177.10 174.31 3hja n SER 292 N 2.58 1.78 -4.79 -4.21 3.41 -1.26 -3.11 113.62 108.02 3hja n SER 292 Ca 0.02 -1.61 -0.34 0.00 -0.26 0.00 0.00 58.87 56.69 3hja n SER 292 Cb 0.48 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3hja n SER 292 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hja s HIS 293 N -1.96 2.91 0.15 7.33 3.76 -1.26 -4.61 115.29 121.61 3hja s HIS 293 Ca 0.36 1.55 0.12 0.00 -0.15 0.00 0.00 55.06 56.94 3hja s HIS 293 Cb 0.20 -3.10 0.22 0.00 1.11 0.00 0.00 32.58 31.02 3hja s HIS 293 CO 0.32 -1.11 1.52 0.77 -0.85 0.00 0.00 174.74 175.39 3hja h SER 294 N 1.05 0.00 -2.08 1.40 0.02 -1.11 -3.39 113.55 109.43 3hja h SER 294 Ca -0.49 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.54 3hja h SER 294 Cb 1.23 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.57 3hja h SER 294 CO 0.58 0.66 -0.12 -0.55 -1.14 0.00 0.00 176.83 176.26 3hja s SER 295 N -6.67 -1.12 -0.29 3.07 0.15 -0.85 -3.49 113.70 104.50 3hja s SER 295 Ca 0.00 1.57 0.02 0.00 0.70 0.00 0.00 55.95 58.24 3hja s SER 295 Cb 0.11 2.23 0.08 0.00 -1.71 0.00 0.00 66.02 66.73 3hja s SER 295 CO 0.76 -0.22 0.02 -0.63 1.20 0.00 0.00 173.24 174.37 3hja s ILE 296 N 2.80 1.71 0.11 6.45 1.01 0.07 0.11 121.20 133.47 3hja s ILE 296 Ca -0.06 -1.73 -0.31 0.00 0.00 0.00 0.00 60.65 58.55 3hja s ILE 296 Cb -0.11 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 3hja s ILE 296 CO -0.19 -0.42 1.57 -0.69 0.00 0.00 0.00 174.94 175.21 3hja s VAL 297 N 1.23 2.95 -0.92 2.92 1.01 -0.46 -0.04 120.40 127.09 3hja s VAL 297 Ca 0.04 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 3hja s VAL 297 Cb -0.19 -3.36 0.11 0.00 0.00 0.00 0.00 36.38 32.94 3hja s VAL 297 CO -0.11 0.02 1.16 -0.62 0.00 0.00 0.00 175.10 175.55 3hja s ASP 298 N 1.69 6.57 0.43 3.32 -1.08 0.58 -1.29 116.67 126.88 3hja s ASP 298 Ca 0.70 -1.87 0.09 0.00 -0.52 0.00 0.00 52.55 50.96 3hja s ASP 298 Cb -0.40 -2.42 0.95 0.00 -1.46 0.00 0.00 42.92 39.58 3hja s ASP 298 CO 0.31 -1.16 2.07 1.23 0.52 0.00 0.00 175.17 178.14 3hja h GLY 299 N 10.82 0.41 2.00 2.66 0.00 -1.09 -1.30 103.07 116.57 3hja h GLY 299 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3hja h GLY 299 CO 1.16 0.16 -0.05 1.41 0.00 0.00 0.00 176.54 179.22 3hja h LEU 300 N 0.40 0.00 0.00 3.11 3.38 -1.86 -2.88 115.31 117.46 3hja h LEU 300 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hja h LEU 300 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hja h LEU 300 CO -0.02 0.05 -0.58 -0.33 0.09 0.00 0.00 178.44 177.65 3hja h GLU 301 N 0.00 0.00 -6.72 1.13 4.39 -1.62 -3.47 114.58 108.29 3hja h GLU 301 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3hja h GLU 301 Cb 0.13 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.85 3hja h GLU 301 CO 0.01 0.00 0.93 0.99 -1.16 0.00 0.00 179.01 179.78 3hja s THR 302 N -3.17 2.12 0.00 1.13 2.01 -1.09 -4.79 115.64 111.86 3hja s THR 302 Ca 0.06 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3hja s THR 302 Cb 0.13 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 3hja s THR 302 CO 0.71 0.01 -0.00 -0.32 -0.69 0.00 0.00 174.62 174.33 3hja s MET 303 N 0.34 0.02 -0.06 4.92 0.00 -0.31 -4.93 119.30 119.29 3hja s MET 303 Ca 0.68 -0.02 0.02 0.00 0.00 0.00 0.00 55.69 56.37 3hja s MET 303 Cb -0.48 -0.01 0.02 0.00 0.00 0.00 0.00 34.83 34.35 3hja s MET 303 CO 0.40 0.00 -0.09 0.08 0.00 0.00 0.00 175.02 175.41 3hja s VAL 304 N -0.03 0.87 0.00 10.11 1.01 -1.26 -0.10 120.40 130.99 3hja s VAL 304 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3hja s VAL 304 Cb -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3hja s VAL 304 CO -0.00 0.30 0.00 -0.11 0.00 0.00 0.00 175.10 175.29 3hja n LEU 305 N 3.91 0.00 -4.32 3.92 7.94 -0.21 -4.95 117.00 123.29 3hja n LEU 305 Ca -0.24 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.41 3hja n LEU 305 Cb 0.51 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.34 3hja n LEU 305 CO 0.25 0.00 -0.53 -1.61 -1.11 0.00 0.00 177.39 174.39 3hja s GLU 306 N 0.90 1.20 -1.16 1.96 0.41 -1.26 -4.89 118.70 115.86 3hja s GLU 306 Ca 0.00 -1.22 -0.04 0.00 -0.41 0.00 0.00 54.97 53.30 3hja s GLU 306 Cb 0.00 -1.52 0.00 0.00 -1.78 0.00 0.00 34.13 30.83 3hja s GLU 306 CO 0.00 0.36 0.49 -1.71 -0.49 0.00 0.00 175.26 173.91 3hja n ASN 307 N 1.01 -5.03 0.00 -0.19 5.15 -1.23 -2.03 115.26 112.95 3hja n ASN 307 Ca -0.19 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 3hja n ASN 307 Cb 0.53 -3.86 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 3hja n ASN 307 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hja n GLY 308 N -1.36 0.58 3.62 8.20 0.00 -1.08 -4.67 105.19 110.48 3hja n GLY 308 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3hja n GLY 308 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hja s PHE 309 N -2.33 3.11 0.07 1.61 5.36 -0.86 -0.07 117.98 124.87 3hja s PHE 309 Ca 0.00 1.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 3hja s PHE 309 Cb 0.00 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 38.95 3hja s PHE 309 CO 0.00 -0.80 -0.05 0.00 -1.46 0.00 0.00 175.22 172.91 3hja s ALA 310 N 3.60 0.71 -0.08 11.12 0.00 0.02 -1.04 121.76 136.09 3hja s ALA 310 Ca 0.42 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3hja s ALA 310 Cb -0.12 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3hja s ALA 310 CO 0.17 -0.26 -0.10 0.21 0.00 0.00 0.00 175.76 175.79 3hja s LYS 311 N -3.48 1.54 -0.03 0.00 2.20 0.85 -0.85 119.74 119.97 3hja s LYS 311 Ca 0.06 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.39 3hja s LYS 311 Cb 0.04 -1.41 -0.01 0.00 -1.51 0.00 0.00 37.83 34.94 3hja s LYS 311 CO -0.06 -0.09 -0.16 0.42 -0.36 0.00 0.00 175.35 175.10 3hja s ILE 312 N 1.08 1.33 -0.05 5.43 1.09 0.12 -1.16 121.20 129.05 3hja s ILE 312 Ca -0.07 -0.68 0.05 0.00 -1.10 0.00 0.00 60.65 58.86 3hja s ILE 312 Cb -0.14 -1.14 -0.02 0.00 -1.06 0.00 0.00 42.46 40.10 3hja s ILE 312 CO -0.01 0.38 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.25 3hja s LEU 313 N -0.06 2.38 -0.08 2.97 1.02 -1.26 -0.24 118.68 123.40 3hja s LEU 313 Ca -0.01 -0.36 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 3hja s LEU 313 Cb -0.10 -1.45 0.04 0.00 0.02 0.00 0.00 46.19 44.70 3hja s LEU 313 CO 0.01 0.31 0.17 -0.55 0.02 0.00 0.00 176.35 176.31 3hja s SER 314 N -0.51 -0.07 0.47 2.29 0.15 -0.32 -0.31 113.70 115.40 3hja s SER 314 Ca 0.07 0.36 -0.12 0.00 0.70 0.00 0.00 55.95 56.96 3hja s SER 314 Cb -0.11 0.25 -0.06 0.00 -1.71 0.00 0.00 66.02 64.39 3hja s SER 314 CO 0.01 -0.16 0.86 0.26 1.20 0.00 0.00 173.24 175.41 3hja s TRP 315 N 1.31 3.49 -0.27 3.44 0.52 0.94 -0.51 118.94 127.86 3hja s TRP 315 Ca -0.08 1.17 -0.23 0.00 0.02 0.00 0.00 56.10 56.98 3hja s TRP 315 Cb -0.11 -2.56 0.07 0.00 -1.15 0.00 0.00 33.47 29.72 3hja s TRP 315 CO -0.07 -0.26 0.72 1.52 0.02 0.00 0.00 176.95 178.88 3hja s TYR 316 N -2.56 -0.86 -0.63 -1.98 -0.85 -0.12 -0.75 117.35 109.60 3hja s TYR 316 Ca 0.53 1.98 -0.28 0.00 -0.52 0.00 0.00 57.07 58.78 3hja s TYR 316 Cb -0.10 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.62 3hja s TYR 316 CO 0.35 -0.42 1.33 0.34 -1.52 0.00 0.00 175.55 175.63 3hja s ASP 317 N 0.70 6.18 0.60 -0.18 -1.08 -1.26 -0.56 116.67 121.07 3hja s ASP 317 Ca -0.03 -0.03 0.31 0.00 -0.52 0.00 0.00 52.55 52.28 3hja s ASP 317 Cb -0.05 -2.55 1.77 0.00 -1.46 0.00 0.00 42.92 40.62 3hja s ASP 317 CO -0.04 -1.73 2.15 -0.55 0.52 0.00 0.00 175.17 175.51 3hja h ASN 318 N 10.47 0.00 0.00 -0.34 -1.07 -1.91 -1.79 115.58 120.95 3hja h ASN 318 Ca -0.27 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.96 3hja h ASN 318 Cb 1.07 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.30 3hja h ASN 318 CO 1.22 0.00 -0.85 -0.33 0.07 0.00 0.00 177.43 177.54 3hja h GLU 319 N 0.00 0.00 0.19 4.14 5.08 -1.97 -3.38 114.58 118.64 3hja h GLU 319 Ca 0.06 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.07 3hja h GLU 319 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3hja h GLU 319 CO -0.00 0.83 -1.72 0.35 -1.00 0.00 0.00 179.01 177.47 3hja h PHE 320 N -1.00 0.75 0.32 4.33 3.57 -1.75 -1.26 116.94 121.90 3hja h PHE 320 Ca -0.22 -0.54 -0.02 0.00 3.53 0.00 0.00 57.97 60.72 3hja h PHE 320 Cb 1.08 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3hja h PHE 320 CO 0.09 1.66 -0.15 0.78 -2.23 0.00 0.00 178.31 178.46 3hja h GLY 321 N 0.65 -0.45 0.54 2.40 0.00 -1.27 -1.85 103.07 103.08 3hja h GLY 321 Ca -0.33 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.24 3hja h GLY 321 CO 0.19 -0.16 0.27 -1.82 0.00 0.00 0.00 176.54 175.01 3hja h TYR 322 N -0.55 0.48 -0.25 5.60 3.20 -1.69 -1.74 116.97 122.02 3hja h TYR 322 Ca -0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3hja h TYR 322 Cb 0.40 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3hja h TYR 322 CO -0.02 0.18 -0.01 0.77 -1.64 0.00 0.00 178.16 177.43 3hja h SER 323 N 0.49 0.35 -0.42 -2.11 0.02 -1.18 -1.19 113.55 109.51 3hja h SER 323 Ca 0.28 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 3hja h SER 323 Cb 0.28 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3hja h SER 323 CO -0.24 0.42 -0.05 0.74 -1.14 0.00 0.00 176.83 176.56 3hja h THR 324 N 0.37 1.27 -0.73 -2.27 2.02 -0.51 -2.70 112.91 110.37 3hja h THR 324 Ca 0.08 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.18 3hja h THR 324 Cb 0.27 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3hja h THR 324 CO 0.01 0.38 0.46 0.03 0.37 0.00 0.00 175.52 176.77 3hja h ARG 325 N 0.60 0.88 -0.49 6.66 2.47 -0.88 -0.14 114.38 123.47 3hja h ARG 325 Ca 0.11 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.85 3hja h ARG 325 Cb 0.56 -0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.63 3hja h ARG 325 CO 0.03 0.58 0.17 0.28 0.56 0.00 0.00 179.97 181.59 3hja h VAL 326 N 0.90 0.83 -0.23 2.04 2.07 -1.09 0.34 116.25 121.12 3hja h VAL 326 Ca 0.29 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 3hja h VAL 326 Cb 0.01 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3hja h VAL 326 CO -0.11 0.06 -0.01 0.58 0.02 0.00 0.00 177.57 178.12 3hja h VAL 327 N 0.34 1.26 -0.64 2.57 2.07 -1.12 -0.31 116.25 120.42 3hja h VAL 327 Ca 0.23 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.98 3hja h VAL 327 Cb 0.25 1.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 3hja h VAL 327 CO -0.24 0.28 0.09 0.44 0.02 0.00 0.00 177.57 178.16 3hja h ASP 328 N 0.17 -0.10 -0.41 0.57 3.32 -0.67 -1.94 116.42 117.37 3hja h ASP 328 Ca 0.06 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3hja h ASP 328 Cb 0.42 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3hja h ASP 328 CO 0.01 -0.05 0.06 0.25 -1.72 0.00 0.00 179.24 177.79 3hja h LEU 329 N 0.21 0.65 -0.53 1.55 5.85 -0.00 -2.08 115.31 120.96 3hja h LEU 329 Ca 0.34 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3hja h LEU 329 Cb 0.55 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3hja h LEU 329 CO -0.48 0.75 0.21 0.00 -0.34 0.00 0.00 178.44 178.58 3hja h ALA 330 N 0.92 0.67 -0.28 1.25 0.00 -0.51 -0.81 119.26 120.51 3hja h ALA 330 Ca 0.12 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3hja h ALA 330 Cb 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hja h ALA 330 CO 0.01 -0.18 -0.18 1.96 0.00 0.00 0.00 179.25 180.86 3hja h GLN 331 N 0.40 0.49 -0.05 0.00 4.20 -1.21 -2.73 115.11 116.20 3hja h GLN 331 Ca 0.26 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 3hja h GLN 331 Cb 0.26 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3hja h GLN 331 CO -0.24 0.65 -0.51 0.87 -0.67 0.00 0.00 178.83 178.93 3hja h LYS 332 N 0.45 0.14 -0.11 1.46 1.57 -0.65 -3.22 116.57 116.21 3hja h LYS 332 Ca 0.08 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3hja h LYS 332 Cb 0.56 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3hja h LYS 332 CO 0.04 0.62 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.09 3hja h LEU 333 N 0.11 0.25 -1.47 2.94 3.38 -0.86 -3.49 115.31 116.18 3hja h LEU 333 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hja h LEU 333 Cb 0.95 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hja h LEU 333 CO 0.07 0.61 0.00 1.33 0.09 0.00 0.00 178.44 180.54