#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4xia s GLN 3 N 0.00 0.57 0.33 7.34 -1.52 -1.26 -4.94 119.66 120.17 4xia s GLN 3 Ca 0.00 0.12 -0.28 0.00 -1.95 0.00 0.00 55.36 53.25 4xia s GLN 3 Cb 0.00 -0.92 -0.09 0.00 -0.22 0.00 0.00 33.01 31.77 4xia s GLN 3 CO 0.00 -0.29 1.13 -1.25 -0.25 0.00 0.00 175.29 174.63 4xia s PRO 4 N 1.92 4.42 0.26 2.91 0.04 -1.26 -5.03 135.00 138.25 4xia s PRO 4 Ca 0.04 1.83 0.09 0.00 0.04 0.00 0.00 61.00 62.99 4xia s PRO 4 Cb -0.12 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 4xia s PRO 4 CO -0.05 0.01 -0.14 0.95 0.04 0.00 0.00 177.00 177.81 4xia s THR 5 N -1.28 2.00 0.27 1.26 -4.23 -1.26 -4.67 115.64 107.73 4xia s THR 5 Ca 0.49 -2.25 0.30 0.00 -1.18 0.00 0.00 61.69 59.06 4xia s THR 5 Cb -0.31 -2.29 0.30 0.00 1.34 0.00 0.00 72.50 71.54 4xia s THR 5 CO 0.40 -0.42 1.92 -0.65 -0.54 0.00 0.00 174.62 175.33 4xia h PRO 6 N 2.34 0.00 0.00 3.99 0.11 -1.82 -0.28 132.00 136.35 4xia h PRO 6 Ca -0.40 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 4xia h PRO 6 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 4xia h PRO 6 CO 0.64 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 178.31 4xia h ALA 7 N 1.80 1.10 0.00 -0.75 0.00 -1.95 -2.83 119.26 116.63 4xia h ALA 7 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 4xia h ALA 7 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 4xia h ALA 7 CO 0.00 0.14 -0.68 -0.44 0.00 0.00 0.00 179.25 178.27 4xia h ASP 8 N 0.00 0.00 -3.72 0.00 3.45 -1.41 -3.48 116.42 111.26 4xia h ASP 8 Ca -0.00 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.23 4xia h ASP 8 Cb 0.48 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 39.33 4xia h ASP 8 CO 0.01 0.68 -0.39 1.41 -1.57 0.00 0.00 179.24 179.39 4xia n HIS 9 N -3.60 -1.63 -2.80 4.55 8.25 -1.07 -4.73 115.22 114.19 4xia n HIS 9 Ca -0.01 0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 57.60 4xia n HIS 9 Cb 0.70 -3.30 -0.03 0.00 1.12 0.00 0.00 29.99 28.47 4xia n HIS 9 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 4xia s PHE 10 N -3.17 3.43 0.18 4.41 0.08 -1.26 -1.20 117.98 120.45 4xia s PHE 10 Ca 0.33 1.38 0.11 0.00 0.12 0.00 0.00 56.93 58.86 4xia s PHE 10 Cb -0.14 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 4xia s PHE 10 CO 0.41 -0.29 -0.23 0.95 -0.10 0.00 0.00 175.22 175.96 4xia s THR 11 N 2.33 2.20 0.02 0.64 -4.23 -0.63 -0.64 115.64 115.33 4xia s THR 11 Ca 0.42 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 4xia s THR 11 Cb -0.17 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 4xia s THR 11 CO 0.12 -0.14 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.67 4xia s PHE 12 N -1.67 0.33 0.38 3.99 0.40 -0.99 -2.09 117.98 118.34 4xia s PHE 12 Ca 0.18 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 4xia s PHE 12 Cb -0.08 -0.21 -0.05 0.00 0.51 0.00 0.00 43.02 43.18 4xia s PHE 12 CO 0.09 -0.10 0.70 0.20 0.70 0.00 0.00 175.22 176.81 4xia s GLY 13 N -0.99 1.82 0.29 4.36 0.00 -1.25 -1.18 107.32 110.36 4xia s GLY 13 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.25 4xia s GLY 13 CO -0.00 -0.23 1.83 -2.00 0.00 0.00 0.00 173.10 172.70 4xia h LEU 14 N 1.17 0.70 -1.53 0.66 5.85 -1.52 -1.99 115.31 118.65 4xia h LEU 14 Ca -0.47 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.12 4xia h LEU 14 Cb 1.19 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.04 4xia h LEU 14 CO 0.64 0.72 0.00 4.11 -0.34 0.00 0.00 178.44 183.57 4xia h TRP 15 N 0.71 0.00 0.02 1.25 0.09 -1.93 0.12 115.95 116.22 4xia h TRP 15 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 59.13 4xia h TRP 15 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.56 4xia h TRP 15 CO 0.02 0.00 -0.01 1.79 0.09 0.00 0.00 178.44 180.32 4xia h THR 16 N 0.00 0.00 0.00 0.12 1.35 -1.56 -1.79 112.91 111.03 4xia h THR 16 Ca 0.00 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.70 4xia h THR 16 Cb 0.32 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 4xia h THR 16 CO 0.00 0.00 -0.17 -0.37 -0.25 0.00 0.00 175.52 174.73 4xia h VAL 17 N -0.16 0.80 0.00 6.82 -1.51 -1.70 -2.09 116.25 118.42 4xia h VAL 17 Ca -0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 4xia h VAL 17 Cb 0.02 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 4xia h VAL 17 CO 0.01 0.17 0.00 0.61 -1.23 0.00 0.00 177.57 177.13 4xia n GLY 18 N -0.70 -1.33 3.65 5.19 0.00 0.03 -4.82 105.19 107.20 4xia n GLY 18 Ca -0.02 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 4xia n GLY 18 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 4xia n TRP 19 N -1.71 2.40 0.59 1.61 -0.00 -0.67 -4.60 117.44 115.06 4xia n TRP 19 Ca 0.05 -0.32 0.13 0.00 -0.00 0.00 0.00 57.50 57.36 4xia n TRP 19 Cb 0.28 -2.79 0.31 0.00 -0.00 0.00 0.00 31.31 29.12 4xia n TRP 19 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 4xia h THR 20 N 5.93 0.00 0.00 5.87 2.02 -1.87 -3.46 112.91 121.40 4xia h THR 20 Ca -0.48 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.19 4xia h THR 20 Cb 1.24 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 4xia h THR 20 CO 0.94 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.44 4xia n GLY 21 N 1.31 0.77 3.77 2.16 0.00 -1.26 -0.82 105.19 111.12 4xia n GLY 21 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 4xia n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4xia s ALA 22 N -2.00 3.28 0.00 4.61 0.00 -1.26 -4.37 121.76 122.01 4xia s ALA 22 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 4xia s ALA 22 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 4xia s ALA 22 CO 0.00 0.20 0.00 -0.40 0.00 0.00 0.00 175.76 175.56 4xia n ASP 23 N 0.88 0.09 0.29 0.00 5.68 -0.45 -4.95 116.55 118.10 4xia n ASP 23 Ca 0.00 -0.98 0.15 0.00 -0.50 0.00 0.00 54.79 53.46 4xia n ASP 23 Cb 0.49 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.34 4xia n ASP 23 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 4xia h PRO 24 N 0.00 0.00 -0.10 0.11 0.11 -2.02 -3.18 132.00 126.93 4xia h PRO 24 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 4xia h PRO 24 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 4xia h PRO 24 CO 0.00 0.03 0.00 1.19 -0.21 0.00 0.00 178.00 179.01 4xia n PHE 25 N -3.79 0.15 -3.54 0.65 3.01 -1.26 -5.08 117.46 107.59 4xia n PHE 25 Ca -0.03 -0.55 -0.09 0.00 1.01 0.00 0.00 57.45 57.79 4xia n PHE 25 Cb 0.12 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 4xia n PHE 25 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 4xia s GLY 26 N -1.17 -0.45 0.66 1.37 0.00 -1.20 -5.18 107.32 101.35 4xia s GLY 26 Ca 0.10 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 45.37 4xia s GLY 26 CO 0.04 0.19 0.93 -1.34 0.00 0.00 0.00 173.10 172.92 4xia s VAL 27 N -3.44 2.37 0.36 1.40 -7.23 -1.26 -1.34 120.40 111.26 4xia s VAL 27 Ca 0.05 -0.51 -0.27 0.00 -1.81 0.00 0.00 61.98 59.44 4xia s VAL 27 Cb -0.02 -2.86 -0.12 0.00 0.56 0.00 0.00 36.38 33.94 4xia s VAL 27 CO -0.07 0.00 1.15 0.00 -0.31 0.00 0.00 175.10 175.87 4xia n ALA 28 N -2.70 0.67 0.53 1.32 0.00 -1.26 -4.22 120.51 114.84 4xia n ALA 28 Ca 0.10 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.93 4xia n ALA 28 Cb 0.60 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 4xia n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 4xia n THR 29 N 0.04 0.00 -4.26 0.00 -2.24 0.00 -4.86 114.28 102.96 4xia n THR 29 Ca 0.07 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 4xia n THR 29 Cb 0.36 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 4xia n THR 29 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 4xia s ARG 30 N -1.59 0.93 0.65 -0.78 0.52 -1.03 -5.00 118.95 112.64 4xia s ARG 30 Ca 0.09 -0.94 -0.13 0.00 -0.52 0.00 0.00 55.73 54.24 4xia s ARG 30 Cb 0.09 -0.98 -0.01 0.00 0.52 0.00 0.00 34.95 34.57 4xia s ARG 30 CO 0.32 0.23 1.06 0.00 0.02 0.00 0.00 175.30 176.93 4xia s ALA 31 N -1.12 2.70 0.69 2.13 0.00 -1.26 -4.81 121.76 120.09 4xia s ALA 31 Ca 0.01 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 4xia s ALA 31 Cb -0.09 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.84 4xia s ALA 31 CO 0.02 -1.05 1.25 -0.80 0.00 0.00 0.00 175.76 175.18 4xia s ASN 32 N -3.35 4.36 -0.17 0.00 -0.87 -1.26 -4.92 114.94 108.73 4xia s ASN 32 Ca 0.60 2.50 -0.14 0.00 -1.57 0.00 0.00 52.86 54.25 4xia s ASN 32 Cb -0.15 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.43 4xia s ASN 32 CO 0.47 -2.16 0.32 -0.22 -2.57 0.00 0.00 177.10 172.93 4xia s LEU 33 N -4.78 4.22 0.16 0.60 2.96 -1.26 -5.05 118.68 115.53 4xia s LEU 33 Ca 0.79 0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 54.90 4xia s LEU 33 Cb -0.33 -2.40 -0.08 0.00 0.50 0.00 0.00 46.19 43.87 4xia s LEU 33 CO 0.42 0.06 1.25 -0.62 -1.32 0.00 0.00 176.35 176.15 4xia s ASP 34 N 0.63 7.00 0.40 3.68 3.68 -1.26 -4.93 116.67 125.87 4xia s ASP 34 Ca 0.17 2.25 0.08 0.00 2.13 0.00 0.00 52.55 57.19 4xia s ASP 34 Cb -0.13 -2.60 0.86 0.00 -1.45 0.00 0.00 42.92 39.60 4xia s ASP 34 CO 0.05 -0.47 2.01 -0.65 0.13 0.00 0.00 175.17 176.24 4xia h PRO 35 N 5.77 0.57 -0.41 4.34 0.11 -1.96 -2.13 132.00 138.28 4xia h PRO 35 Ca -0.44 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 4xia h PRO 35 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 4xia h PRO 35 CO 0.78 0.38 0.09 0.28 -0.21 0.00 0.00 178.00 179.32 4xia h VAL 36 N 0.59 1.23 -0.43 3.15 2.07 -1.91 -2.39 116.25 118.56 4xia h VAL 36 Ca 0.24 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 4xia h VAL 36 Cb 0.19 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 4xia h VAL 36 CO -0.07 0.28 0.22 -0.08 0.02 0.00 0.00 177.57 177.94 4xia h GLU 37 N 0.52 0.61 -0.19 1.57 4.81 -1.80 -2.46 114.58 117.65 4xia h GLU 37 Ca 0.13 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 4xia h GLU 37 Cb 0.32 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 4xia h GLU 37 CO 0.00 0.51 -0.17 0.00 -0.73 0.00 0.00 179.01 178.62 4xia h ALA 38 N 1.07 -0.05 -0.38 2.92 0.00 -1.28 0.30 119.26 121.83 4xia h ALA 38 Ca 0.15 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.18 4xia h ALA 38 Cb 0.09 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 4xia h ALA 38 CO -0.02 -0.61 0.11 0.28 0.00 0.00 0.00 179.25 179.02 4xia h VAL 39 N -0.19 0.86 0.05 0.00 2.07 -1.39 -0.43 116.25 117.23 4xia h VAL 39 Ca 0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 4xia h VAL 39 Cb 0.36 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 4xia h VAL 39 CO -0.30 0.05 -0.02 0.45 0.02 0.00 0.00 177.57 177.77 4xia h HIS 40 N 0.26 -0.06 -0.36 1.57 -0.00 -0.89 -2.22 115.15 113.45 4xia h HIS 40 Ca 0.18 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.61 4xia h HIS 40 Cb 0.17 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.54 4xia h HIS 40 CO -0.16 0.32 -0.00 -0.22 -0.00 0.00 0.00 177.93 177.87 4xia h LYS 41 N -0.45 0.09 -0.69 2.45 1.63 -0.31 -0.54 116.57 118.76 4xia h LYS 41 Ca -0.01 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 4xia h LYS 41 Cb 0.41 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 4xia h LYS 41 CO 0.01 0.06 0.16 -0.07 -3.45 0.00 0.00 179.45 176.16 4xia h LEU 42 N 0.10 1.04 -0.53 5.20 3.38 -1.11 -2.27 115.31 121.12 4xia h LEU 42 Ca 0.17 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 4xia h LEU 42 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 4xia h LEU 42 CO -0.30 1.00 0.11 0.00 0.09 0.00 0.00 178.44 179.35 4xia h ALA 43 N 1.12 0.70 -0.12 1.53 0.00 -0.87 -0.47 119.26 121.16 4xia h ALA 43 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 4xia h ALA 43 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 4xia h ALA 43 CO 0.00 0.41 -0.09 0.93 0.00 0.00 0.00 179.25 180.50 4xia h GLU 44 N 0.75 0.18 0.00 0.00 5.08 -0.77 -2.44 114.58 117.39 4xia h GLU 44 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 4xia h GLU 44 Cb 0.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 4xia h GLU 44 CO 0.00 0.29 0.00 1.28 -1.00 0.00 0.00 179.01 179.58 4xia n LEU 45 N -4.33 0.58 0.00 1.33 4.77 -0.88 -4.91 117.00 113.54 4xia n LEU 45 Ca -0.01 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 4xia n LEU 45 Cb 0.22 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 4xia n LEU 45 CO 0.37 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 4xia n GLY 46 N 1.33 1.28 3.68 -0.72 0.00 -0.92 -4.73 105.19 105.12 4xia n GLY 46 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 4xia n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4xia s ALA 47 N -2.00 1.54 -0.22 4.61 0.00 -0.23 -3.71 121.76 121.75 4xia s ALA 47 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.59 4xia s ALA 47 Cb 0.00 -3.45 -0.16 0.00 0.00 0.00 0.00 23.12 19.52 4xia s ALA 47 CO 0.00 -2.68 -0.17 0.98 0.00 0.00 0.00 175.76 173.89 4xia n TYR 48 N -4.14 0.00 -3.96 0.00 4.19 0.19 -4.62 117.16 108.82 4xia n TYR 48 Ca 0.12 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.24 4xia n TYR 48 Cb 0.52 -0.88 -0.04 0.00 0.49 0.00 0.00 39.34 39.43 4xia n TYR 48 CO 0.00 0.00 0.00 0.20 0.91 0.00 0.00 176.86 177.97 4xia s GLY 49 N -6.06 0.42 0.12 2.98 0.00 -1.12 -2.38 107.32 101.27 4xia s GLY 49 Ca -0.28 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 43.75 4xia s GLY 49 CO 0.55 -0.49 -0.17 -1.50 0.00 0.00 0.00 173.10 171.49 4xia s ILE 50 N -3.85 1.51 0.10 0.90 2.07 -0.23 -2.33 121.20 119.37 4xia s ILE 50 Ca 0.20 -1.63 0.02 0.00 -1.41 0.00 0.00 60.65 57.83 4xia s ILE 50 Cb -0.02 -1.52 -0.04 0.00 0.13 0.00 0.00 42.46 41.01 4xia s ILE 50 CO 0.09 -0.25 -0.06 0.42 -1.91 0.00 0.00 174.94 173.23 4xia s THR 51 N -1.66 0.71 0.21 4.00 -4.23 -0.33 -3.84 115.64 110.51 4xia s THR 51 Ca 0.07 -1.94 -0.17 0.00 -1.18 0.00 0.00 61.69 58.47 4xia s THR 51 Cb -0.08 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 72.08 4xia s THR 51 CO 0.04 -0.85 0.53 0.72 -0.54 0.00 0.00 174.62 174.52 4xia s PHE 52 N -3.61 -0.07 0.03 3.99 -0.12 -1.24 -1.12 117.98 115.84 4xia s PHE 52 Ca 0.13 -0.28 -0.12 0.00 -0.05 0.00 0.00 56.93 56.61 4xia s PHE 52 Cb 0.05 0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 4xia s PHE 52 CO -0.04 -0.94 0.38 -1.01 -0.05 0.00 0.00 175.22 173.56 4xia s HIS 53 N -3.89 3.65 0.26 3.49 3.76 -1.26 -1.80 115.29 119.50 4xia s HIS 53 Ca 0.11 0.86 -0.10 0.00 -0.15 0.00 0.00 55.06 55.78 4xia s HIS 53 Cb -0.01 -2.20 0.40 0.00 1.11 0.00 0.00 32.58 31.88 4xia s HIS 53 CO -0.01 0.59 1.57 0.38 -0.85 0.00 0.00 174.74 176.42 4xia h ASP 54 N 4.25 -0.97 0.10 1.40 -0.00 -1.64 0.18 116.42 119.74 4xia h ASP 54 Ca -0.51 0.29 0.00 0.00 -0.00 0.00 0.00 57.03 56.81 4xia h ASP 54 Cb 1.21 0.61 0.00 0.00 -0.00 0.00 0.00 39.33 41.15 4xia h ASP 54 CO 0.64 -0.31 0.00 0.59 -0.00 0.00 0.00 179.24 180.15 4xia n ASN 55 N -5.58 0.00 -0.05 4.15 5.03 -1.25 -1.06 115.26 116.50 4xia n ASN 55 Ca 0.14 -0.72 -0.16 0.00 0.87 0.00 0.00 54.58 54.71 4xia n ASN 55 Cb 0.47 -0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 39.11 4xia n ASN 55 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 4xia h ASP 56 N 0.00 0.82 0.00 6.41 3.45 -1.04 -3.39 116.42 122.68 4xia h ASP 56 Ca 0.00 -0.58 -0.04 0.00 0.43 0.00 0.00 57.03 56.84 4xia h ASP 56 Cb 0.05 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 4xia h ASP 56 CO 0.00 1.25 -0.72 -0.11 -1.57 0.00 0.00 179.24 178.09 4xia n LEU 57 N -4.11 1.83 -4.47 1.55 7.94 -1.13 -4.90 117.00 113.71 4xia n LEU 57 Ca -0.06 0.57 -0.41 0.00 -1.11 0.00 0.00 56.01 55.00 4xia n LEU 57 Cb 0.62 -0.87 -0.11 0.00 0.53 0.00 0.00 43.42 43.59 4xia n LEU 57 CO 0.49 -0.32 -0.13 -0.63 -1.11 0.00 0.00 177.39 175.68 4xia s ILE 58 N -2.34 5.02 0.69 1.96 1.01 -0.22 -5.03 121.20 122.28 4xia s ILE 58 Ca -0.19 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 4xia s ILE 58 Cb 0.03 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 4xia s ILE 58 CO 0.30 -0.11 0.65 -2.65 0.00 0.00 0.00 174.94 173.13 4xia n PRO 59 N 5.08 0.43 -0.20 2.79 -0.02 -1.26 -3.81 135.00 138.00 4xia n PRO 59 Ca -0.12 0.19 -0.04 0.00 -2.02 0.00 0.00 63.50 61.51 4xia n PRO 59 Cb 0.48 -1.91 0.06 0.00 -0.02 0.00 0.00 33.50 32.12 4xia n PRO 59 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 4xia h PHE 60 N -0.17 0.61 -0.39 6.00 3.57 -1.95 -2.60 116.94 122.00 4xia h PHE 60 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 4xia h PHE 60 Cb 1.36 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.91 4xia h PHE 60 CO 0.35 0.32 0.00 -0.40 -2.23 0.00 0.00 178.31 176.35 4xia n ASP 61 N -4.80 3.64 -4.73 0.41 5.75 -1.26 -5.02 116.55 110.55 4xia n ASP 61 Ca 0.06 -2.44 -0.42 0.00 -0.01 0.00 0.00 54.79 51.97 4xia n ASP 61 Cb 0.12 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 4xia n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4xia n ALA 62 N 0.52 2.79 -1.57 2.12 0.00 -0.98 -5.02 120.51 118.36 4xia n ALA 62 Ca 0.17 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.71 4xia n ALA 62 Cb 0.74 -2.51 0.14 0.00 0.00 0.00 0.00 19.45 17.82 4xia n ALA 62 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 4xia s THR 63 N 0.80 1.98 0.19 0.00 -4.23 -1.26 -4.80 115.64 108.32 4xia s THR 63 Ca 0.72 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 4xia s THR 63 Cb -0.50 -2.77 0.10 0.00 1.34 0.00 0.00 72.50 70.67 4xia s THR 63 CO 0.37 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.26 4xia h ALA 64 N -1.51 0.76 0.10 3.99 0.00 -1.99 -1.67 119.26 118.93 4xia h ALA 64 Ca -0.50 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 4xia h ALA 64 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 4xia h ALA 64 CO 0.60 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 4xia h ALA 65 N 1.29 -0.14 -0.33 0.00 0.00 -1.99 -1.61 119.26 116.47 4xia h ALA 65 Ca 0.25 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.12 4xia h ALA 65 Cb 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 4xia h ALA 65 CO -0.14 -0.50 0.00 0.93 0.00 0.00 0.00 179.25 179.54 4xia h GLU 66 N -0.30 0.10 -0.50 0.00 5.08 -1.82 -2.28 114.58 114.86 4xia h GLU 66 Ca -0.01 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 4xia h GLU 66 Cb 0.24 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 4xia h GLU 66 CO 0.02 0.06 0.23 -0.09 -1.00 0.00 0.00 179.01 178.24 4xia h ARG 67 N 0.10 0.44 -0.76 2.33 2.43 -1.07 -1.29 114.38 116.56 4xia h ARG 67 Ca 0.16 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 4xia h ARG 67 Cb 0.22 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 4xia h ARG 67 CO -0.27 0.29 0.47 0.93 -1.51 0.00 0.00 179.97 179.89 4xia h GLU 68 N 0.46 1.03 0.76 0.20 4.39 -0.99 -1.45 114.58 118.97 4xia h GLU 68 Ca 0.22 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 4xia h GLU 68 Cb 0.16 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 4xia h GLU 68 CO -0.18 0.71 -0.41 -0.22 -1.16 0.00 0.00 179.01 177.76 4xia h LYS 69 N 1.04 -1.03 -0.36 2.33 3.11 -0.82 -0.88 116.57 119.96 4xia h LYS 69 Ca 0.27 0.07 0.07 0.00 -2.81 0.00 0.00 60.65 58.25 4xia h LYS 69 Cb -0.06 0.24 -0.06 0.00 -1.00 0.00 0.00 32.23 31.35 4xia h LYS 69 CO -0.05 -0.69 -0.02 0.82 -2.81 0.00 0.00 179.45 176.70 4xia h ILE 70 N -1.07 0.72 -0.66 2.00 2.04 -1.25 0.15 117.51 119.43 4xia h ILE 70 Ca -0.10 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 4xia h ILE 70 Cb 0.84 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 4xia h ILE 70 CO 0.14 0.01 0.27 -0.07 0.00 0.00 0.00 178.15 178.51 4xia h LEU 71 N 0.08 0.89 -0.26 1.44 3.38 -1.21 -0.48 115.31 119.15 4xia h LEU 71 Ca 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 4xia h LEU 71 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 4xia h LEU 71 CO -0.31 0.79 0.04 1.23 0.09 0.00 0.00 178.44 180.28 4xia h GLY 72 N 1.04 0.47 0.96 0.83 0.00 0.05 0.12 103.07 106.54 4xia h GLY 72 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 4xia h GLY 72 CO -0.02 0.29 0.17 -0.55 0.00 0.00 0.00 176.54 176.44 4xia h ASP 73 N 0.24 0.39 -0.21 0.19 3.45 -0.42 -1.01 116.42 119.04 4xia h ASP 73 Ca 0.08 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 4xia h ASP 73 Cb 0.34 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 4xia h ASP 73 CO 0.01 0.36 -0.27 0.15 -1.57 0.00 0.00 179.24 177.91 4xia h PHE 74 N 0.39 0.68 -0.26 4.55 3.57 -0.89 -2.25 116.94 122.72 4xia h PHE 74 Ca 0.11 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 4xia h PHE 74 Cb 0.05 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 4xia h PHE 74 CO -0.03 0.93 0.03 -0.91 -2.23 0.00 0.00 178.31 176.09 4xia h ASN 75 N 0.24 0.35 0.22 0.41 -0.26 -0.71 -1.56 115.58 114.26 4xia h ASN 75 Ca 0.03 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 4xia h ASN 75 Cb 0.84 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.01 4xia h ASN 75 CO 0.06 0.39 -0.11 -0.61 -1.06 0.00 0.00 177.43 176.11 4xia h GLN 76 N 0.38 -0.28 -0.61 0.81 5.75 -1.06 -0.23 115.11 119.85 4xia h GLN 76 Ca 0.09 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.70 4xia h GLN 76 Cb 0.21 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.75 4xia h GLN 76 CO 0.00 -0.12 0.23 0.00 -2.65 0.00 0.00 178.83 176.29 4xia h ALA 77 N 0.38 0.79 -0.37 3.38 0.00 -0.91 0.31 119.26 122.85 4xia h ALA 77 Ca -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 4xia h ALA 77 Cb 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 4xia h ALA 77 CO 0.05 -0.18 0.18 -0.07 0.00 0.00 0.00 179.25 179.23 4xia h LEU 78 N 0.42 0.48 -0.22 0.00 3.38 -1.20 -1.55 115.31 116.62 4xia h LEU 78 Ca 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 4xia h LEU 78 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 4xia h LEU 78 CO -0.30 0.47 0.09 0.00 0.09 0.00 0.00 178.44 178.78 4xia h ALA 79 N 1.03 0.29 -0.83 1.53 0.00 0.15 0.53 119.26 121.96 4xia h ALA 79 Ca 0.13 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.94 4xia h ALA 79 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 4xia h ALA 79 CO -0.02 -0.11 0.55 -0.44 0.00 0.00 0.00 179.25 179.23 4xia h ASP 80 N 0.21 0.92 0.04 0.00 3.45 -0.21 -3.27 116.42 117.55 4xia h ASP 80 Ca 0.07 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.47 4xia h ASP 80 Cb 0.18 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 4xia h ASP 80 CO -0.01 0.65 -2.01 0.35 -1.57 0.00 0.00 179.24 176.65 4xia n THR 81 N -4.43 0.21 -0.57 0.35 -2.24 -0.60 -5.01 114.28 101.99 4xia n THR 81 Ca 0.10 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 4xia n THR 81 Cb 0.07 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 4xia n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4xia n GLY 82 N 1.32 0.75 3.77 3.38 0.00 0.17 -5.01 105.19 109.57 4xia n GLY 82 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 4xia n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4xia s LEU 83 N 0.00 4.06 0.43 0.99 1.43 -1.21 -5.00 118.68 119.37 4xia s LEU 83 Ca 0.00 2.45 0.02 0.00 -1.03 0.00 0.00 54.13 55.57 4xia s LEU 83 Cb 0.00 -4.14 -0.00 0.00 0.03 0.00 0.00 46.19 42.08 4xia s LEU 83 CO 0.00 -0.96 0.64 -0.54 0.23 0.00 0.00 176.35 175.72 4xia s LYS 84 N -2.57 3.03 -0.56 1.70 -0.14 -1.00 -4.85 119.74 115.34 4xia s LYS 84 Ca 0.62 -0.64 0.04 0.00 -1.36 0.00 0.00 55.97 54.64 4xia s LYS 84 Cb -0.32 -2.61 0.16 0.00 -1.68 0.00 0.00 37.83 33.38 4xia s LYS 84 CO 0.40 -0.24 0.40 0.08 -0.76 0.00 0.00 175.35 175.23 4xia s VAL 85 N -2.49 1.82 -0.24 3.17 1.01 -1.26 -1.07 120.40 121.35 4xia s VAL 85 Ca 0.48 -3.46 0.22 0.00 0.00 0.00 0.00 61.98 59.22 4xia s VAL 85 Cb -0.10 -2.22 0.25 0.00 0.00 0.00 0.00 36.38 34.31 4xia s VAL 85 CO 0.36 -1.06 1.62 1.55 0.00 0.00 0.00 175.10 177.58 4xia h PRO 86 N 5.71 0.00 -3.47 2.72 0.14 -1.86 -2.91 132.00 132.33 4xia h PRO 86 Ca 0.16 0.00 -0.17 0.00 0.14 0.00 0.00 66.00 66.12 4xia h PRO 86 Cb 0.83 0.00 -0.24 0.00 0.14 0.00 0.00 31.00 31.73 4xia h PRO 86 CO 0.57 0.17 -0.54 1.41 0.14 0.00 0.00 178.00 179.75 4xia s MET 87 N -3.23 0.28 -0.00 0.86 -2.45 -1.26 -1.63 119.30 111.88 4xia s MET 87 Ca 0.05 -0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 4xia s MET 87 Cb 0.07 0.12 -0.00 0.00 1.25 0.00 0.00 34.83 36.27 4xia s MET 87 CO 0.68 -0.05 -0.03 0.08 1.05 0.00 0.00 175.02 176.74 4xia s VAL 88 N -0.51 0.25 0.23 10.11 1.01 -1.10 -3.62 120.40 126.77 4xia s VAL 88 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.78 4xia s VAL 88 Cb -0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 4xia s VAL 88 CO 0.01 0.07 0.11 0.28 0.00 0.00 0.00 175.10 175.56 4xia s THR 89 N -0.08 0.30 0.02 3.92 -1.32 -0.75 -2.50 115.64 115.23 4xia s THR 89 Ca 0.01 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.56 4xia s THR 89 Cb -0.01 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 4xia s THR 89 CO -0.00 -0.03 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.32 4xia s THR 90 N -3.94 2.82 -0.48 5.08 2.01 -1.26 -1.60 115.64 118.27 4xia s THR 90 Ca 0.38 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 4xia s THR 90 Cb 0.07 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.46 4xia s THR 90 CO 0.12 0.40 0.67 0.21 -0.69 0.00 0.00 174.62 175.33 4xia s ASN 91 N -1.26 6.29 -0.30 3.53 3.84 -1.26 -4.86 114.94 120.92 4xia s ASN 91 Ca 0.14 -0.55 0.07 0.00 0.21 0.00 0.00 52.86 52.73 4xia s ASN 91 Cb -0.10 -2.32 0.46 0.00 -0.55 0.00 0.00 41.25 38.73 4xia s ASN 91 CO 0.04 -0.87 1.30 0.18 -2.79 0.00 0.00 177.10 174.96 4xia n LEU 92 N 6.37 4.58 0.00 3.21 4.77 -1.26 -4.74 117.00 129.93 4xia n LEU 92 Ca -0.03 -4.42 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 4xia n LEU 92 Cb 0.47 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 4xia n LEU 92 CO 0.55 1.81 0.00 2.22 -1.33 0.00 0.00 177.39 180.64 4xia n PHE 93 N -0.87 0.00 0.11 -1.77 1.16 -1.26 -4.46 117.46 110.37 4xia n PHE 93 Ca 0.39 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.73 4xia n PHE 93 Cb 0.89 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.61 4xia n PHE 93 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 4xia h SER 94 N 0.00 0.73 -3.95 5.98 0.02 -1.94 -3.46 113.55 110.94 4xia h SER 94 Ca 0.00 -0.93 -0.53 0.00 -0.84 0.00 0.00 61.79 59.49 4xia h SER 94 Cb 0.00 -0.24 0.10 0.00 0.14 0.00 0.00 62.40 62.40 4xia h SER 94 CO 0.00 1.74 0.68 -2.28 -1.14 0.00 0.00 176.83 175.83 4xia s HIS 95 N -2.58 2.71 0.49 3.45 5.65 -1.26 -4.93 115.29 118.82 4xia s HIS 95 Ca -0.13 1.31 0.26 0.00 0.25 0.00 0.00 55.06 56.76 4xia s HIS 95 Cb 0.04 -3.83 1.33 0.00 -1.18 0.00 0.00 32.58 28.95 4xia s HIS 95 CO 0.90 -2.50 1.88 -1.35 -0.65 0.00 0.00 174.74 173.01 4xia h PRO 96 N 2.79 0.15 -0.77 2.88 0.11 -2.03 -1.70 132.00 133.42 4xia h PRO 96 Ca -0.50 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.77 4xia h PRO 96 Cb 1.25 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 4xia h PRO 96 CO 0.63 0.10 0.52 -0.24 -0.21 0.00 0.00 178.00 178.80 4xia h VAL 97 N 0.15 0.75 -0.21 3.15 3.04 -1.97 -1.77 116.25 119.39 4xia h VAL 97 Ca 0.44 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 4xia h VAL 97 Cb 1.50 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 4xia h VAL 97 CO -0.08 0.07 0.00 0.49 -1.01 0.00 0.00 177.57 177.04 4xia n PHE 98 N -4.47 0.75 0.29 3.17 0.99 -0.64 -4.54 117.46 113.01 4xia n PHE 98 Ca 0.15 -0.26 0.16 0.00 -0.00 0.00 0.00 57.45 57.50 4xia n PHE 98 Cb 0.59 -0.24 0.93 0.00 -1.00 0.00 0.00 39.48 39.77 4xia n PHE 98 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 4xia h LYS 99 N 1.47 0.00 -0.17 -1.08 2.10 -1.48 -0.57 116.57 116.85 4xia h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 4xia h LYS 99 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 4xia h LYS 99 CO 0.17 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.15 4xia n ASP 100 N -3.76 2.59 0.00 7.07 2.03 -1.26 -5.03 116.55 118.19 4xia n ASP 100 Ca -0.02 -2.20 0.00 0.00 0.52 0.00 0.00 54.79 53.08 4xia n ASP 100 Cb 0.12 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 4xia n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 4xia n GLY 101 N -0.18 1.58 0.00 0.27 0.00 -0.22 -3.51 105.19 103.13 4xia n GLY 101 Ca 0.08 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.89 4xia n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4xia n GLY 102 N -0.68 0.03 0.31 -0.02 0.00 -1.26 -4.30 105.19 99.25 4xia n GLY 102 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 4xia n GLY 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 4xia h PHE 103 N 0.00 0.20 -0.04 1.61 0.04 -1.90 -3.08 116.94 113.77 4xia h PHE 103 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 4xia h PHE 103 Cb 0.00 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 4xia h PHE 103 CO 0.00 0.12 -0.23 0.25 -0.60 0.00 0.00 178.31 177.85 4xia n THR 104 N -4.49 2.11 -1.80 -1.55 -2.24 -1.26 -4.39 114.28 100.66 4xia n THR 104 Ca 0.02 -2.72 -0.37 0.00 -2.27 0.00 0.00 64.05 58.71 4xia n THR 104 Cb 0.20 -0.25 0.06 0.00 -2.10 0.00 0.00 70.33 68.24 4xia n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 4xia s SER 105 N -2.96 4.85 0.30 3.42 0.15 -1.16 -4.81 113.70 113.48 4xia s SER 105 Ca 0.36 2.62 0.14 0.00 0.70 0.00 0.00 55.95 59.78 4xia s SER 105 Cb 0.33 -2.62 0.39 0.00 -1.71 0.00 0.00 66.02 62.41 4xia s SER 105 CO -0.01 -1.84 1.60 0.78 1.20 0.00 0.00 173.24 174.97 4xia h ASN 106 N 0.82 0.00 -3.22 5.45 2.35 -1.93 -3.42 115.58 115.62 4xia h ASN 106 Ca -0.51 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.68 4xia h ASN 106 Cb 1.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.65 4xia h ASN 106 CO 0.54 0.54 0.61 -0.62 -1.65 0.00 0.00 177.43 176.86 4xia s ASP 107 N -6.60 7.21 0.24 5.81 3.68 -1.26 -4.96 116.67 120.80 4xia s ASP 107 Ca 0.00 1.50 0.03 0.00 2.13 0.00 0.00 52.55 56.21 4xia s ASP 107 Cb 0.11 -2.55 0.28 0.00 -1.45 0.00 0.00 42.92 39.31 4xia s ASP 107 CO 0.73 -0.49 1.59 -0.09 0.13 0.00 0.00 175.17 177.05 4xia h ARG 108 N 7.17 0.33 -0.33 4.34 2.43 -1.99 -2.03 114.38 124.29 4xia h ARG 108 Ca -0.29 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 4xia h ARG 108 Cb 1.13 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 4xia h ARG 108 CO 0.88 0.77 0.01 0.66 -1.51 0.00 0.00 179.97 180.78 4xia h SER 109 N 0.26 0.57 -0.69 -3.80 4.64 -1.96 -2.41 113.55 110.15 4xia h SER 109 Ca 0.01 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.04 4xia h SER 109 Cb 1.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 4xia h SER 109 CO 0.08 0.73 0.45 0.40 -0.87 0.00 0.00 176.83 177.63 4xia h ILE 110 N 0.39 1.16 -0.95 0.95 2.04 -1.93 -1.17 117.51 118.00 4xia h ILE 110 Ca 0.09 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.71 4xia h ILE 110 Cb 0.44 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 4xia h ILE 110 CO 0.02 0.17 0.60 0.03 0.00 0.00 0.00 178.15 178.96 4xia h ARG 111 N 0.92 1.03 -0.13 2.37 3.08 -0.90 -0.22 114.38 120.53 4xia h ARG 111 Ca 0.26 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 4xia h ARG 111 Cb -0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 4xia h ARG 111 CO -0.06 0.68 0.02 0.00 -1.07 0.00 0.00 179.97 179.54 4xia h ARG 112 N 1.07 0.22 -0.55 0.04 3.08 -1.00 -1.60 114.38 115.63 4xia h ARG 112 Ca 0.42 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.42 4xia h ARG 112 Cb 0.23 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 4xia h ARG 112 CO -0.19 0.41 0.36 0.35 -1.07 0.00 0.00 179.97 179.83 4xia h PHE 113 N -0.00 0.70 -0.31 3.04 3.04 -0.59 -0.27 116.94 122.55 4xia h PHE 113 Ca 0.04 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.03 4xia h PHE 113 Cb 0.30 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 4xia h PHE 113 CO 0.02 0.44 0.15 0.00 -2.02 0.00 0.00 178.31 176.90 4xia h ALA 114 N 1.20 0.37 -0.46 2.41 0.00 -0.94 0.39 119.26 122.24 4xia h ALA 114 Ca 0.20 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 4xia h ALA 114 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 4xia h ALA 114 CO -0.04 -0.23 -0.23 1.25 0.00 0.00 0.00 179.25 180.00 4xia h LEU 115 N 0.31 0.97 -0.17 0.00 5.85 -1.03 -2.13 115.31 119.12 4xia h LEU 115 Ca 0.13 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.49 4xia h LEU 115 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 4xia h LEU 115 CO -0.09 1.15 0.06 0.00 -0.34 0.00 0.00 178.44 179.22 4xia h ALA 116 N 0.91 0.18 -0.82 1.25 0.00 -0.54 -0.97 119.26 119.28 4xia h ALA 116 Ca 0.10 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 4xia h ALA 116 Cb 0.79 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 4xia h ALA 116 CO 0.07 -0.38 0.53 -0.22 0.00 0.00 0.00 179.25 179.26 4xia h LYS 117 N 0.14 0.87 -0.08 0.00 3.64 -0.12 -1.86 116.57 119.17 4xia h LYS 117 Ca 0.07 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 4xia h LYS 117 Cb 0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 4xia h LYS 117 CO -0.07 0.58 -0.12 0.28 -2.27 0.00 0.00 179.45 177.85 4xia h VAL 118 N 0.90 1.39 -0.37 2.00 2.07 -1.00 -2.90 116.25 118.35 4xia h VAL 118 Ca 0.35 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.55 4xia h VAL 118 Cb 0.22 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 4xia h VAL 118 CO -0.12 0.38 0.13 -0.07 0.02 0.00 0.00 177.57 177.91 4xia h LEU 119 N -0.22 0.15 -0.45 2.57 3.38 -0.77 -1.60 115.31 118.36 4xia h LEU 119 Ca 0.01 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.03 4xia h LEU 119 Cb 0.67 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 4xia h LEU 119 CO 0.03 0.12 0.28 0.45 0.09 0.00 0.00 178.44 179.41 4xia h HIS 120 N 0.29 0.53 0.00 1.13 3.86 -1.45 -2.69 115.15 116.82 4xia h HIS 120 Ca 0.17 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 4xia h HIS 120 Cb 0.14 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 4xia h HIS 120 CO -0.14 0.32 -0.04 -0.97 0.86 0.00 0.00 177.93 177.95 4xia h ASN 121 N 0.57 0.00 -0.38 2.45 -1.24 -1.12 -2.45 115.58 113.40 4xia h ASN 121 Ca 0.18 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.14 4xia h ASN 121 Cb -0.02 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 4xia h ASN 121 CO -0.07 0.04 0.07 0.40 -1.29 0.00 0.00 177.43 176.58 4xia h ILE 122 N 0.00 1.24 0.30 2.57 2.04 -0.97 -0.55 117.51 122.14 4xia h ILE 122 Ca -0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 4xia h ILE 122 Cb 0.09 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 4xia h ILE 122 CO 0.01 0.28 -0.41 0.44 0.00 0.00 0.00 178.15 178.47 4xia h ASP 123 N 0.47 -1.14 -0.34 1.72 3.45 -1.43 0.26 116.42 119.42 4xia h ASP 123 Ca 0.12 0.11 0.06 0.00 0.43 0.00 0.00 57.03 57.75 4xia h ASP 123 Cb 0.35 0.40 -0.06 0.00 -0.56 0.00 0.00 39.33 39.46 4xia h ASP 123 CO 0.01 -0.53 -0.04 0.25 -1.57 0.00 0.00 179.24 177.35 4xia h LEU 124 N -0.76 -0.23 -0.50 1.55 5.85 -1.42 0.21 115.31 120.01 4xia h LEU 124 Ca -0.02 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.88 4xia h LEU 124 Cb 0.71 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 4xia h LEU 124 CO -0.13 -0.08 0.12 0.00 -0.34 0.00 0.00 178.44 178.02 4xia h ALA 125 N 1.32 0.57 -0.18 1.25 0.00 -0.62 -0.44 119.26 121.16 4xia h ALA 125 Ca 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 4xia h ALA 125 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 4xia h ALA 125 CO -0.31 -0.28 0.09 0.00 0.00 0.00 0.00 179.25 178.74 4xia h ALA 126 N 1.37 0.23 0.00 0.00 0.00 0.17 -2.13 119.26 118.90 4xia h ALA 126 Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 4xia h ALA 126 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 4xia h ALA 126 CO -0.30 -0.21 -0.28 1.05 0.00 0.00 0.00 179.25 179.51 4xia h GLU 127 N 0.16 0.00 0.00 0.00 4.11 0.64 -2.74 114.58 116.75 4xia h GLU 127 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 4xia h GLU 127 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 4xia h GLU 127 CO -0.01 0.28 0.00 -1.33 0.07 0.00 0.00 179.01 178.02 4xia n MET 128 N -3.97 0.10 -1.15 1.06 2.81 -0.30 -4.91 117.12 110.76 4xia n MET 128 Ca -0.02 0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 55.93 4xia n MET 128 Cb 0.35 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.36 4xia n MET 128 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 4xia n GLY 129 N 1.00 0.45 3.77 3.03 0.00 -1.04 -4.57 105.19 107.83 4xia n GLY 129 Ca 0.08 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 4xia n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4xia s ALA 130 N -2.04 3.40 -0.07 4.61 0.00 -0.82 -4.77 121.76 122.06 4xia s ALA 130 Ca 0.00 1.28 0.14 0.00 0.00 0.00 0.00 51.96 53.38 4xia s ALA 130 Cb 0.00 -3.49 -0.20 0.00 0.00 0.00 0.00 23.12 19.43 4xia s ALA 130 CO 0.00 -0.76 0.70 -0.85 0.00 0.00 0.00 175.76 174.85 4xia n GLU 131 N 0.46 0.63 -5.11 0.00 0.28 -0.64 -4.66 120.64 111.60 4xia n GLU 131 Ca 0.02 0.27 -0.29 0.00 -0.16 0.00 0.00 57.16 57.00 4xia n GLU 131 Cb 0.42 -1.79 -0.16 0.00 1.43 0.00 0.00 31.44 31.34 4xia n GLU 131 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 4xia s THR 132 N -2.70 1.82 -0.24 3.84 2.01 -0.69 -1.88 115.64 117.79 4xia s THR 132 Ca -0.04 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 60.97 4xia s THR 132 Cb 0.08 -1.52 0.05 0.00 0.01 0.00 0.00 72.50 71.13 4xia s THR 132 CO 0.82 0.49 -0.12 0.12 -0.69 0.00 0.00 174.62 175.24 4xia s PHE 133 N -0.56 2.99 -0.05 4.92 5.36 0.13 -2.69 117.98 128.07 4xia s PHE 133 Ca 0.09 -2.06 -0.11 0.00 -0.96 0.00 0.00 56.93 53.88 4xia s PHE 133 Cb -0.09 -1.85 -0.05 0.00 -0.34 0.00 0.00 43.02 40.69 4xia s PHE 133 CO -0.01 -0.84 0.29 0.08 -1.46 0.00 0.00 175.22 173.28 4xia s VAL 134 N 1.20 5.24 -0.19 3.12 1.01 -1.04 0.02 120.40 129.77 4xia s VAL 134 Ca -0.05 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.50 4xia s VAL 134 Cb -0.18 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.65 4xia s VAL 134 CO -0.07 0.60 -0.17 -0.04 0.00 0.00 0.00 175.10 175.42 4xia s MET 135 N -1.04 2.66 -0.37 2.72 -1.94 0.43 -4.22 119.30 117.54 4xia s MET 135 Ca 0.20 -0.86 -0.01 0.00 -1.71 0.00 0.00 55.69 53.31 4xia s MET 135 Cb -0.15 -2.52 0.10 0.00 2.01 0.00 0.00 34.83 34.27 4xia s MET 135 CO 0.09 -0.29 0.13 -0.46 -0.01 0.00 0.00 175.02 174.48 4xia s TRP 136 N 1.31 3.61 -1.39 -0.03 -0.00 -1.26 -0.38 118.94 120.80 4xia s TRP 136 Ca 0.02 -2.54 -0.12 0.00 -0.00 0.00 0.00 56.10 53.46 4xia s TRP 136 Cb -0.14 -3.01 0.09 0.00 -0.00 0.00 0.00 33.47 30.41 4xia s TRP 136 CO -0.11 -0.95 2.10 0.41 -0.00 0.00 0.00 176.95 178.40 4xia n GLY 137 N 4.49 4.58 0.33 5.86 0.00 -1.26 -4.80 105.19 114.39 4xia n GLY 137 Ca -0.02 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.29 4xia n GLY 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 4xia h GLY 138 N 9.01 0.54 -2.03 -0.02 0.00 -1.92 -2.61 103.07 106.04 4xia h GLY 138 Ca 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.66 4xia h GLY 138 CO 1.78 0.13 0.00 0.54 0.00 0.00 0.00 176.54 178.99 4xia n ARG 139 N -4.47 2.31 -2.58 4.80 5.12 -1.26 -4.08 116.66 116.49 4xia n ARG 139 Ca 0.07 -2.06 -0.41 0.00 -1.93 0.00 0.00 57.85 53.52 4xia n ARG 139 Cb 0.26 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 4xia n ARG 139 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 4xia s GLU 140 N -1.66 3.19 0.00 5.56 0.41 -0.98 -2.88 118.70 122.33 4xia s GLU 140 Ca 0.32 -0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.59 4xia s GLU 140 Cb 0.20 -4.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.37 4xia s GLU 140 CO 0.29 -2.11 0.00 0.41 -0.49 0.00 0.00 175.26 173.37 4xia n GLY 141 N 5.37 -0.55 3.50 -1.39 0.00 -1.26 -0.27 105.19 110.59 4xia n GLY 141 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 4xia n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4xia s SER 142 N -4.00 -0.41 -0.15 1.61 1.04 -0.77 -4.96 113.70 106.06 4xia s SER 142 Ca 0.00 -0.04 0.13 0.00 0.48 0.00 0.00 55.95 56.52 4xia s SER 142 Cb 0.00 0.47 -0.24 0.00 0.10 0.00 0.00 66.02 66.35 4xia s SER 142 CO 0.00 -0.77 0.26 -0.62 0.98 0.00 0.00 173.24 173.09 4xia n GLU 143 N -0.31 0.67 -4.94 4.02 4.71 -1.26 -1.05 120.64 122.48 4xia n GLU 143 Ca -0.11 0.12 -0.28 0.00 -0.01 0.00 0.00 57.16 56.88 4xia n GLU 143 Cb 0.63 -1.62 -0.15 0.00 -1.01 0.00 0.00 31.44 29.28 4xia n GLU 143 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 4xia s TYR 144 N -2.53 1.99 0.35 -0.32 1.51 -1.26 -4.87 117.35 112.23 4xia s TYR 144 Ca -0.11 -0.38 0.21 0.00 -1.01 0.00 0.00 57.07 55.78 4xia s TYR 144 Cb 0.07 -1.24 1.08 0.00 -0.11 0.00 0.00 41.96 41.75 4xia s TYR 144 CO 0.80 0.03 1.94 -0.44 -1.11 0.00 0.00 175.55 176.77 4xia h ASP 145 N 5.25 0.00 -0.21 2.29 3.32 -1.98 -3.03 116.42 122.06 4xia h ASP 145 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 4xia h ASP 145 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 4xia h ASP 145 CO 0.46 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.82 4xia n GLY 146 N -0.48 0.46 0.22 2.75 0.00 -1.26 -4.27 105.19 102.60 4xia n GLY 146 Ca -0.02 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.64 4xia n GLY 146 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 4xia h SER 147 N 2.40 0.00 -4.24 1.61 0.02 -1.96 -3.45 113.55 107.93 4xia h SER 147 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 4xia h SER 147 Cb 0.53 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.86 4xia h SER 147 CO 0.00 0.26 -0.80 -0.54 -1.14 0.00 0.00 176.83 174.61 4xia s LYS 148 N -3.98 1.00 -0.47 3.45 -0.14 -1.26 -5.04 119.74 113.30 4xia s LYS 148 Ca -0.02 -1.11 -0.20 0.00 -1.36 0.00 0.00 55.97 53.29 4xia s LYS 148 Cb 0.13 -1.11 0.04 0.00 -1.68 0.00 0.00 37.83 35.20 4xia s LYS 148 CO 0.65 0.25 0.64 0.34 -0.76 0.00 0.00 175.35 176.47 4xia s ASP 149 N -1.96 6.27 0.31 2.83 -1.08 -1.26 -4.94 116.67 116.83 4xia s ASP 149 Ca 0.04 -0.60 0.09 0.00 -0.52 0.00 0.00 52.55 51.56 4xia s ASP 149 Cb -0.09 -2.31 0.50 0.00 -1.46 0.00 0.00 42.92 39.56 4xia s ASP 149 CO 0.03 -0.84 1.71 -0.07 0.52 0.00 0.00 175.17 176.53 4xia h LEU 150 N 9.73 0.14 -0.15 -1.34 3.38 -1.98 0.40 115.31 125.50 4xia h LEU 150 Ca -0.26 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.49 4xia h LEU 150 Cb 1.10 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.81 4xia h LEU 150 CO 0.92 0.58 -0.50 0.00 0.09 0.00 0.00 178.44 179.53 4xia h ALA 151 N 1.43 0.26 -0.59 1.53 0.00 -2.00 -2.97 119.26 116.92 4xia h ALA 151 Ca 0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 4xia h ALA 151 Cb 0.84 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 4xia h ALA 151 CO 0.06 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 4xia h ALA 152 N 0.53 0.82 -0.73 0.00 0.00 -1.92 -1.65 119.26 116.32 4xia h ALA 152 Ca -0.02 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.62 4xia h ALA 152 Cb 1.13 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 4xia h ALA 152 CO 0.11 0.67 0.43 0.00 0.00 0.00 0.00 179.25 180.45 4xia h ALA 153 N 0.99 0.99 -0.17 0.00 0.00 -0.91 0.12 119.26 120.28 4xia h ALA 153 Ca 0.17 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 4xia h ALA 153 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 4xia h ALA 153 CO 0.04 0.13 -0.57 -0.07 0.00 0.00 0.00 179.25 178.77 4xia h LEU 154 N 0.78 0.59 -0.19 0.00 3.38 -1.34 -1.58 115.31 116.95 4xia h LEU 154 Ca 0.32 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 4xia h LEU 154 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 4xia h LEU 154 CO -0.18 1.03 0.08 0.44 0.09 0.00 0.00 178.44 179.91 4xia h ASP 155 N 0.40 0.26 -0.78 -0.43 3.45 -0.59 -1.51 116.42 117.22 4xia h ASP 155 Ca 0.00 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.32 4xia h ASP 155 Cb 1.11 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.78 4xia h ASP 155 CO 0.11 0.34 0.49 0.03 -1.57 0.00 0.00 179.24 178.63 4xia h ARG 156 N 0.17 1.04 -0.20 3.56 2.47 -0.69 -0.52 114.38 120.21 4xia h ARG 156 Ca 0.07 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 4xia h ARG 156 Cb 0.15 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 4xia h ARG 156 CO -0.01 0.72 0.10 1.98 0.56 0.00 0.00 179.97 183.33 4xia h MET 157 N 1.06 0.29 -0.45 0.04 4.05 -1.21 -2.27 114.93 116.44 4xia h MET 157 Ca 0.28 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.67 4xia h MET 157 Cb -0.07 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 4xia h MET 157 CO -0.06 0.30 0.29 -0.09 0.23 0.00 0.00 176.91 177.58 4xia h ARG 158 N 0.20 0.56 0.07 0.39 2.43 -1.06 -1.12 114.38 115.87 4xia h ARG 158 Ca 0.07 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 4xia h ARG 158 Cb 0.11 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 4xia h ARG 158 CO -0.01 0.37 -0.24 1.49 -1.51 0.00 0.00 179.97 180.07 4xia h GLU 159 N 0.58 -0.40 0.10 0.20 4.81 -0.88 0.15 114.58 119.14 4xia h GLU 159 Ca 0.17 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 4xia h GLU 159 Cb -0.03 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 4xia h GLU 159 CO -0.06 -0.27 -0.06 0.78 -0.73 0.00 0.00 179.01 178.68 4xia h GLY 160 N -0.41 -0.15 1.00 1.92 0.00 -1.30 -1.33 103.07 102.79 4xia h GLY 160 Ca 0.04 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 4xia h GLY 160 CO -0.16 -0.06 0.18 -2.08 0.00 0.00 0.00 176.54 174.42 4xia h VAL 161 N -0.15 1.24 -0.21 4.60 2.07 -0.92 -2.30 116.25 120.58 4xia h VAL 161 Ca -0.01 -0.80 -0.15 0.00 0.82 0.00 0.00 66.70 66.56 4xia h VAL 161 Cb 0.12 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 4xia h VAL 161 CO 0.01 0.30 -0.49 0.44 0.02 0.00 0.00 177.57 177.85 4xia h ASP 162 N 0.80 0.61 -0.30 0.57 3.45 -0.67 -2.36 116.42 118.52 4xia h ASP 162 Ca 0.18 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 4xia h ASP 162 Cb 0.28 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 4xia h ASP 162 CO -0.01 1.00 0.16 0.74 -1.57 0.00 0.00 179.24 179.56 4xia h THR 163 N 0.44 1.13 -0.68 0.35 2.02 -1.10 0.31 112.91 115.38 4xia h THR 163 Ca 0.02 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 4xia h THR 163 Cb 1.01 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 4xia h THR 163 CO 0.09 0.13 0.37 0.00 0.37 0.00 0.00 175.52 176.49 4xia h ALA 164 N 1.03 0.87 -0.18 6.16 0.00 -1.38 -1.53 119.26 124.24 4xia h ALA 164 Ca 0.11 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 4xia h ALA 164 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 4xia h ALA 164 CO -0.02 0.39 -0.58 0.00 0.00 0.00 0.00 179.25 179.04 4xia h ALA 165 N 1.18 0.65 -0.18 0.00 0.00 -1.26 -2.46 119.26 117.19 4xia h ALA 165 Ca 0.24 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 4xia h ALA 165 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 4xia h ALA 165 CO -0.04 0.70 -0.02 0.78 0.00 0.00 0.00 179.25 180.67 4xia h GLY 166 N 1.04 0.36 0.64 0.00 0.00 -0.80 -2.41 103.07 101.90 4xia h GLY 166 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.08 4xia h GLY 166 CO 0.11 0.26 -0.12 -1.82 0.00 0.00 0.00 176.54 174.96 4xia h TYR 167 N 0.07 -0.32 -0.51 5.60 3.20 -1.26 -0.14 116.97 123.61 4xia h TYR 167 Ca 0.05 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.04 4xia h TYR 167 Cb 0.43 0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.74 4xia h TYR 167 CO 0.04 -0.19 -0.20 0.82 -1.64 0.00 0.00 178.16 177.00 4xia h ILE 168 N -0.19 0.37 -0.04 1.81 2.04 -1.31 0.13 117.51 120.31 4xia h ILE 168 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 4xia h ILE 168 Cb 0.27 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 4xia h ILE 168 CO -0.15 0.00 -0.01 0.11 0.00 0.00 0.00 178.15 178.10 4xia h LYS 169 N -0.08 -0.00 -0.37 2.37 1.57 -1.06 -1.76 116.57 117.24 4xia h LYS 169 Ca 0.24 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 4xia h LYS 169 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 4xia h LYS 169 CO -0.57 -0.00 0.18 -0.44 -0.57 0.00 0.00 179.45 178.05 4xia h ASP 170 N -0.00 0.27 0.64 0.86 3.32 -0.25 -2.31 116.42 118.94 4xia h ASP 170 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 4xia h ASP 170 Cb 0.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.55 4xia h ASP 170 CO -0.04 0.20 0.00 0.29 -1.72 0.00 0.00 179.24 177.97 4xia n LYS 171 N -4.94 0.18 -1.13 3.56 4.76 -0.04 -4.94 118.16 115.61 4xia n LYS 171 Ca 0.01 0.07 -0.05 0.00 -2.87 0.00 0.00 58.31 55.48 4xia n LYS 171 Cb 0.09 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.76 4xia n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 4xia n GLY 172 N 0.88 0.63 3.76 0.72 0.00 -0.70 -4.99 105.19 105.49 4xia n GLY 172 Ca 0.09 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 4xia n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4xia s TYR 173 N -1.81 2.55 -1.09 1.61 4.12 -1.00 -4.95 117.35 116.78 4xia s TYR 173 Ca 0.00 1.37 -0.05 0.00 0.02 0.00 0.00 57.07 58.42 4xia s TYR 173 Cb 0.00 -3.74 0.30 0.00 -1.52 0.00 0.00 41.96 37.00 4xia s TYR 173 CO 0.00 -2.51 1.45 -1.71 0.02 0.00 0.00 175.55 172.80 4xia n ASN 174 N -0.42 6.31 -3.89 2.29 2.85 -1.26 -4.75 115.26 116.39 4xia n ASN 174 Ca 0.07 -3.37 -0.12 0.00 -0.11 0.00 0.00 54.58 51.05 4xia n ASN 174 Cb 0.44 -1.29 -0.14 0.00 1.24 0.00 0.00 39.78 40.04 4xia n ASN 174 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 4xia s LEU 175 N -2.58 2.03 0.06 1.20 1.43 -1.26 -4.48 118.68 115.09 4xia s LEU 175 Ca 0.31 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.43 4xia s LEU 175 Cb 0.03 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.24 4xia s LEU 175 CO 0.08 -0.04 -0.24 -0.13 0.23 0.00 0.00 176.35 176.26 4xia s ARG 176 N -0.21 1.83 -0.07 1.70 0.52 -0.79 -4.98 118.95 116.95 4xia s ARG 176 Ca -0.02 -1.11 -0.17 0.00 -0.52 0.00 0.00 55.73 53.91 4xia s ARG 176 Cb -0.01 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.37 4xia s ARG 176 CO -0.00 0.51 0.46 0.42 0.02 0.00 0.00 175.30 176.71 4xia s ILE 177 N -0.89 5.10 -0.16 1.52 1.01 -0.71 -0.70 121.20 126.38 4xia s ILE 177 Ca 0.13 0.92 0.02 0.00 0.00 0.00 0.00 60.65 61.72 4xia s ILE 177 Cb -0.10 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.60 4xia s ILE 177 CO 0.04 0.43 -0.21 0.00 0.00 0.00 0.00 174.94 175.20 4xia s ALA 178 N -0.07 2.26 0.08 9.38 0.00 0.10 -0.93 121.76 132.58 4xia s ALA 178 Ca 0.25 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 4xia s ALA 178 Cb -0.16 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 4xia s ALA 178 CO 0.12 -0.20 0.50 -0.51 0.00 0.00 0.00 175.76 175.66 4xia s LEU 179 N 1.07 4.43 -0.27 0.00 1.43 0.32 -0.43 118.68 125.24 4xia s LEU 179 Ca -0.01 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 4xia s LEU 179 Cb -0.14 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.21 4xia s LEU 179 CO -0.08 0.22 -0.06 -0.70 0.23 0.00 0.00 176.35 175.97 4xia s GLU 180 N -1.48 1.87 0.50 1.70 2.12 0.49 -0.54 118.70 123.36 4xia s GLU 180 Ca 0.31 -1.32 -0.19 0.00 0.36 0.00 0.00 54.97 54.12 4xia s GLU 180 Cb -0.17 -2.82 -0.08 0.00 0.26 0.00 0.00 34.13 31.32 4xia s GLU 180 CO 0.17 -0.66 1.03 -1.25 -0.54 0.00 0.00 175.26 174.02 4xia s PRO 181 N 1.17 3.77 -0.28 4.30 0.04 -1.26 -4.35 135.00 138.38 4xia s PRO 181 Ca -0.04 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 4xia s PRO 181 Cb -0.19 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.34 4xia s PRO 181 CO -0.07 -0.45 0.69 0.21 0.04 0.00 0.00 177.00 177.43 4xia s LYS 182 N -3.43 0.67 0.19 4.56 2.20 -1.21 -4.65 119.74 118.07 4xia s LYS 182 Ca 0.66 1.26 -0.03 0.00 -0.36 0.00 0.00 55.97 57.50 4xia s LYS 182 Cb -0.15 0.30 0.12 0.00 -1.51 0.00 0.00 37.83 36.58 4xia s LYS 182 CO 0.23 -0.16 1.51 -1.00 -0.36 0.00 0.00 175.35 175.57 4xia h PRO 183 N 7.19 0.56 -2.61 4.03 0.13 -1.66 -3.38 132.00 136.27 4xia h PRO 183 Ca -0.27 -0.35 0.13 0.00 -0.87 0.00 0.00 66.00 64.64 4xia h PRO 183 Cb 1.20 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 4xia h PRO 183 CO 0.15 0.96 0.39 0.54 -0.23 0.00 0.00 178.00 179.81 4xia s ASN 184 N -6.91 -0.18 -0.01 1.44 4.22 -1.26 -0.99 114.94 111.24 4xia s ASN 184 Ca -0.07 -0.54 -0.01 0.00 -2.14 0.00 0.00 52.86 50.09 4xia s ASN 184 Cb 0.11 0.59 0.00 0.00 1.28 0.00 0.00 41.25 43.24 4xia s ASN 184 CO 0.84 -1.11 0.02 1.21 -2.04 0.00 0.00 177.10 176.03 4xia n GLU 185 N -0.49 -1.35 0.00 3.55 0.00 -1.26 -4.82 120.64 116.28 4xia n GLU 185 Ca -0.05 1.35 0.14 0.00 0.00 0.00 0.00 57.16 58.60 4xia n GLU 185 Cb 0.60 -1.80 0.62 0.00 0.00 0.00 0.00 31.44 30.86 4xia n GLU 185 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 4xia n PRO 186 N 0.48 0.18 -3.01 5.31 -0.04 -1.26 -5.01 135.00 131.64 4xia n PRO 186 Ca -0.04 -0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 4xia n PRO 186 Cb 0.06 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 4xia n PRO 186 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 4xia s ARG 187 N -2.84 3.22 0.16 0.54 1.81 -1.26 -5.00 118.95 115.59 4xia s ARG 187 Ca 0.19 -0.34 -0.13 0.00 -1.72 0.00 0.00 55.73 53.73 4xia s ARG 187 Cb 0.19 -2.55 0.05 0.00 -0.45 0.00 0.00 34.95 32.19 4xia s ARG 187 CO 0.52 -0.18 1.69 0.78 -0.68 0.00 0.00 175.30 177.44 4xia h GLY 188 N 0.44 0.90 -6.21 -3.53 0.00 -1.85 -3.42 103.07 89.39 4xia h GLY 188 Ca -0.47 -0.52 -0.39 0.00 0.00 0.00 0.00 47.33 45.94 4xia h GLY 188 CO 0.59 0.49 -0.77 0.99 0.00 0.00 0.00 176.54 177.84 4xia s ASP 189 N -6.11 0.82 -0.00 0.19 1.11 -0.22 -4.70 116.67 107.77 4xia s ASP 189 Ca -0.13 -0.11 0.01 0.00 0.18 0.00 0.00 52.55 52.51 4xia s ASP 189 Cb 0.12 -0.40 -0.04 0.00 1.07 0.00 0.00 42.92 43.68 4xia s ASP 189 CO 0.79 -0.06 -0.00 -0.63 1.18 0.00 0.00 175.17 176.46 4xia s ILE 190 N 0.88 4.14 0.47 0.77 1.01 -0.17 -1.85 121.20 126.46 4xia s ILE 190 Ca -0.11 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 4xia s ILE 190 Cb -0.14 -2.84 -0.07 0.00 0.01 0.00 0.00 42.46 39.42 4xia s ILE 190 CO -0.00 0.38 1.22 -0.36 0.00 0.00 0.00 174.94 176.18 4xia s PHE 191 N -1.08 2.75 -0.93 3.97 2.99 0.63 -3.48 117.98 122.83 4xia s PHE 191 Ca 0.19 1.49 -0.06 0.00 0.00 0.00 0.00 56.93 58.55 4xia s PHE 191 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 43.02 39.38 4xia s PHE 191 CO 0.10 -1.86 0.79 1.28 -0.00 0.00 0.00 175.22 175.53 4xia n LEU 192 N -0.53 -5.31 0.22 -0.37 4.77 -1.26 -4.79 117.00 109.73 4xia n LEU 192 Ca 0.08 -0.54 0.09 0.00 -0.03 0.00 0.00 56.01 55.61 4xia n LEU 192 Cb 0.47 -2.98 0.49 0.00 -2.33 0.00 0.00 43.42 39.07 4xia n LEU 192 CO 0.50 -0.29 0.81 1.55 -1.33 0.00 0.00 177.39 178.62 4xia h PRO 193 N -0.56 0.00 -4.83 3.23 0.13 -1.73 -3.31 132.00 124.94 4xia h PRO 193 Ca -0.38 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.41 4xia h PRO 193 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 4xia h PRO 193 CO 0.39 0.26 -0.61 0.95 -0.23 0.00 0.00 178.00 178.76 4xia s THR 194 N -3.87 0.41 0.20 1.56 -4.23 -1.26 -2.02 115.64 106.43 4xia s THR 194 Ca -0.01 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 4xia s THR 194 Cb 0.12 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.55 4xia s THR 194 CO 0.65 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.96 4xia h VAL 195 N 2.40 0.48 -0.53 2.29 2.07 -1.92 -1.01 116.25 120.03 4xia h VAL 195 Ca -0.37 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.20 4xia h VAL 195 Cb 1.25 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 4xia h VAL 195 CO 0.58 0.01 0.21 1.23 0.02 0.00 0.00 177.57 179.62 4xia h GLY 196 N 0.05 0.72 1.03 2.17 0.00 -1.96 -0.70 103.07 104.38 4xia h GLY 196 Ca 0.28 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 4xia h GLY 196 CO -0.54 0.03 0.26 0.45 0.00 0.00 0.00 176.54 176.74 4xia h HIS 197 N 0.41 1.09 -0.17 5.60 -0.00 -1.76 -0.38 115.15 119.96 4xia h HIS 197 Ca 0.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 4xia h HIS 197 Cb 0.25 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 4xia h HIS 197 CO -0.14 0.86 0.06 0.78 -0.00 0.00 0.00 177.93 179.48 4xia h GLY 198 N 1.01 0.27 0.81 2.45 0.00 -0.70 -1.73 103.07 105.19 4xia h GLY 198 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.44 4xia h GLY 198 CO -0.01 0.14 0.33 1.41 0.00 0.00 0.00 176.54 178.41 4xia h LEU 199 N 0.10 0.52 -0.24 3.11 3.38 -0.95 -1.79 115.31 119.44 4xia h LEU 199 Ca 0.05 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 4xia h LEU 199 Cb 0.20 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 4xia h LEU 199 CO -0.00 0.36 -0.02 0.00 0.09 0.00 0.00 178.44 178.86 4xia h ALA 200 N 1.27 0.19 -0.41 1.53 0.00 -0.97 -3.00 119.26 117.88 4xia h ALA 200 Ca 0.24 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.25 4xia h ALA 200 Cb 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 4xia h ALA 200 CO -0.13 -0.44 0.21 0.35 0.00 0.00 0.00 179.25 179.25 4xia h PHE 201 N 0.05 0.39 -0.95 0.00 3.57 -0.90 -2.70 116.94 116.40 4xia h PHE 201 Ca 0.11 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.80 4xia h PHE 201 Cb 0.15 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.68 4xia h PHE 201 CO -0.21 0.21 0.54 0.82 -2.23 0.00 0.00 178.31 177.44 4xia h ILE 202 N 0.43 0.72 0.00 1.41 2.04 -1.19 -2.00 117.51 118.92 4xia h ILE 202 Ca 0.17 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.79 4xia h ILE 202 Cb 0.07 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 4xia h ILE 202 CO -0.12 0.13 0.00 -0.33 0.00 0.00 0.00 178.15 177.83 4xia h GLU 203 N 0.72 0.00 -0.01 2.37 4.39 -1.50 -2.61 114.58 117.94 4xia h GLU 203 Ca 0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.23 4xia h GLU 203 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 4xia h GLU 203 CO -0.38 0.00 -0.59 1.04 -1.16 0.00 0.00 179.01 177.93 4xia n GLN 204 N -2.31 0.82 -2.81 2.33 1.13 -0.75 -4.97 117.38 110.82 4xia n GLN 204 Ca -0.01 -0.66 -0.38 0.00 -1.94 0.00 0.00 57.00 54.02 4xia n GLN 204 Cb 0.07 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.87 4xia n GLN 204 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 4xia s LEU 205 N -2.63 4.42 0.10 1.08 1.43 -0.98 -4.99 118.68 117.10 4xia s LEU 205 Ca 0.16 1.82 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 4xia s LEU 205 Cb 0.18 -3.87 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 4xia s LEU 205 CO 0.65 0.00 1.46 -0.08 0.23 0.00 0.00 176.35 178.61 4xia h GLU 206 N 3.45 0.64 -0.97 1.70 4.81 -1.93 -3.30 114.58 118.98 4xia h GLU 206 Ca -0.46 -0.29 -0.62 0.00 -0.13 0.00 0.00 59.36 57.86 4xia h GLU 206 Cb 1.19 -0.02 -0.36 0.00 0.63 0.00 0.00 28.75 30.20 4xia h GLU 206 CO 0.66 0.87 0.06 0.72 -0.73 0.00 0.00 179.01 180.59 4xia n HIS 207 N -4.38 3.02 0.27 0.92 8.25 -1.26 -4.81 115.22 117.23 4xia n HIS 207 Ca -0.03 -2.65 0.11 0.00 -0.26 0.00 0.00 57.72 54.89 4xia n HIS 207 Cb 0.39 -0.88 0.52 0.00 1.12 0.00 0.00 29.99 31.14 4xia n HIS 207 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4xia n GLY 208 N -0.79 -1.05 0.30 -1.41 0.00 -1.24 -2.94 105.19 98.06 4xia n GLY 208 Ca 0.53 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.69 4xia n GLY 208 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 4xia h ASP 209 N 0.00 0.61 -0.66 1.61 -0.00 -1.91 -1.68 116.42 114.40 4xia h ASP 209 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 4xia h ASP 209 Cb 0.17 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 39.34 4xia h ASP 209 CO 0.00 0.56 0.00 2.30 -0.00 0.00 0.00 179.24 182.10 4xia n ILE 210 N -4.35 1.05 -4.76 4.15 -5.35 -1.15 -4.93 119.36 104.02 4xia n ILE 210 Ca 0.04 -1.02 -0.33 0.00 -0.27 0.00 0.00 62.75 61.17 4xia n ILE 210 Cb 0.15 0.48 -0.15 0.00 -1.74 0.00 0.00 39.64 38.38 4xia n ILE 210 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 4xia s VAL 211 N -1.06 2.96 0.00 7.28 1.01 -0.63 -1.73 120.40 128.23 4xia s VAL 211 Ca 0.44 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.73 4xia s VAL 211 Cb 0.24 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.38 4xia s VAL 211 CO 0.30 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.53 4xia n GLY 212 N 3.61 4.85 3.60 4.51 0.00 -0.11 -4.91 105.19 116.74 4xia n GLY 212 Ca -0.18 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 4xia n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4xia s LEU 213 N 0.00 3.04 -0.54 0.99 1.43 0.56 -0.52 118.68 123.64 4xia s LEU 213 Ca 0.00 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 4xia s LEU 213 Cb 0.00 -1.64 0.21 0.00 0.03 0.00 0.00 46.19 44.79 4xia s LEU 213 CO 0.00 0.05 0.53 -3.20 0.23 0.00 0.00 176.35 173.96 4xia n ASN 214 N -0.43 1.63 -4.78 2.29 5.15 0.29 -2.42 115.26 116.99 4xia n ASN 214 Ca -0.08 -2.93 -0.36 0.00 -0.60 0.00 0.00 54.58 50.60 4xia n ASN 214 Cb 0.57 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.14 4xia n ASN 214 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 4xia s PRO 215 N -1.28 4.03 -0.05 1.20 0.05 -1.26 -4.38 135.00 133.32 4xia s PRO 215 Ca 0.33 1.55 0.06 0.00 0.05 0.00 0.00 61.00 63.00 4xia s PRO 215 Cb 0.08 -2.46 -0.01 0.00 0.05 0.00 0.00 34.50 32.16 4xia s PRO 215 CO -0.12 -0.27 -0.24 -2.00 0.05 0.00 0.00 177.00 174.42 4xia s GLU 216 N -2.63 2.31 0.18 4.56 2.12 -1.26 -1.39 118.70 122.59 4xia s GLU 216 Ca 0.60 -0.85 -0.22 0.00 0.36 0.00 0.00 54.97 54.86 4xia s GLU 216 Cb -0.23 -2.01 0.09 0.00 0.26 0.00 0.00 34.13 32.24 4xia s GLU 216 CO 0.28 0.39 1.59 1.15 -0.54 0.00 0.00 175.26 178.13 4xia h THR 217 N 4.99 0.18 0.00 -1.70 2.02 -1.78 -2.57 112.91 114.04 4xia h THR 217 Ca -0.34 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 4xia h THR 217 Cb 1.17 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 4xia h THR 217 CO 0.47 0.00 -0.46 1.23 0.37 0.00 0.00 175.52 177.13 4xia h GLY 218 N -0.21 0.00 0.76 2.16 0.00 -1.88 -2.98 103.07 100.92 4xia h GLY 218 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 4xia h GLY 218 CO -0.63 0.00 -0.03 0.45 0.00 0.00 0.00 176.54 176.33 4xia h HIS 219 N 0.00 -0.08 -0.93 5.60 3.86 -1.80 -2.00 115.15 119.80 4xia h HIS 219 Ca -0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 4xia h HIS 219 Cb 0.96 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.41 4xia h HIS 219 CO 0.00 0.17 0.61 0.93 0.86 0.00 0.00 177.93 180.50 4xia h GLU 220 N -0.33 1.21 0.00 2.45 4.39 -1.54 -2.46 114.58 118.29 4xia h GLU 220 Ca -0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.62 4xia h GLU 220 Cb 0.29 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 4xia h GLU 220 CO 0.02 0.80 0.00 1.96 -1.16 0.00 0.00 179.01 180.63 4xia h GLN 221 N 1.25 0.00 0.00 2.33 4.20 -1.44 -2.43 115.11 119.02 4xia h GLN 221 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 4xia h GLN 221 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 4xia h GLN 221 CO -0.08 0.00 0.00 0.52 -0.67 0.00 0.00 178.83 178.60 4xia h MET 222 N 0.00 0.00 -0.02 1.46 2.86 -0.86 -2.44 114.93 115.94 4xia h MET 222 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 4xia h MET 222 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 4xia h MET 222 CO 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 176.91 177.93 4xia n ALA 223 N -1.84 2.55 -1.70 6.32 0.00 -1.08 -4.68 120.51 120.08 4xia n ALA 223 Ca 0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 4xia n ALA 223 Cb 0.32 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 4xia n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4xia n GLY 224 N 0.92 0.57 3.92 0.00 0.00 -0.92 -5.03 105.19 104.65 4xia n GLY 224 Ca 0.09 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 4xia n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4xia s LEU 225 N -2.40 3.10 -0.46 0.99 1.43 -0.94 -4.96 118.68 115.45 4xia s LEU 225 Ca 0.00 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 53.60 4xia s LEU 225 Cb 0.00 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.78 4xia s LEU 225 CO 0.00 -1.22 0.59 0.21 0.23 0.00 0.00 176.35 176.16 4xia s ASN 226 N -4.36 6.26 0.14 2.29 3.84 -1.26 -4.19 114.94 117.65 4xia s ASN 226 Ca 0.56 -0.60 -0.18 0.00 0.21 0.00 0.00 52.86 52.85 4xia s ASN 226 Cb -0.11 -2.29 -0.01 0.00 -0.55 0.00 0.00 41.25 38.29 4xia s ASN 226 CO 0.46 -0.77 1.76 0.15 -2.79 0.00 0.00 177.10 175.90 4xia h PHE 227 N 8.89 0.22 -0.87 0.43 3.04 -1.91 -0.68 116.94 126.04 4xia h PHE 227 Ca -0.26 0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.78 4xia h PHE 227 Cb 1.10 -0.06 -0.07 0.00 2.56 0.00 0.00 35.95 39.48 4xia h PHE 227 CO 0.71 0.12 0.53 1.15 -2.02 0.00 0.00 178.31 178.80 4xia h THR 228 N 0.26 0.99 -0.51 4.41 2.02 -1.93 -0.01 112.91 118.12 4xia h THR 228 Ca 0.11 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 4xia h THR 228 Cb 0.05 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 4xia h THR 228 CO -0.09 0.17 -0.14 0.45 0.37 0.00 0.00 175.52 176.28 4xia h HIS 229 N 0.93 1.11 -0.34 3.16 3.86 -1.82 -2.32 115.15 119.73 4xia h HIS 229 Ca 0.40 -0.24 -0.07 0.00 -1.16 0.00 0.00 60.37 59.30 4xia h HIS 229 Cb 0.27 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 4xia h HIS 229 CO -0.04 1.05 -0.08 0.78 0.86 0.00 0.00 177.93 180.50 4xia h GLY 230 N 0.93 0.70 2.00 2.45 0.00 -0.44 -1.95 103.07 106.76 4xia h GLY 230 Ca 0.13 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 4xia h GLY 230 CO 0.05 0.53 -0.36 0.16 0.00 0.00 0.00 176.54 176.92 4xia h ILE 231 N 0.44 0.94 -0.35 2.60 3.07 -0.99 -2.28 117.51 120.94 4xia h ILE 231 Ca 0.09 -1.40 -0.09 0.00 1.55 0.00 0.00 64.86 65.01 4xia h ILE 231 Cb 0.58 1.83 -0.02 0.00 -0.27 0.00 0.00 36.82 38.94 4xia h ILE 231 CO 0.03 0.35 -0.15 0.00 -1.05 0.00 0.00 178.15 177.34 4xia h ALA 232 N 1.64 1.09 -0.22 0.16 0.00 -1.21 -0.91 119.26 119.81 4xia h ALA 232 Ca -0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 4xia h ALA 232 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 4xia h ALA 232 CO 0.05 0.56 -0.52 0.37 0.00 0.00 0.00 179.25 179.71 4xia h GLN 233 N 0.57 0.63 -0.39 0.00 4.15 -0.82 -2.24 115.11 117.00 4xia h GLN 233 Ca 0.10 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 59.09 4xia h GLN 233 Cb 0.58 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 4xia h GLN 233 CO 0.04 0.99 0.06 0.00 -1.93 0.00 0.00 178.83 177.99 4xia h ALA 234 N 0.94 0.52 0.21 3.38 0.00 -1.06 -2.27 119.26 120.97 4xia h ALA 234 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 4xia h ALA 234 Cb 1.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 4xia h ALA 234 CO 0.10 0.22 -0.20 -0.07 0.00 0.00 0.00 179.25 179.31 4xia h LEU 235 N 0.49 -0.52 -1.04 0.00 3.38 -1.14 0.18 115.31 116.66 4xia h LEU 235 Ca 0.12 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.24 4xia h LEU 235 Cb 0.36 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 4xia h LEU 235 CO 0.01 -0.29 0.63 -0.25 0.09 0.00 0.00 178.44 178.62 4xia h TRP 236 N -0.43 1.14 -0.01 1.13 7.01 -1.37 0.30 115.95 123.71 4xia h TRP 236 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 4xia h TRP 236 Cb 0.40 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 4xia h TRP 236 CO -0.14 0.50 -0.02 0.00 -2.79 0.00 0.00 178.44 175.99 4xia n ALA 237 N -2.36 2.64 -3.45 2.65 0.00 -0.86 -4.92 120.51 114.21 4xia n ALA 237 Ca 0.18 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 4xia n ALA 237 Cb 0.30 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.51 4xia n ALA 237 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 4xia n GLU 238 N -0.35 -3.89 -0.11 0.00 1.02 0.10 -4.92 120.64 112.50 4xia n GLU 238 Ca 0.20 0.76 0.02 0.00 -0.02 0.00 0.00 57.16 58.12 4xia n GLU 238 Cb 0.26 -5.49 0.02 0.00 -0.02 0.00 0.00 31.44 26.22 4xia n GLU 238 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 4xia n LYS 239 N -3.82 1.12 -2.96 3.49 4.76 0.56 -4.96 118.16 116.36 4xia n LYS 239 Ca -0.18 -1.26 -0.44 0.00 -2.87 0.00 0.00 58.31 53.56 4xia n LYS 239 Cb 0.64 -0.82 -0.03 0.00 -1.84 0.00 0.00 35.03 32.98 4xia n LYS 239 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 4xia s LEU 240 N -0.80 5.19 0.10 -0.35 2.96 -1.20 -0.32 118.68 124.25 4xia s LEU 240 Ca 0.06 -2.08 0.13 0.00 -0.22 0.00 0.00 54.13 52.01 4xia s LEU 240 Cb 0.05 -2.38 -0.13 0.00 0.50 0.00 0.00 46.19 44.22 4xia s LEU 240 CO 0.01 -1.03 1.05 -0.26 -1.32 0.00 0.00 176.35 174.80 4xia h PHE 241 N 8.76 0.00 -3.07 5.38 -1.00 -1.84 -3.46 116.94 121.71 4xia h PHE 241 Ca 0.15 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.96 4xia h PHE 241 Cb 1.03 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.52 4xia h PHE 241 CO 1.15 0.77 0.18 -1.58 -1.61 0.00 0.00 178.31 177.23 4xia s HIS 242 N -2.80 -0.20 -0.06 -0.55 2.46 -1.09 -4.83 115.29 108.22 4xia s HIS 242 Ca -0.01 -0.20 -0.11 0.00 0.47 0.00 0.00 55.06 55.22 4xia s HIS 242 Cb 0.09 0.62 0.02 0.00 -0.13 0.00 0.00 32.58 33.18 4xia s HIS 242 CO 0.80 -1.13 0.26 -1.50 -2.47 0.00 0.00 174.74 170.70 4xia s ILE 243 N -3.89 0.03 -0.25 0.89 2.07 -1.26 -4.00 121.20 114.79 4xia s ILE 243 Ca 0.10 -0.28 -0.03 0.00 -1.41 0.00 0.00 60.65 59.03 4xia s ILE 243 Cb -0.04 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.10 4xia s ILE 243 CO 0.03 -0.15 -0.04 -1.81 -1.91 0.00 0.00 174.94 171.06 4xia s ASP 244 N -0.61 4.42 -0.13 4.50 1.11 -0.49 -3.56 116.67 121.91 4xia s ASP 244 Ca -0.07 -0.78 -0.04 0.00 0.18 0.00 0.00 52.55 51.84 4xia s ASP 244 Cb -0.04 -1.70 -0.03 0.00 1.07 0.00 0.00 42.92 42.21 4xia s ASP 244 CO 0.02 -0.12 0.00 -0.76 1.18 0.00 0.00 175.17 175.49 4xia s LEU 245 N 1.37 3.53 0.00 1.23 1.43 0.88 -2.38 118.68 124.74 4xia s LEU 245 Ca 0.01 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 4xia s LEU 245 Cb -0.16 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 4xia s LEU 245 CO -0.03 0.27 0.00 -0.46 0.23 0.00 0.00 176.35 176.35 4xia n ASN 246 N 2.88 0.00 -4.21 2.29 0.23 -1.26 -1.95 115.26 113.24 4xia n ASN 246 Ca -0.18 -0.97 -0.17 0.00 -0.53 0.00 0.00 54.58 52.73 4xia n ASN 246 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 4xia n ASN 246 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 4xia s GLY 247 N -1.57 0.98 -0.09 4.83 0.00 0.07 -4.38 107.32 107.16 4xia s GLY 247 Ca 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 44.72 43.44 4xia s GLY 247 CO 0.00 -1.29 0.21 1.62 0.00 0.00 0.00 173.10 173.64 4xia s GLN 248 N -2.63 0.19 -0.89 2.90 2.00 -1.26 -0.35 119.66 119.62 4xia s GLN 248 Ca 0.07 0.43 0.01 0.00 -2.00 0.00 0.00 55.36 53.86 4xia s GLN 248 Cb -0.05 -0.07 0.30 0.00 0.80 0.00 0.00 33.01 33.99 4xia s GLN 248 CO 0.02 -0.13 1.32 0.54 -0.50 0.00 0.00 175.29 176.54 4xia n ARG 249 N 3.89 4.09 0.00 1.67 1.74 -1.26 -3.21 116.66 123.58 4xia n ARG 249 Ca -0.22 -4.67 0.00 0.00 -0.77 0.00 0.00 57.85 52.19 4xia n ARG 249 Cb 0.54 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 4xia n ARG 249 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4xia n GLY 250 N 0.60 -2.80 3.58 -0.13 0.00 -1.26 -4.89 105.19 100.29 4xia n GLY 250 Ca 0.33 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 4xia n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4xia s ILE 251 N -0.95 4.23 -0.00 -0.61 1.01 -1.26 -4.60 121.20 119.01 4xia s ILE 251 Ca 0.00 0.93 -0.05 0.00 0.00 0.00 0.00 60.65 61.53 4xia s ILE 251 Cb 0.00 -4.60 0.02 0.00 0.01 0.00 0.00 42.46 37.89 4xia s ILE 251 CO 0.00 -1.08 0.21 2.29 0.00 0.00 0.00 174.94 176.36 4xia n LYS 252 N 7.83 0.03 -1.19 2.79 2.85 -1.26 -5.10 118.16 124.11 4xia n LYS 252 Ca 0.09 -0.13 -0.36 0.00 -1.05 0.00 0.00 58.31 56.87 4xia n LYS 252 Cb 0.49 0.21 0.08 0.00 -0.65 0.00 0.00 35.03 35.15 4xia n LYS 252 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 4xia n TYR 253 N -0.15 -0.79 -2.34 5.58 0.18 -1.26 -4.87 117.16 113.52 4xia n TYR 253 Ca 0.01 0.33 -0.43 0.00 1.88 0.00 0.00 57.90 59.69 4xia n TYR 253 Cb 0.09 -1.91 -0.02 0.00 -0.38 0.00 0.00 39.34 37.12 4xia n TYR 253 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 4xia s ASP 254 N -1.58 6.36 0.06 9.48 -4.77 -1.26 -4.90 116.67 120.05 4xia s ASP 254 Ca 0.65 0.91 -0.10 0.00 -3.30 0.00 0.00 52.55 50.70 4xia s ASP 254 Cb -0.32 -2.54 -0.31 0.00 -1.09 0.00 0.00 42.92 38.66 4xia s ASP 254 CO 0.59 -1.40 1.08 1.56 0.70 0.00 0.00 175.17 177.71 4xia h GLN 255 N 10.61 0.42 -5.60 2.11 4.20 -1.89 -3.49 115.11 121.47 4xia h GLN 255 Ca -0.28 -0.70 -0.33 0.00 0.06 0.00 0.00 58.65 57.41 4xia h GLN 255 Cb 1.11 0.26 0.17 0.00 0.30 0.00 0.00 27.48 29.31 4xia h GLN 255 CO 1.08 1.33 -0.76 -0.25 -0.67 0.00 0.00 178.83 179.55 4xia n ASP 256 N -3.64 -2.09 -4.61 1.46 8.00 -1.22 -4.68 116.55 109.77 4xia n ASP 256 Ca -0.12 -0.61 -0.29 0.00 0.71 0.00 0.00 54.79 54.47 4xia n ASP 256 Cb 1.05 -5.08 0.12 0.00 -0.02 0.00 0.00 41.12 37.20 4xia n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 4xia s LEU 257 N -6.30 2.62 0.58 0.64 1.43 0.52 -0.86 118.68 117.31 4xia s LEU 257 Ca 0.01 0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 53.43 4xia s LEU 257 Cb -0.00 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 4xia s LEU 257 CO 0.72 -2.19 1.34 -0.69 0.23 0.00 0.00 176.35 175.76 4xia s VAL 258 N -3.66 2.07 0.15 -1.59 1.01 -1.26 -0.75 120.40 116.37 4xia s VAL 258 Ca 0.66 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 4xia s VAL 258 Cb -0.08 -3.02 -0.11 0.00 0.00 0.00 0.00 36.38 33.17 4xia s VAL 258 CO 0.50 -0.00 1.79 0.12 0.00 0.00 0.00 175.10 177.50 4xia s PHE 259 N -1.34 2.41 0.00 5.22 5.36 -1.26 -1.01 117.98 127.36 4xia s PHE 259 Ca 0.75 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 4xia s PHE 259 Cb -0.39 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.13 4xia s PHE 259 CO 0.45 -4.64 0.00 0.41 -1.46 0.00 0.00 175.22 169.97 4xia n GLY 260 N 4.14 0.35 0.57 13.12 0.00 -1.26 -4.73 105.19 117.38 4xia n GLY 260 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 4xia n GLY 260 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4xia n HIS 261 N -2.00 0.15 0.00 1.61 8.25 -0.18 -4.50 115.22 118.54 4xia n HIS 261 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 4xia n HIS 261 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 4xia n HIS 261 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4xia n GLY 262 N 1.17 1.07 3.57 -1.41 0.00 -1.26 -4.83 105.19 103.50 4xia n GLY 262 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 4xia n GLY 262 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4xia s ASP 263 N -0.08 6.39 0.04 1.61 3.68 -1.20 -4.90 116.67 122.22 4xia s ASP 263 Ca 0.00 -0.01 -0.23 0.00 2.13 0.00 0.00 52.55 54.44 4xia s ASP 263 Cb 0.00 -2.55 -0.15 0.00 -1.45 0.00 0.00 42.92 38.76 4xia s ASP 263 CO 0.00 -1.55 1.51 0.25 0.13 0.00 0.00 175.17 175.51 4xia h LEU 264 N 12.14 0.09 -0.66 -1.34 5.85 -1.95 -2.06 115.31 127.39 4xia h LEU 264 Ca -0.26 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 4xia h LEU 264 Cb 1.06 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 4xia h LEU 264 CO 1.20 0.33 0.23 0.74 -0.34 0.00 0.00 178.44 180.60 4xia h THR 265 N -0.15 1.25 -0.36 1.05 2.02 -1.95 -0.29 112.91 114.48 4xia h THR 265 Ca 0.02 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.39 4xia h THR 265 Cb 0.27 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 4xia h THR 265 CO 0.00 0.32 0.22 -1.28 0.37 0.00 0.00 175.52 175.15 4xia h SER 266 N 0.94 0.42 -0.56 4.18 0.87 -1.96 -1.66 113.55 115.78 4xia h SER 266 Ca 0.22 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.83 4xia h SER 266 Cb 0.26 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.04 4xia h SER 266 CO -0.01 0.33 0.17 0.00 -0.53 0.00 0.00 176.83 176.79 4xia h ALA 267 N 1.11 0.69 -0.00 6.23 0.00 -0.77 -0.39 119.26 126.12 4xia h ALA 267 Ca 0.13 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.16 4xia h ALA 267 Cb -0.02 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 4xia h ALA 267 CO -0.03 -0.24 -0.38 0.35 0.00 0.00 0.00 179.25 178.95 4xia h PHE 268 N 0.33 -1.06 0.00 0.00 3.57 -0.69 -1.14 116.94 117.96 4xia h PHE 268 Ca 0.28 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 4xia h PHE 268 Cb 0.36 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 4xia h PHE 268 CO -0.19 -0.46 -0.35 0.74 -2.23 0.00 0.00 178.31 175.81 4xia h PHE 269 N -0.53 0.00 -0.29 0.41 -1.00 -0.93 -1.14 116.94 113.46 4xia h PHE 269 Ca 0.05 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 4xia h PHE 269 Cb 0.62 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 4xia h PHE 269 CO -0.39 0.35 -0.17 1.15 -1.61 0.00 0.00 178.31 177.64 4xia h THR 270 N 0.00 1.30 -0.25 -1.55 2.02 -0.65 -2.21 112.91 111.56 4xia h THR 270 Ca -0.00 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 4xia h THR 270 Cb 0.69 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 4xia h THR 270 CO 0.05 0.41 0.14 0.58 0.37 0.00 0.00 175.52 177.07 4xia h VAL 271 N 0.37 1.11 -0.54 3.16 2.07 -0.88 -0.10 116.25 121.43 4xia h VAL 271 Ca 0.06 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.38 4xia h VAL 271 Cb 0.71 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 4xia h VAL 271 CO 0.05 0.11 0.13 -0.78 0.02 0.00 0.00 177.57 177.10 4xia h ASP 272 N 0.30 0.05 0.06 0.57 1.82 -1.17 0.23 116.42 118.29 4xia h ASP 272 Ca 0.09 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 4xia h ASP 272 Cb 0.05 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.18 4xia h ASP 272 CO -0.02 0.05 -0.03 0.25 -1.61 0.00 0.00 179.24 177.89 4xia h LEU 273 N 0.28 -0.07 -0.42 2.28 6.46 -1.16 0.72 115.31 123.41 4xia h LEU 273 Ca 0.27 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 4xia h LEU 273 Cb 0.37 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 4xia h LEU 273 CO -0.33 0.11 0.25 -0.07 -0.62 0.00 0.00 178.44 177.78 4xia h LEU 274 N -0.24 0.50 0.03 2.25 3.38 0.15 -1.66 115.31 119.72 4xia h LEU 274 Ca -0.01 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 4xia h LEU 274 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 4xia h LEU 274 CO 0.01 0.41 -0.77 -0.33 0.09 0.00 0.00 178.44 177.85 4xia h GLU 275 N 0.55 0.07 0.00 1.13 4.39 -0.58 -3.41 114.58 116.74 4xia h GLU 275 Ca 0.15 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.73 4xia h GLU 275 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 4xia h GLU 275 CO -0.03 1.06 -0.75 -0.91 -1.16 0.00 0.00 179.01 177.22 4xia h ASN 276 N -0.82 0.00 -1.05 1.42 2.35 0.34 -3.51 115.58 114.32 4xia h ASN 276 Ca -0.19 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 4xia h ASN 276 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 4xia h ASN 276 CO -0.05 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 4xia n GLY 277 N 1.28 -0.94 3.79 2.83 0.00 -0.62 -4.80 105.19 106.72 4xia n GLY 277 Ca 0.02 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 4xia n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4xia s PHE 278 N 0.00 3.86 0.41 1.61 0.40 -1.26 -4.59 117.98 118.40 4xia s PHE 278 Ca 0.00 1.48 0.18 0.00 -0.60 0.00 0.00 56.93 57.99 4xia s PHE 278 Cb 0.00 -2.66 1.10 0.00 0.51 0.00 0.00 43.02 41.96 4xia s PHE 278 CO 0.00 0.53 1.81 -1.35 0.70 0.00 0.00 175.22 176.91 4xia h PRO 279 N 4.51 0.39 -0.66 0.24 0.11 -1.97 0.58 132.00 135.21 4xia h PRO 279 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 4xia h PRO 279 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 4xia h PRO 279 CO 0.65 0.26 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 4xia n ASN 280 N -4.55 3.91 0.00 -2.05 3.02 -1.26 -5.04 115.26 109.30 4xia n ASN 280 Ca 0.22 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 4xia n ASN 280 Cb 0.79 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 4xia n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 4xia n GLY 281 N 1.37 0.43 0.00 7.41 0.00 0.20 -5.09 105.19 109.51 4xia n GLY 281 Ca 0.23 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.44 4xia n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4xia n GLY 282 N 0.60 0.74 3.71 -0.02 0.00 -1.26 -4.64 105.19 104.32 4xia n GLY 282 Ca 0.00 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 4xia n GLY 282 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 4xia s PRO 283 N -1.59 1.52 0.03 1.61 0.04 -1.26 -4.83 135.00 130.52 4xia s PRO 283 Ca 0.00 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.56 4xia s PRO 283 Cb 0.00 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 4xia s PRO 283 CO 0.00 -2.25 -0.17 0.15 0.04 0.00 0.00 177.00 174.77 4xia s LYS 284 N -4.64 1.19 0.02 4.56 1.02 -1.26 -4.65 119.74 115.98 4xia s LYS 284 Ca 0.66 -0.82 -0.28 0.00 0.02 0.00 0.00 55.97 55.55 4xia s LYS 284 Cb -0.22 -1.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 4xia s LYS 284 CO 0.56 0.32 0.91 -0.47 -0.92 0.00 0.00 175.35 175.74 4xia s TYR 285 N -0.76 3.69 -0.21 3.18 5.04 -1.26 -4.98 117.35 122.05 4xia s TYR 285 Ca 0.05 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.32 4xia s TYR 285 Cb -0.08 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 39.21 4xia s TYR 285 CO 0.01 0.09 0.41 -2.37 -1.34 0.00 0.00 175.55 172.35 4xia n THR 286 N 3.51 0.00 -0.11 4.34 5.66 -1.26 -4.97 114.28 121.45 4xia n THR 286 Ca 0.03 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 4xia n THR 286 Cb 0.51 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 4xia n THR 286 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 4xia n GLY 287 N 0.42 -1.05 3.77 1.09 0.00 -1.26 -5.04 105.19 103.11 4xia n GLY 287 Ca 0.01 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 4xia n GLY 287 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 4xia s PRO 288 N -0.36 2.88 -0.64 1.61 0.04 -1.26 -4.97 135.00 132.30 4xia s PRO 288 Ca 0.00 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 4xia s PRO 288 Cb 0.00 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.75 4xia s PRO 288 CO 0.00 -1.20 0.54 1.03 0.04 0.00 0.00 177.00 177.40 4xia s ARG 289 N -3.87 2.97 -0.14 4.56 3.00 -0.34 -4.38 118.95 120.76 4xia s ARG 289 Ca 0.69 -2.18 -0.10 0.00 0.00 0.00 0.00 55.73 54.14 4xia s ARG 289 Cb -0.22 -4.11 -0.05 0.00 0.00 0.00 0.00 34.95 30.57 4xia s ARG 289 CO 0.38 -1.24 0.19 -1.58 0.00 0.00 0.00 175.30 173.05 4xia s HIS 290 N 0.65 3.53 -0.29 -0.53 2.46 -1.23 -1.61 115.29 118.26 4xia s HIS 290 Ca 0.12 0.53 -0.06 0.00 0.47 0.00 0.00 55.06 56.12 4xia s HIS 290 Cb -0.20 -2.11 0.01 0.00 -0.13 0.00 0.00 32.58 30.15 4xia s HIS 290 CO -0.04 0.50 0.05 -0.06 -2.47 0.00 0.00 174.74 172.73 4xia s PHE 291 N -0.34 3.14 -0.73 3.88 0.40 -0.89 -0.09 117.98 123.36 4xia s PHE 291 Ca 0.14 -1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 55.30 4xia s PHE 291 Cb -0.12 -2.21 0.19 0.00 0.51 0.00 0.00 43.02 41.38 4xia s PHE 291 CO 0.03 -0.62 0.58 0.34 0.70 0.00 0.00 175.22 176.26 4xia s ASP 292 N 1.46 5.70 0.32 1.36 3.68 -0.82 -3.89 116.67 124.47 4xia s ASP 292 Ca 0.02 -3.02 0.05 0.00 2.13 0.00 0.00 52.55 51.73 4xia s ASP 292 Cb -0.17 -1.94 -0.03 0.00 -1.45 0.00 0.00 42.92 39.33 4xia s ASP 292 CO 0.01 -0.36 0.23 -0.72 0.13 0.00 0.00 175.17 174.46 4xia s TYR 293 N -0.32 1.68 -0.05 -5.34 -0.85 -1.26 -4.55 117.35 106.65 4xia s TYR 293 Ca 0.20 -1.56 0.01 0.00 -0.52 0.00 0.00 57.07 55.19 4xia s TYR 293 Cb -0.16 -0.77 0.02 0.00 0.38 0.00 0.00 41.96 41.44 4xia s TYR 293 CO -0.06 -0.74 -0.03 0.15 -1.52 0.00 0.00 175.55 173.34 4xia s LYS 294 N -3.60 0.78 0.08 -3.49 1.02 -0.04 -4.38 119.74 110.11 4xia s LYS 294 Ca 0.38 -0.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.00 4xia s LYS 294 Cb 0.03 -0.87 -0.09 0.00 -0.52 0.00 0.00 37.83 36.39 4xia s LYS 294 CO 0.23 -0.13 1.70 -2.14 -0.92 0.00 0.00 175.35 174.09 4xia s PRO 295 N 1.14 4.18 0.21 -1.68 0.02 -1.26 -4.69 135.00 132.92 4xia s PRO 295 Ca -0.08 2.40 -0.30 0.00 0.02 0.00 0.00 61.00 63.04 4xia s PRO 295 Cb -0.14 -3.60 -0.16 0.00 0.02 0.00 0.00 34.50 30.62 4xia s PRO 295 CO -0.01 -0.76 0.90 0.43 -0.33 0.00 0.00 177.00 177.23 4xia n SER 296 N 5.64 0.44 0.00 2.53 7.64 -1.26 -4.82 113.62 123.79 4xia n SER 296 Ca 0.16 1.15 0.04 0.00 1.01 0.00 0.00 58.87 61.24 4xia n SER 296 Cb 0.40 -1.14 0.19 0.00 -1.01 0.00 0.00 64.21 62.65 4xia n SER 296 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 4xia n ARG 297 N 1.13 0.05 0.13 1.43 1.85 -1.26 -2.70 116.66 117.30 4xia n ARG 297 Ca 0.14 0.29 -0.01 0.00 -1.00 0.00 0.00 57.85 57.27 4xia n ARG 297 Cb 0.26 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.32 4xia n ARG 297 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 4xia h THR 298 N 0.00 1.43 -2.99 8.89 1.35 -1.98 -3.45 112.91 116.16 4xia h THR 298 Ca 0.00 -2.22 -0.61 0.00 -0.55 0.00 0.00 66.41 63.02 4xia h THR 298 Cb 0.11 2.21 -0.05 0.00 -1.73 0.00 0.00 68.15 68.69 4xia h THR 298 CO 0.00 0.63 -0.23 -1.81 -0.25 0.00 0.00 175.52 173.86 4xia s ASP 299 N -6.80 6.76 0.86 5.36 1.11 -1.10 -5.11 116.67 117.75 4xia s ASP 299 Ca -0.01 0.91 -0.05 0.00 0.18 0.00 0.00 52.55 53.58 4xia s ASP 299 Cb 0.12 -2.23 0.08 0.00 1.07 0.00 0.00 42.92 41.96 4xia s ASP 299 CO 0.76 0.31 0.49 0.61 1.18 0.00 0.00 175.17 178.53 4xia n GLY 300 N 1.72 -0.68 0.26 0.21 0.00 -1.26 -4.81 105.19 100.64 4xia n GLY 300 Ca -0.14 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.23 4xia n GLY 300 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 4xia h TYR 301 N -1.06 0.00 -0.52 1.61 -1.99 -1.99 -1.50 116.97 111.52 4xia h TYR 301 Ca -0.16 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.54 4xia h TYR 301 Cb 0.48 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 4xia h TYR 301 CO 0.00 0.12 0.23 -0.44 -0.00 0.00 0.00 178.16 178.07 4xia h ASP 302 N 0.00 0.70 -0.87 3.88 3.45 -2.01 -1.92 116.42 119.67 4xia h ASP 302 Ca -0.00 -0.15 0.02 0.00 0.43 0.00 0.00 57.03 57.33 4xia h ASP 302 Cb 0.31 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.85 4xia h ASP 302 CO 0.02 0.66 0.57 1.23 -1.57 0.00 0.00 179.24 180.14 4xia h GLY 303 N 0.70 1.23 0.65 2.75 0.00 -1.63 -1.56 103.07 105.20 4xia h GLY 303 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.07 4xia h GLY 303 CO -0.02 0.41 -0.32 -2.08 0.00 0.00 0.00 176.54 174.53 4xia h VAL 304 N 1.13 0.34 -0.42 4.60 2.07 -0.98 0.25 116.25 123.25 4xia h VAL 304 Ca 0.33 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.78 4xia h VAL 304 Cb -0.06 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 4xia h VAL 304 CO -0.09 0.00 -0.04 -0.50 0.02 0.00 0.00 177.57 176.96 4xia h TRP 305 N -0.66 0.74 -0.22 1.57 4.06 -1.26 -1.86 115.95 118.33 4xia h TRP 305 Ca -0.01 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 60.86 4xia h TRP 305 Cb 0.60 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 4xia h TRP 305 CO -0.19 0.73 0.03 -0.44 -3.56 0.00 0.00 178.44 175.00 4xia h ASP 306 N 0.65 -0.02 -0.58 -3.49 3.45 -1.02 -1.39 116.42 114.02 4xia h ASP 306 Ca 0.12 0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.57 4xia h ASP 306 Cb 0.47 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.27 4xia h ASP 306 CO 0.02 0.02 0.19 0.77 -1.57 0.00 0.00 179.24 178.68 4xia h SER 307 N 0.11 0.86 -0.46 6.45 4.64 0.19 0.46 113.55 125.81 4xia h SER 307 Ca 0.10 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 4xia h SER 307 Cb 0.10 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 4xia h SER 307 CO -0.14 0.81 0.20 0.00 -0.87 0.00 0.00 176.83 176.83 4xia h ALA 308 N 1.31 0.59 -0.38 5.18 0.00 -1.13 -2.15 119.26 122.67 4xia h ALA 308 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 4xia h ALA 308 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 4xia h ALA 308 CO -0.01 0.18 0.01 -0.22 0.00 0.00 0.00 179.25 179.21 4xia h LYS 309 N 0.59 0.67 -0.81 0.00 3.64 -0.61 -2.99 116.57 117.06 4xia h LYS 309 Ca 0.15 -0.21 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 4xia h LYS 309 Cb 0.16 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 4xia h LYS 309 CO -0.02 0.77 0.48 0.00 -2.27 0.00 0.00 179.45 178.41 4xia h ALA 310 N 0.88 1.13 -0.02 5.00 0.00 0.15 -0.03 119.26 126.38 4xia h ALA 310 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 4xia h ALA 310 Cb 0.46 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 4xia h ALA 310 CO 0.02 0.15 -0.34 -0.91 0.00 0.00 0.00 179.25 178.17 4xia h ASN 311 N 0.84 -1.02 -0.55 0.00 2.35 -1.24 0.18 115.58 116.13 4xia h ASN 311 Ca 0.37 0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 56.16 4xia h ASN 311 Cb 0.27 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 4xia h ASN 311 CO -0.21 -0.40 -0.04 0.24 -1.65 0.00 0.00 177.43 175.37 4xia h MET 312 N -0.48 1.02 -0.25 0.81 2.86 -1.44 -2.27 114.93 115.18 4xia h MET 312 Ca 0.06 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 4xia h MET 312 Cb 0.58 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 4xia h MET 312 CO -0.29 1.02 0.11 0.77 1.06 0.00 0.00 176.91 179.58 4xia h SER 313 N 0.92 0.35 0.10 1.22 0.02 -0.52 -0.46 113.55 115.19 4xia h SER 313 Ca 0.16 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 4xia h SER 313 Cb 0.59 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 4xia h SER 313 CO 0.04 0.41 -0.25 0.24 -1.14 0.00 0.00 176.83 176.12 4xia h MET 314 N 0.26 -0.43 -0.26 3.45 2.07 -0.59 0.16 114.93 119.60 4xia h MET 314 Ca 0.09 0.03 0.06 0.00 -2.07 0.00 0.00 59.70 57.80 4xia h MET 314 Cb 0.17 0.10 -0.06 0.00 -1.87 0.00 0.00 31.60 29.94 4xia h MET 314 CO -0.01 -0.29 -0.11 -0.92 1.07 0.00 0.00 176.91 176.66 4xia h TYR 315 N -0.45 -0.25 -0.64 -0.22 5.03 -1.35 0.40 116.97 119.49 4xia h TYR 315 Ca 0.03 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 4xia h TYR 315 Cb 0.48 0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.88 4xia h TYR 315 CO -0.24 -0.17 0.29 -0.07 -1.32 0.00 0.00 178.16 176.66 4xia h LEU 316 N -0.07 0.86 -0.48 2.82 3.38 -0.68 0.16 115.31 121.30 4xia h LEU 316 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 4xia h LEU 316 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 4xia h LEU 316 CO -0.30 0.76 0.26 -0.07 0.09 0.00 0.00 178.44 179.18 4xia h LEU 317 N 0.89 0.60 -0.61 1.67 3.38 -0.40 -1.46 115.31 119.39 4xia h LEU 317 Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 4xia h LEU 317 Cb 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 4xia h LEU 317 CO -0.02 0.52 0.22 -0.07 0.09 0.00 0.00 178.44 179.17 4xia h LEU 318 N 0.64 0.87 -0.55 1.67 3.38 -0.61 -2.34 115.31 118.35 4xia h LEU 318 Ca 0.17 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.00 4xia h LEU 318 Cb 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 4xia h LEU 318 CO -0.03 0.82 0.29 0.50 0.09 0.00 0.00 178.44 180.12 4xia h LYS 319 N 0.86 0.54 0.05 1.13 3.64 -0.77 0.13 116.57 122.15 4xia h LYS 319 Ca 0.20 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 4xia h LYS 319 Cb 0.25 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 4xia h LYS 319 CO -0.01 0.36 -0.08 1.49 -2.27 0.00 0.00 179.45 178.93 4xia h GLU 320 N 0.55 -0.16 -0.51 1.90 4.81 -0.98 -1.00 114.58 119.20 4xia h GLU 320 Ca 0.24 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 4xia h GLU 320 Cb 0.14 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 4xia h GLU 320 CO -0.16 -0.11 0.22 0.00 -0.73 0.00 0.00 179.01 178.23 4xia h ARG 321 N -0.17 0.75 -0.29 1.92 3.08 -1.14 -1.70 114.38 116.83 4xia h ARG 321 Ca 0.01 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 4xia h ARG 321 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 4xia h ARG 321 CO -0.05 0.65 -0.06 0.00 -1.07 0.00 0.00 179.97 179.44 4xia h ALA 322 N 1.06 1.35 -0.06 0.04 0.00 -0.53 0.12 119.26 121.26 4xia h ALA 322 Ca 0.17 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 4xia h ALA 322 Cb 0.17 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.84 4xia h ALA 322 CO -0.02 0.44 -0.95 -0.07 0.00 0.00 0.00 179.25 178.65 4xia h LEU 323 N 0.44 0.93 -0.49 0.00 3.38 -1.06 -2.88 115.31 115.63 4xia h LEU 323 Ca 0.09 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 4xia h LEU 323 Cb 0.39 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 4xia h LEU 323 CO 0.02 1.49 0.19 0.00 0.09 0.00 0.00 178.44 180.24 4xia h ALA 324 N 0.46 0.64 0.28 1.53 0.00 -1.05 -2.73 119.26 118.39 4xia h ALA 324 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 4xia h ALA 324 Cb 1.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 4xia h ALA 324 CO 0.19 0.25 -0.28 0.35 0.00 0.00 0.00 179.25 179.76 4xia h PHE 325 N 0.65 -0.75 0.00 0.00 -0.00 -0.78 -2.13 116.94 113.93 4xia h PHE 325 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.14 4xia h PHE 325 Cb 0.20 0.29 0.00 0.00 -0.00 0.00 0.00 35.95 36.44 4xia h PHE 325 CO 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 178.31 177.91 4xia h ARG 326 N -0.60 0.00 0.00 1.11 2.47 -1.49 -2.90 114.38 112.97 4xia h ARG 326 Ca -0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 4xia h ARG 326 Cb 0.55 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 4xia h ARG 326 CO -0.06 0.00 -0.40 0.00 0.56 0.00 0.00 179.97 180.07 4xia h ALA 327 N 2.02 0.80 -2.36 0.04 0.00 -1.30 -3.44 119.26 115.03 4xia h ALA 327 Ca 0.00 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 4xia h ALA 327 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 4xia h ALA 327 CO 0.00 0.06 0.96 0.34 0.00 0.00 0.00 179.25 180.61 4xia s ASP 328 N -5.93 6.73 0.37 0.00 -1.08 -0.82 -4.91 116.67 111.03 4xia s ASP 328 Ca 0.04 2.24 0.07 0.00 -0.52 0.00 0.00 52.55 54.38 4xia s ASP 328 Cb 0.07 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.75 4xia s ASP 328 CO 0.72 -0.83 1.96 -0.65 0.52 0.00 0.00 175.17 176.89 4xia h PRO 329 N 8.47 0.69 -0.26 4.34 0.11 -1.89 -0.49 132.00 142.97 4xia h PRO 329 Ca -0.39 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 4xia h PRO 329 Cb 1.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 4xia h PRO 329 CO 0.93 0.46 0.08 0.93 -0.21 0.00 0.00 178.00 180.18 4xia h GLU 330 N 0.71 0.40 -0.54 1.05 5.08 -1.95 -0.82 114.58 118.51 4xia h GLU 330 Ca 0.31 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 4xia h GLU 330 Cb 0.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 4xia h GLU 330 CO -0.10 0.48 0.19 0.28 -1.00 0.00 0.00 179.01 178.86 4xia h VAL 331 N 0.25 1.23 -0.86 3.13 2.07 -1.50 0.30 116.25 120.86 4xia h VAL 331 Ca 0.08 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.87 4xia h VAL 331 Cb 0.25 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 4xia h VAL 331 CO -0.00 0.28 0.57 1.56 0.02 0.00 0.00 177.57 180.00 4xia h GLN 332 N 0.75 1.12 -0.23 1.57 1.08 -0.92 -1.65 115.11 116.83 4xia h GLN 332 Ca 0.18 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 4xia h GLN 332 Cb 0.25 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 4xia h GLN 332 CO -0.01 0.74 0.00 1.49 -0.95 0.00 0.00 178.83 180.11 4xia h GLU 333 N 1.16 0.40 -0.84 1.46 4.81 -0.85 -2.81 114.58 117.90 4xia h GLU 333 Ca 0.32 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 4xia h GLU 333 Cb -0.12 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 4xia h GLU 333 CO -0.08 0.58 0.56 0.00 -0.73 0.00 0.00 179.01 179.34 4xia h ALA 334 N 0.80 1.43 -0.67 2.92 0.00 -0.53 -1.65 119.26 121.56 4xia h ALA 334 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 4xia h ALA 334 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 4xia h ALA 334 CO 0.01 0.51 0.37 0.52 0.00 0.00 0.00 179.25 180.66 4xia h MET 335 N 1.10 0.94 0.18 0.00 2.86 -1.24 -2.21 114.93 116.55 4xia h MET 335 Ca 0.32 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 4xia h MET 335 Cb -0.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.41 4xia h MET 335 CO -0.08 0.70 -0.08 -0.22 1.06 0.00 0.00 176.91 178.29 4xia h LYS 336 N 0.92 -0.23 -0.50 1.72 3.64 -1.23 0.21 116.57 121.10 4xia h LYS 336 Ca 0.24 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 4xia h LYS 336 Cb 0.04 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 4xia h LYS 336 CO -0.04 0.15 -0.10 1.15 -2.27 0.00 0.00 179.45 178.34 4xia h THR 337 N -0.67 0.51 0.00 1.00 2.02 -1.26 -1.35 112.91 113.16 4xia h THR 337 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.15 4xia h THR 337 Cb 0.48 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 4xia h THR 337 CO 0.04 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.73 4xia n SER 338 N -5.34 0.00 0.00 4.18 7.64 -0.84 -4.90 113.62 114.36 4xia n SER 338 Ca 0.05 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.25 4xia n SER 338 Cb 0.27 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 4xia n SER 338 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4xia n GLY 339 N 0.24 0.57 0.29 0.23 0.00 -0.51 -4.96 105.19 101.05 4xia n GLY 339 Ca 0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 4xia n GLY 339 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 4xia h VAL 340 N 0.00 1.15 0.02 1.61 2.07 -0.80 -1.24 116.25 119.06 4xia h VAL 340 Ca 0.00 -0.33 -0.21 0.00 0.82 0.00 0.00 66.70 66.98 4xia h VAL 340 Cb 0.00 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 4xia h VAL 340 CO 0.00 0.18 -0.94 -0.26 0.02 0.00 0.00 177.57 176.57 4xia h PHE 341 N 0.97 0.21 -0.34 1.57 -1.00 -1.87 -3.23 116.94 113.25 4xia h PHE 341 Ca 0.29 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.96 4xia h PHE 341 Cb -0.06 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 4xia h PHE 341 CO -0.03 0.99 0.23 1.49 -1.61 0.00 0.00 178.31 179.38 4xia h GLU 342 N 0.06 0.38 -0.05 1.51 4.81 -1.77 -1.18 114.58 118.35 4xia h GLU 342 Ca -0.04 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 4xia h GLU 342 Cb 1.61 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.90 4xia h GLU 342 CO 0.14 0.25 0.04 1.25 -0.73 0.00 0.00 179.01 179.97 4xia h LEU 343 N 0.40 0.00 -1.03 1.64 5.85 -1.25 -2.61 115.31 118.31 4xia h LEU 343 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 4xia h LEU 343 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 4xia h LEU 343 CO -0.03 0.00 -0.02 1.23 -0.34 0.00 0.00 178.44 179.28 4xia h GLY 344 N 0.00 0.00 -4.34 3.75 0.00 -1.39 -3.45 103.07 97.65 4xia h GLY 344 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.82 4xia h GLY 344 CO -0.00 0.00 0.43 -0.54 0.00 0.00 0.00 176.54 176.43 4xia s GLU 345 N -3.54 4.55 0.61 4.80 2.02 -0.99 -5.02 118.70 121.15 4xia s GLU 345 Ca 0.03 1.55 -0.19 0.00 0.02 0.00 0.00 54.97 56.38 4xia s GLU 345 Cb 0.08 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 4xia s GLU 345 CO 0.59 -0.04 1.12 0.25 0.02 0.00 0.00 175.26 177.20 4xia n THR 346 N 3.55 4.17 -0.04 3.63 -2.24 -1.26 -4.93 114.28 117.16 4xia n THR 346 Ca 0.06 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 4xia n THR 346 Cb 0.49 -1.33 -0.08 0.00 -2.10 0.00 0.00 70.33 67.31 4xia n THR 346 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 4xia h THR 347 N 0.60 1.37 -3.99 4.28 2.02 -1.95 -3.44 112.91 111.81 4xia h THR 347 Ca -0.50 -1.30 -0.49 0.00 0.77 0.00 0.00 66.41 64.89 4xia h THR 347 Cb 1.35 2.03 0.03 0.00 -1.74 0.00 0.00 68.15 69.82 4xia h THR 347 CO 0.52 0.37 0.27 -0.76 0.37 0.00 0.00 175.52 176.29 4xia s LEU 348 N -9.10 3.54 0.60 2.58 1.43 -1.26 -5.09 118.68 111.38 4xia s LEU 348 Ca -0.15 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 4xia s LEU 348 Cb 0.04 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 4xia s LEU 348 CO 0.73 -0.64 1.01 0.20 0.23 0.00 0.00 176.35 177.88 4xia s ASN 349 N -3.69 6.24 0.16 2.29 0.01 -1.26 -4.97 114.94 113.71 4xia s ASN 349 Ca 0.53 1.37 -0.34 0.00 -0.71 0.00 0.00 52.86 53.72 4xia s ASN 349 Cb -0.10 -2.45 -0.14 0.00 0.41 0.00 0.00 41.25 38.97 4xia s ASN 349 CO 0.42 -0.84 1.54 0.00 -1.51 0.00 0.00 177.10 176.72 4xia n ALA 350 N -2.68 1.13 -3.77 0.60 0.00 -1.26 -1.92 120.51 112.61 4xia n ALA 350 Ca 0.05 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.65 4xia n ALA 350 Cb 0.54 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.69 4xia n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4xia n GLY 351 N 3.25 -1.11 3.05 0.00 0.00 -1.26 -4.97 105.19 104.14 4xia n GLY 351 Ca 0.17 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 4xia n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4xia s GLU 352 N -5.63 2.21 0.52 1.61 2.12 -0.81 -5.14 118.70 113.58 4xia s GLU 352 Ca 0.23 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 55.07 4xia s GLU 352 Cb -0.11 -1.90 0.09 0.00 0.26 0.00 0.00 34.13 32.47 4xia s GLU 352 CO 0.90 -0.09 0.72 -1.13 -0.54 0.00 0.00 175.26 175.12 4xia n SER 353 N 4.29 1.62 0.12 -1.70 3.41 -1.26 -4.78 113.62 115.33 4xia n SER 353 Ca -0.19 -2.22 -0.13 0.00 -0.26 0.00 0.00 58.87 56.08 4xia n SER 353 Cb 0.51 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 4xia n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4xia h ALA 354 N -0.02 -0.32 -0.20 7.33 0.00 -2.01 -1.62 119.26 122.42 4xia h ALA 354 Ca -0.24 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.66 4xia h ALA 354 Cb 1.05 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 4xia h ALA 354 CO 0.32 -0.70 -0.02 0.00 0.00 0.00 0.00 179.25 178.85 4xia h ALA 355 N 0.45 0.16 -0.77 0.00 0.00 -2.00 -0.54 119.26 116.56 4xia h ALA 355 Ca 0.01 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.13 4xia h ALA 355 Cb 0.34 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 4xia h ALA 355 CO -0.05 -0.45 0.32 -0.44 0.00 0.00 0.00 179.25 178.63 4xia h ASP 356 N 0.04 0.32 -0.20 0.00 3.45 -1.88 -2.82 116.42 115.33 4xia h ASP 356 Ca 0.10 0.11 -0.05 0.00 0.43 0.00 0.00 57.03 57.62 4xia h ASP 356 Cb 0.13 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 4xia h ASP 356 CO -0.18 0.12 -0.05 0.25 -1.57 0.00 0.00 179.24 177.80 4xia h LEU 357 N 0.47 0.39 -1.33 1.55 5.85 -0.32 -2.20 115.31 119.73 4xia h LEU 357 Ca 0.43 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.85 4xia h LEU 357 Cb 0.65 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 4xia h LEU 357 CO -0.40 0.68 0.51 0.24 -0.34 0.00 0.00 178.44 179.12 4xia h MET 358 N 0.11 0.77 0.00 1.25 2.86 -0.88 -1.23 114.93 117.81 4xia h MET 358 Ca 0.05 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 4xia h MET 358 Cb 0.51 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 4xia h MET 358 CO 0.02 0.51 -0.49 -0.97 1.06 0.00 0.00 176.91 177.04 4xia h ASN 359 N 0.79 0.00 -3.20 1.22 -1.24 -1.62 -3.44 115.58 108.08 4xia h ASN 359 Ca 0.34 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.78 4xia h ASN 359 Cb 0.31 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.31 4xia h ASN 359 CO -0.12 0.49 1.00 -0.62 -1.29 0.00 0.00 177.43 176.90 4xia s ASP 360 N -6.72 6.56 0.38 1.15 3.68 -0.46 -4.90 116.67 116.35 4xia s ASP 360 Ca -0.01 1.06 0.04 0.00 2.13 0.00 0.00 52.55 55.78 4xia s ASP 360 Cb 0.12 -2.54 0.74 0.00 -1.45 0.00 0.00 42.92 39.79 4xia s ASP 360 CO 0.73 -1.20 2.03 -1.28 0.13 0.00 0.00 175.17 175.58 4xia h SER 361 N 9.77 0.61 -0.52 -0.34 0.87 -1.86 -2.43 113.55 119.66 4xia h SER 361 Ca -0.27 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 4xia h SER 361 Cb 1.10 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 4xia h SER 361 CO 1.05 0.44 0.09 0.00 -0.53 0.00 0.00 176.83 177.88 4xia h ALA 362 N 1.67 1.08 0.00 6.23 0.00 -1.90 1.20 119.26 127.53 4xia h ALA 362 Ca 0.20 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 4xia h ALA 362 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 4xia h ALA 362 CO -0.04 0.60 -0.40 0.77 0.00 0.00 0.00 179.25 180.17 4xia h SER 363 N 0.87 0.00 0.00 0.00 0.02 -1.76 -3.28 113.55 109.40 4xia h SER 363 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 4xia h SER 363 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 4xia h SER 363 CO 0.01 0.40 0.00 0.33 -1.14 0.00 0.00 176.83 176.43 4xia n PHE 364 N -3.38 0.00 -0.28 3.45 7.35 -1.22 -4.76 117.46 118.62 4xia n PHE 364 Ca 0.01 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.80 4xia n PHE 364 Cb 0.59 0.00 0.25 0.00 0.35 0.00 0.00 39.48 40.67 4xia n PHE 364 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 4xia h ALA 365 N 0.56 1.21 -0.53 3.13 0.00 -1.80 0.57 119.26 122.40 4xia h ALA 365 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 4xia h ALA 365 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 4xia h ALA 365 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.31 4xia n GLY 366 N -1.35 3.16 3.71 0.00 0.00 0.41 -4.96 105.19 106.17 4xia n GLY 366 Ca 0.19 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 4xia n GLY 366 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 4xia s PHE 367 N -2.66 3.67 -1.09 1.61 2.19 0.19 -4.80 117.98 117.08 4xia s PHE 367 Ca 0.52 1.68 -0.15 0.00 0.33 0.00 0.00 56.93 59.31 4xia s PHE 367 Cb 0.39 -3.14 0.16 0.00 -1.31 0.00 0.00 43.02 39.13 4xia s PHE 367 CO 0.16 -0.08 1.29 0.34 1.83 0.00 0.00 175.22 178.76 4xia s ASP 368 N 0.80 6.91 0.25 6.13 3.68 -1.26 -4.86 116.67 128.32 4xia s ASP 368 Ca 0.52 -2.65 -0.03 0.00 2.13 0.00 0.00 52.55 52.51 4xia s ASP 368 Cb -0.22 -2.39 0.40 0.00 -1.45 0.00 0.00 42.92 39.26 4xia s ASP 368 CO 0.29 -0.85 1.85 0.00 0.13 0.00 0.00 175.17 176.59 4xia h ALA 369 N 7.78 1.28 -0.39 3.66 0.00 -1.95 0.58 119.26 130.22 4xia h ALA 369 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 4xia h ALA 369 Cb 0.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 4xia h ALA 369 CO 1.17 0.27 -0.36 0.93 0.00 0.00 0.00 179.25 181.26 4xia h GLU 370 N 0.98 0.91 -0.42 0.00 4.39 -1.99 -2.24 114.58 116.21 4xia h GLU 370 Ca 0.41 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 4xia h GLU 370 Cb 0.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 4xia h GLU 370 CO -0.21 1.11 -0.09 0.00 -1.16 0.00 0.00 179.01 178.67 4xia h ALA 371 N 0.83 0.58 -0.93 3.43 0.00 -1.72 -3.12 119.26 118.34 4xia h ALA 371 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 4xia h ALA 371 Cb 0.94 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 4xia h ALA 371 CO 0.09 0.45 0.56 0.00 0.00 0.00 0.00 179.25 180.35 4xia h ALA 372 N 0.86 1.23 0.00 0.00 0.00 -0.83 -2.80 119.26 117.72 4xia h ALA 372 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 4xia h ALA 372 Cb 0.62 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.03 4xia h ALA 372 CO 0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.94 4xia n ALA 373 N -2.40 1.30 0.22 0.00 0.00 -0.85 -2.08 120.51 116.70 4xia n ALA 373 Ca 0.10 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.77 4xia n ALA 373 Cb 0.06 -1.27 0.25 0.00 0.00 0.00 0.00 19.45 18.49 4xia n ALA 373 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 4xia h GLU 374 N 0.00 0.00 -6.39 0.00 5.08 -1.53 -3.47 114.58 108.28 4xia h GLU 374 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 4xia h GLU 374 Cb 0.14 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.44 4xia h GLU 374 CO 0.00 0.03 0.66 -2.13 -1.00 0.00 0.00 179.01 176.57 4xia n ARG 375 N -3.11 1.69 -2.76 2.33 0.63 -0.88 -4.92 116.66 109.65 4xia n ARG 375 Ca 0.03 0.61 -0.43 0.00 -0.92 0.00 0.00 57.85 57.15 4xia n ARG 375 Cb 0.50 -2.33 -0.04 0.00 0.45 0.00 0.00 32.46 31.05 4xia n ARG 375 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 4xia s ASN 376 N 0.89 6.41 0.49 6.15 2.47 -1.26 -4.91 114.94 125.18 4xia s ASN 376 Ca 0.82 -0.12 0.28 0.00 0.42 0.00 0.00 52.86 54.26 4xia s ASN 376 Cb -0.81 -2.47 1.10 0.00 -1.45 0.00 0.00 41.25 37.62 4xia s ASN 376 CO 0.43 -1.27 1.89 -0.26 -3.72 0.00 0.00 177.10 174.17 4xia h PHE 377 N 9.34 0.00 -6.28 0.43 -1.00 -1.91 -3.46 116.94 114.06 4xia h PHE 377 Ca -0.25 0.00 -0.46 0.00 2.81 0.00 0.00 57.97 60.07 4xia h PHE 377 Cb 1.07 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 4xia h PHE 377 CO 0.94 0.12 -0.84 0.00 -1.61 0.00 0.00 178.31 176.92 4xia n ALA 378 N -2.17 -1.88 0.03 2.45 0.00 -1.26 -3.91 120.51 113.77 4xia n ALA 378 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 4xia n ALA 378 Cb 0.38 -2.19 0.10 0.00 0.00 0.00 0.00 19.45 17.73 4xia n ALA 378 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 4xia h PHE 379 N -1.87 0.56 -0.11 0.00 0.05 -1.95 -2.63 116.94 110.99 4xia h PHE 379 Ca -0.61 -0.19 -0.00 0.00 3.82 0.00 0.00 57.97 60.98 4xia h PHE 379 Cb 1.37 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 39.20 4xia h PHE 379 CO 0.49 0.88 0.05 0.82 -0.18 0.00 0.00 178.31 180.38 4xia h ILE 380 N 0.35 1.12 -0.34 -0.55 2.04 -1.98 -0.42 117.51 117.73 4xia h ILE 380 Ca 0.01 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.53 4xia h ILE 380 Cb 1.04 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 4xia h ILE 380 CO 0.09 0.11 0.21 -0.09 0.00 0.00 0.00 178.15 178.47 4xia h ARG 381 N 0.06 0.41 -0.78 2.37 2.43 -1.96 0.23 114.38 117.13 4xia h ARG 381 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 4xia h ARG 381 Cb 0.13 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 4xia h ARG 381 CO -0.00 0.27 0.50 1.25 -1.51 0.00 0.00 179.97 180.48 4xia h LEU 382 N 0.42 0.91 -0.50 3.80 5.85 -1.31 -0.76 115.31 123.72 4xia h LEU 382 Ca 0.13 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 4xia h LEU 382 Cb -0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 4xia h LEU 382 CO -0.05 0.67 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.49 4xia h ASN 383 N 1.06 0.95 -0.27 1.25 -1.24 -0.26 -1.99 115.58 115.09 4xia h ASN 383 Ca 0.28 -0.35 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 4xia h ASN 383 Cb -0.10 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.68 4xia h ASN 383 CO -0.06 1.08 0.13 -0.61 -1.29 0.00 0.00 177.43 176.68 4xia h GLN 384 N 0.80 0.38 -0.47 6.67 5.75 0.39 -2.02 115.11 126.62 4xia h GLN 384 Ca 0.13 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 4xia h GLN 384 Cb 0.65 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 4xia h GLN 384 CO 0.04 0.38 0.28 -0.07 -2.65 0.00 0.00 178.83 176.81 4xia h LEU 385 N 0.30 0.44 -0.25 -2.39 3.38 -1.09 -1.30 115.31 114.39 4xia h LEU 385 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 4xia h LEU 385 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 4xia h LEU 385 CO -0.01 0.31 0.16 0.00 0.09 0.00 0.00 178.44 179.00 4xia h ALA 386 N 1.21 0.32 -0.72 1.53 0.00 -1.06 -2.67 119.26 117.87 4xia h ALA 386 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 4xia h ALA 386 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 4xia h ALA 386 CO -0.09 -0.20 0.33 0.82 0.00 0.00 0.00 179.25 180.11 4xia h ILE 387 N 0.34 1.24 -0.59 0.00 1.08 -1.06 -1.04 117.51 117.47 4xia h ILE 387 Ca 0.09 -0.69 -0.02 0.00 -0.39 0.00 0.00 64.86 63.85 4xia h ILE 387 Cb -0.03 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 4xia h ILE 387 CO -0.02 0.29 0.27 -0.33 -0.69 0.00 0.00 178.15 177.67 4xia h GLU 388 N 1.01 0.83 -0.20 2.37 5.08 -1.13 -0.53 114.58 122.02 4xia h GLU 388 Ca 0.25 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 4xia h GLU 388 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 4xia h GLU 388 CO -0.03 0.66 -0.07 0.45 -1.00 0.00 0.00 179.01 179.01 4xia h HIS 389 N 0.83 0.46 -0.76 4.33 3.86 -1.12 -1.61 115.15 121.14 4xia h HIS 389 Ca 0.20 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 4xia h HIS 389 Cb 0.11 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 4xia h HIS 389 CO 0.01 0.68 0.50 1.25 0.86 0.00 0.00 177.93 181.23 4xia h LEU 390 N 0.11 0.83 -0.02 2.43 5.85 -0.42 -2.47 115.31 121.63 4xia h LEU 390 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 4xia h LEU 390 Cb 0.54 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.37 4xia h LEU 390 CO 0.02 0.59 -0.00 0.18 -0.34 0.00 0.00 178.44 178.89 4xia n LEU 391 N -4.44 0.03 -3.04 2.25 4.77 -0.28 -4.93 117.00 111.37 4xia n LEU 391 Ca 0.09 0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 56.02 4xia n LEU 391 Cb 0.08 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 4xia n LEU 391 CO 0.35 0.01 0.19 0.61 -1.33 0.00 0.00 177.39 177.22 4xia n GLY 392 N 1.16 -0.27 0.12 -0.72 0.00 -0.93 -4.91 105.19 99.64 4xia n GLY 392 Ca 0.19 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.35 4xia n GLY 392 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4xia n SER 393 N -2.26 0.98 0.00 1.61 3.41 -0.63 -5.04 113.62 111.70 4xia n SER 393 Ca -0.02 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 4xia n SER 393 Cb 0.56 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 4xia n SER 393 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42