#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjw s ILE 12 N 0.00 5.32 0.27 8.89 -1.09 -1.26 -5.09 121.20 128.24 3hjw s ILE 12 Ca 0.00 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.56 3hjw s ILE 12 Cb 0.00 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3hjw s ILE 12 CO 0.00 0.35 0.50 -0.76 -1.23 0.00 0.00 174.94 173.79 3hjw s LEU 13 N 1.06 4.10 0.45 2.97 2.01 -1.26 -4.84 118.68 123.18 3hjw s LEU 13 Ca 0.07 0.54 0.25 0.00 0.01 0.00 0.00 54.13 55.00 3hjw s LEU 13 Cb -0.14 -3.35 1.26 0.00 0.01 0.00 0.00 46.19 43.97 3hjw s LEU 13 CO 0.04 -0.17 1.78 -0.65 1.01 0.00 0.00 176.35 178.37 3hjw h PRO 14 N 1.56 0.24 0.00 1.29 0.11 -1.99 -0.53 132.00 132.69 3hjw h PRO 14 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hjw h PRO 14 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hjw h PRO 14 CO 0.66 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.61 3hjw n ALA 15 N -2.57 2.22 1.00 -0.75 0.00 -1.26 -2.94 120.51 116.21 3hjw n ALA 15 Ca 0.26 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.76 3hjw n ALA 15 Cb 1.01 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 3hjw n ALA 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hjw n ASP 16 N -0.64 1.60 -4.60 0.00 8.00 -0.21 -4.80 116.55 115.91 3hjw n ASP 16 Ca 0.05 -1.30 -0.43 0.00 0.71 0.00 0.00 54.79 53.82 3hjw n ASP 16 Cb 0.02 0.69 -0.01 0.00 -0.02 0.00 0.00 41.12 41.80 3hjw n ASP 16 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3hjw n ILE 17 N -0.64 2.10 -2.40 0.53 -5.35 -1.15 -4.94 119.36 107.51 3hjw n ILE 17 Ca 0.07 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.64 3hjw n ILE 17 Cb 0.41 -1.07 -0.04 0.00 -1.74 0.00 0.00 39.64 37.20 3hjw n ILE 17 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3hjw s LYS 18 N -1.71 4.55 -0.12 6.28 1.02 -1.26 -5.05 119.74 123.46 3hjw s LYS 18 Ca 0.60 1.87 0.01 0.00 0.02 0.00 0.00 55.97 58.46 3hjw s LYS 18 Cb -0.64 -3.20 0.02 0.00 -0.52 0.00 0.00 37.83 33.49 3hjw s LYS 18 CO 0.59 0.05 -0.12 1.03 -0.92 0.00 0.00 175.35 175.98 3hjw s ARG 19 N -1.00 2.00 -0.16 1.68 0.52 -1.26 -5.08 118.95 115.65 3hjw s ARG 19 Ca 0.48 -0.45 -0.25 0.00 -0.52 0.00 0.00 55.73 54.99 3hjw s ARG 19 Cb -0.33 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 3hjw s ARG 19 CO 0.41 -0.18 0.82 -1.21 0.02 0.00 0.00 175.30 175.15 3hjw s GLU 20 N 1.37 4.31 -0.13 3.54 0.41 -1.26 -4.91 118.70 122.03 3hjw s GLU 20 Ca 0.01 1.00 -0.28 0.00 -0.41 0.00 0.00 54.97 55.29 3hjw s GLU 20 Cb -0.13 -3.56 -0.01 0.00 -1.78 0.00 0.00 34.13 28.64 3hjw s GLU 20 CO -0.07 -0.29 0.96 0.08 -0.49 0.00 0.00 175.26 175.45 3hjw s VAL 21 N 2.02 4.81 -0.02 2.63 1.01 -1.26 0.11 120.40 129.69 3hjw s VAL 21 Ca 0.38 1.92 0.01 0.00 0.00 0.00 0.00 61.98 64.29 3hjw s VAL 21 Cb -0.17 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3hjw s VAL 21 CO 0.13 0.00 -0.03 -0.76 0.00 0.00 0.00 175.10 174.44 3hjw s LEU 22 N 2.11 3.37 -0.23 3.92 1.43 0.23 -4.92 118.68 124.60 3hjw s LEU 22 Ca 0.45 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 3hjw s LEU 22 Cb -0.18 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 3hjw s LEU 22 CO 0.15 0.31 0.26 -0.63 0.23 0.00 0.00 176.35 176.67 3hjw s ILE 23 N -0.99 5.28 -0.16 -0.59 -1.09 -1.26 -1.24 121.20 121.15 3hjw s ILE 23 Ca 0.17 0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.85 3hjw s ILE 23 Cb -0.11 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 3hjw s ILE 23 CO 0.07 0.29 -0.22 1.17 -1.23 0.00 0.00 174.94 175.02 3hjw n LYS 24 N 4.53 0.48 -3.82 2.79 4.81 -0.05 -4.88 118.16 122.02 3hjw n LYS 24 Ca -0.12 0.42 -0.35 0.00 -0.87 0.00 0.00 58.31 57.39 3hjw n LYS 24 Cb 0.52 -1.61 -0.12 0.00 0.02 0.00 0.00 35.03 33.84 3hjw n LYS 24 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3hjw s ASP 25 N -5.88 5.16 0.57 3.14 -1.08 -0.41 -4.96 116.67 113.21 3hjw s ASP 25 Ca -0.21 -2.12 0.34 0.00 -0.52 0.00 0.00 52.55 50.05 3hjw s ASP 25 Cb 0.03 -1.79 1.72 0.00 -1.46 0.00 0.00 42.92 41.41 3hjw s ASP 25 CO 0.31 -0.50 2.14 -0.33 0.52 0.00 0.00 175.17 177.31 3hjw h GLU 26 N 7.89 0.00 0.00 4.34 3.07 -1.90 -2.92 114.58 125.07 3hjw h GLU 26 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3hjw h GLU 26 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3hjw h GLU 26 CO 0.67 0.05 -0.52 0.09 -1.40 0.00 0.00 179.01 177.90 3hjw n ASN 27 N -3.36 0.52 -4.69 1.42 3.02 -1.26 -4.91 115.26 106.00 3hjw n ASN 27 Ca -0.02 -0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 3hjw n ASN 27 Cb 0.20 0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 3hjw n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hjw s ALA 28 N -3.01 3.72 0.23 5.41 0.00 -1.10 -5.01 121.76 121.99 3hjw s ALA 28 Ca 0.11 1.32 0.12 0.00 0.00 0.00 0.00 51.96 53.50 3hjw s ALA 28 Cb 0.17 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3hjw s ALA 28 CO 0.71 -1.18 -0.22 -1.21 0.00 0.00 0.00 175.76 173.86 3hjw s GLU 29 N 2.76 1.60 -0.08 0.00 2.02 -1.26 -5.13 118.70 118.62 3hjw s GLU 29 Ca 0.78 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3hjw s GLU 29 Cb -0.43 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 3hjw s GLU 29 CO 0.34 0.37 -0.08 -0.08 0.02 0.00 0.00 175.26 175.84 3hjw s THR 30 N -2.00 3.63 -0.40 3.63 -1.32 -1.26 -4.67 115.64 113.25 3hjw s THR 30 Ca 0.24 -0.50 -0.28 0.00 -1.21 0.00 0.00 61.69 59.94 3hjw s THR 30 Cb -0.07 -2.49 0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3hjw s THR 30 CO 0.12 0.58 1.08 0.21 -2.21 0.00 0.00 174.62 174.40 3hjw s ASN 31 N -0.59 6.76 0.56 8.08 3.04 -1.26 -4.93 114.94 126.60 3hjw s ASN 31 Ca 0.09 0.71 0.36 0.00 0.04 0.00 0.00 52.86 54.06 3hjw s ASN 31 Cb -0.12 -2.53 1.95 0.00 -1.54 0.00 0.00 41.25 39.01 3hjw s ASN 31 CO 0.02 -1.04 2.09 1.55 -3.04 0.00 0.00 177.10 176.68 3hjw h PRO 32 N 8.65 0.00 0.00 0.43 0.13 -1.98 0.25 132.00 139.48 3hjw h PRO 32 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3hjw h PRO 32 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hjw h PRO 32 CO 1.07 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.40 3hjw h ASP 33 N 0.00 0.00 -2.94 1.44 3.32 -2.01 -3.45 116.42 112.78 3hjw h ASP 33 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3hjw h ASP 33 Cb 0.10 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.55 3hjw h ASP 33 CO 0.00 0.00 -0.53 0.26 -1.72 0.00 0.00 179.24 177.25 3hjw s TRP 34 N -3.33 3.43 0.13 4.55 0.51 0.07 -5.01 118.94 119.29 3hjw s TRP 34 Ca 0.06 0.37 0.00 0.00 -2.12 0.00 0.00 56.10 54.41 3hjw s TRP 34 Cb 0.08 -1.93 0.00 0.00 -0.81 0.00 0.00 33.47 30.81 3hjw s TRP 34 CO 0.58 0.57 0.00 0.41 -0.51 0.00 0.00 176.95 178.00 3hjw n GLY 35 N 2.31 -1.80 2.64 0.98 0.00 -0.73 -4.86 105.19 103.74 3hjw n GLY 35 Ca -0.19 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 3hjw n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hjw s PHE 36 N -1.86 1.52 0.51 1.61 0.40 -1.26 -5.09 117.98 113.80 3hjw s PHE 36 Ca 0.00 -1.99 -0.22 0.00 -0.60 0.00 0.00 56.93 54.12 3hjw s PHE 36 Cb 0.00 -1.55 -0.07 0.00 0.51 0.00 0.00 43.02 41.90 3hjw s PHE 36 CO 0.00 -0.82 1.12 -0.35 0.70 0.00 0.00 175.22 175.87 3hjw n PRO 37 N 4.05 1.39 -0.22 0.24 -0.04 -1.26 -4.77 135.00 134.39 3hjw n PRO 37 Ca 0.06 0.51 -0.06 0.00 -0.04 0.00 0.00 63.50 63.98 3hjw n PRO 37 Cb 0.37 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.51 3hjw n PRO 37 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3hjw n PRO 38 N -0.51 -0.23 -2.63 0.54 -0.02 -1.26 -2.51 135.00 128.38 3hjw n PRO 38 Ca 0.10 1.21 -0.43 0.00 -2.02 0.00 0.00 63.50 62.36 3hjw n PRO 38 Cb 0.43 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3hjw n PRO 38 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hjw n GLU 39 N -4.19 3.38 0.00 -0.52 -0.58 -1.26 -2.22 120.64 115.26 3hjw n GLU 39 Ca 0.01 -3.59 0.00 0.00 -0.42 0.00 0.00 57.16 53.17 3hjw n GLU 39 Cb 0.14 -3.09 0.00 0.00 -0.57 0.00 0.00 31.44 27.92 3hjw n GLU 39 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3hjw n LYS 40 N 5.51 0.00 -2.15 3.49 4.81 -1.04 -5.12 118.16 123.65 3hjw n LYS 40 Ca 0.41 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.42 3hjw n LYS 40 Cb 0.41 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.43 3hjw n LYS 40 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3hjw s ARG 41 N 0.00 4.25 0.58 1.64 0.52 -0.94 -4.94 118.95 120.05 3hjw s ARG 41 Ca 0.00 2.04 -0.19 0.00 -0.52 0.00 0.00 55.73 57.06 3hjw s ARG 41 Cb 0.00 -3.67 -0.06 0.00 0.52 0.00 0.00 34.95 31.74 3hjw s ARG 41 CO 0.00 -0.66 0.94 -0.35 0.02 0.00 0.00 175.30 175.24 3hjw n PRO 42 N 5.84 0.93 -0.30 3.54 -0.04 -1.26 -4.57 135.00 139.14 3hjw n PRO 42 Ca 0.14 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 3hjw n PRO 42 Cb 0.43 -2.12 0.29 0.00 -0.04 0.00 0.00 33.50 32.06 3hjw n PRO 42 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hjw h ILE 43 N 0.61 0.46 -0.41 0.52 6.09 -1.98 0.08 117.51 122.87 3hjw h ILE 43 Ca -0.48 -0.12 -0.05 0.00 -1.37 0.00 0.00 64.86 62.84 3hjw h ILE 43 Cb 1.36 0.07 -0.02 0.00 0.47 0.00 0.00 36.82 38.70 3hjw h ILE 43 CO 0.51 0.07 0.04 -0.33 -3.07 0.00 0.00 178.15 175.37 3hjw h GLU 44 N 0.36 0.64 0.00 2.19 3.07 -2.00 -1.01 114.58 117.84 3hjw h GLU 44 Ca 0.54 -0.14 -0.23 0.00 -0.50 0.00 0.00 59.36 59.04 3hjw h GLU 44 Cb 1.03 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3hjw h GLU 44 CO -0.54 0.64 -0.94 1.98 -1.40 0.00 0.00 179.01 178.74 3hjw h MET 45 N 0.62 0.40 -0.15 2.33 4.05 -1.43 -2.47 114.93 118.27 3hjw h MET 45 Ca 0.13 -0.43 0.04 0.00 -0.28 0.00 0.00 59.70 59.16 3hjw h MET 45 Cb 0.33 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 3hjw h MET 45 CO 0.01 1.10 -0.08 1.25 0.23 0.00 0.00 176.91 179.42 3hjw h HIS 46 N 0.22 -0.18 -0.14 1.39 6.17 -0.47 -1.99 115.15 120.15 3hjw h HIS 46 Ca -0.08 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.04 3hjw h HIS 46 Cb 1.58 0.10 -0.02 0.00 2.52 0.00 0.00 27.41 31.59 3hjw h HIS 46 CO 0.06 -0.12 -0.00 0.82 0.71 0.00 0.00 177.93 179.40 3hjw h ILE 47 N -0.06 0.90 -1.04 6.26 2.04 -1.22 -2.25 117.51 122.13 3hjw h ILE 47 Ca 0.08 -0.02 0.27 0.00 1.00 0.00 0.00 64.86 66.20 3hjw h ILE 47 Cb 0.19 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 3hjw h ILE 47 CO -0.19 0.01 0.69 1.56 0.00 0.00 0.00 178.15 180.22 3hjw h GLN 48 N 0.04 0.29 -0.75 2.37 1.08 -0.99 -1.41 115.11 115.75 3hjw h GLN 48 Ca 0.06 -0.02 -0.54 0.00 -1.45 0.00 0.00 58.65 56.71 3hjw h GLN 48 Cb 0.08 -0.06 -0.40 0.00 -0.05 0.00 0.00 27.48 27.04 3hjw h GLN 48 CO -0.11 0.19 -0.64 1.19 -0.95 0.00 0.00 178.83 178.50 3hjw n PHE 49 N -4.51 2.69 -4.24 2.96 3.72 -0.79 -1.50 117.46 115.79 3hjw n PHE 49 Ca 0.24 -2.27 -0.23 0.00 -0.05 0.00 0.00 57.45 55.14 3hjw n PHE 49 Cb 0.93 -0.44 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 3hjw n PHE 49 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hjw s GLY 50 N -3.41 1.80 -0.02 1.37 0.00 -0.53 -0.77 107.32 105.76 3hjw s GLY 50 Ca 0.52 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.50 3hjw s GLY 50 CO 0.03 -1.76 -0.01 0.14 0.00 0.00 0.00 173.10 171.50 3hjw s VAL 51 N -2.38 0.18 -0.22 1.40 1.01 0.12 -0.74 120.40 119.77 3hjw s VAL 51 Ca 0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 3hjw s VAL 51 Cb -0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 3hjw s VAL 51 CO 0.21 0.10 0.19 -0.63 0.00 0.00 0.00 175.10 174.96 3hjw s ILE 52 N 0.49 5.35 -1.19 2.22 1.01 0.19 -0.07 121.20 129.21 3hjw s ILE 52 Ca -0.05 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.71 3hjw s ILE 52 Cb -0.08 -3.53 0.13 0.00 0.01 0.00 0.00 42.46 39.00 3hjw s ILE 52 CO -0.01 0.37 1.48 0.21 0.00 0.00 0.00 174.94 176.99 3hjw s ASN 53 N 0.80 6.93 0.10 3.58 3.04 -1.26 -0.77 114.94 127.36 3hjw s ASN 53 Ca 0.10 -2.66 -0.27 0.00 0.04 0.00 0.00 52.86 50.07 3hjw s ASN 53 Cb -0.13 -2.46 -0.06 0.00 -1.54 0.00 0.00 41.25 37.06 3hjw s ASN 53 CO 0.03 -0.94 0.85 -0.22 -3.04 0.00 0.00 177.10 173.78 3hjw s LEU 54 N 2.62 4.51 -0.78 3.21 2.96 -0.90 -0.62 118.68 129.68 3hjw s LEU 54 Ca 0.45 1.64 -0.20 0.00 -0.22 0.00 0.00 54.13 55.80 3hjw s LEU 54 Cb -0.01 -3.39 0.11 0.00 0.50 0.00 0.00 46.19 43.40 3hjw s LEU 54 CO 0.01 0.03 0.98 -0.62 -1.32 0.00 0.00 176.35 175.43 3hjw s ASP 55 N -0.32 6.42 0.15 3.68 -1.08 0.63 -0.07 116.67 126.07 3hjw s ASP 55 Ca 0.41 -1.65 -0.31 0.00 -0.52 0.00 0.00 52.55 50.47 3hjw s ASP 55 Cb -0.22 -2.38 -0.10 0.00 -1.46 0.00 0.00 42.92 38.76 3hjw s ASP 55 CO 0.27 -1.16 1.63 -0.75 0.52 0.00 0.00 175.17 175.67 3hjw s LYS 56 N 2.95 4.19 0.55 4.34 2.20 0.22 -4.41 119.74 129.78 3hjw s LYS 56 Ca 0.25 2.41 -0.15 0.00 -0.36 0.00 0.00 55.97 58.12 3hjw s LYS 56 Cb -0.12 -3.25 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 3hjw s LYS 56 CO -0.01 -0.67 1.01 -1.25 -0.36 0.00 0.00 175.35 174.07 3hjw s PRO 57 N 1.52 3.73 0.53 4.03 0.04 -1.26 -1.48 135.00 142.11 3hjw s PRO 57 Ca 0.72 0.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 3hjw s PRO 57 Cb -0.44 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 3hjw s PRO 57 CO 0.32 -0.45 1.14 -1.25 0.04 0.00 0.00 177.00 176.80 3hjw s PRO 58 N -4.28 3.39 0.00 0.56 0.04 -1.26 -4.50 135.00 128.95 3hjw s PRO 58 Ca 0.59 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3hjw s PRO 58 Cb -0.11 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3hjw s PRO 58 CO 0.37 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3hjw n GLY 59 N 0.23 1.68 3.74 0.56 0.00 0.18 -4.98 105.19 106.60 3hjw n GLY 59 Ca 0.11 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3hjw n GLY 59 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hjw s PRO 60 N 0.00 1.90 0.77 1.61 0.04 -1.26 -4.57 135.00 133.49 3hjw s PRO 60 Ca 0.00 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 3hjw s PRO 60 Cb 0.00 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.74 3hjw s PRO 60 CO 0.00 -1.89 1.08 0.95 0.04 0.00 0.00 177.00 177.18 3hjw s THR 61 N -2.87 3.36 0.36 1.26 -4.23 -1.26 -4.23 115.64 108.03 3hjw s THR 61 Ca 0.62 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.62 3hjw s THR 61 Cb -0.18 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.80 3hjw s THR 61 CO 0.57 -0.58 2.00 0.28 -0.54 0.00 0.00 174.62 176.34 3hjw h SER 62 N -1.02 0.68 -0.36 3.99 0.02 -1.87 -2.54 113.55 112.45 3hjw h SER 62 Ca -0.46 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.34 3hjw h SER 62 Cb 1.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3hjw h SER 62 CO 0.57 0.47 -0.33 0.45 -1.14 0.00 0.00 176.83 176.85 3hjw h HIS 63 N 0.79 1.05 -0.19 3.45 3.86 -1.92 -2.69 115.15 119.49 3hjw h HIS 63 Ca 0.26 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3hjw h HIS 63 Cb 0.05 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 3hjw h HIS 63 CO -0.00 1.09 0.11 0.93 0.86 0.00 0.00 177.93 180.92 3hjw h GLU 64 N 0.74 0.26 -0.80 2.45 5.08 -1.90 -1.51 114.58 118.91 3hjw h GLU 64 Ca 0.08 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3hjw h GLU 64 Cb 0.90 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 3hjw h GLU 64 CO 0.08 0.22 0.44 0.28 -1.00 0.00 0.00 179.01 179.03 3hjw h VAL 65 N 0.22 0.86 -0.33 3.13 2.07 -1.35 0.84 116.25 121.68 3hjw h VAL 65 Ca 0.07 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 3hjw h VAL 65 Cb 0.03 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3hjw h VAL 65 CO -0.01 0.13 -0.43 0.58 0.02 0.00 0.00 177.57 177.86 3hjw h VAL 66 N 0.71 1.28 -0.94 2.57 2.07 -1.34 -1.25 116.25 119.36 3hjw h VAL 66 Ca 0.40 -1.61 0.08 0.00 0.82 0.00 0.00 66.70 66.39 3hjw h VAL 66 Cb 0.42 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 3hjw h VAL 66 CO -0.27 0.53 0.60 0.00 0.02 0.00 0.00 177.57 178.45 3hjw h ALA 67 N 0.83 1.52 -0.30 1.67 0.00 -0.25 0.99 119.26 123.72 3hjw h ALA 67 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hjw h ALA 67 Cb 1.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3hjw h ALA 67 CO 0.10 0.31 -0.02 -1.49 0.00 0.00 0.00 179.25 178.15 3hjw h TRP 68 N 1.02 0.59 -0.23 0.00 6.55 -0.66 -2.74 115.95 120.48 3hjw h TRP 68 Ca 0.42 -0.11 0.03 0.00 0.95 0.00 0.00 58.89 60.17 3hjw h TRP 68 Cb 0.28 -0.15 -0.03 0.00 -0.86 0.00 0.00 29.16 28.40 3hjw h TRP 68 CO -0.00 0.69 0.05 0.82 -1.05 0.00 0.00 178.44 178.96 3hjw h ILE 69 N 0.32 0.91 -0.57 1.49 2.04 -0.42 -1.01 117.51 120.28 3hjw h ILE 69 Ca 0.08 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3hjw h ILE 69 Cb 0.47 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3hjw h ILE 69 CO 0.02 0.03 0.26 0.11 0.00 0.00 0.00 178.15 178.57 3hjw h LYS 70 N 0.15 0.48 -0.18 2.37 1.57 -0.86 -0.22 116.57 119.88 3hjw h LYS 70 Ca 0.10 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 3hjw h LYS 70 Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3hjw h LYS 70 CO -0.13 0.31 -0.49 1.57 -0.57 0.00 0.00 179.45 180.15 3hjw h LYS 71 N 0.49 0.64 -0.23 3.15 5.09 -1.22 0.56 116.57 125.05 3hjw h LYS 71 Ca 0.27 -0.46 -0.16 0.00 0.09 0.00 0.00 60.65 60.39 3hjw h LYS 71 Cb 0.24 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.63 3hjw h LYS 71 CO -0.22 1.08 -0.50 0.82 -2.09 0.00 0.00 179.45 178.54 3hjw h ILE 72 N 0.32 1.30 -0.03 0.07 2.04 -1.06 -3.11 117.51 117.05 3hjw h ILE 72 Ca -0.01 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.14 3hjw h ILE 72 Cb 1.11 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3hjw h ILE 72 CO 0.11 0.54 0.00 0.18 0.00 0.00 0.00 178.15 178.98 3hjw n LEU 73 N -3.99 1.77 -3.45 1.44 4.77 -0.11 -4.96 117.00 112.47 3hjw n LEU 73 Ca -0.03 -0.60 -0.21 0.00 -0.03 0.00 0.00 56.01 55.14 3hjw n LEU 73 Cb 0.58 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.70 3hjw n LEU 73 CO 0.47 0.30 0.02 0.59 -1.33 0.00 0.00 177.39 177.44 3hjw n ASN 74 N 0.38 -6.13 -4.51 -1.43 3.02 -0.52 -5.02 115.26 101.05 3hjw n ASN 74 Ca 0.18 -0.76 -0.32 0.00 -0.03 0.00 0.00 54.58 53.65 3hjw n ASN 74 Cb 0.39 -4.13 -0.12 0.00 -0.61 0.00 0.00 39.78 35.32 3hjw n ASN 74 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hjw s LEU 75 N -5.60 2.86 0.14 3.41 1.43 0.07 -5.02 118.68 115.97 3hjw s LEU 75 Ca 0.35 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3hjw s LEU 75 Cb -0.10 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 3hjw s LEU 75 CO 0.81 0.31 1.35 -0.33 0.23 0.00 0.00 176.35 178.72 3hjw h GLU 76 N 4.95 0.50 -3.21 1.70 5.08 -1.95 -3.44 114.58 118.21 3hjw h GLU 76 Ca -0.47 -0.46 -0.14 0.00 -1.00 0.00 0.00 59.36 57.28 3hjw h GLU 76 Cb 1.16 0.11 -0.23 0.00 0.50 0.00 0.00 28.75 30.29 3hjw h GLU 76 CO 0.51 1.10 -0.40 0.21 -1.00 0.00 0.00 179.01 179.43 3hjw s LYS 77 N -3.50 0.46 -0.23 2.33 2.20 -1.26 -5.06 119.74 114.68 3hjw s LYS 77 Ca -0.07 -0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.27 3hjw s LYS 77 Cb 0.09 0.20 0.07 0.00 -1.51 0.00 0.00 37.83 36.68 3hjw s LYS 77 CO 0.87 -0.10 0.69 0.00 -0.36 0.00 0.00 175.35 176.45 3hjw s ALA 78 N -0.72 -1.72 -0.01 3.13 0.00 -1.26 -0.05 121.76 121.13 3hjw s ALA 78 Ca -0.08 1.85 0.04 0.00 0.00 0.00 0.00 51.96 53.77 3hjw s ALA 78 Cb -0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3hjw s ALA 78 CO 0.02 -0.33 -0.13 0.20 0.00 0.00 0.00 175.76 175.51 3hjw s GLY 79 N 0.11 0.65 0.24 0.00 0.00 -0.25 -4.97 107.32 103.11 3hjw s GLY 79 Ca -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3hjw s GLY 79 CO 0.02 -0.48 0.40 -2.38 0.00 0.00 0.00 173.10 170.66 3hjw s HIS 80 N -0.31 3.47 0.00 1.90 -3.43 -1.26 -0.90 115.29 114.76 3hjw s HIS 80 Ca 0.05 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 3hjw s HIS 80 Cb -0.05 -1.70 0.00 0.00 -1.43 0.00 0.00 32.58 29.39 3hjw s HIS 80 CO -0.01 0.37 0.00 0.41 -2.00 0.00 0.00 174.74 173.52 3hjw n GLY 81 N -1.24 -1.28 3.63 -1.38 0.00 -0.61 -4.88 105.19 99.42 3hjw n GLY 81 Ca -0.07 -1.33 -0.57 0.00 0.00 0.00 0.00 46.02 44.05 3hjw n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjw n GLY 82 N 2.75 0.37 3.68 -0.02 0.00 -1.26 -4.83 105.19 105.89 3hjw n GLY 82 Ca 0.00 0.82 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 3hjw n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hjw s THR 83 N 1.59 2.95 0.09 2.61 2.01 -1.26 -4.95 115.64 118.68 3hjw s THR 83 Ca 0.93 0.35 -0.16 0.00 0.31 0.00 0.00 61.69 63.11 3hjw s THR 83 Cb -1.13 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.09 3hjw s THR 83 CO 0.59 -0.01 0.53 -0.76 -0.69 0.00 0.00 174.62 174.29 3hjw s LEU 84 N 2.95 4.44 0.82 4.42 1.43 -1.26 -5.06 118.68 126.42 3hjw s LEU 84 Ca 0.77 1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 54.88 3hjw s LEU 84 Cb -0.41 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 42.89 3hjw s LEU 84 CO 0.34 0.21 1.19 -1.81 0.23 0.00 0.00 176.35 176.51 3hjw s ASP 85 N -1.37 3.56 0.26 2.29 -0.00 -1.26 -3.63 116.67 116.52 3hjw s ASP 85 Ca 0.32 2.31 -0.03 0.00 -0.00 0.00 0.00 52.55 55.15 3hjw s ASP 85 Cb -0.17 -2.58 0.53 0.00 -0.00 0.00 0.00 42.92 40.70 3hjw s ASP 85 CO 0.18 -2.68 1.69 -0.65 -0.00 0.00 0.00 175.17 173.71 3hjw h PRO 86 N -1.03 0.30 -0.00 8.23 0.11 -1.84 -1.79 132.00 135.99 3hjw h PRO 86 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hjw h PRO 86 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hjw h PRO 86 CO 0.46 0.20 -0.10 1.63 -0.21 0.00 0.00 178.00 179.97 3hjw n LYS 87 N -5.12 0.21 -3.42 1.05 5.02 -1.26 0.49 118.16 115.13 3hjw n LYS 87 Ca 0.16 -0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 56.03 3hjw n LYS 87 Cb 0.51 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 3hjw n LYS 87 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hjw s VAL 88 N -2.82 5.09 0.45 -0.18 1.01 -0.68 -4.67 120.40 118.61 3hjw s VAL 88 Ca 0.19 0.87 0.08 0.00 0.00 0.00 0.00 61.98 63.12 3hjw s VAL 88 Cb 0.19 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3hjw s VAL 88 CO 0.53 0.47 0.48 -0.94 0.00 0.00 0.00 175.10 175.64 3hjw s SER 89 N -0.32 5.16 0.00 3.32 1.04 -1.19 -4.37 113.70 117.34 3hjw s SER 89 Ca 0.24 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3hjw s SER 89 Cb -0.16 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.57 3hjw s SER 89 CO 0.12 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3hjw n GLY 90 N -1.73 -0.02 3.59 7.32 0.00 -0.55 -1.16 105.19 112.65 3hjw n GLY 90 Ca 0.05 -2.23 -0.45 0.00 0.00 0.00 0.00 46.02 43.39 3hjw n GLY 90 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hjw n VAL 91 N 0.00 0.41 -3.74 1.61 0.31 -0.43 -0.61 118.33 115.87 3hjw n VAL 91 Ca 0.00 -0.32 -0.30 0.00 -0.01 0.00 0.00 64.34 63.71 3hjw n VAL 91 Cb 0.00 -2.23 -0.15 0.00 -0.91 0.00 0.00 33.84 30.56 3hjw n VAL 91 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3hjw s LEU 92 N 6.93 2.43 0.18 7.52 2.96 0.90 -4.84 118.68 134.75 3hjw s LEU 92 Ca 1.00 -1.79 -0.31 0.00 -0.22 0.00 0.00 54.13 52.81 3hjw s LEU 92 Cb -0.52 -0.93 -0.09 0.00 0.50 0.00 0.00 46.19 45.15 3hjw s LEU 92 CO 0.42 -0.40 1.43 -2.84 -1.32 0.00 0.00 176.35 173.64 3hjw s PRO 93 N 1.42 4.30 -0.25 0.98 0.02 -1.26 -2.11 135.00 138.09 3hjw s PRO 93 Ca 0.11 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.34 3hjw s PRO 93 Cb -0.18 -3.18 0.06 0.00 0.02 0.00 0.00 34.50 31.21 3hjw s PRO 93 CO -0.21 -0.43 -0.09 0.08 -0.33 0.00 0.00 177.00 176.02 3hjw s VAL 94 N 0.64 1.93 -0.02 3.83 1.01 0.05 -1.58 120.40 126.26 3hjw s VAL 94 Ca 0.63 -1.47 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 3hjw s VAL 94 Cb -0.40 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3hjw s VAL 94 CO 0.35 -0.04 0.48 0.00 0.00 0.00 0.00 175.10 175.89 3hjw s ALA 95 N 1.21 3.58 -0.08 5.51 0.00 -0.07 0.55 121.76 132.46 3hjw s ALA 95 Ca -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 3hjw s ALA 95 Cb -0.19 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 3hjw s ALA 95 CO -0.06 0.28 -0.06 -0.51 0.00 0.00 0.00 175.76 175.42 3hjw s LEU 96 N -0.47 3.20 0.00 0.00 1.43 0.08 -1.09 118.68 121.83 3hjw s LEU 96 Ca 0.26 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3hjw s LEU 96 Cb -0.17 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3hjw s LEU 96 CO 0.14 0.33 0.00 -0.62 0.23 0.00 0.00 176.35 176.43 3hjw n GLU 97 N 2.44 0.00 0.01 1.70 -0.58 0.92 -0.34 120.64 124.79 3hjw n GLU 97 Ca -0.18 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.64 3hjw n GLU 97 Cb 0.53 0.00 0.34 0.00 -0.57 0.00 0.00 31.44 31.74 3hjw n GLU 97 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hjw n LYS 98 N 12.44 0.02 0.00 3.49 5.02 -0.56 -1.68 118.16 136.89 3hjw n LYS 98 Ca 0.00 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 3hjw n LYS 98 Cb 0.00 -1.54 0.41 0.00 -0.02 0.00 0.00 35.03 33.89 3hjw n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hjw n ALA 99 N -1.53 2.58 -0.23 7.82 0.00 0.54 -4.58 120.51 125.10 3hjw n ALA 99 Ca 0.04 -0.50 0.10 0.00 0.00 0.00 0.00 53.44 53.07 3hjw n ALA 99 Cb 0.18 -1.08 0.37 0.00 0.00 0.00 0.00 19.45 18.93 3hjw n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hjw h THR 100 N 2.86 0.91 0.00 0.00 2.02 -1.34 -1.90 112.91 115.45 3hjw h THR 100 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3hjw h THR 100 Cb 0.62 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3hjw h THR 100 CO 0.00 0.13 0.00 0.54 0.37 0.00 0.00 175.52 176.56 3hjw n ARG 101 N -4.52 0.19 0.26 6.66 1.74 -1.26 -2.80 116.66 116.93 3hjw n ARG 101 Ca 0.15 0.33 0.18 0.00 -0.77 0.00 0.00 57.85 57.73 3hjw n ARG 101 Cb 0.38 -1.80 0.91 0.00 -1.02 0.00 0.00 32.46 30.92 3hjw n ARG 101 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3hjw h VAL 102 N 0.00 0.00 -0.47 1.55 -1.51 -1.69 -2.73 116.25 111.41 3hjw h VAL 102 Ca 0.00 -0.09 0.13 0.00 -1.23 0.00 0.00 66.70 65.52 3hjw h VAL 102 Cb 0.46 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 3hjw h VAL 102 CO 0.00 0.00 0.49 -0.37 -1.23 0.00 0.00 177.57 176.46 3hjw h VAL 103 N 0.00 0.37 0.00 7.19 -1.51 -1.73 0.12 116.25 120.69 3hjw h VAL 103 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3hjw h VAL 103 Cb 0.10 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 29.87 3hjw h VAL 103 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 177.57 176.40 3hjw h GLN 104 N 0.00 0.00 0.00 5.19 3.07 -1.76 0.34 115.11 121.95 3hjw h GLN 104 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 3hjw h GLN 104 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 3hjw h GLN 104 CO -0.00 0.00 -0.44 0.00 0.09 0.00 0.00 178.83 178.48 3hjw h ALA 105 N 2.05 0.76 0.00 0.06 0.00 -1.01 -3.40 119.26 117.72 3hjw h ALA 105 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3hjw h ALA 105 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hjw h ALA 105 CO 0.00 0.00 -1.44 1.28 0.00 0.00 0.00 179.25 179.09 3hjw n LEU 106 N -2.71 1.92 -0.35 0.00 4.32 0.88 -4.25 117.00 116.81 3hjw n LEU 106 Ca 0.03 0.39 0.14 0.00 -0.02 0.00 0.00 56.01 56.55 3hjw n LEU 106 Cb 0.51 -0.81 0.28 0.00 -1.62 0.00 0.00 43.42 41.78 3hjw n LEU 106 CO 0.36 0.03 0.79 -0.07 -1.22 0.00 0.00 177.39 177.28 3hjw h LEU 107 N -1.00 -0.52 -0.04 2.23 3.38 -0.88 0.56 115.31 119.04 3hjw h LEU 107 Ca -0.27 0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hjw h LEU 107 Cb 1.15 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3hjw h LEU 107 CO -0.16 -0.36 -0.06 -0.81 0.09 0.00 0.00 178.44 177.14 3hjw n PRO 108 N -5.51 0.30 -1.61 1.13 -0.04 -1.26 -4.76 135.00 123.25 3hjw n PRO 108 Ca 0.23 -0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.34 3hjw n PRO 108 Cb 0.75 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.78 3hjw n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hjw s ALA 109 N -2.73 2.54 0.66 0.55 0.00 0.20 -4.39 121.76 118.60 3hjw s ALA 109 Ca 0.23 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 3hjw s ALA 109 Cb 0.20 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3hjw s ALA 109 CO 0.50 -1.40 1.14 0.20 0.00 0.00 0.00 175.76 176.20 3hjw s GLY 110 N -3.91 2.26 0.18 0.00 0.00 -1.26 -3.86 107.32 100.72 3hjw s GLY 110 Ca 0.59 0.66 0.08 0.00 0.00 0.00 0.00 44.72 46.05 3hjw s GLY 110 CO 0.54 1.03 -0.15 0.54 0.00 0.00 0.00 173.10 175.06 3hjw s LYS 111 N -3.96 1.27 0.02 2.90 -0.14 0.84 -1.49 119.74 119.19 3hjw s LYS 111 Ca 0.69 -1.49 0.06 0.00 -1.36 0.00 0.00 55.97 53.88 3hjw s LYS 111 Cb -0.23 -1.14 -0.02 0.00 -1.68 0.00 0.00 37.83 34.76 3hjw s LYS 111 CO 0.41 0.21 -0.18 -2.00 -0.76 0.00 0.00 175.35 173.02 3hjw s GLU 112 N -3.27 1.33 0.07 1.68 2.12 -0.31 -0.33 118.70 119.99 3hjw s GLU 112 Ca 0.19 -0.79 0.06 0.00 0.36 0.00 0.00 54.97 54.79 3hjw s GLU 112 Cb -0.03 -1.37 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 3hjw s GLU 112 CO 0.06 0.36 -0.17 0.71 -0.54 0.00 0.00 175.26 175.67 3hjw s TYR 113 N -0.66 1.51 -0.23 5.30 1.51 -0.08 -0.73 117.35 123.97 3hjw s TYR 113 Ca 0.06 -0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 55.62 3hjw s TYR 113 Cb -0.08 -0.86 -0.05 0.00 -0.11 0.00 0.00 41.96 40.86 3hjw s TYR 113 CO 0.01 0.10 0.14 0.08 -1.11 0.00 0.00 175.55 174.77 3hjw s VAL 114 N -1.03 5.30 0.08 0.71 1.01 -0.09 -0.55 120.40 125.82 3hjw s VAL 114 Ca 0.03 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.25 3hjw s VAL 114 Cb -0.09 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3hjw s VAL 114 CO 0.02 0.37 -0.21 0.00 0.00 0.00 0.00 175.10 175.29 3hjw s ALA 115 N 0.87 1.84 -0.29 5.51 0.00 0.74 -1.30 121.76 129.12 3hjw s ALA 115 Ca 0.07 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 3hjw s ALA 115 Cb -0.13 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.71 3hjw s ALA 115 CO 0.03 0.39 0.03 -1.17 0.00 0.00 0.00 175.76 175.04 3hjw s LEU 116 N -1.56 3.72 -0.16 0.00 2.96 -0.10 -1.12 118.68 122.42 3hjw s LEU 116 Ca 0.08 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 53.00 3hjw s LEU 116 Cb -0.09 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3hjw s LEU 116 CO 0.03 -0.20 0.20 -0.32 -1.32 0.00 0.00 176.35 174.75 3hjw s MET 117 N 1.41 4.07 -0.31 1.98 -2.45 0.42 -1.05 119.30 123.37 3hjw s MET 117 Ca 0.00 -0.06 -0.10 0.00 -1.25 0.00 0.00 55.69 54.29 3hjw s MET 117 Cb -0.18 -3.37 -0.01 0.00 1.25 0.00 0.00 34.83 32.52 3hjw s MET 117 CO 0.00 0.38 0.15 -1.58 1.05 0.00 0.00 175.02 175.02 3hjw s HIS 118 N 0.09 3.17 0.30 4.11 2.46 0.79 -0.56 115.29 125.66 3hjw s HIS 118 Ca 0.13 -0.52 -0.27 0.00 0.47 0.00 0.00 55.06 54.87 3hjw s HIS 118 Cb -0.12 -2.35 -0.09 0.00 -0.13 0.00 0.00 32.58 29.88 3hjw s HIS 118 CO 0.02 -0.43 0.97 -0.51 -2.47 0.00 0.00 174.74 172.32 3hjw s LEU 119 N 1.62 4.43 -0.05 8.88 1.43 0.95 -1.34 118.68 134.60 3hjw s LEU 119 Ca 0.05 1.94 0.11 0.00 -1.03 0.00 0.00 54.13 55.20 3hjw s LEU 119 Cb -0.17 -3.87 0.39 0.00 0.03 0.00 0.00 46.19 42.57 3hjw s LEU 119 CO 0.06 -0.06 1.25 1.41 0.23 0.00 0.00 176.35 179.25 3hjw n HIS 120 N 0.83 0.75 -3.57 0.29 8.25 -0.35 -4.87 115.22 116.55 3hjw n HIS 120 Ca 0.01 -0.31 -0.06 0.00 -0.26 0.00 0.00 57.72 57.10 3hjw n HIS 120 Cb 0.48 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 3hjw n HIS 120 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hjw s GLY 121 N -0.79 -0.38 0.18 -1.41 0.00 -1.26 -4.92 107.32 98.74 3hjw s GLY 121 Ca 0.28 1.07 -0.30 0.00 0.00 0.00 0.00 44.72 45.77 3hjw s GLY 121 CO 0.15 0.34 0.95 0.99 0.00 0.00 0.00 173.10 175.53 3hjw s ASP 122 N -2.48 7.57 -0.05 1.64 1.01 -1.26 -4.94 116.67 118.17 3hjw s ASP 122 Ca 0.08 1.87 -0.03 0.00 0.71 0.00 0.00 52.55 55.18 3hjw s ASP 122 Cb -0.01 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.35 3hjw s ASP 122 CO -0.06 0.05 0.11 -0.69 0.21 0.00 0.00 175.17 174.79 3hjw s VAL 123 N -0.62 -0.03 0.46 -1.27 1.01 -1.26 -5.03 120.40 113.66 3hjw s VAL 123 Ca 0.44 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 3hjw s VAL 123 Cb -0.25 -0.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 3hjw s VAL 123 CO 0.31 0.05 1.24 -0.81 0.00 0.00 0.00 175.10 175.89 3hjw n PRO 124 N 3.73 1.76 -0.24 2.72 -0.04 -1.26 -4.89 135.00 136.78 3hjw n PRO 124 Ca -0.21 0.63 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 3hjw n PRO 124 Cb 0.55 -2.38 0.30 0.00 -0.04 0.00 0.00 33.50 31.92 3hjw n PRO 124 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3hjw h GLU 125 N 1.78 0.86 -0.65 0.54 5.08 -2.00 -2.29 114.58 117.89 3hjw h GLU 125 Ca -0.48 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3hjw h GLU 125 Cb 1.30 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3hjw h GLU 125 CO 0.58 0.57 0.42 0.38 -1.00 0.00 0.00 179.01 179.97 3hjw h ASP 126 N 0.89 0.72 -0.07 1.42 3.04 -2.01 -2.75 116.42 117.66 3hjw h ASP 126 Ca 0.35 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 54.12 3hjw h ASP 126 Cb 0.22 -0.17 -0.00 0.00 -1.04 0.00 0.00 39.33 38.33 3hjw h ASP 126 CO -0.12 0.51 0.03 0.50 -2.04 0.00 0.00 179.24 178.12 3hjw h LYS 127 N 0.85 0.10 -0.31 4.15 3.11 -1.80 -1.81 116.57 120.86 3hjw h LYS 127 Ca 0.25 -0.02 0.07 0.00 -2.81 0.00 0.00 60.65 58.14 3hjw h LYS 127 Cb -0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.08 3hjw h LYS 127 CO -0.07 0.21 -0.24 0.82 -2.81 0.00 0.00 179.45 177.35 3hjw h ILE 128 N -0.04 0.37 -0.12 2.00 2.04 -1.38 0.35 117.51 120.74 3hjw h ILE 128 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3hjw h ILE 128 Cb 0.14 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hjw h ILE 128 CO -0.00 0.00 0.08 0.40 0.00 0.00 0.00 178.15 178.62 3hjw h ILE 129 N -0.22 1.05 -0.49 -0.67 2.04 -1.42 -1.54 117.51 116.27 3hjw h ILE 129 Ca 0.16 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3hjw h ILE 129 Cb 0.47 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 3hjw h ILE 129 CO -0.44 0.05 -0.54 1.56 0.00 0.00 0.00 178.15 178.79 3hjw h GLN 130 N 0.14 -0.32 -0.43 2.37 4.20 -0.87 -1.73 115.11 118.47 3hjw h GLN 130 Ca 0.04 0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 3hjw h GLN 130 Cb 0.02 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3hjw h GLN 130 CO -0.01 -0.22 -0.26 0.28 -0.67 0.00 0.00 178.83 177.95 3hjw h VAL 131 N -0.34 1.27 -0.35 -0.54 2.07 -0.82 -2.87 116.25 114.67 3hjw h VAL 131 Ca 0.10 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 3hjw h VAL 131 Cb 0.58 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3hjw h VAL 131 CO -0.64 0.48 -0.04 0.24 0.02 0.00 0.00 177.57 177.63 3hjw h MET 132 N 0.78 0.57 -0.66 1.57 2.86 -1.20 -1.67 114.93 117.18 3hjw h MET 132 Ca 0.09 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 3hjw h MET 132 Cb 0.84 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 3hjw h MET 132 CO 0.07 0.62 0.43 -0.22 1.06 0.00 0.00 176.91 178.88 3hjw h LYS 133 N 0.54 0.62 0.00 1.72 3.64 -1.09 -2.06 116.57 119.93 3hjw h LYS 133 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hjw h LYS 133 Cb 0.41 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3hjw h LYS 133 CO 0.02 0.41 0.00 0.93 -2.27 0.00 0.00 179.45 178.54 3hjw h GLU 134 N 0.63 0.00 0.00 1.90 5.08 -1.21 -2.90 114.58 118.08 3hjw h GLU 134 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3hjw h GLU 134 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hjw h GLU 134 CO -0.09 0.00 -0.20 1.19 -1.00 0.00 0.00 179.01 178.91 3hjw n PHE 135 N -2.38 0.20 -1.95 4.33 3.72 -0.78 -4.85 117.46 115.76 3hjw n PHE 135 Ca 0.02 0.06 -0.41 0.00 -0.05 0.00 0.00 57.45 57.06 3hjw n PHE 135 Cb 0.23 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 3hjw n PHE 135 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3hjw s GLU 136 N -3.03 4.23 0.00 -1.08 2.02 -1.10 -4.70 118.70 115.04 3hjw s GLU 136 Ca 0.12 2.39 0.00 0.00 0.02 0.00 0.00 54.97 57.50 3hjw s GLU 136 Cb 0.17 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3hjw s GLU 136 CO 0.61 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.86 3hjw n GLY 137 N 1.63 -0.09 3.77 -1.39 0.00 -0.25 -4.97 105.19 103.89 3hjw n GLY 137 Ca 0.05 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 3hjw n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjw s GLU 138 N 0.00 4.53 0.04 1.61 2.02 -1.26 -0.64 118.70 125.00 3hjw s GLU 138 Ca 0.00 1.60 0.04 0.00 0.02 0.00 0.00 54.97 56.63 3hjw s GLU 138 Cb 0.00 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 3hjw s GLU 138 CO 0.00 0.17 -0.11 0.96 0.02 0.00 0.00 175.26 176.30 3hjw s ILE 139 N -1.37 0.87 -0.19 -1.63 -4.36 0.03 -4.92 121.20 109.63 3hjw s ILE 139 Ca 0.48 -0.94 -0.08 0.00 -0.26 0.00 0.00 60.65 59.85 3hjw s ILE 139 Cb -0.26 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.58 3hjw s ILE 139 CO 0.33 -0.10 0.08 -0.63 0.24 0.00 0.00 174.94 174.86 3hjw s ILE 140 N -0.93 4.93 0.11 8.37 1.01 -1.26 -0.96 121.20 132.47 3hjw s ILE 140 Ca -0.02 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 3hjw s ILE 140 Cb -0.08 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 3hjw s ILE 140 CO 0.01 0.45 0.19 0.00 0.00 0.00 0.00 174.94 175.59 3hjw s GLN 141 N 0.45 0.93 -0.12 2.79 -2.07 -0.05 -4.97 119.66 116.62 3hjw s GLN 141 Ca 0.04 -1.07 0.02 0.00 -1.82 0.00 0.00 55.36 52.53 3hjw s GLN 141 Cb -0.12 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.13 3hjw s GLN 141 CO 0.00 -0.30 -0.19 0.50 -1.32 0.00 0.00 175.29 173.98 3hjw s ARG 142 N -3.91 3.18 0.34 9.60 3.52 -1.26 -0.83 118.95 129.59 3hjw s ARG 142 Ca 0.10 -0.80 -0.27 0.00 -0.13 0.00 0.00 55.73 54.63 3hjw s ARG 142 Cb 0.05 -2.46 -0.13 0.00 -1.56 0.00 0.00 34.95 30.86 3hjw s ARG 142 CO -0.07 0.16 1.15 -2.30 -0.81 0.00 0.00 175.30 173.43 3hjw n PRO 143 N 3.61 1.72 -1.37 5.12 -0.02 -1.26 -4.96 135.00 137.83 3hjw n PRO 143 Ca -0.19 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 3hjw n PRO 143 Cb 0.53 -2.11 0.21 0.00 -0.02 0.00 0.00 33.50 32.10 3hjw n PRO 143 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hjw s PRO 144 N -1.80 -0.29 0.15 0.52 0.04 -1.26 -4.76 135.00 127.59 3hjw s PRO 144 Ca 0.58 -0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.37 3hjw s PRO 144 Cb -0.61 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.25 3hjw s PRO 144 CO 0.60 -3.09 1.68 1.25 0.04 0.00 0.00 177.00 177.48 3hjw h LEU 145 N -2.14 -0.31 -8.17 -3.56 5.85 -2.00 -3.33 115.31 101.65 3hjw h LEU 145 Ca -0.46 0.09 -0.59 0.00 0.84 0.00 0.00 57.88 57.76 3hjw h LEU 145 Cb 1.29 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 42.42 3hjw h LEU 145 CO 0.41 -0.11 1.37 -0.60 -0.34 0.00 0.00 178.44 179.16 3hjw s ARG 146 N -6.20 3.48 -0.17 1.25 6.06 -1.26 -4.90 118.95 117.21 3hjw s ARG 146 Ca -0.14 -0.90 -0.13 0.00 -2.50 0.00 0.00 55.73 52.06 3hjw s ARG 146 Cb 0.12 -5.04 0.05 0.00 0.06 0.00 0.00 34.95 30.14 3hjw s ARG 146 CO 0.69 -2.18 0.43 0.45 -2.50 0.00 0.00 175.30 172.19 3hjw s SER 147 N 4.62 -0.49 0.00 -2.12 0.15 -1.25 -5.03 113.70 109.59 3hjw s SER 147 Ca 0.43 0.89 0.18 0.00 0.70 0.00 0.00 55.95 58.15 3hjw s SER 147 Cb -0.02 0.85 0.50 0.00 -1.71 0.00 0.00 66.02 65.64 3hjw s SER 147 CO -0.03 -0.17 1.41 0.00 1.20 0.00 0.00 173.24 175.65 3hjw n ALA 148 N 3.39 2.43 -2.18 5.45 0.00 -1.26 -4.97 120.51 123.38 3hjw n ALA 148 Ca -0.17 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.32 3hjw n ALA 148 Cb 0.56 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 3hjw n ALA 148 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hjw s VAL 149 N -1.41 0.52 0.16 0.00 1.01 -1.26 -5.11 120.40 114.31 3hjw s VAL 149 Ca 0.35 -1.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.17 3hjw s VAL 149 Cb 0.19 -1.57 -0.11 0.00 0.00 0.00 0.00 36.38 34.89 3hjw s VAL 149 CO 0.25 -0.90 1.73 -0.54 0.00 0.00 0.00 175.10 175.64 3hjw s LYS 150 N -3.76 4.15 -1.34 2.72 -0.14 -1.26 -4.86 119.74 115.26 3hjw s LYS 150 Ca 0.09 2.54 -0.09 0.00 -1.36 0.00 0.00 55.97 57.14 3hjw s LYS 150 Cb 0.05 -3.32 -0.12 0.00 -1.68 0.00 0.00 37.83 32.77 3hjw s LYS 150 CO -0.06 -0.76 3.09 0.54 -0.76 0.00 0.00 175.35 177.40 3hjw n ARG 151 N 4.72 3.40 -4.30 1.68 1.74 -1.26 -4.68 116.66 117.97 3hjw n ARG 151 Ca 0.16 -1.99 -0.26 0.00 -0.77 0.00 0.00 57.85 55.00 3hjw n ARG 151 Cb 0.37 -2.66 -0.09 0.00 -1.02 0.00 0.00 32.46 29.07 3hjw n ARG 151 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3hjw s ARG 152 N 1.95 2.11 0.38 5.56 1.70 -1.26 -4.76 118.95 124.63 3hjw s ARG 152 Ca 0.69 -1.32 -0.28 0.00 -0.47 0.00 0.00 55.73 54.36 3hjw s ARG 152 Cb 0.21 -2.15 -0.10 0.00 -0.57 0.00 0.00 34.95 32.33 3hjw s ARG 152 CO -0.05 0.42 1.44 -1.17 -1.08 0.00 0.00 175.30 174.85 3hjw s LEU 153 N -3.05 4.30 0.13 -1.89 2.96 -1.26 -4.26 118.68 115.61 3hjw s LEU 153 Ca 0.27 2.95 -0.23 0.00 -0.22 0.00 0.00 54.13 56.89 3hjw s LEU 153 Cb -0.08 -3.71 0.07 0.00 0.50 0.00 0.00 46.19 42.96 3hjw s LEU 153 CO 0.16 -0.85 0.59 0.00 -1.32 0.00 0.00 176.35 174.92 3hjw s ARG 154 N -2.10 1.22 -0.05 1.98 1.70 -0.01 -4.99 118.95 116.70 3hjw s ARG 154 Ca 0.53 -0.40 -0.01 0.00 -0.47 0.00 0.00 55.73 55.39 3hjw s ARG 154 Cb -0.44 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 3hjw s ARG 154 CO 0.60 -0.51 0.01 -0.08 -1.08 0.00 0.00 175.30 174.23 3hjw s THR 155 N -3.40 4.29 0.00 4.99 -1.32 -1.26 -0.87 115.64 118.08 3hjw s THR 155 Ca -0.00 -0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 59.98 3hjw s THR 155 Cb -0.01 -2.86 0.01 0.00 -1.51 0.00 0.00 72.50 68.14 3hjw s THR 155 CO -0.10 0.50 0.22 -0.60 -2.21 0.00 0.00 174.62 172.44 3hjw s ARG 156 N -1.20 0.61 -0.09 7.08 6.06 -0.13 -4.97 118.95 126.31 3hjw s ARG 156 Ca 0.16 -0.37 -0.19 0.00 -2.50 0.00 0.00 55.73 52.84 3hjw s ARG 156 Cb -0.11 0.26 -0.04 0.00 0.06 0.00 0.00 34.95 35.11 3hjw s ARG 156 CO 0.06 -0.16 0.50 0.15 -2.50 0.00 0.00 175.30 173.35 3hjw s LYS 157 N -1.63 4.32 -0.38 5.12 1.02 -1.26 -0.79 119.74 126.14 3hjw s LYS 157 Ca -0.12 0.51 -0.16 0.00 0.02 0.00 0.00 55.97 56.21 3hjw s LYS 157 Cb -0.05 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3hjw s LYS 157 CO 0.01 0.21 0.41 0.08 -0.92 0.00 0.00 175.35 175.15 3hjw s VAL 158 N 0.43 5.11 0.16 3.17 1.01 0.19 -1.12 120.40 129.34 3hjw s VAL 158 Ca 0.27 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3hjw s VAL 158 Cb -0.16 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 3hjw s VAL 158 CO 0.12 -0.26 1.36 1.88 0.00 0.00 0.00 175.10 178.19 3hjw h TYR 159 N 8.59 0.23 -2.01 5.22 -1.99 -0.41 -0.64 116.97 125.96 3hjw h TYR 159 Ca -0.28 -0.14 0.08 0.00 2.00 0.00 0.00 58.73 60.40 3hjw h TYR 159 Cb 1.13 -0.02 -0.18 0.00 2.00 0.00 0.00 36.73 39.65 3hjw h TYR 159 CO 0.66 0.98 0.48 1.52 -0.00 0.00 0.00 178.16 181.80 3hjw s TYR 160 N -3.09 -0.39 -0.06 4.88 1.13 -1.16 -4.83 117.35 113.83 3hjw s TYR 160 Ca -0.02 0.45 0.02 0.00 -1.41 0.00 0.00 57.07 56.11 3hjw s TYR 160 Cb 0.10 0.49 0.01 0.00 -1.10 0.00 0.00 41.96 41.47 3hjw s TYR 160 CO 0.83 -0.48 -0.11 0.42 -2.51 0.00 0.00 175.55 173.70 3hjw s ILE 161 N -2.23 1.02 -0.18 -3.49 1.01 -1.26 -1.25 121.20 114.83 3hjw s ILE 161 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3hjw s ILE 161 Cb -0.01 -0.95 0.04 0.00 0.01 0.00 0.00 42.46 41.55 3hjw s ILE 161 CO -0.03 0.33 -0.08 -0.70 0.00 0.00 0.00 174.94 174.45 3hjw s GLU 162 N 0.73 1.78 -0.05 2.79 2.12 0.58 -4.94 118.70 121.71 3hjw s GLU 162 Ca -0.14 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 3hjw s GLU 162 Cb -0.15 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 3hjw s GLU 162 CO 0.03 -0.41 1.20 0.08 -0.54 0.00 0.00 175.26 175.62 3hjw s VAL 163 N 1.52 4.25 -0.22 3.70 1.01 -1.26 0.23 120.40 129.63 3hjw s VAL 163 Ca 0.00 1.58 -0.05 0.00 0.00 0.00 0.00 61.98 63.52 3hjw s VAL 163 Cb -0.15 -4.02 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 3hjw s VAL 163 CO -0.08 0.01 -0.04 0.18 0.00 0.00 0.00 175.10 175.16 3hjw n LEU 164 N 5.12 2.64 -3.64 3.92 4.77 0.33 -4.96 117.00 125.17 3hjw n LEU 164 Ca 0.11 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3hjw n LEU 164 Cb 0.46 -0.96 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 3hjw n LEU 164 CO 0.55 0.81 0.37 -1.61 -1.33 0.00 0.00 177.39 176.17 3hjw s GLU 165 N -2.52 0.77 -0.14 3.23 2.02 -1.10 -5.03 118.70 115.93 3hjw s GLU 165 Ca -0.31 0.98 0.01 0.00 0.02 0.00 0.00 54.97 55.66 3hjw s GLU 165 Cb 0.09 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.67 3hjw s GLU 165 CO 0.63 -0.10 -0.18 0.42 0.02 0.00 0.00 175.26 176.05 3hjw s ILE 166 N 0.55 2.46 -0.48 -1.63 1.01 -1.26 -0.62 121.20 121.22 3hjw s ILE 166 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.82 3hjw s ILE 166 Cb -0.05 -2.02 0.13 0.00 0.01 0.00 0.00 42.46 40.53 3hjw s ILE 166 CO -0.02 0.53 0.24 -1.61 0.00 0.00 0.00 174.94 174.08 3hjw s GLU 167 N 0.75 1.69 6.12 2.79 2.02 0.22 -5.01 118.70 127.29 3hjw s GLU 167 Ca -0.07 -2.35 0.00 0.00 0.02 0.00 0.00 54.97 52.57 3hjw s GLU 167 Cb -0.16 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.13 3hjw s GLU 167 CO 0.00 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.58 3hjw n GLY 168 N 3.33 1.56 0.44 -1.39 0.00 -1.26 -1.85 105.19 106.02 3hjw n GLY 168 Ca 0.06 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3hjw n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjw n ARG 169 N 0.81 1.37 -3.62 1.61 1.74 -1.26 -4.85 116.66 112.46 3hjw n ARG 169 Ca 0.00 -0.89 -0.36 0.00 -0.77 0.00 0.00 57.85 55.82 3hjw n ARG 169 Cb 0.00 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 29.87 3hjw n ARG 169 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hjw s ASP 170 N -2.25 6.22 -0.19 0.55 -0.00 -0.77 -0.04 116.67 120.19 3hjw s ASP 170 Ca 0.29 0.24 0.01 0.00 -0.00 0.00 0.00 52.55 53.10 3hjw s ASP 170 Cb 0.20 -2.13 0.03 0.00 -0.00 0.00 0.00 42.92 41.02 3hjw s ASP 170 CO 0.43 0.07 -0.18 -0.69 -0.00 0.00 0.00 175.17 174.80 3hjw s VAL 171 N 0.87 2.03 -0.23 -1.27 1.01 0.28 -0.61 120.40 122.49 3hjw s VAL 171 Ca 0.10 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 3hjw s VAL 171 Cb -0.13 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3hjw s VAL 171 CO 0.03 0.43 0.14 -0.22 0.00 0.00 0.00 175.10 175.49 3hjw s LEU 172 N 1.28 4.11 0.03 3.92 2.96 0.21 -0.44 118.68 130.74 3hjw s LEU 172 Ca 0.03 0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.96 3hjw s LEU 172 Cb -0.14 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3hjw s LEU 172 CO -0.11 0.10 0.22 0.72 -1.32 0.00 0.00 176.35 175.96 3hjw s PHE 173 N 0.84 -0.01 0.02 5.38 -0.12 -0.28 -0.51 117.98 123.30 3hjw s PHE 173 Ca 0.07 -0.13 -0.07 0.00 -0.05 0.00 0.00 56.93 56.76 3hjw s PHE 173 Cb -0.13 0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.22 3hjw s PHE 173 CO 0.02 -0.41 0.28 1.03 -0.05 0.00 0.00 175.22 176.09 3hjw s ARG 174 N -2.19 3.59 -0.03 1.99 0.52 0.13 -0.19 118.95 122.77 3hjw s ARG 174 Ca -0.08 -0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.05 3hjw s ARG 174 Cb -0.03 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.40 3hjw s ARG 174 CO -0.02 0.64 0.07 0.54 0.02 0.00 0.00 175.30 176.55 3hjw s VAL 175 N -1.32 -0.03 -0.16 3.52 0.11 0.28 -0.31 120.40 122.50 3hjw s VAL 175 Ca 0.28 0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 59.39 3hjw s VAL 175 Cb -0.13 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3hjw s VAL 175 CO 0.17 0.05 0.00 -0.83 -3.33 0.00 0.00 175.10 171.15 3hjw s GLY 176 N 0.63 1.80 0.05 6.54 0.00 -0.38 -0.90 107.32 115.05 3hjw s GLY 176 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 3hjw s GLY 176 CO -0.02 -0.08 0.03 -1.34 0.00 0.00 0.00 173.10 171.69 3hjw s VAL 177 N 0.23 0.17 0.70 1.40 -7.23 0.55 0.34 120.40 116.57 3hjw s VAL 177 Ca 0.00 -1.39 -0.16 0.00 -1.81 0.00 0.00 61.98 58.62 3hjw s VAL 177 Cb -0.13 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.72 3hjw s VAL 177 CO 0.02 -0.77 1.21 -0.70 -0.31 0.00 0.00 175.10 174.54 3hjw s GLU 178 N -3.14 2.31 0.42 4.82 2.12 -0.28 -0.11 118.70 124.85 3hjw s GLU 178 Ca -0.00 1.76 -0.26 0.00 0.36 0.00 0.00 54.97 56.83 3hjw s GLU 178 Cb 0.02 -1.85 -0.10 0.00 0.26 0.00 0.00 34.13 32.46 3hjw s GLU 178 CO -0.07 -1.71 1.37 0.00 -0.54 0.00 0.00 175.26 174.31 3hjw n ALA 179 N -2.51 1.73 -0.93 6.30 0.00 -1.25 -2.97 120.51 120.89 3hjw n ALA 179 Ca 0.13 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3hjw n ALA 179 Cb 0.50 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3hjw n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjw n GLY 180 N 0.67 0.53 3.68 0.00 0.00 -1.26 -4.99 105.19 103.81 3hjw n GLY 180 Ca 0.05 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3hjw n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hjw s THR 181 N -2.00 5.00 -0.24 2.61 2.01 -1.16 -5.04 115.64 116.83 3hjw s THR 181 Ca 0.00 1.35 -0.20 0.00 0.31 0.00 0.00 61.69 63.14 3hjw s THR 181 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 3hjw s THR 181 CO 0.00 0.14 0.62 -0.31 -0.69 0.00 0.00 174.62 174.38 3hjw s TYR 182 N 1.63 3.31 0.07 4.92 1.51 -1.26 -4.97 117.35 122.56 3hjw s TYR 182 Ca 0.33 0.84 -0.10 0.00 -1.01 0.00 0.00 57.07 57.13 3hjw s TYR 182 Cb -0.16 -2.82 -0.26 0.00 -0.11 0.00 0.00 41.96 38.61 3hjw s TYR 182 CO 0.13 -0.28 1.14 0.82 -1.11 0.00 0.00 175.55 176.25 3hjw h ILE 183 N 5.34 1.36 -0.27 2.71 1.08 -2.00 -2.93 117.51 122.80 3hjw h ILE 183 Ca -0.28 -2.65 0.05 0.00 -0.39 0.00 0.00 64.86 61.59 3hjw h ILE 183 Cb 1.13 2.76 -0.05 0.00 -3.07 0.00 0.00 36.82 37.59 3hjw h ILE 183 CO 0.77 0.79 -0.04 0.03 -0.69 0.00 0.00 178.15 179.02 3hjw h ARG 184 N 0.20 0.03 -0.49 2.37 3.08 -2.00 -1.65 114.38 115.93 3hjw h ARG 184 Ca -0.16 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.94 3hjw h ARG 184 Cb 1.91 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.90 3hjw h ARG 184 CO 0.22 0.02 0.22 1.03 -1.07 0.00 0.00 179.97 180.39 3hjw h SER 185 N 0.04 0.28 -0.53 7.04 0.87 -1.98 -1.11 113.55 118.17 3hjw h SER 185 Ca 0.13 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3hjw h SER 185 Cb 0.19 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3hjw h SER 185 CO -0.25 0.20 0.29 0.25 -0.53 0.00 0.00 176.83 176.79 3hjw h LEU 186 N 0.43 0.44 -0.89 2.23 5.85 -1.27 -2.02 115.31 120.08 3hjw h LEU 186 Ca 0.23 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3hjw h LEU 186 Cb 0.18 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3hjw h LEU 186 CO -0.19 0.30 0.13 0.40 -0.34 0.00 0.00 178.44 178.75 3hjw h ILE 187 N 0.56 1.24 -0.74 4.05 2.04 -0.93 -1.65 117.51 122.08 3hjw h ILE 187 Ca 0.22 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.22 3hjw h ILE 187 Cb 0.09 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3hjw h ILE 187 CO -0.13 0.34 0.46 -0.74 0.00 0.00 0.00 178.15 178.08 3hjw h HIS 188 N 0.91 0.86 -0.02 1.37 2.76 -0.68 -1.18 115.15 119.16 3hjw h HIS 188 Ca 0.19 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.23 3hjw h HIS 188 Cb 0.35 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3hjw h HIS 188 CO 0.02 0.47 -0.69 0.45 -1.30 0.00 0.00 177.93 176.88 3hjw h HIS 189 N 0.88 0.14 -0.48 5.26 3.86 -1.08 -1.77 115.15 121.96 3hjw h HIS 189 Ca 0.31 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3hjw h HIS 189 Cb 0.07 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3hjw h HIS 189 CO -0.04 0.76 0.18 0.82 0.86 0.00 0.00 177.93 180.51 3hjw h ILE 190 N 0.07 1.22 -0.83 2.45 2.04 -1.08 -0.86 117.51 120.52 3hjw h ILE 190 Ca -0.01 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.22 3hjw h ILE 190 Cb 1.23 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 3hjw h ILE 190 CO 0.10 0.25 0.52 1.23 0.00 0.00 0.00 178.15 180.25 3hjw h GLY 191 N 0.64 1.24 1.17 5.37 0.00 -0.92 -0.73 103.07 109.84 3hjw h GLY 191 Ca 0.16 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 3hjw h GLY 191 CO -0.01 0.27 -0.35 1.41 0.00 0.00 0.00 176.54 177.87 3hjw h LEU 192 N 0.96 0.97 -1.33 3.11 3.38 -1.21 -0.09 115.31 121.10 3hjw h LEU 192 Ca 0.36 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hjw h LEU 192 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hjw h LEU 192 CO -0.16 1.22 0.09 0.00 0.09 0.00 0.00 178.44 179.68 3hjw h ALA 193 N 0.83 1.47 -0.00 1.53 0.00 -0.82 -1.06 119.26 121.21 3hjw h ALA 193 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hjw h ALA 193 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hjw h ALA 193 CO 0.09 0.39 -0.06 1.28 0.00 0.00 0.00 179.25 180.95 3hjw n LEU 194 N -4.34 0.13 0.00 0.00 4.77 -0.31 -4.94 117.00 112.31 3hjw n LEU 194 Ca 0.02 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3hjw n LEU 194 Cb 0.19 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3hjw n LEU 194 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3hjw n GLY 195 N 1.38 1.43 0.24 -0.72 0.00 -0.40 -4.75 105.19 102.37 3hjw n GLY 195 Ca 0.11 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.22 3hjw n GLY 195 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hjw h VAL 196 N 0.00 0.00 0.00 1.61 -1.51 -1.84 -3.45 116.25 111.07 3hjw h VAL 196 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3hjw h VAL 196 Cb 0.00 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3hjw h VAL 196 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3hjw n GLY 197 N -0.11 -1.49 3.45 5.19 0.00 -0.14 -4.16 105.19 107.92 3hjw n GLY 197 Ca 0.01 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 3hjw n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjw s ALA 198 N -2.96 -1.65 0.18 4.61 0.00 -1.26 -1.22 121.76 119.46 3hjw s ALA 198 Ca 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 3hjw s ALA 198 Cb 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3hjw s ALA 198 CO 0.00 -0.67 0.09 -3.38 0.00 0.00 0.00 175.76 171.80 3hjw s HIS 199 N -3.10 1.11 -0.19 0.00 -3.43 -0.45 -4.49 115.29 104.74 3hjw s HIS 199 Ca -0.02 -1.27 -0.17 0.00 -0.80 0.00 0.00 55.06 52.80 3hjw s HIS 199 Cb -0.01 -0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 30.52 3hjw s HIS 199 CO -0.07 -0.52 0.44 1.41 -2.00 0.00 0.00 174.74 174.00 3hjw s MET 200 N -4.08 4.20 -0.01 -0.38 1.75 -1.26 -0.15 119.30 119.36 3hjw s MET 200 Ca 0.32 0.29 0.16 0.00 -1.25 0.00 0.00 55.69 55.21 3hjw s MET 200 Cb 0.07 -3.53 -0.22 0.00 2.84 0.00 0.00 34.83 33.99 3hjw s MET 200 CO 0.08 -0.05 0.52 -1.13 -0.65 0.00 0.00 175.02 173.79 3hjw n SER 201 N 4.47 0.99 -3.64 1.11 3.41 -0.22 -4.92 113.62 114.82 3hjw n SER 201 Ca -0.07 -0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.02 3hjw n SER 201 Cb 0.51 1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 65.79 3hjw n SER 201 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hjw s GLU 202 N -2.86 0.64 -0.09 4.33 2.12 -1.20 -5.00 118.70 116.65 3hjw s GLU 202 Ca -0.00 0.81 -0.08 0.00 0.36 0.00 0.00 54.97 56.06 3hjw s GLU 202 Cb 0.11 0.29 0.03 0.00 0.26 0.00 0.00 34.13 34.82 3hjw s GLU 202 CO 0.68 -0.08 0.24 -1.17 -0.54 0.00 0.00 175.26 174.38 3hjw s LEU 203 N 0.48 1.03 -0.05 2.70 2.96 -1.26 -0.92 118.68 123.63 3hjw s LEU 203 Ca -0.00 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.37 3hjw s LEU 203 Cb -0.05 0.80 0.04 0.00 0.50 0.00 0.00 46.19 47.47 3hjw s LEU 203 CO -0.05 -0.09 0.09 -0.60 -1.32 0.00 0.00 176.35 174.38 3hjw s ARG 204 N 0.24 0.03 -0.12 1.98 3.52 -0.42 -3.16 118.95 121.00 3hjw s ARG 204 Ca -0.01 0.31 -0.27 0.00 -0.13 0.00 0.00 55.73 55.63 3hjw s ARG 204 Cb -0.02 -0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 3hjw s ARG 204 CO -0.01 -0.18 0.88 0.50 -0.81 0.00 0.00 175.30 175.68 3hjw s ARG 205 N 1.23 4.37 -0.00 5.12 3.52 -0.31 -0.91 118.95 131.97 3hjw s ARG 205 Ca -0.08 1.14 0.17 0.00 -0.13 0.00 0.00 55.73 56.83 3hjw s ARG 205 Cb -0.12 -3.54 -0.20 0.00 -1.56 0.00 0.00 34.95 29.53 3hjw s ARG 205 CO -0.05 -0.25 0.64 0.25 -0.81 0.00 0.00 175.30 175.09 3hjw n THR 206 N 4.49 0.00 -3.63 4.11 -2.24 0.09 -1.32 114.28 115.78 3hjw n THR 206 Ca 0.05 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 3hjw n THR 206 Cb 0.49 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.49 3hjw n THR 206 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3hjw s ARG 207 N -2.68 0.73 -0.25 -0.78 3.52 -1.07 -3.30 118.95 115.12 3hjw s ARG 207 Ca 0.04 0.96 -0.03 0.00 -0.13 0.00 0.00 55.73 56.58 3hjw s ARG 207 Cb 0.12 0.31 0.08 0.00 -1.56 0.00 0.00 34.95 33.90 3hjw s ARG 207 CO 0.69 -0.10 0.08 0.45 -0.81 0.00 0.00 175.30 175.60 3hjw s SER 208 N 0.66 3.35 1.68 -2.12 0.15 0.35 -1.16 113.70 116.60 3hjw s SER 208 Ca -0.02 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.47 3hjw s SER 208 Cb -0.05 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 3hjw s SER 208 CO -0.05 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.63 3hjw n GLY 209 N 5.05 3.80 0.00 9.45 0.00 -0.55 -0.35 105.19 122.58 3hjw n GLY 209 Ca -0.06 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3hjw n GLY 209 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hjw n PRO 210 N 14.00 0.20 -3.18 1.61 -0.04 -1.26 -4.73 135.00 141.60 3hjw n PRO 210 Ca 0.00 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 3hjw n PRO 210 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 3hjw n PRO 210 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hjw s PHE 211 N -2.71 3.16 0.45 0.54 0.08 0.52 -5.03 117.98 114.98 3hjw s PHE 211 Ca 0.17 0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.48 3hjw s PHE 211 Cb 0.14 -3.04 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 3hjw s PHE 211 CO 0.34 -0.60 0.06 0.15 -0.10 0.00 0.00 175.22 175.07 3hjw s LYS 212 N 2.55 2.03 -1.19 0.44 1.02 -1.26 -0.50 119.74 122.83 3hjw s LYS 212 Ca 0.21 -2.25 -0.18 0.00 0.02 0.00 0.00 55.97 53.77 3hjw s LYS 212 Cb -0.15 -1.09 0.10 0.00 -0.52 0.00 0.00 37.83 36.17 3hjw s LYS 212 CO 0.14 -0.38 1.55 -1.21 -0.92 0.00 0.00 175.35 174.53 3hjw s GLU 213 N -3.79 3.90 0.00 1.68 2.02 -1.21 -4.54 118.70 116.76 3hjw s GLU 213 Ca 0.18 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.22 3hjw s GLU 213 Cb 0.03 -5.33 0.00 0.00 0.10 0.00 0.00 34.13 28.93 3hjw s GLU 213 CO 0.10 -2.08 0.00 -0.40 0.02 0.00 0.00 175.26 172.90 3hjw n ASP 214 N 7.65 0.90 0.28 -0.19 5.68 -1.26 -5.01 116.55 124.60 3hjw n ASP 214 Ca 0.41 -0.25 0.17 0.00 -0.50 0.00 0.00 54.79 54.61 3hjw n ASP 214 Cb 0.46 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.23 3hjw n ASP 214 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hjw h GLU 215 N 0.00 0.00 0.00 0.11 4.39 -2.03 -2.52 114.58 114.54 3hjw h GLU 215 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hjw h GLU 215 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hjw h GLU 215 CO 0.00 0.05 0.00 1.79 -1.16 0.00 0.00 179.01 179.69 3hjw h THR 216 N 0.00 0.00 -2.87 1.13 1.35 -1.90 -3.44 112.91 107.18 3hjw h THR 216 Ca -0.00 -0.48 -0.54 0.00 -0.55 0.00 0.00 66.41 64.84 3hjw h THR 216 Cb 0.39 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3hjw h THR 216 CO 0.01 0.00 0.87 -0.22 -0.25 0.00 0.00 175.52 175.93 3hjw s LEU 217 N -5.34 4.32 -0.00 3.87 2.96 -0.95 -4.33 118.68 119.21 3hjw s LEU 217 Ca 0.05 2.14 0.03 0.00 -0.22 0.00 0.00 54.13 56.12 3hjw s LEU 217 Cb 0.09 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 3hjw s LEU 217 CO 0.52 -0.75 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.20 3hjw s ILE 218 N 2.58 0.71 0.58 6.68 2.07 0.21 -4.90 121.20 129.12 3hjw s ILE 218 Ca 0.65 -0.44 -0.09 0.00 -1.41 0.00 0.00 60.65 59.36 3hjw s ILE 218 Cb -0.32 -0.60 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 3hjw s ILE 218 CO 0.27 0.16 0.96 0.42 -1.91 0.00 0.00 174.94 174.83 3hjw s THR 219 N -0.29 4.76 0.19 4.00 -4.23 -1.26 -0.27 115.64 118.54 3hjw s THR 219 Ca 0.03 0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 61.10 3hjw s THR 219 Cb -0.04 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 70.05 3hjw s THR 219 CO -0.00 -1.05 1.72 -0.07 -0.54 0.00 0.00 174.62 174.68 3hjw h LEU 220 N -0.12 0.04 -0.09 4.79 3.38 -1.99 -0.07 115.31 121.24 3hjw h LEU 220 Ca -0.45 0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3hjw h LEU 220 Cb 1.19 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 3hjw h LEU 220 CO 0.62 0.05 -0.20 0.45 0.09 0.00 0.00 178.44 179.45 3hjw h HIS 221 N 0.26 -0.52 -0.36 1.13 3.86 -1.96 0.81 115.15 118.37 3hjw h HIS 221 Ca 0.25 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.43 3hjw h HIS 221 Cb 0.33 0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3hjw h HIS 221 CO -0.22 -0.28 -0.00 -0.44 0.86 0.00 0.00 177.93 177.85 3hjw h ASP 222 N -0.27 0.53 -0.07 2.45 3.32 -1.89 -0.72 116.42 119.77 3hjw h ASP 222 Ca 0.09 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hjw h ASP 222 Cb 0.39 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hjw h ASP 222 CO -0.25 0.61 0.02 0.25 -1.72 0.00 0.00 179.24 178.15 3hjw h LEU 223 N 0.54 0.10 -0.23 1.55 5.85 0.01 -0.35 115.31 122.78 3hjw h LEU 223 Ca 0.11 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 3hjw h LEU 223 Cb 0.35 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3hjw h LEU 223 CO 0.01 0.26 -0.85 -0.37 -0.34 0.00 0.00 178.44 177.15 3hjw h VAL 224 N -0.07 1.35 -0.47 1.05 -1.51 -0.71 -2.04 116.25 113.84 3hjw h VAL 224 Ca 0.02 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.27 3hjw h VAL 224 Cb 0.20 2.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.55 3hjw h VAL 224 CO -0.00 0.68 0.30 0.44 -1.23 0.00 0.00 177.57 177.75 3hjw h ASP 225 N 0.33 0.56 0.20 4.19 3.32 -1.12 -1.03 116.42 122.86 3hjw h ASP 225 Ca -0.06 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 3hjw h ASP 225 Cb 1.47 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 3hjw h ASP 225 CO 0.15 0.43 -0.32 1.88 -1.72 0.00 0.00 179.24 179.66 3hjw h TYR 226 N 0.63 0.21 -0.20 4.55 0.05 -1.02 -0.06 116.97 121.12 3hjw h TYR 226 Ca 0.17 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3hjw h TYR 226 Cb -0.04 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3hjw h TYR 226 CO -0.04 0.49 0.09 -0.92 -1.05 0.00 0.00 178.16 176.74 3hjw h TYR 227 N 0.17 0.30 -0.44 4.88 3.20 -0.88 -1.95 116.97 122.23 3hjw h TYR 227 Ca 0.02 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3hjw h TYR 227 Cb 0.65 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3hjw h TYR 227 CO 0.01 0.31 -0.06 1.88 -1.64 0.00 0.00 178.16 178.66 3hjw h TYR 228 N 0.20 0.82 -0.69 -3.82 0.99 -0.85 0.30 116.97 113.91 3hjw h TYR 228 Ca 0.07 -0.13 0.03 0.00 2.00 0.00 0.00 58.73 60.70 3hjw h TYR 228 Cb 0.13 -0.22 -0.04 0.00 1.00 0.00 0.00 36.73 37.60 3hjw h TYR 228 CO -0.02 0.80 0.46 0.74 -0.00 0.00 0.00 178.16 180.14 3hjw h PHE 229 N 0.70 0.81 0.27 4.88 0.05 -0.90 0.22 116.94 122.97 3hjw h PHE 229 Ca 0.13 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 3hjw h PHE 229 Cb 0.52 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.21 3hjw h PHE 229 CO 0.03 0.47 -0.13 2.35 -0.18 0.00 0.00 178.31 180.85 3hjw h TRP 230 N 0.84 -0.34 -0.41 -0.55 7.01 -0.78 -0.17 115.95 121.56 3hjw h TRP 230 Ca 0.28 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.30 3hjw h TRP 230 Cb 0.06 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 3hjw h TRP 230 CO -0.00 -0.21 0.21 0.87 -2.79 0.00 0.00 178.44 176.52 3hjw h LYS 231 N -1.02 0.41 0.00 2.65 6.56 -0.39 -1.48 116.57 123.31 3hjw h LYS 231 Ca -0.04 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 3hjw h LYS 231 Cb 0.28 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 3hjw h LYS 231 CO 0.06 0.27 -1.79 0.39 -2.06 0.00 0.00 179.45 176.32 3hjw n GLU 232 N -4.91 0.56 -0.00 3.15 1.02 0.76 -4.50 120.64 116.71 3hjw n GLU 232 Ca 0.02 -0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.06 3hjw n GLU 232 Cb 0.10 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 3hjw n GLU 232 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hjw n ASP 233 N -2.11 1.40 -0.07 1.62 10.43 -0.97 -5.01 116.55 121.83 3hjw n ASP 233 Ca -0.04 -0.42 -0.01 0.00 2.57 0.00 0.00 54.79 56.89 3hjw n ASP 233 Cb 0.47 1.21 -0.00 0.00 1.84 0.00 0.00 41.12 44.64 3hjw n ASP 233 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hjw n GLY 234 N 1.53 0.49 3.49 0.44 0.00 -0.55 -4.96 105.19 105.63 3hjw n GLY 234 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3hjw n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hjw s ILE 235 N -1.97 5.02 0.09 -0.61 -1.09 -0.17 -4.94 121.20 117.53 3hjw s ILE 235 Ca 0.00 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 3hjw s ILE 235 Cb 0.00 -4.08 -0.24 0.00 -1.58 0.00 0.00 42.46 36.55 3hjw s ILE 235 CO 0.00 -0.47 1.16 -0.08 -1.23 0.00 0.00 174.94 174.32 3hjw h GLU 236 N 8.77 0.11 -0.62 2.79 4.81 -1.88 -2.99 114.58 125.56 3hjw h GLU 236 Ca -0.26 -0.19 0.12 0.00 -0.13 0.00 0.00 59.36 58.90 3hjw h GLU 236 Cb 1.11 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 3hjw h GLU 236 CO 0.82 1.05 -0.27 0.93 -0.73 0.00 0.00 179.01 180.81 3hjw h GLU 237 N 0.03 -0.10 -0.02 1.92 5.08 -1.96 -1.84 114.58 117.68 3hjw h GLU 237 Ca -0.09 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3hjw h GLU 237 Cb 1.87 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3hjw h GLU 237 CO 0.15 -0.06 -0.05 1.88 -1.00 0.00 0.00 179.01 179.93 3hjw h TYR 238 N -0.10 0.10 -0.15 4.33 -1.99 -1.90 -2.58 116.97 114.68 3hjw h TYR 238 Ca 0.27 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.91 3hjw h TYR 238 Cb 0.53 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 3hjw h TYR 238 CO -0.60 0.64 -0.14 0.35 -0.00 0.00 0.00 178.16 178.40 3hjw h PHE 239 N -0.47 0.24 -0.50 4.88 3.57 -1.69 -1.17 116.94 121.81 3hjw h PHE 239 Ca 0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hjw h PHE 239 Cb 0.63 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3hjw h PHE 239 CO 0.12 0.37 0.32 -0.09 -2.23 0.00 0.00 178.31 176.81 3hjw h ARG 240 N 0.22 0.62 0.00 1.11 2.43 -1.24 -2.16 114.38 115.37 3hjw h ARG 240 Ca 0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3hjw h ARG 240 Cb 0.39 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hjw h ARG 240 CO 0.02 0.41 -0.12 0.87 -1.51 0.00 0.00 179.97 179.65 3hjw h LYS 241 N 0.64 0.00 0.00 0.20 1.57 -1.01 -3.03 116.57 114.95 3hjw h LYS 241 Ca 0.19 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3hjw h LYS 241 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hjw h LYS 241 CO -0.06 0.12 -0.26 0.00 -0.57 0.00 0.00 179.45 178.68 3hjw h ALA 242 N 1.88 1.44 -3.23 3.86 0.00 -0.58 -3.43 119.26 119.21 3hjw h ALA 242 Ca -0.00 -0.24 -0.63 0.00 0.00 0.00 0.00 54.91 54.04 3hjw h ALA 242 Cb 0.74 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.29 3hjw h ALA 242 CO 0.02 0.33 -0.63 0.42 0.00 0.00 0.00 179.25 179.38 3hjw s ILE 243 N -4.30 4.19 0.13 0.00 -1.09 -1.06 -4.52 121.20 114.54 3hjw s ILE 243 Ca -0.03 -0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.09 3hjw s ILE 243 Cb 0.14 -2.87 -0.06 0.00 -1.58 0.00 0.00 42.46 38.09 3hjw s ILE 243 CO 0.69 0.46 0.38 -1.10 -1.23 0.00 0.00 174.94 174.13 3hjw s GLN 244 N 0.60 3.65 0.52 2.79 -1.52 0.90 -4.89 119.66 121.71 3hjw s GLN 244 Ca -0.00 -0.03 -0.22 0.00 -1.95 0.00 0.00 55.36 53.16 3hjw s GLN 244 Cb -0.14 -2.88 -0.06 0.00 -0.22 0.00 0.00 33.01 29.71 3hjw s GLN 244 CO 0.02 0.49 1.27 -2.14 -0.25 0.00 0.00 175.29 174.68 3hjw s PRO 245 N -2.47 3.36 0.64 2.91 0.02 -1.26 0.13 135.00 138.33 3hjw s PRO 245 Ca 0.39 2.03 0.30 0.00 0.02 0.00 0.00 61.00 63.75 3hjw s PRO 245 Cb -0.12 -2.29 1.65 0.00 0.02 0.00 0.00 34.50 33.76 3hjw s PRO 245 CO 0.23 -0.95 1.96 0.00 -0.33 0.00 0.00 177.00 177.91 3hjw h MET 246 N 1.64 0.00 -0.94 5.54 -0.00 -1.25 -1.55 114.93 118.37 3hjw h MET 246 Ca -0.50 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.27 3hjw h MET 246 Cb 1.28 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.82 3hjw h MET 246 CO 0.58 0.00 0.61 0.93 -0.00 0.00 0.00 176.91 179.03 3hjw h GLU 247 N 0.00 1.02 -0.84 -0.10 3.07 -1.89 -1.79 114.58 114.04 3hjw h GLU 247 Ca 0.05 -0.06 0.19 0.00 -0.50 0.00 0.00 59.36 59.04 3hjw h GLU 247 Cb 0.71 -0.23 -0.11 0.00 -0.84 0.00 0.00 28.75 28.27 3hjw h GLU 247 CO -0.00 0.67 0.34 -0.22 -1.40 0.00 0.00 179.01 178.40 3hjw h LYS 248 N 1.05 0.39 0.00 2.33 1.63 -1.64 -0.04 116.57 120.29 3hjw h LYS 248 Ca 0.41 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 3hjw h LYS 248 Cb 0.24 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3hjw h LYS 248 CO -0.17 0.26 0.00 0.00 -3.45 0.00 0.00 179.45 176.09 3hjw n ALA 249 N -2.53 1.88 -0.26 5.00 0.00 -0.67 -2.06 120.51 121.86 3hjw n ALA 249 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3hjw n ALA 249 Cb 0.55 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3hjw n ALA 249 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hjw n VAL 250 N -0.94 0.38 0.23 0.00 3.14 -0.04 -4.67 118.33 116.43 3hjw n VAL 250 Ca 0.07 -0.56 0.06 0.00 -2.96 0.00 0.00 64.34 60.95 3hjw n VAL 250 Cb 0.03 0.94 0.55 0.00 -1.06 0.00 0.00 33.84 34.29 3hjw n VAL 250 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3hjw h GLU 251 N 0.00 0.00 -0.00 1.45 5.08 -1.31 -2.04 114.58 117.75 3hjw h GLU 251 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hjw h GLU 251 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hjw h GLU 251 CO 0.00 0.15 -0.08 -2.39 -1.00 0.00 0.00 179.01 175.69 3hjw n HIS 252 N -4.31 0.00 -3.53 4.33 1.44 -1.26 -4.90 115.22 106.99 3hjw n HIS 252 Ca -0.03 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.36 3hjw n HIS 252 Cb 0.22 -0.21 -0.05 0.00 0.12 0.00 0.00 29.99 30.07 3hjw n HIS 252 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3hjw s LEU 253 N -2.50 4.24 0.32 2.39 1.43 -0.77 -4.90 118.68 118.89 3hjw s LEU 253 Ca 0.29 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 53.89 3hjw s LEU 253 Cb 0.20 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 3hjw s LEU 253 CO 0.47 0.02 1.30 -2.16 0.23 0.00 0.00 176.35 176.21 3hjw s PRO 254 N -2.58 4.37 0.17 1.29 0.04 -1.26 -4.83 135.00 132.20 3hjw s PRO 254 Ca 0.42 2.20 0.10 0.00 0.04 0.00 0.00 61.00 63.76 3hjw s PRO 254 Cb -0.12 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 3hjw s PRO 254 CO 0.22 -0.18 -0.19 0.15 0.04 0.00 0.00 177.00 177.04 3hjw s LYS 255 N -1.69 1.70 -0.06 4.56 1.02 -1.26 -1.16 119.74 122.85 3hjw s LYS 255 Ca 0.49 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 55.11 3hjw s LYS 255 Cb -0.39 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3hjw s LYS 255 CO 0.52 0.42 -0.12 0.54 -0.92 0.00 0.00 175.35 175.79 3hjw s VAL 256 N -1.57 1.15 -0.11 3.17 0.11 -0.59 -1.06 120.40 121.50 3hjw s VAL 256 Ca 0.21 -0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 58.65 3hjw s VAL 256 Cb -0.09 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 3hjw s VAL 256 CO 0.11 0.36 0.26 0.26 -3.33 0.00 0.00 175.10 172.76 3hjw s TRP 257 N 0.62 3.58 0.19 1.54 0.51 0.11 -0.74 118.94 124.75 3hjw s TRP 257 Ca -0.14 0.66 0.11 0.00 -2.12 0.00 0.00 56.10 54.62 3hjw s TRP 257 Cb -0.15 -2.18 -0.04 0.00 -0.81 0.00 0.00 33.47 30.28 3hjw s TRP 257 CO 0.04 0.52 -0.24 0.96 -0.51 0.00 0.00 176.95 177.71 3hjw s ILE 258 N -0.45 2.34 0.54 2.03 -4.36 0.13 -0.51 121.20 120.92 3hjw s ILE 258 Ca 0.17 -2.01 -0.21 0.00 -0.26 0.00 0.00 60.65 58.34 3hjw s ILE 258 Cb -0.14 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.41 3hjw s ILE 258 CO 0.06 -0.10 1.24 -0.54 0.24 0.00 0.00 174.94 175.83 3hjw s LYS 259 N -2.63 3.25 0.32 0.37 1.02 0.45 -3.65 119.74 118.88 3hjw s LYS 259 Ca 0.20 1.93 0.10 0.00 0.02 0.00 0.00 55.97 58.22 3hjw s LYS 259 Cb -0.08 -2.16 0.95 0.00 -0.52 0.00 0.00 37.83 36.02 3hjw s LYS 259 CO 0.09 -1.01 1.67 -0.44 -0.92 0.00 0.00 175.35 174.74 3hjw h ASP 260 N 1.39 0.39 0.74 2.83 5.19 -1.90 -0.83 116.42 124.22 3hjw h ASP 260 Ca -0.50 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 3hjw h ASP 260 Cb 1.28 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3hjw h ASP 260 CO 0.57 -0.11 0.00 -1.54 -3.12 0.00 0.00 179.24 175.04 3hjw n SER 261 N -5.08 0.31 0.03 6.45 3.41 -1.26 -2.83 113.62 114.64 3hjw n SER 261 Ca 0.28 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.56 3hjw n SER 261 Cb 0.86 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 3hjw n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjw n ALA 262 N -1.62 3.12 0.13 7.33 0.00 -0.32 -4.57 120.51 124.58 3hjw n ALA 262 Ca 0.04 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 3hjw n ALA 262 Cb 0.24 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 3hjw n ALA 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hjw h VAL 263 N 0.00 0.83 -0.54 0.00 2.07 -1.48 -1.89 116.25 115.25 3hjw h VAL 263 Ca 0.00 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3hjw h VAL 263 Cb 0.87 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3hjw h VAL 263 CO 0.00 0.05 0.12 0.00 0.02 0.00 0.00 177.57 177.76 3hjw h ALA 264 N 0.36 1.19 0.43 1.67 0.00 -1.80 -0.85 119.26 120.26 3hjw h ALA 264 Ca -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hjw h ALA 264 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hjw h ALA 264 CO 0.05 0.55 -0.22 0.00 0.00 0.00 0.00 179.25 179.63 3hjw h ALA 265 N 1.33 -0.59 -0.85 0.00 0.00 -1.81 -1.35 119.26 115.99 3hjw h ALA 265 Ca 0.17 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3hjw h ALA 265 Cb 0.31 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3hjw h ALA 265 CO 0.00 -0.83 0.46 0.28 0.00 0.00 0.00 179.25 179.16 3hjw h VAL 266 N -0.59 0.81 0.00 0.00 2.07 -1.03 0.19 116.25 117.70 3hjw h VAL 266 Ca -0.06 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hjw h VAL 266 Cb 0.46 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3hjw h VAL 266 CO 0.09 0.13 0.00 0.71 0.02 0.00 0.00 177.57 178.52 3hjw h THR 267 N 0.71 0.00 -0.37 2.57 1.35 -0.71 -1.18 112.91 115.28 3hjw h THR 267 Ca 0.44 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 3hjw h THR 267 Cb 0.52 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3hjw h THR 267 CO -0.31 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.37 3hjw n HIS 268 N -2.85 0.48 -0.55 4.73 8.25 0.54 -4.80 115.22 121.03 3hjw n HIS 268 Ca -0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3hjw n HIS 268 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3hjw n HIS 268 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hjw n GLY 269 N 1.28 0.67 3.76 -1.41 0.00 -0.45 -5.06 105.19 103.98 3hjw n GLY 269 Ca 0.17 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3hjw n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjw s ALA 270 N -2.00 3.46 0.63 4.61 0.00 -0.42 -4.96 121.76 123.09 3hjw s ALA 270 Ca 0.00 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 3hjw s ALA 270 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3hjw s ALA 270 CO 0.00 -0.41 1.13 -0.51 0.00 0.00 0.00 175.76 175.97 3hjw s ASP 271 N -0.43 5.17 -0.30 0.00 1.01 -1.26 -4.26 116.67 116.60 3hjw s ASP 271 Ca 0.49 2.10 -0.20 0.00 0.71 0.00 0.00 52.55 55.66 3hjw s ASP 271 Cb -0.35 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.00 3hjw s ASP 271 CO 0.44 -1.59 0.60 -0.22 0.21 0.00 0.00 175.17 174.61 3hjw s LEU 272 N -4.58 4.14 0.28 1.23 2.96 -0.44 -4.90 118.68 117.37 3hjw s LEU 272 Ca 0.70 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 55.01 3hjw s LEU 272 Cb -0.23 -2.78 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 3hjw s LEU 272 CO 0.38 -0.44 0.52 0.00 -1.32 0.00 0.00 176.35 175.49 3hjw s ALA 273 N 2.54 3.68 0.31 5.97 0.00 -1.26 -0.04 121.76 132.95 3hjw s ALA 273 Ca 0.24 -0.67 0.08 0.00 0.00 0.00 0.00 51.96 51.62 3hjw s ALA 273 Cb -0.15 -2.21 0.89 0.00 0.00 0.00 0.00 23.12 21.65 3hjw s ALA 273 CO 0.11 0.24 1.67 0.28 0.00 0.00 0.00 175.76 178.06 3hjw h VAL 274 N 1.29 0.36 0.00 0.00 2.07 -1.66 -0.72 116.25 117.59 3hjw h VAL 274 Ca -0.48 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3hjw h VAL 274 Cb 1.19 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3hjw h VAL 274 CO 0.66 0.06 0.00 -2.65 0.02 0.00 0.00 177.57 175.66 3hjw n PRO 275 N -5.08 0.12 0.00 1.57 -0.02 -1.26 -1.89 135.00 128.44 3hjw n PRO 275 Ca 0.27 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3hjw n PRO 275 Cb 0.81 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 33.07 3hjw n PRO 275 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjw n GLY 276 N -0.31 -1.21 3.72 -1.23 0.00 -0.27 -4.94 105.19 100.94 3hjw n GLY 276 Ca 0.05 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3hjw n GLY 276 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hjw s ILE 277 N -2.96 4.95 -0.25 -0.61 1.01 -0.79 -0.41 121.20 122.14 3hjw s ILE 277 Ca 0.12 1.70 -0.01 0.00 0.00 0.00 0.00 60.65 62.46 3hjw s ILE 277 Cb 0.18 -4.15 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 3hjw s ILE 277 CO 0.68 0.23 -0.24 0.00 0.00 0.00 0.00 174.94 175.60 3hjw n ALA 278 N 3.73 1.44 -2.50 9.38 0.00 0.33 -4.23 120.51 128.66 3hjw n ALA 278 Ca 0.01 -1.05 -0.09 0.00 0.00 0.00 0.00 53.44 52.32 3hjw n ALA 278 Cb 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 3hjw n ALA 278 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hjw s LYS 279 N -2.49 0.97 0.05 0.00 1.02 -0.96 -0.87 119.74 117.46 3hjw s LYS 279 Ca -0.34 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.21 3hjw s LYS 279 Cb 0.10 0.32 0.07 0.00 -0.52 0.00 0.00 37.83 37.80 3hjw s LYS 279 CO 0.54 -0.32 0.64 -0.48 -0.92 0.00 0.00 175.35 174.82 3hjw s LEU 280 N -2.95 -0.61 0.50 3.17 2.34 -0.37 0.10 118.68 120.85 3hjw s LEU 280 Ca 0.14 0.36 -0.22 0.00 0.06 0.00 0.00 54.13 54.48 3hjw s LEU 280 Cb 0.05 2.57 -0.06 0.00 -0.56 0.00 0.00 46.19 48.18 3hjw s LEU 280 CO -0.04 -0.79 1.18 -1.00 -1.06 0.00 0.00 176.35 174.64 3hjw s HIS 281 N -2.46 2.73 0.45 3.48 3.76 -0.23 0.78 115.29 123.81 3hjw s HIS 281 Ca -0.05 1.52 -0.23 0.00 -0.15 0.00 0.00 55.06 56.15 3hjw s HIS 281 Cb -0.00 -3.40 -0.08 0.00 1.11 0.00 0.00 32.58 30.20 3hjw s HIS 281 CO -0.01 -1.71 1.11 0.00 -0.85 0.00 0.00 174.74 173.28 3hjw s ALA 282 N -1.59 2.98 0.00 -1.40 0.00 0.30 -4.27 121.76 117.78 3hjw s ALA 282 Ca 0.68 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3hjw s ALA 282 Cb -0.29 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3hjw s ALA 282 CO 0.34 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3hjw n GLY 283 N 0.31 0.76 3.71 0.00 0.00 -1.26 -4.63 105.19 104.08 3hjw n GLY 283 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3hjw n GLY 283 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hjw s ILE 284 N -2.22 3.11 0.23 -0.61 1.01 -1.26 -4.90 121.20 116.57 3hjw s ILE 284 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.44 3hjw s ILE 284 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3hjw s ILE 284 CO 0.00 0.03 0.13 -0.54 0.00 0.00 0.00 174.94 174.57 3hjw s LYS 285 N 1.68 2.76 0.27 2.79 1.02 -1.26 -1.09 119.74 125.91 3hjw s LYS 285 Ca 0.68 -1.09 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 3hjw s LYS 285 Cb -0.39 -2.49 -0.12 0.00 -0.52 0.00 0.00 37.83 34.31 3hjw s LYS 285 CO 0.30 0.41 1.54 0.54 -0.92 0.00 0.00 175.35 177.23 3hjw n ARG 286 N -0.90 2.47 0.00 1.68 1.74 -1.26 -2.23 116.66 118.16 3hjw n ARG 286 Ca -0.08 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 3hjw n ARG 286 Cb 0.57 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 3hjw n ARG 286 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hjw n GLY 287 N 2.32 1.75 3.77 -0.13 0.00 0.34 -4.97 105.19 108.27 3hjw n GLY 287 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3hjw n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hjw s ASP 288 N -2.58 6.69 0.07 1.61 1.01 -0.94 -4.62 116.67 117.90 3hjw s ASP 288 Ca 0.00 2.56 -0.31 0.00 0.71 0.00 0.00 52.55 55.52 3hjw s ASP 288 Cb 0.00 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 3hjw s ASP 288 CO 0.00 -0.58 1.45 -0.22 0.21 0.00 0.00 175.17 176.03 3hjw s LEU 289 N -2.01 4.35 0.10 1.23 2.96 -1.26 -1.33 118.68 122.71 3hjw s LEU 289 Ca 0.51 2.29 0.06 0.00 -0.22 0.00 0.00 54.13 56.78 3hjw s LEU 289 Cb -0.37 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.72 3hjw s LEU 289 CO 0.48 -0.72 -0.16 0.68 -1.32 0.00 0.00 176.35 175.31 3hjw s VAL 290 N 1.83 1.33 -0.19 1.68 -7.23 0.37 -4.36 120.40 113.83 3hjw s VAL 290 Ca 0.66 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 3hjw s VAL 290 Cb -0.36 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3hjw s VAL 290 CO 0.29 -0.25 0.09 0.00 -0.31 0.00 0.00 175.10 174.93 3hjw s ALA 291 N -1.52 3.51 -0.27 1.32 0.00 -0.31 -1.12 121.76 123.38 3hjw s ALA 291 Ca 0.04 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 3hjw s ALA 291 Cb -0.08 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3hjw s ALA 291 CO 0.03 0.13 0.36 0.42 0.00 0.00 0.00 175.76 176.71 3hjw s ILE 292 N 0.44 5.18 0.16 0.00 1.01 0.35 -1.54 121.20 126.80 3hjw s ILE 292 Ca 0.05 0.55 0.10 0.00 0.00 0.00 0.00 60.65 61.35 3hjw s ILE 292 Cb -0.12 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3hjw s ILE 292 CO -0.00 0.17 -0.16 -0.04 0.00 0.00 0.00 174.94 174.90 3hjw s MET 293 N 2.01 1.82 0.77 2.79 -1.94 0.08 -0.83 119.30 124.00 3hjw s MET 293 Ca 0.15 -1.31 -0.10 0.00 -1.71 0.00 0.00 55.69 52.72 3hjw s MET 293 Cb -0.16 -2.06 0.07 0.00 2.01 0.00 0.00 34.83 34.69 3hjw s MET 293 CO 0.10 0.44 1.12 0.95 -0.01 0.00 0.00 175.02 177.62 3hjw s THR 294 N -1.50 2.15 -0.86 2.05 -4.23 -0.43 -0.69 115.64 112.12 3hjw s THR 294 Ca 0.21 -0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.75 3hjw s THR 294 Cb -0.09 -3.02 0.10 0.00 1.34 0.00 0.00 72.50 70.83 3hjw s THR 294 CO 0.12 -0.02 1.35 0.18 -0.54 0.00 0.00 174.62 175.71 3hjw n LEU 295 N -3.17 0.14 -0.91 4.79 4.77 -1.24 -0.57 117.00 120.81 3hjw n LEU 295 Ca 0.08 0.55 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 3hjw n LEU 295 Cb 0.61 -0.54 0.27 0.00 -2.33 0.00 0.00 43.42 41.42 3hjw n LEU 295 CO 0.55 -0.45 0.72 0.29 -1.33 0.00 0.00 177.39 177.18 3hjw n LYS 296 N -1.67 2.17 -3.33 3.23 5.02 -1.26 -4.95 118.16 117.37 3hjw n LYS 296 Ca 0.02 -1.79 -0.21 0.00 -2.02 0.00 0.00 58.31 54.31 3hjw n LYS 296 Cb 0.10 -1.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3hjw n LYS 296 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hjw n ASP 297 N 0.97 -5.80 -4.83 4.39 8.00 0.27 -4.73 116.55 114.81 3hjw n ASP 297 Ca 0.18 -0.42 -0.37 0.00 0.71 0.00 0.00 54.79 54.89 3hjw n ASP 297 Cb 0.46 -4.47 -0.06 0.00 -0.02 0.00 0.00 41.12 37.03 3hjw n ASP 297 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hjw s GLU 298 N -6.00 4.01 -0.26 -1.24 2.02 -1.26 -4.79 118.70 111.18 3hjw s GLU 298 Ca 0.45 0.52 -0.29 0.00 0.02 0.00 0.00 54.97 55.67 3hjw s GLU 298 Cb -0.20 -3.08 -0.00 0.00 0.10 0.00 0.00 34.13 30.95 3hjw s GLU 298 CO 0.56 0.58 1.27 -1.17 0.02 0.00 0.00 175.26 176.52 3hjw s LEU 299 N -1.53 3.97 -0.14 1.80 2.96 -1.26 -1.32 118.68 123.15 3hjw s LEU 299 Ca 0.32 1.34 -0.10 0.00 -0.22 0.00 0.00 54.13 55.46 3hjw s LEU 299 Cb -0.17 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 3hjw s LEU 299 CO 0.18 -0.97 -0.03 0.58 -1.32 0.00 0.00 176.35 174.79 3hjw h VAL 300 N 5.81 0.23 -2.91 1.68 2.07 -1.33 -3.35 116.25 118.44 3hjw h VAL 300 Ca -0.26 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.06 3hjw h VAL 300 Cb 1.10 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.29 3hjw h VAL 300 CO 1.01 0.08 0.25 0.00 0.02 0.00 0.00 177.57 178.94 3hjw s ALA 301 N -2.61 -1.45 0.03 1.67 0.00 -1.13 -1.44 121.76 116.83 3hjw s ALA 301 Ca -0.14 0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3hjw s ALA 301 Cb 0.02 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 3hjw s ALA 301 CO 0.25 -0.90 0.01 -0.51 0.00 0.00 0.00 175.76 174.61 3hjw s LEU 302 N -2.82 3.53 0.00 0.00 1.02 0.77 -0.50 118.68 120.67 3hjw s LEU 302 Ca 0.06 -0.05 -0.10 0.00 0.02 0.00 0.00 54.13 54.06 3hjw s LEU 302 Cb -0.03 -2.10 0.04 0.00 0.02 0.00 0.00 46.19 44.11 3hjw s LEU 302 CO -0.03 0.24 0.68 0.61 0.02 0.00 0.00 176.35 177.87 3hjw n GLY 303 N 1.10 1.36 3.19 -3.19 0.00 -0.27 -1.87 105.19 105.51 3hjw n GLY 303 Ca -0.13 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 3hjw n GLY 303 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hjw s LYS 304 N -2.32 3.02 0.19 1.61 2.20 -0.44 -0.48 119.74 123.52 3hjw s LYS 304 Ca 0.20 -0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 3hjw s LYS 304 Cb -0.04 -2.36 -0.10 0.00 -1.51 0.00 0.00 37.83 33.83 3hjw s LYS 304 CO 0.15 0.08 1.52 0.00 -0.36 0.00 0.00 175.35 176.74 3hjw s ALA 305 N 0.58 3.72 -0.44 3.13 0.00 -0.44 -0.64 121.76 127.66 3hjw s ALA 305 Ca -0.13 1.35 0.16 0.00 0.00 0.00 0.00 51.96 53.34 3hjw s ALA 305 Cb -0.17 -3.60 -0.21 0.00 0.00 0.00 0.00 23.12 19.15 3hjw s ALA 305 CO 0.04 -0.77 0.54 -1.33 0.00 0.00 0.00 175.76 174.24 3hjw n MET 306 N 3.38 1.24 -4.35 0.00 0.00 0.36 -0.50 117.12 117.24 3hjw n MET 306 Ca 0.11 -0.06 -0.18 0.00 0.00 0.00 0.00 57.70 57.57 3hjw n MET 306 Cb 0.39 -1.31 -0.10 0.00 0.00 0.00 0.00 33.22 32.20 3hjw n MET 306 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3hjw s MET 307 N -2.76 1.42 0.52 0.03 -1.94 -1.19 -4.88 119.30 110.50 3hjw s MET 307 Ca 0.01 -1.74 -0.06 0.00 -1.71 0.00 0.00 55.69 52.19 3hjw s MET 307 Cb 0.11 -0.62 -0.02 0.00 2.01 0.00 0.00 34.83 36.31 3hjw s MET 307 CO 0.66 -0.15 0.84 0.95 -0.01 0.00 0.00 175.02 177.31 3hjw s THR 308 N -3.44 4.51 0.22 2.05 -4.23 -1.26 -3.98 115.64 109.50 3hjw s THR 308 Ca 0.32 0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 3hjw s THR 308 Cb 0.07 -3.74 0.25 0.00 1.34 0.00 0.00 72.50 70.42 3hjw s THR 308 CO 0.11 -0.75 1.62 0.28 -0.54 0.00 0.00 174.62 175.34 3hjw h SER 309 N 0.07 -0.62 -0.19 3.99 0.02 -1.42 -1.65 113.55 113.75 3hjw h SER 309 Ca -0.46 0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 3hjw h SER 309 Cb 1.22 0.41 -0.02 0.00 0.14 0.00 0.00 62.40 64.16 3hjw h SER 309 CO 0.61 -0.22 -0.04 1.56 -1.14 0.00 0.00 176.83 177.60 3hjw h GLN 310 N -0.00 0.50 -0.20 3.45 1.08 -1.93 -2.13 115.11 115.87 3hjw h GLN 310 Ca 0.32 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3hjw h GLN 310 Cb 0.48 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3hjw h GLN 310 CO -0.68 0.56 -0.08 0.93 -0.95 0.00 0.00 178.83 178.61 3hjw h GLU 311 N 0.47 0.40 -0.86 1.46 5.08 -1.72 0.45 114.58 119.85 3hjw h GLU 311 Ca 0.10 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3hjw h GLU 311 Cb 0.38 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 3hjw h GLU 311 CO 0.02 0.68 0.56 0.52 -1.00 0.00 0.00 179.01 179.78 3hjw h MET 312 N 0.10 0.90 -0.20 2.33 2.86 -1.19 -1.25 114.93 118.48 3hjw h MET 312 Ca 0.05 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.43 3hjw h MET 312 Cb 0.55 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.01 3hjw h MET 312 CO 0.03 0.60 -0.67 1.25 1.06 0.00 0.00 176.91 179.18 3hjw h LEU 313 N 0.93 0.94 0.00 1.22 5.85 -1.20 -3.33 115.31 119.71 3hjw h LEU 313 Ca 0.38 -0.59 -0.16 0.00 0.84 0.00 0.00 57.88 58.35 3hjw h LEU 313 Cb 0.27 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3hjw h LEU 313 CO -0.14 1.37 -0.85 1.05 -0.34 0.00 0.00 178.44 179.53 3hjw h GLU 314 N 0.56 0.00 -6.85 1.25 4.11 -0.53 -3.48 114.58 109.64 3hjw h GLU 314 Ca -0.03 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.95 3hjw h GLU 314 Cb 1.29 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.58 3hjw h GLU 314 CO 0.14 0.62 -0.01 0.15 0.07 0.00 0.00 179.01 179.98 3hjw s LYS 315 N -2.86 2.76 0.00 1.06 1.02 -0.51 -5.04 119.74 116.17 3hjw s LYS 315 Ca 0.02 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3hjw s LYS 315 Cb 0.08 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3hjw s LYS 315 CO 0.78 -0.58 0.00 0.25 -0.92 0.00 0.00 175.35 174.88 3hjw n THR 316 N -2.31 0.00 -3.94 2.17 -2.24 -1.26 -4.92 114.28 101.78 3hjw n THR 316 Ca 0.05 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 3hjw n THR 316 Cb 0.59 0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 3hjw n THR 316 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hjw s LYS 317 N -1.09 0.94 0.00 -0.78 1.02 -1.26 -4.28 119.74 114.30 3hjw s LYS 317 Ca 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 54.89 3hjw s LYS 317 Cb 0.00 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 3hjw s LYS 317 CO 0.00 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 3hjw n GLY 318 N -0.11 2.79 3.65 -3.33 0.00 -1.26 -4.80 105.19 102.13 3hjw n GLY 318 Ca -0.11 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 3hjw n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hjw s ILE 319 N -2.87 4.46 -0.12 -0.61 -1.09 -1.26 -1.78 121.20 117.93 3hjw s ILE 319 Ca 0.00 1.71 -0.18 0.00 -2.23 0.00 0.00 60.65 59.95 3hjw s ILE 319 Cb 0.00 -4.29 -0.26 0.00 -1.58 0.00 0.00 42.46 36.33 3hjw s ILE 319 CO 0.00 -0.36 0.54 0.00 -1.23 0.00 0.00 174.94 173.89 3hjw h ALA 320 N 8.14 0.17 -3.51 9.38 0.00 -0.76 -3.41 119.26 129.27 3hjw h ALA 320 Ca -0.22 -1.04 -0.34 0.00 0.00 0.00 0.00 54.91 53.31 3hjw h ALA 320 Cb 1.07 0.46 -0.34 0.00 0.00 0.00 0.00 17.79 18.98 3hjw h ALA 320 CO 1.01 0.73 -0.75 0.08 0.00 0.00 0.00 179.25 180.33 3hjw s VAL 321 N -2.44 0.17 -0.37 0.00 1.01 -0.84 -0.49 120.40 117.43 3hjw s VAL 321 Ca -0.21 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 3hjw s VAL 321 Cb 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.18 3hjw s VAL 321 CO 0.74 0.14 1.10 -0.62 0.00 0.00 0.00 175.10 176.45 3hjw s ASP 322 N 0.97 6.83 -0.27 3.32 -1.08 0.19 -1.33 116.67 125.30 3hjw s ASP 322 Ca -0.10 0.85 -0.29 0.00 -0.52 0.00 0.00 52.55 52.49 3hjw s ASP 322 Cb -0.13 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.79 3hjw s ASP 322 CO -0.02 -1.01 1.08 -0.69 0.52 0.00 0.00 175.17 175.05 3hjw s VAL 323 N 3.93 4.55 -0.04 1.11 1.01 -1.26 -1.33 120.40 128.37 3hjw s VAL 323 Ca 0.46 1.83 0.04 0.00 0.00 0.00 0.00 61.98 64.31 3hjw s VAL 323 Cb -0.10 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 3hjw s VAL 323 CO 0.21 -0.34 0.03 -0.62 0.00 0.00 0.00 175.10 174.38 3hjw n GLU 324 N 6.65 2.78 -3.69 2.72 1.02 -0.78 -4.92 120.64 124.41 3hjw n GLU 324 Ca 0.12 -0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.05 3hjw n GLU 324 Cb 0.46 -1.11 -0.18 0.00 -0.02 0.00 0.00 31.44 30.60 3hjw n GLU 324 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3hjw s LYS 325 N -2.14 -0.02 -0.17 3.49 -0.14 -0.91 -5.00 119.74 114.85 3hjw s LYS 325 Ca -0.02 0.34 -0.02 0.00 -1.36 0.00 0.00 55.97 54.91 3hjw s LYS 325 Cb 0.02 -0.53 -0.01 0.00 -1.68 0.00 0.00 37.83 35.62 3hjw s LYS 325 CO 0.18 -0.32 -0.09 0.08 -0.76 0.00 0.00 175.35 174.44 3hjw s VAL 326 N 2.08 3.27 -0.17 3.17 1.01 -1.26 -0.17 120.40 128.32 3hjw s VAL 326 Ca 0.04 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3hjw s VAL 326 Cb -0.12 -2.43 -0.16 0.00 0.00 0.00 0.00 36.38 33.68 3hjw s VAL 326 CO -0.03 0.48 -0.07 0.49 0.00 0.00 0.00 175.10 175.98 3hjw n PHE 327 N 4.03 0.00 -2.53 5.22 3.01 -0.52 -4.99 117.46 121.68 3hjw n PHE 327 Ca -0.18 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.86 3hjw n PHE 327 Cb 0.52 -0.75 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 3hjw n PHE 327 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3hjw s MET 328 N -2.38 4.47 0.71 -1.08 1.75 -0.89 -5.01 119.30 116.87 3hjw s MET 328 Ca -0.17 1.64 -0.16 0.00 -1.25 0.00 0.00 55.69 55.74 3hjw s MET 328 Cb 0.06 -3.40 0.02 0.00 2.84 0.00 0.00 34.83 34.35 3hjw s MET 328 CO 0.53 -0.20 1.26 -2.30 -0.65 0.00 0.00 175.02 173.66 3hjw n PRO 329 N 4.00 0.77 0.24 4.11 -0.02 -1.26 -4.87 135.00 137.97 3hjw n PRO 329 Ca 0.08 0.33 0.16 0.00 -2.02 0.00 0.00 63.50 62.05 3hjw n PRO 329 Cb 0.48 -2.50 0.69 0.00 -0.02 0.00 0.00 33.50 32.16 3hjw n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hjw h ARG 330 N 0.00 0.00 -0.56 -0.52 3.08 -1.95 -3.15 114.38 111.29 3hjw h ARG 330 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3hjw h ARG 330 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3hjw h ARG 330 CO 0.50 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.00 3hjw n ASP 331 N -2.82 3.67 0.06 7.04 5.75 -1.26 -4.35 116.55 124.63 3hjw n ASP 331 Ca 0.00 -2.00 -0.11 0.00 -0.01 0.00 0.00 54.79 52.68 3hjw n ASP 331 Cb 0.25 -0.37 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 3hjw n ASP 331 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 3hjw h TRP 332 N 4.37 0.56 -3.89 2.11 4.06 -1.93 -3.44 115.95 117.79 3hjw h TRP 332 Ca 0.00 -0.28 -0.69 0.00 2.06 0.00 0.00 58.89 59.98 3hjw h TRP 332 Cb 0.98 -0.08 -0.22 0.00 -1.00 0.00 0.00 29.16 28.85 3hjw h TRP 332 CO 0.37 1.06 -0.86 0.71 -3.56 0.00 0.00 178.44 176.16 3hjw s TYR 333 N -3.45 2.33 0.53 0.49 1.51 -1.26 -1.77 117.35 115.74 3hjw s TYR 333 Ca -0.06 -0.37 -0.18 0.00 -1.01 0.00 0.00 57.07 55.45 3hjw s TYR 333 Cb 0.10 -1.26 -0.06 0.00 -0.11 0.00 0.00 41.96 40.63 3hjw s TYR 333 CO 0.85 0.34 1.04 -2.14 -1.11 0.00 0.00 175.55 174.54 3hjw s PRO 334 N -2.07 3.61 -1.02 -1.71 0.02 -1.26 -4.73 135.00 127.84 3hjw s PRO 334 Ca 0.14 1.25 -0.23 0.00 0.02 0.00 0.00 61.00 62.18 3hjw s PRO 334 Cb -0.10 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.36 3hjw s PRO 334 CO 0.06 -0.58 1.66 0.15 -0.33 0.00 0.00 177.00 177.96 3hjw s LYS 335 N -3.68 3.25 0.29 5.54 1.02 -1.26 -4.54 119.74 120.35 3hjw s LYS 335 Ca 0.65 -0.94 0.25 0.00 0.02 0.00 0.00 55.97 55.95 3hjw s LYS 335 Cb -0.15 -5.28 0.74 0.00 -0.52 0.00 0.00 37.83 32.62 3hjw s LYS 335 CO 0.28 -2.67 1.74 -0.07 -0.92 0.00 0.00 175.35 173.71 3hjw h LEU 336 N 14.62 0.00 0.00 3.17 4.07 -1.92 -3.52 115.31 131.73 3hjw h LEU 336 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 3hjw h LEU 336 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3hjw h LEU 336 CO 1.35 0.00 0.00 -2.67 -1.08 0.00 0.00 178.44 176.04