#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xin s GLN 4 N 0.00 1.53 0.19 5.55 -2.07 -1.26 -5.04 119.66 118.57 1xin s GLN 4 Ca 0.00 -0.62 -0.26 0.00 -1.82 0.00 0.00 55.36 52.66 1xin s GLN 4 Cb 0.00 -1.43 -0.08 0.00 -1.09 0.00 0.00 33.01 30.41 1xin s GLN 4 CO 0.00 0.33 0.82 0.00 -1.32 0.00 0.00 175.29 175.12 1xin s ALA 5 N -0.27 3.41 0.26 2.60 0.00 -1.26 -5.07 121.76 121.43 1xin s ALA 5 Ca 0.03 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.49 1xin s ALA 5 Cb -0.08 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1xin s ALA 5 CO 0.00 0.27 -0.13 0.95 0.00 0.00 0.00 175.76 176.85 1xin s THR 6 N -1.21 1.96 0.60 0.00 -4.23 -1.26 -4.92 115.64 106.58 1xin s THR 6 Ca 0.38 -2.24 0.33 0.00 -1.18 0.00 0.00 61.69 58.98 1xin s THR 6 Cb -0.23 -2.27 0.37 0.00 1.34 0.00 0.00 72.50 71.71 1xin s THR 6 CO 0.27 -0.43 2.28 0.03 -0.54 0.00 0.00 174.62 176.22 1xin h ARG 7 N 2.36 0.00 0.00 3.99 3.08 -1.94 -0.85 114.38 121.02 1xin h ARG 7 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1xin h ARG 7 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1xin h ARG 7 CO 0.64 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.93 1xin n GLU 8 N -3.70 0.07 0.10 0.04 1.02 -1.26 -2.08 120.64 114.82 1xin n GLU 8 Ca -0.03 0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1xin n GLU 8 Cb 0.08 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 1xin n GLU 8 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1xin h ASP 9 N 0.00 0.00 -5.93 1.62 3.32 -1.55 -3.48 116.42 110.40 1xin h ASP 9 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 1xin h ASP 9 Cb 0.32 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.96 1xin h ASP 9 CO 0.00 0.73 -0.80 0.29 -1.72 0.00 0.00 179.24 177.74 1xin n LYS 10 N -3.26 -5.68 -2.88 3.56 5.02 -0.89 -4.61 118.16 109.43 1xin n LYS 10 Ca 0.00 0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 56.59 1xin n LYS 10 Cb 0.84 -5.47 -0.04 0.00 -0.02 0.00 0.00 35.03 30.34 1xin n LYS 10 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1xin s PHE 11 N -3.53 3.56 0.16 2.13 0.08 -1.26 -0.50 117.98 118.62 1xin s PHE 11 Ca 0.05 1.41 0.06 0.00 0.12 0.00 0.00 56.93 58.57 1xin s PHE 11 Cb -0.02 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.40 1xin s PHE 11 CO 0.78 -0.05 -0.12 -1.54 -0.10 0.00 0.00 175.22 174.19 1xin s SER 12 N 0.97 2.10 0.02 1.36 1.04 -0.56 -1.24 113.70 117.40 1xin s SER 12 Ca 0.43 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1xin s SER 12 Cb -0.18 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1xin s SER 12 CO 0.20 -0.25 -0.06 -0.36 0.98 0.00 0.00 173.24 173.75 1xin s PHE 13 N -3.05 0.50 0.33 5.02 0.40 -1.15 -1.27 117.98 118.75 1xin s PHE 13 Ca 0.18 -0.33 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 1xin s PHE 13 Cb 0.00 -0.31 -0.09 0.00 0.51 0.00 0.00 43.02 43.13 1xin s PHE 13 CO 0.03 -0.07 0.82 0.20 0.70 0.00 0.00 175.22 176.91 1xin s GLY 14 N -0.96 2.47 0.45 4.36 0.00 -1.23 -2.05 107.32 110.37 1xin s GLY 14 Ca -0.06 0.23 0.13 0.00 0.00 0.00 0.00 44.72 45.02 1xin s GLY 14 CO -0.00 0.52 2.02 -2.00 0.00 0.00 0.00 173.10 173.64 1xin h LEU 15 N 2.52 0.07 0.00 0.66 5.85 -1.27 -1.50 115.31 121.65 1xin h LEU 15 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1xin h LEU 15 Cb 1.18 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1xin h LEU 15 CO 0.64 0.19 0.00 -2.67 -0.34 0.00 0.00 178.44 176.26 1xin n TRP 16 N -4.37 0.00 0.00 1.25 2.14 -1.26 -2.33 117.44 112.86 1xin n TRP 16 Ca -0.02 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.55 1xin n TRP 16 Cb 0.20 -0.39 0.00 0.00 -0.81 0.00 0.00 31.31 30.31 1xin n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xin n THR 17 N -1.39 0.00 0.33 -1.67 -2.24 -0.56 -2.81 114.28 105.94 1xin n THR 17 Ca 0.08 0.26 0.21 0.00 -2.27 0.00 0.00 64.05 62.33 1xin n THR 17 Cb 0.22 -0.80 1.14 0.00 -2.10 0.00 0.00 70.33 68.79 1xin n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xin h VAL 18 N 0.00 0.14 -0.01 2.28 -1.51 -1.72 -1.58 116.25 113.85 1xin h VAL 18 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1xin h VAL 18 Cb 0.00 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 1xin h VAL 18 CO 0.00 0.00 -0.23 0.61 -1.23 0.00 0.00 177.57 176.72 1xin n GLY 19 N -1.15 -0.79 3.65 5.19 0.00 -0.98 -4.89 105.19 106.22 1xin n GLY 19 Ca -0.03 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1xin n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xin s TRP 20 N -2.55 1.35 -1.75 1.61 -0.00 -0.59 -4.55 118.94 112.45 1xin s TRP 20 Ca 0.24 -0.24 0.27 0.00 -0.00 0.00 0.00 56.10 56.37 1xin s TRP 20 Cb 0.19 -4.17 1.53 0.00 -0.00 0.00 0.00 33.47 31.03 1xin s TRP 20 CO 0.52 -5.15 1.97 1.04 -0.00 0.00 0.00 176.95 175.34 1xin n GLN 21 N 7.67 0.66 -3.10 5.86 6.02 -1.26 -4.90 117.38 128.33 1xin n GLN 21 Ca 0.21 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 57.08 1xin n GLN 21 Cb 0.42 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.22 1xin n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xin n ALA 22 N -1.12 -0.73 -2.84 -1.58 0.00 -1.26 -1.00 120.51 111.97 1xin n ALA 22 Ca 0.17 0.22 -0.44 0.00 0.00 0.00 0.00 53.44 53.39 1xin n ALA 22 Cb 0.15 -3.23 -0.06 0.00 0.00 0.00 0.00 19.45 16.30 1xin n ALA 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xin s ARG 23 N -5.70 3.10 0.02 0.00 3.52 -1.26 -3.88 118.95 114.74 1xin s ARG 23 Ca 0.32 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1xin s ARG 23 Cb -0.14 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 1xin s ARG 23 CO 0.40 -1.27 0.03 -0.40 -0.81 0.00 0.00 175.30 173.24 1xin n ASP 24 N 6.15 0.21 0.27 -2.12 5.68 -0.96 -4.92 116.55 120.86 1xin n ASP 24 Ca -0.07 -1.05 0.18 0.00 -0.50 0.00 0.00 54.79 53.34 1xin n ASP 24 Cb 0.45 -0.01 0.84 0.00 -1.14 0.00 0.00 41.12 41.25 1xin n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xin h ALA 25 N 0.52 1.00 -0.05 2.12 0.00 -2.00 -3.14 119.26 117.71 1xin h ALA 25 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xin h ALA 25 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xin h ALA 25 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 1xin n PHE 26 N -2.91 0.07 -3.77 0.00 3.01 -1.26 -5.08 117.46 107.52 1xin n PHE 26 Ca -0.01 -0.29 -0.08 0.00 1.01 0.00 0.00 57.45 58.09 1xin n PHE 26 Cb 0.19 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.62 1xin n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1xin s GLY 27 N -0.68 -0.19 0.78 1.37 0.00 -1.19 -5.18 107.32 102.24 1xin s GLY 27 Ca 0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.50 1xin s GLY 27 CO 0.04 -0.05 1.10 0.99 0.00 0.00 0.00 173.10 175.18 1xin s ASP 28 N -2.89 4.70 0.47 1.64 1.01 -1.26 -2.26 116.67 118.09 1xin s ASP 28 Ca 0.09 1.22 -0.25 0.00 0.71 0.00 0.00 52.55 54.33 1xin s ASP 28 Cb -0.05 -1.96 -0.08 0.00 1.01 0.00 0.00 42.92 41.85 1xin s ASP 28 CO 0.03 -1.83 1.40 0.00 0.21 0.00 0.00 175.17 174.98 1xin s ALA 29 N -3.23 3.15 -0.85 5.23 0.00 -1.26 -4.31 121.76 120.49 1xin s ALA 29 Ca 0.60 1.41 0.11 0.00 0.00 0.00 0.00 51.96 54.08 1xin s ALA 29 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1xin s ALA 29 CO 0.53 -1.19 0.60 0.25 0.00 0.00 0.00 175.76 175.95 1xin n THR 30 N -0.34 0.00 -4.20 0.00 -2.24 -0.17 -4.89 114.28 102.44 1xin n THR 30 Ca 0.06 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 1xin n THR 30 Cb 0.43 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 1xin n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xin s ARG 31 N -1.62 0.90 0.65 -0.78 0.52 -0.90 -4.98 118.95 112.75 1xin s ARG 31 Ca 0.08 -1.10 -0.09 0.00 -0.52 0.00 0.00 55.73 54.09 1xin s ARG 31 Cb 0.09 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.76 1xin s ARG 31 CO 0.33 0.16 1.01 0.95 0.02 0.00 0.00 175.30 177.77 1xin s THR 32 N -1.81 3.68 0.36 0.02 -4.23 -1.26 -4.73 115.64 107.67 1xin s THR 32 Ca 0.03 0.34 -0.28 0.00 -1.18 0.00 0.00 61.69 60.60 1xin s THR 32 Cb -0.07 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.16 1xin s THR 32 CO 0.02 -0.62 1.34 0.00 -0.54 0.00 0.00 174.62 174.82 1xin s ALA 33 N -3.20 3.45 -0.12 3.99 0.00 -1.26 -4.82 121.76 119.79 1xin s ALA 33 Ca 0.56 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.72 1xin s ALA 33 Cb -0.11 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1xin s ALA 33 CO 0.49 -0.76 0.24 -1.17 0.00 0.00 0.00 175.76 174.56 1xin s LEU 34 N -2.02 4.33 -0.02 0.00 2.96 -1.26 -5.06 118.68 117.61 1xin s LEU 34 Ca 0.52 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 1xin s LEU 34 Cb -0.40 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1xin s LEU 34 CO 0.54 0.26 0.95 -0.62 -1.32 0.00 0.00 176.35 176.15 1xin s ASP 35 N -0.35 7.31 0.25 3.68 2.15 -1.26 -4.94 116.67 123.51 1xin s ASP 35 Ca 0.16 1.59 -0.03 0.00 0.43 0.00 0.00 52.55 54.70 1xin s ASP 35 Cb -0.13 -2.55 0.49 0.00 -0.30 0.00 0.00 42.92 40.43 1xin s ASP 35 CO 0.05 -0.26 1.73 -0.65 -0.17 0.00 0.00 175.17 175.88 1xin h PRO 36 N 6.82 0.47 -0.58 4.34 0.11 -1.96 0.60 132.00 141.80 1xin h PRO 36 Ca -0.40 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1xin h PRO 36 Cb 1.21 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1xin h PRO 36 CO 0.76 0.31 0.29 0.28 -0.21 0.00 0.00 178.00 179.43 1xin h VAL 37 N 0.48 1.20 -0.45 3.15 2.07 -1.93 -0.50 116.25 120.27 1xin h VAL 37 Ca 0.43 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1xin h VAL 37 Cb 0.66 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1xin h VAL 37 CO -0.40 0.23 0.08 -0.08 0.02 0.00 0.00 177.57 177.42 1xin h GLU 38 N 0.79 0.74 -0.42 1.57 4.81 -1.61 -2.16 114.58 118.30 1xin h GLU 38 Ca 0.20 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1xin h GLU 38 Cb 0.10 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1xin h GLU 38 CO -0.03 0.76 0.06 0.00 -0.73 0.00 0.00 179.01 179.08 1xin h ALA 39 N 0.95 0.45 -0.60 2.92 0.00 -0.59 0.56 119.26 122.95 1xin h ALA 39 Ca 0.14 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1xin h ALA 39 Cb 0.37 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1xin h ALA 39 CO 0.01 -0.34 0.27 0.28 0.00 0.00 0.00 179.25 179.47 1xin h VAL 40 N 0.19 0.85 -0.32 0.00 2.07 -0.75 -0.31 116.25 117.97 1xin h VAL 40 Ca 0.21 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1xin h VAL 40 Cb 0.27 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1xin h VAL 40 CO -0.29 0.09 -0.17 0.45 0.02 0.00 0.00 177.57 177.67 1xin h HIS 41 N 0.49 0.79 -0.66 1.57 -0.00 -0.68 -2.23 115.15 114.43 1xin h HIS 41 Ca 0.29 -0.20 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 1xin h HIS 41 Cb 0.29 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 1xin h HIS 41 CO -0.13 0.90 0.26 0.87 -0.00 0.00 0.00 177.93 179.83 1xin h LYS 42 N 0.45 0.98 -0.39 2.45 1.79 -0.60 -2.17 116.57 119.08 1xin h LYS 42 Ca 0.07 -0.18 -0.15 0.00 -2.18 0.00 0.00 60.65 58.21 1xin h LYS 42 Cb 0.70 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1xin h LYS 42 CO 0.05 0.82 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.83 1xin h LEU 43 N 0.92 0.93 -0.73 2.94 3.38 -1.09 -1.20 115.31 120.47 1xin h LEU 43 Ca 0.22 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1xin h LEU 43 Cb 0.21 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1xin h LEU 43 CO -0.02 1.18 0.45 0.00 0.09 0.00 0.00 178.44 180.14 1xin h ALA 44 N 0.87 0.97 -0.62 1.53 0.00 -1.28 -1.92 119.26 118.81 1xin h ALA 44 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xin h ALA 44 Cb 0.91 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1xin h ALA 44 CO 0.08 0.20 0.20 1.49 0.00 0.00 0.00 179.25 181.22 1xin h GLU 45 N 0.85 0.97 -0.00 0.00 4.81 -1.09 -2.85 114.58 117.28 1xin h GLU 45 Ca 0.30 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1xin h GLU 45 Cb 0.08 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1xin h GLU 45 CO -0.13 0.85 0.00 0.44 -0.73 0.00 0.00 179.01 179.44 1xin n ILE 46 N -4.38 0.00 0.00 2.32 -5.35 -0.48 -4.90 119.36 106.57 1xin n ILE 46 Ca 0.04 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1xin n ILE 46 Cb 0.21 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 1xin n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xin n GLY 47 N 0.99 0.95 3.77 3.28 0.00 -1.07 -4.91 105.19 108.19 1xin n GLY 47 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1xin n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xin s ALA 48 N -2.00 2.81 -0.36 4.61 0.00 -0.77 -4.58 121.76 121.46 1xin s ALA 48 Ca 0.00 0.85 0.20 0.00 0.00 0.00 0.00 51.96 53.01 1xin s ALA 48 Cb 0.00 -3.36 -0.28 0.00 0.00 0.00 0.00 23.12 19.48 1xin s ALA 48 CO 0.00 -0.69 0.59 2.48 0.00 0.00 0.00 175.76 178.13 1xin n TYR 49 N -0.98 0.00 -3.70 0.00 4.11 -0.37 -4.56 117.16 111.66 1xin n TYR 49 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.90 1xin n TYR 49 Cb 0.50 -0.29 -0.03 0.00 -0.00 0.00 0.00 39.34 39.52 1xin n TYR 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1xin s GLY 50 N -3.78 -0.18 0.05 -7.48 0.00 -1.22 -2.22 107.32 92.49 1xin s GLY 50 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.62 1xin s GLY 50 CO 0.83 -0.17 -0.11 -1.50 0.00 0.00 0.00 173.10 172.15 1xin s ILE 51 N -3.86 0.84 0.25 0.90 2.07 -0.13 -2.95 121.20 118.33 1xin s ILE 51 Ca 0.08 -1.07 0.06 0.00 -1.41 0.00 0.00 60.65 58.32 1xin s ILE 51 Cb -0.02 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 1xin s ILE 51 CO -0.03 -0.21 -0.07 0.42 -1.91 0.00 0.00 174.94 173.14 1xin s THR 52 N -1.13 1.56 0.12 4.00 -4.23 -0.87 -3.97 115.64 111.12 1xin s THR 52 Ca -0.04 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.10 1xin s THR 52 Cb -0.09 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.51 1xin s THR 52 CO 0.01 -0.39 0.71 0.72 -0.54 0.00 0.00 174.62 175.13 1xin s PHE 53 N -3.08 -0.44 0.13 3.99 -0.71 -1.26 -0.63 117.98 115.99 1xin s PHE 53 Ca 0.27 0.22 -0.06 0.00 -1.04 0.00 0.00 56.93 56.33 1xin s PHE 53 Cb 0.03 0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 42.35 1xin s PHE 53 CO 0.10 -0.80 0.38 -1.01 -1.34 0.00 0.00 175.22 172.55 1xin s HIS 54 N -3.57 3.50 0.20 3.49 3.76 -1.26 -1.92 115.29 119.50 1xin s HIS 54 Ca 0.03 0.60 -0.17 0.00 -0.15 0.00 0.00 55.06 55.38 1xin s HIS 54 Cb -0.01 -2.04 0.20 0.00 1.11 0.00 0.00 32.58 31.84 1xin s HIS 54 CO -0.10 0.45 1.60 0.38 -0.85 0.00 0.00 174.74 176.22 1xin h ASP 55 N 3.03 -0.94 0.37 1.40 2.03 -1.76 0.00 116.42 120.55 1xin h ASP 55 Ca -0.47 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1xin h ASP 55 Cb 1.17 0.52 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 1xin h ASP 55 CO 0.71 -0.27 0.00 0.47 -1.03 0.00 0.00 179.24 179.12 1xin n ASP 56 N -5.45 0.00 0.07 4.15 8.00 -1.26 -1.57 116.55 120.49 1xin n ASP 56 Ca 0.07 0.23 -0.21 0.00 0.71 0.00 0.00 54.79 55.58 1xin n ASP 56 Cb 0.36 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.96 1xin n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xin h ASP 57 N 0.00 0.70 0.03 -2.24 3.32 -1.38 -3.38 116.42 113.47 1xin h ASP 57 Ca 0.00 -0.85 -0.15 0.00 0.02 0.00 0.00 57.03 56.05 1xin h ASP 57 Cb 0.18 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1xin h ASP 57 CO 0.00 1.49 -0.77 0.25 -1.72 0.00 0.00 179.24 178.49 1xin h LEU 58 N 0.02 0.09 -8.12 1.55 5.85 -1.49 -3.45 115.31 109.75 1xin h LEU 58 Ca -0.16 -0.78 -0.68 0.00 0.84 0.00 0.00 57.88 57.10 1xin h LEU 58 Cb 1.75 -0.03 -0.32 0.00 0.37 0.00 0.00 40.66 42.44 1xin h LEU 58 CO 0.20 1.31 -0.71 -0.69 -0.34 0.00 0.00 178.44 178.21 1xin s VAL 59 N -2.33 3.07 0.07 1.05 1.01 -0.61 -4.99 120.40 117.68 1xin s VAL 59 Ca -0.23 -1.17 -0.37 0.00 0.00 0.00 0.00 61.98 60.22 1xin s VAL 59 Cb 0.02 -2.66 -0.17 0.00 0.00 0.00 0.00 36.38 33.57 1xin s VAL 59 CO 0.67 0.03 1.33 -2.65 0.00 0.00 0.00 175.10 174.48 1xin n PRO 60 N 4.67 1.08 -1.54 2.72 -0.02 -1.26 -4.09 135.00 136.56 1xin n PRO 60 Ca -0.15 0.39 -0.56 0.00 -2.02 0.00 0.00 63.50 61.16 1xin n PRO 60 Cb 0.45 -2.03 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 1xin n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xin n PHE 61 N 2.52 0.98 -0.95 6.00 7.35 -1.26 -2.20 117.46 129.90 1xin n PHE 61 Ca 0.19 0.89 0.00 0.00 -0.76 0.00 0.00 57.45 57.76 1xin n PHE 61 Cb 0.18 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 37.83 1xin n PHE 61 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xin n GLY 62 N 1.91 0.43 3.79 7.13 0.00 -1.26 -5.06 105.19 112.13 1xin n GLY 62 Ca 0.19 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1xin n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xin s SER 63 N -2.83 7.08 1.01 1.61 0.01 -0.94 -5.04 113.70 114.60 1xin s SER 63 Ca 0.00 1.90 -0.14 0.00 1.31 0.00 0.00 55.95 59.02 1xin s SER 63 Cb 0.00 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.85 1xin s SER 63 CO 0.00 -0.26 1.12 1.51 0.41 0.00 0.00 173.24 176.03 1xin s ASP 64 N -1.66 2.59 0.36 2.44 1.47 -1.26 -4.72 116.67 115.89 1xin s ASP 64 Ca 0.54 0.94 0.10 0.00 1.18 0.00 0.00 52.55 55.32 1xin s ASP 64 Cb -0.19 -1.47 0.70 0.00 -0.34 0.00 0.00 42.92 41.63 1xin s ASP 64 CO 0.24 -3.13 1.84 0.00 0.68 0.00 0.00 175.17 174.80 1xin h ALA 65 N -1.89 1.38 0.08 2.11 0.00 -1.97 0.12 119.26 119.09 1xin h ALA 65 Ca -0.51 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 1xin h ALA 65 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xin h ALA 65 CO 0.54 0.44 -0.04 -0.56 0.00 0.00 0.00 179.25 179.63 1xin h GLN 66 N 0.11 -0.10 0.11 0.00 -0.00 -1.99 0.66 115.11 113.90 1xin h GLN 66 Ca 0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.67 1xin h GLN 66 Cb 0.58 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.09 1xin h GLN 66 CO 0.04 0.08 -0.05 1.15 -0.00 0.00 0.00 178.83 180.04 1xin h THR 67 N -0.26 1.00 -0.34 1.86 2.02 -1.86 -1.85 112.91 113.48 1xin h THR 67 Ca -0.01 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 66.82 1xin h THR 67 Cb 0.23 1.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 1xin h THR 67 CO 0.02 0.10 -0.22 -0.09 0.37 0.00 0.00 175.52 175.70 1xin h ARG 68 N -0.34 -0.17 -1.01 6.66 2.43 -0.70 -0.59 114.38 120.67 1xin h ARG 68 Ca -0.02 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1xin h ARG 68 Cb 0.28 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1xin h ARG 68 CO 0.03 -0.12 0.66 -0.44 -1.51 0.00 0.00 179.97 178.59 1xin h ASP 69 N -0.18 1.11 0.05 -3.80 3.32 0.46 -1.06 116.42 116.32 1xin h ASP 69 Ca 0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xin h ASP 69 Cb 0.45 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xin h ASP 69 CO -0.45 0.76 -0.03 1.23 -1.72 0.00 0.00 179.24 179.04 1xin h GLY 70 N 1.29 -0.07 0.71 2.75 0.00 -0.41 -1.59 103.07 105.74 1xin h GLY 70 Ca 0.40 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1xin h GLY 70 CO -0.12 -0.03 -0.06 -2.22 0.00 0.00 0.00 176.54 174.12 1xin h ILE 71 N -0.20 0.82 -0.66 2.60 2.04 -0.88 -2.31 117.51 118.92 1xin h ILE 71 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1xin h ILE 71 Cb 0.18 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1xin h ILE 71 CO 0.01 0.00 0.34 0.40 0.00 0.00 0.00 178.15 178.90 1xin h ILE 72 N -0.06 0.91 -0.43 -0.67 2.04 -1.11 -1.79 117.51 116.40 1xin h ILE 72 Ca 0.06 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1xin h ILE 72 Cb 0.15 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 1xin h ILE 72 CO -0.14 0.11 0.06 0.00 0.00 0.00 0.00 178.15 178.19 1xin h ALA 73 N 1.37 0.46 -0.42 1.87 0.00 -0.77 -0.44 119.26 121.34 1xin h ALA 73 Ca 0.31 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1xin h ALA 73 Cb 0.26 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xin h ALA 73 CO -0.22 -0.34 -0.06 0.78 0.00 0.00 0.00 179.25 179.41 1xin h GLY 74 N 0.19 0.84 1.00 0.00 0.00 -1.20 -2.03 103.07 101.87 1xin h GLY 74 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xin h GLY 74 CO -0.30 0.61 0.21 -2.75 0.00 0.00 0.00 176.54 174.31 1xin h PHE 75 N 0.60 0.40 -0.93 5.60 3.57 -1.08 -1.35 116.94 123.75 1xin h PHE 75 Ca 0.11 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1xin h PHE 75 Cb 0.58 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1xin h PHE 75 CO 0.05 0.25 0.60 0.87 -2.23 0.00 0.00 178.31 177.85 1xin h LYS 76 N 0.44 1.03 -0.17 1.11 1.57 -0.95 -1.72 116.57 117.87 1xin h LYS 76 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xin h LYS 76 Cb -0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1xin h LYS 76 CO -0.03 0.68 0.05 0.87 -0.57 0.00 0.00 179.45 180.45 1xin h LYS 77 N 1.06 0.26 -0.72 3.15 1.57 -0.60 -2.50 116.57 118.79 1xin h LYS 77 Ca 0.40 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.18 1xin h LYS 77 Cb 0.21 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 1xin h LYS 77 CO -0.16 0.39 0.42 0.00 -0.57 0.00 0.00 179.45 179.53 1xin h ALA 78 N 0.86 0.97 -0.55 3.86 0.00 -0.66 0.60 119.26 124.34 1xin h ALA 78 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xin h ALA 78 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xin h ALA 78 CO -0.00 0.12 0.17 -0.07 0.00 0.00 0.00 179.25 179.47 1xin h LEU 79 N 0.77 0.77 0.57 0.00 3.38 -1.23 -1.80 115.31 117.77 1xin h LEU 79 Ca 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xin h LEU 79 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xin h LEU 79 CO -0.17 0.73 -0.43 -0.78 0.09 0.00 0.00 178.44 177.87 1xin h ASP 80 N 0.81 -1.14 -0.61 -0.43 1.82 -0.83 0.31 116.42 116.36 1xin h ASP 80 Ca 0.18 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.86 1xin h ASP 80 Cb 0.24 0.36 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 1xin h ASP 80 CO -0.01 -0.63 0.21 -0.33 -1.61 0.00 0.00 179.24 176.87 1xin h GLU 81 N -0.98 0.97 0.00 0.28 5.08 -0.79 -3.25 114.58 115.89 1xin h GLU 81 Ca -0.07 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 1xin h GLU 81 Cb 0.82 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1xin h GLU 81 CO 0.02 0.82 -1.11 1.79 -1.00 0.00 0.00 179.01 179.53 1xin h THR 82 N 0.94 0.57 0.00 1.13 1.35 -1.30 -3.49 112.91 112.11 1xin h THR 82 Ca 0.21 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1xin h THR 82 Cb 0.25 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1xin h THR 82 CO -0.01 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1xin n GLY 83 N 1.33 0.69 3.81 5.82 0.00 0.11 -5.03 105.19 111.92 1xin n GLY 83 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1xin n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xin s LEU 84 N 0.00 4.01 0.38 0.99 1.02 -1.08 -4.98 118.68 119.02 1xin s LEU 84 Ca 0.00 1.76 0.08 0.00 0.02 0.00 0.00 54.13 55.99 1xin s LEU 84 Cb 0.00 -4.43 -0.06 0.00 0.02 0.00 0.00 46.19 41.73 1xin s LEU 84 CO 0.00 -0.37 0.09 0.27 0.02 0.00 0.00 176.35 176.37 1xin s ILE 85 N -2.03 2.46 -0.51 -0.59 -4.36 -0.94 -4.67 121.20 110.56 1xin s ILE 85 Ca 0.60 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1xin s ILE 85 Cb -0.12 -2.92 0.13 0.00 1.25 0.00 0.00 42.46 40.80 1xin s ILE 85 CO 0.17 -0.09 0.28 -0.69 0.24 0.00 0.00 174.94 174.84 1xin s VAL 86 N -2.57 3.06 -0.03 8.37 1.01 -1.26 -0.95 120.40 128.04 1xin s VAL 86 Ca 0.38 -2.81 0.20 0.00 0.00 0.00 0.00 61.98 59.74 1xin s VAL 86 Cb 0.03 -3.08 0.17 0.00 0.00 0.00 0.00 36.38 33.49 1xin s VAL 86 CO 0.21 -0.78 1.65 1.55 0.00 0.00 0.00 175.10 177.73 1xin h PRO 87 N 7.14 0.00 -3.21 2.72 0.14 -1.90 -3.14 132.00 133.75 1xin h PRO 87 Ca -0.06 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 65.99 1xin h PRO 87 Cb 0.96 0.00 -0.17 0.00 0.14 0.00 0.00 31.00 31.93 1xin h PRO 87 CO 0.67 0.33 -0.19 1.41 0.14 0.00 0.00 178.00 180.36 1xin s MET 88 N -3.34 0.85 0.08 0.86 -2.45 -1.26 -2.35 119.30 111.70 1xin s MET 88 Ca 0.02 -0.46 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 1xin s MET 88 Cb 0.09 0.37 -0.04 0.00 1.25 0.00 0.00 34.83 36.50 1xin s MET 88 CO 0.69 -0.28 -0.05 0.14 1.05 0.00 0.00 175.02 176.56 1xin s VAL 89 N -2.55 0.48 0.22 10.11 -7.23 -0.98 -4.11 120.40 116.34 1xin s VAL 89 Ca -0.05 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1xin s VAL 89 Cb -0.01 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1xin s VAL 89 CO -0.03 -0.92 0.27 0.28 -0.31 0.00 0.00 175.10 174.39 1xin s THR 90 N -3.76 0.00 0.03 5.32 -1.32 -0.81 -1.91 115.64 113.20 1xin s THR 90 Ca 0.10 -1.76 0.08 0.00 -1.21 0.00 0.00 61.69 58.91 1xin s THR 90 Cb 0.06 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.66 1xin s THR 90 CO -0.07 -0.01 -0.24 -0.89 -2.21 0.00 0.00 174.62 171.20 1xin s THR 91 N -4.10 2.34 -0.57 5.08 2.01 -1.26 -2.07 115.64 117.07 1xin s THR 91 Ca 0.32 -1.28 -0.24 0.00 0.31 0.00 0.00 61.69 60.80 1xin s THR 91 Cb 0.04 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.68 1xin s THR 91 CO 0.11 0.39 0.94 0.21 -0.69 0.00 0.00 174.62 175.57 1xin s ASN 92 N -1.20 6.30 -0.30 3.53 3.84 -1.26 -4.82 114.94 121.03 1xin s ASN 92 Ca 0.12 -0.49 0.08 0.00 0.21 0.00 0.00 52.86 52.78 1xin s ASN 92 Cb -0.10 -2.43 0.46 0.00 -0.55 0.00 0.00 41.25 38.63 1xin s ASN 92 CO 0.02 -1.26 1.35 0.18 -2.79 0.00 0.00 177.10 174.60 1xin n LEU 93 N 7.48 4.32 0.00 3.21 4.77 -1.26 -4.73 117.00 130.79 1xin n LEU 93 Ca 0.00 -4.21 0.00 0.00 -0.03 0.00 0.00 56.01 51.77 1xin n LEU 93 Cb 0.47 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1xin n LEU 93 CO 0.63 1.63 -0.02 2.22 -1.33 0.00 0.00 177.39 180.52 1xin n PHE 94 N -0.96 0.00 0.01 -1.77 1.16 -1.26 -4.40 117.46 110.24 1xin n PHE 94 Ca 0.36 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.82 1xin n PHE 94 Cb 0.89 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.67 1xin n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xin h THR 95 N 0.00 1.16 -3.63 1.97 2.02 -1.93 -3.45 112.91 109.04 1xin h THR 95 Ca 0.00 -1.31 -0.53 0.00 0.77 0.00 0.00 66.41 65.34 1xin h THR 95 Cb 0.04 1.95 0.08 0.00 -1.74 0.00 0.00 68.15 68.48 1xin h THR 95 CO 0.00 0.30 0.77 -2.28 0.37 0.00 0.00 175.52 174.68 1xin s HIS 96 N -3.51 2.84 0.53 3.16 2.46 -1.26 -4.89 115.29 114.61 1xin s HIS 96 Ca -0.15 1.09 0.34 0.00 0.47 0.00 0.00 55.06 56.81 1xin s HIS 96 Cb 0.00 -3.91 1.49 0.00 -0.13 0.00 0.00 32.58 30.04 1xin s HIS 96 CO 0.57 -2.81 1.82 -1.35 -2.47 0.00 0.00 174.74 170.50 1xin h PRO 97 N 4.07 0.04 -0.09 2.88 0.11 -2.02 0.13 132.00 137.12 1xin h PRO 97 Ca -0.48 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1xin h PRO 97 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xin h PRO 97 CO 0.72 0.03 0.07 -0.24 -0.21 0.00 0.00 178.00 178.36 1xin h VAL 98 N 0.04 0.93 -0.30 3.15 3.04 -1.96 -1.44 116.25 119.70 1xin h VAL 98 Ca 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.23 1xin h VAL 98 Cb 2.06 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1xin h VAL 98 CO -0.04 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.01 1xin n PHE 99 N -4.47 0.98 0.17 3.17 3.72 0.45 -4.51 117.46 116.97 1xin n PHE 99 Ca -0.01 -0.35 0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1xin n PHE 99 Cb 0.18 -0.27 0.79 0.00 -0.94 0.00 0.00 39.48 39.24 1xin n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xin h LYS 100 N 2.05 0.00 -0.23 -1.08 2.10 -1.39 -0.78 116.57 117.24 1xin h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xin h LYS 100 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1xin h LYS 100 CO 0.22 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.20 1xin n ASP 101 N -3.93 2.97 0.00 7.07 2.03 -1.26 -5.03 116.55 118.40 1xin n ASP 101 Ca 0.03 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.95 1xin n ASP 101 Cb 0.38 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1xin n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xin n GLY 102 N -0.15 1.84 0.00 0.27 0.00 -0.30 -3.70 105.19 103.16 1xin n GLY 102 Ca 0.13 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1xin n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xin n GLY 103 N -0.49 -0.26 0.28 -0.02 0.00 -1.26 -4.15 105.19 99.28 1xin n GLY 103 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1xin n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xin h PHE 104 N 0.00 0.00 -0.03 1.61 0.04 -1.87 -2.92 116.94 113.77 1xin h PHE 104 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xin h PHE 104 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1xin h PHE 104 CO 0.00 0.05 0.00 0.25 -0.60 0.00 0.00 178.31 178.01 1xin n THR 105 N -3.85 1.79 -1.69 -1.55 -2.24 -1.26 -4.44 114.28 101.05 1xin n THR 105 Ca -0.03 -2.03 -0.39 0.00 -2.27 0.00 0.00 64.05 59.33 1xin n THR 105 Cb 0.14 -0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1xin n THR 105 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1xin n SER 106 N -1.17 1.95 0.22 3.42 2.88 -1.10 -4.83 113.62 114.98 1xin n SER 106 Ca 0.14 0.94 0.08 0.00 -1.33 0.00 0.00 58.87 58.71 1xin n SER 106 Cb 0.61 -1.49 0.47 0.00 -0.75 0.00 0.00 64.21 63.05 1xin n SER 106 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1xin h ASN 107 N 1.21 0.00 -3.15 -3.46 2.35 -1.93 -3.41 115.58 107.19 1xin h ASN 107 Ca -0.49 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.68 1xin h ASN 107 Cb 1.33 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.64 1xin h ASN 107 CO 0.55 0.27 0.82 -0.62 -1.65 0.00 0.00 177.43 176.81 1xin s ASP 108 N -6.35 7.03 0.26 5.81 -1.08 -1.26 -4.96 116.67 116.12 1xin s ASP 108 Ca -0.01 1.28 -0.03 0.00 -0.52 0.00 0.00 52.55 53.27 1xin s ASP 108 Cb 0.12 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.44 1xin s ASP 108 CO 0.65 -0.75 1.85 -0.09 0.52 0.00 0.00 175.17 177.36 1xin h ARG 109 N 7.71 0.99 -0.65 4.34 2.43 -2.00 -2.39 114.38 124.81 1xin h ARG 109 Ca -0.20 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1xin h ARG 109 Cb 1.06 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 1xin h ARG 109 CO 1.00 0.65 0.33 0.66 -1.51 0.00 0.00 179.97 181.10 1xin h SER 110 N 1.02 0.82 -0.44 -3.80 4.64 -1.95 -1.45 113.55 112.39 1xin h SER 110 Ca 0.42 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 1xin h SER 110 Cb 0.26 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1xin h SER 110 CO -0.20 0.68 -0.08 0.58 -0.87 0.00 0.00 176.83 176.94 1xin h VAL 111 N 0.92 1.26 -0.50 0.95 2.07 -1.79 -1.88 116.25 117.29 1xin h VAL 111 Ca 0.23 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1xin h VAL 111 Cb 0.07 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1xin h VAL 111 CO -0.03 0.41 0.20 0.03 0.02 0.00 0.00 177.57 178.20 1xin h ARG 112 N 0.80 0.74 -0.21 1.57 3.08 -1.04 0.20 114.38 119.53 1xin h ARG 112 Ca 0.14 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1xin h ARG 112 Cb 0.60 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1xin h ARG 112 CO 0.04 0.66 0.11 0.00 -1.07 0.00 0.00 179.97 179.71 1xin h ARG 113 N 0.66 0.30 -0.31 0.04 3.08 -1.24 -2.84 114.38 114.09 1xin h ARG 113 Ca 0.17 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1xin h ARG 113 Cb 0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1xin h ARG 113 CO -0.01 0.30 0.10 -0.92 -1.07 0.00 0.00 179.97 178.37 1xin h TYR 114 N 0.22 0.18 -0.90 3.04 3.20 -1.09 -2.59 116.97 119.03 1xin h TYR 114 Ca 0.07 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1xin h TYR 114 Cb 0.10 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 1xin h TYR 114 CO -0.03 0.08 0.58 0.00 -1.64 0.00 0.00 178.16 177.15 1xin h ALA 115 N 1.20 1.21 -0.17 1.82 0.00 -0.42 -1.16 119.26 121.73 1xin h ALA 115 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xin h ALA 115 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xin h ALA 115 CO -0.14 0.41 0.09 0.82 0.00 0.00 0.00 179.25 180.42 1xin h ILE 116 N 1.11 1.12 -0.30 0.00 2.04 -1.30 -2.74 117.51 117.43 1xin h ILE 116 Ca 0.37 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1xin h ILE 116 Cb 0.06 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1xin h ILE 116 CO -0.14 0.12 0.07 0.03 0.00 0.00 0.00 178.15 178.24 1xin h ARG 117 N 0.16 0.19 -0.77 2.37 2.47 -1.06 0.84 114.38 118.57 1xin h ARG 117 Ca 0.06 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.89 1xin h ARG 117 Cb 0.11 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.30 1xin h ARG 117 CO -0.01 0.12 0.37 -0.22 0.56 0.00 0.00 179.97 180.79 1xin h LYS 118 N 0.19 0.55 -0.12 0.04 3.64 -1.04 -1.90 116.57 117.93 1xin h LYS 118 Ca 0.14 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1xin h LYS 118 Cb 0.14 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1xin h LYS 118 CO -0.17 0.37 -0.17 0.28 -2.27 0.00 0.00 179.45 177.48 1xin h VAL 119 N 0.57 1.37 -0.62 2.00 2.07 -1.13 -2.82 116.25 117.68 1xin h VAL 119 Ca 0.41 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.62 1xin h VAL 119 Cb 0.53 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 1xin h VAL 119 CO -0.34 0.41 0.24 -0.07 0.02 0.00 0.00 177.57 177.83 1xin h LEU 120 N -0.08 0.25 -0.50 2.57 3.38 -0.36 0.11 115.31 120.66 1xin h LEU 120 Ca 0.01 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1xin h LEU 120 Cb 0.73 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1xin h LEU 120 CO 0.04 0.14 0.27 -0.09 0.09 0.00 0.00 178.44 178.90 1xin h ARG 121 N 0.43 0.52 -0.21 1.13 2.43 -1.36 -1.34 114.38 115.99 1xin h ARG 121 Ca 0.31 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 1xin h ARG 121 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1xin h ARG 121 CO -0.30 0.35 -0.24 0.37 -1.51 0.00 0.00 179.97 178.63 1xin h GLN 122 N 0.54 0.38 -0.82 0.20 5.75 -1.03 -2.08 115.11 118.05 1xin h GLN 122 Ca 0.21 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1xin h GLN 122 Cb 0.08 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1xin h GLN 122 CO -0.13 0.60 0.39 0.52 -2.65 0.00 0.00 178.83 177.56 1xin h MET 123 N 0.34 1.18 0.15 1.69 2.86 0.03 -0.60 114.93 120.57 1xin h MET 123 Ca 0.05 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1xin h MET 123 Cb 0.61 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1xin h MET 123 CO 0.04 0.91 -0.16 -0.44 1.06 0.00 0.00 176.91 178.32 1xin h ASP 124 N 1.16 -0.42 -0.51 1.22 3.32 -0.56 -1.65 116.42 118.97 1xin h ASP 124 Ca 0.28 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1xin h ASP 124 Cb 0.12 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1xin h ASP 124 CO -0.04 -0.24 0.28 0.25 -1.72 0.00 0.00 179.24 177.78 1xin h LEU 125 N -0.34 0.63 -0.30 1.55 5.85 -1.34 -1.84 115.31 119.52 1xin h LEU 125 Ca 0.01 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1xin h LEU 125 Cb 0.33 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1xin h LEU 125 CO -0.05 0.54 -0.10 1.23 -0.34 0.00 0.00 178.44 179.71 1xin h GLY 126 N 0.68 0.17 0.98 3.75 0.00 -0.90 -0.70 103.07 107.05 1xin h GLY 126 Ca 0.18 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.65 1xin h GLY 126 CO -0.03 -0.13 0.35 0.00 0.00 0.00 0.00 176.54 176.73 1xin h ALA 127 N 1.23 0.69 -0.53 3.60 0.00 -1.10 -0.03 119.26 123.13 1xin h ALA 127 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xin h ALA 127 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xin h ALA 127 CO -0.33 0.11 0.12 1.49 0.00 0.00 0.00 179.25 180.64 1xin h GLU 128 N 0.72 0.81 -0.01 0.00 4.81 -0.76 -2.82 114.58 117.33 1xin h GLU 128 Ca 0.20 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xin h GLU 128 Cb -0.06 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1xin h GLU 128 CO -0.05 0.73 -0.04 1.28 -0.73 0.00 0.00 179.01 180.20 1xin n LEU 129 N -4.28 0.73 0.00 1.64 4.77 -0.32 -4.94 117.00 114.60 1xin n LEU 129 Ca 0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1xin n LEU 129 Cb 0.23 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1xin n LEU 129 CO 0.40 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1xin n GLY 130 N 1.15 0.58 3.76 -0.72 0.00 -0.80 -4.53 105.19 104.63 1xin n GLY 130 Ca 0.19 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1xin n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xin s ALA 131 N -2.00 3.15 -0.03 4.61 0.00 -0.09 -4.87 121.76 122.53 1xin s ALA 131 Ca 0.00 1.34 0.14 0.00 0.00 0.00 0.00 51.96 53.44 1xin s ALA 131 Cb 0.00 -3.54 -0.21 0.00 0.00 0.00 0.00 23.12 19.37 1xin s ALA 131 CO 0.00 -1.10 0.28 1.63 0.00 0.00 0.00 175.76 176.57 1xin n LYS 132 N -0.29 0.56 -5.02 0.00 5.02 -0.99 -4.60 118.16 112.84 1xin n LYS 132 Ca 0.06 -0.11 -0.28 0.00 -2.02 0.00 0.00 58.31 55.95 1xin n LYS 132 Cb 0.43 -1.33 -0.16 0.00 -0.02 0.00 0.00 35.03 33.95 1xin n LYS 132 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xin s THR 133 N -2.90 1.70 -0.25 -0.18 2.01 -1.12 -0.99 115.64 113.91 1xin s THR 133 Ca -0.05 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 1xin s THR 133 Cb 0.08 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1xin s THR 133 CO 0.57 0.48 0.05 -0.22 -0.69 0.00 0.00 174.62 174.82 1xin s LEU 134 N -0.03 3.38 -0.06 4.42 2.96 0.64 -2.32 118.68 127.67 1xin s LEU 134 Ca -0.04 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.47 1xin s LEU 134 Cb -0.13 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1xin s LEU 134 CO 0.03 -0.04 0.37 -0.69 -1.32 0.00 0.00 176.35 174.70 1xin s VAL 135 N 1.59 5.15 -0.25 1.68 1.01 -0.81 -0.47 120.40 128.31 1xin s VAL 135 Ca 0.06 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1xin s VAL 135 Cb -0.15 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1xin s VAL 135 CO 0.03 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.77 1xin s LEU 136 N -0.57 3.18 -0.36 3.92 1.43 -0.05 -4.24 118.68 121.99 1xin s LEU 136 Ca 0.22 -1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 51.98 1xin s LEU 136 Cb -0.15 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.63 1xin s LEU 136 CO 0.10 -0.17 0.13 0.86 0.23 0.00 0.00 176.35 177.50 1xin s TRP 137 N 1.16 3.32 -1.43 0.29 -0.00 -1.26 -0.87 118.94 120.15 1xin s TRP 137 Ca -0.07 -1.64 -0.08 0.00 -0.00 0.00 0.00 56.10 54.32 1xin s TRP 137 Cb -0.19 -2.52 0.05 0.00 -0.00 0.00 0.00 33.47 30.81 1xin s TRP 137 CO -0.06 -0.80 2.53 0.41 -0.00 0.00 0.00 176.95 179.03 1xin n GLY 138 N 4.78 4.80 0.31 5.86 0.00 -1.26 -4.77 105.19 114.91 1xin n GLY 138 Ca -0.11 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1xin n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xin h GLY 139 N 6.54 0.00 -1.77 -0.02 0.00 -1.92 -1.67 103.07 104.23 1xin h GLY 139 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1xin h GLY 139 CO 1.62 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.70 1xin n ARG 140 N -4.34 2.12 -2.86 4.80 5.12 -1.26 -3.94 116.66 116.29 1xin n ARG 140 Ca 0.01 -1.97 -0.43 0.00 -1.93 0.00 0.00 57.85 53.54 1xin n ARG 140 Cb 0.26 -1.40 -0.04 0.00 -1.16 0.00 0.00 32.46 30.13 1xin n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xin s GLU 141 N -1.30 3.73 0.00 5.56 0.41 -0.63 -2.63 118.70 123.84 1xin s GLU 141 Ca 0.29 0.38 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 1xin s GLU 141 Cb 0.17 -3.84 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 1xin s GLU 141 CO 0.24 -0.98 0.00 0.41 -0.49 0.00 0.00 175.26 174.44 1xin n GLY 142 N 4.57 -0.24 3.68 -1.39 0.00 -1.26 -0.94 105.19 109.60 1xin n GLY 142 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1xin n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xin s ALA 143 N -1.00 -1.92 -0.06 4.61 0.00 -0.28 -4.89 121.76 118.22 1xin s ALA 143 Ca 0.00 0.48 0.13 0.00 0.00 0.00 0.00 51.96 52.57 1xin s ALA 143 Cb 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 23.12 23.40 1xin s ALA 143 CO 0.00 -1.00 0.21 0.39 0.00 0.00 0.00 175.76 175.36 1xin n GLU 144 N -0.44 0.98 -4.72 0.00 4.71 -1.26 -1.34 120.64 118.56 1xin n GLU 144 Ca -0.07 -0.08 -0.24 0.00 -0.01 0.00 0.00 57.16 56.76 1xin n GLU 144 Cb 0.61 -1.33 -0.16 0.00 -1.01 0.00 0.00 31.44 29.56 1xin n GLU 144 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1xin s TYR 145 N -2.72 1.50 0.23 -0.32 2.02 -1.26 -4.89 117.35 111.91 1xin s TYR 145 Ca -0.06 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.17 1xin s TYR 145 Cb 0.07 -1.01 0.29 0.00 -0.40 0.00 0.00 41.96 40.91 1xin s TYR 145 CO 0.56 -0.13 1.84 -0.44 -1.57 0.00 0.00 175.55 175.81 1xin h ASP 146 N 6.23 0.78 0.77 2.29 3.32 -1.94 -2.86 116.42 125.00 1xin h ASP 146 Ca -0.33 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1xin h ASP 146 Cb 1.17 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1xin h ASP 146 CO 0.48 0.50 0.00 -1.54 -1.72 0.00 0.00 179.24 176.97 1xin n SER 147 N -4.65 0.03 0.19 6.45 3.41 -1.26 -3.66 113.62 114.13 1xin n SER 147 Ca 0.11 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1xin n SER 147 Cb 0.16 -0.51 0.23 0.00 -0.26 0.00 0.00 64.21 63.83 1xin n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xin h ALA 148 N 2.74 1.00 -3.30 7.33 0.00 -1.95 -3.45 119.26 121.64 1xin h ALA 148 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1xin h ALA 148 Cb 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.80 1xin h ALA 148 CO 0.00 0.00 -0.77 0.21 0.00 0.00 0.00 179.25 178.69 1xin s LYS 149 N -3.19 0.61 -0.65 0.00 2.47 -1.24 -5.02 119.74 112.72 1xin s LYS 149 Ca 0.08 0.08 -0.24 0.00 -1.56 0.00 0.00 55.97 54.33 1xin s LYS 149 Cb 0.07 -0.92 0.06 0.00 -1.46 0.00 0.00 37.83 35.58 1xin s LYS 149 CO 0.65 -0.26 1.02 0.34 0.16 0.00 0.00 175.35 177.25 1xin s ASP 150 N 1.77 6.21 0.26 1.43 -1.08 -1.26 -4.91 116.67 119.08 1xin s ASP 150 Ca 0.02 -0.76 -0.04 0.00 -0.52 0.00 0.00 52.55 51.25 1xin s ASP 150 Cb -0.13 -2.45 0.36 0.00 -1.46 0.00 0.00 42.92 39.25 1xin s ASP 150 CO -0.04 -1.47 1.89 0.58 0.52 0.00 0.00 175.17 176.65 1xin h VAL 151 N 5.99 1.12 0.21 1.11 2.07 -1.98 0.18 116.25 124.96 1xin h VAL 151 Ca -0.28 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1xin h VAL 151 Cb 1.07 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xin h VAL 151 CO 1.18 0.22 -0.10 -1.28 0.02 0.00 0.00 177.57 177.60 1xin h SER 152 N 1.19 -0.24 -0.78 0.57 0.87 -1.99 0.15 113.55 113.31 1xin h SER 152 Ca 0.41 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1xin h SER 152 Cb 0.09 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1xin h SER 152 CO -0.15 -0.13 0.50 0.00 -0.53 0.00 0.00 176.83 176.52 1xin h ALA 153 N 0.44 0.99 -0.39 6.23 0.00 -1.90 -1.78 119.26 122.86 1xin h ALA 153 Ca -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xin h ALA 153 Cb 0.26 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xin h ALA 153 CO 0.05 0.43 0.23 0.00 0.00 0.00 0.00 179.25 179.95 1xin h ALA 154 N 1.27 0.49 -0.46 0.00 0.00 -0.32 -0.51 119.26 119.73 1xin h ALA 154 Ca 0.28 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1xin h ALA 154 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xin h ALA 154 CO -0.06 -0.11 0.01 -0.07 0.00 0.00 0.00 179.25 179.02 1xin h LEU 155 N 0.46 0.71 -0.31 0.00 3.38 -0.50 -0.33 115.31 118.73 1xin h LEU 155 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xin h LEU 155 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1xin h LEU 155 CO -0.07 0.77 0.16 0.44 0.09 0.00 0.00 178.44 179.83 1xin h ASP 156 N 0.70 0.39 0.36 -0.43 3.32 -0.72 -1.81 116.42 118.23 1xin h ASP 156 Ca 0.14 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 1xin h ASP 156 Cb 0.42 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1xin h ASP 156 CO 0.02 0.39 -0.46 0.03 -1.72 0.00 0.00 179.24 177.49 1xin h ARG 157 N 0.37 0.13 -0.26 3.56 2.47 -0.66 -0.11 114.38 119.87 1xin h ARG 157 Ca 0.11 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 1xin h ARG 157 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1xin h ARG 157 CO -0.02 0.57 -0.04 -0.92 0.56 0.00 0.00 179.97 180.12 1xin h TYR 158 N 0.10 0.54 -0.16 3.04 5.03 -0.86 -2.57 116.97 122.10 1xin h TYR 158 Ca 0.01 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 1xin h TYR 158 Cb 0.86 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 1xin h TYR 158 CO 0.01 0.68 0.05 -0.09 -1.32 0.00 0.00 178.16 177.48 1xin h ARG 159 N 0.24 0.24 -0.42 1.82 2.43 -1.25 -1.28 114.38 116.16 1xin h ARG 159 Ca 0.07 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1xin h ARG 159 Cb 0.49 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1xin h ARG 159 CO 0.02 0.37 0.05 1.49 -1.51 0.00 0.00 179.97 180.39 1xin h GLU 160 N 0.07 0.16 -0.20 0.20 4.81 -0.98 0.13 114.58 118.77 1xin h GLU 160 Ca 0.05 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1xin h GLU 160 Cb 0.23 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xin h GLU 160 CO -0.00 0.11 0.05 0.00 -0.73 0.00 0.00 179.01 178.43 1xin h ALA 161 N 1.34 0.26 -0.49 2.92 0.00 -1.39 -2.96 119.26 118.94 1xin h ALA 161 Ca 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1xin h ALA 161 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xin h ALA 161 CO -0.30 -0.09 -0.01 -0.07 0.00 0.00 0.00 179.25 178.79 1xin h LEU 162 N 0.13 0.79 -1.13 0.00 3.38 -0.77 -2.38 115.31 115.33 1xin h LEU 162 Ca 0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1xin h LEU 162 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xin h LEU 162 CO 0.00 0.86 0.12 0.78 0.09 0.00 0.00 178.44 180.28 1xin h ASN 163 N 0.76 0.68 -0.38 -0.43 2.35 -0.98 -2.18 115.58 115.39 1xin h ASN 163 Ca 0.15 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 1xin h ASN 163 Cb 0.47 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1xin h ASN 163 CO 0.02 0.67 -0.25 0.25 -1.65 0.00 0.00 177.43 176.47 1xin h LEU 164 N 0.71 0.88 -0.68 1.61 6.46 -1.31 -2.45 115.31 120.53 1xin h LEU 164 Ca 0.16 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1xin h LEU 164 Cb 0.27 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1xin h LEU 164 CO -0.00 1.12 0.39 -0.07 -0.62 0.00 0.00 178.44 179.26 1xin h LEU 165 N 0.65 0.84 -0.62 2.25 3.38 -1.08 -1.14 115.31 119.58 1xin h LEU 165 Ca 0.08 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1xin h LEU 165 Cb 0.82 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1xin h LEU 165 CO 0.07 0.68 -0.17 0.00 0.09 0.00 0.00 178.44 179.11 1xin h ALA 166 N 1.19 0.82 0.34 1.53 0.00 -1.39 -1.84 119.26 119.92 1xin h ALA 166 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xin h ALA 166 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xin h ALA 166 CO -0.04 0.65 -0.25 0.37 0.00 0.00 0.00 179.25 179.98 1xin h GLN 167 N 0.79 -0.57 -0.12 0.00 5.75 -1.06 -0.80 115.11 119.10 1xin h GLN 167 Ca 0.12 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 1xin h GLN 167 Cb 0.71 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 1xin h GLN 167 CO 0.05 -0.38 -0.06 -0.92 -2.65 0.00 0.00 178.83 174.87 1xin h TYR 168 N -0.59 -0.15 -0.57 3.99 3.20 -1.17 -0.27 116.97 121.40 1xin h TYR 168 Ca -0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1xin h TYR 168 Cb 0.51 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1xin h TYR 168 CO -0.12 -0.10 0.29 1.03 -1.64 0.00 0.00 178.16 177.61 1xin h SER 169 N -0.06 0.74 -0.50 -2.11 0.87 -1.19 0.57 113.55 111.87 1xin h SER 169 Ca 0.07 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1xin h SER 169 Cb 0.16 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1xin h SER 169 CO -0.16 0.65 0.17 -0.33 -0.53 0.00 0.00 176.83 176.63 1xin h GLU 170 N 0.78 0.77 -0.49 2.24 4.39 -0.94 0.17 114.58 121.49 1xin h GLU 170 Ca 0.20 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1xin h GLU 170 Cb 0.09 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1xin h GLU 170 CO -0.03 0.71 -0.20 -0.44 -1.16 0.00 0.00 179.01 177.90 1xin h ASP 171 N 0.68 1.03 0.58 1.42 5.19 -0.78 -2.61 116.42 121.93 1xin h ASP 171 Ca 0.16 -0.39 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1xin h ASP 171 Cb 0.26 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1xin h ASP 171 CO -0.01 1.19 -0.02 0.54 -3.12 0.00 0.00 179.24 177.83 1xin n ARG 172 N -4.12 0.41 -2.44 3.56 5.12 0.17 -4.93 116.66 114.44 1xin n ARG 172 Ca 0.00 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.75 1xin n ARG 172 Cb 0.45 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 1xin n ARG 172 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xin n GLY 173 N 1.30 -0.22 0.24 -0.13 0.00 -0.20 -4.93 105.19 101.26 1xin n GLY 173 Ca 0.14 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1xin n GLY 173 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xin h TYR 174 N -0.30 0.00 -4.54 1.61 0.05 -1.32 -3.48 116.97 108.99 1xin h TYR 174 Ca -0.36 0.00 -0.40 0.00 0.05 0.00 0.00 58.73 58.01 1xin h TYR 174 Cb 1.26 0.00 0.05 0.00 1.01 0.00 0.00 36.73 39.05 1xin h TYR 174 CO 0.39 0.17 -0.60 0.41 -1.05 0.00 0.00 178.16 177.47 1xin n GLY 175 N 0.02 -0.52 3.87 3.88 0.00 -1.26 -4.98 105.19 106.21 1xin n GLY 175 Ca -0.00 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1xin n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xin s LEU 176 N -6.67 3.38 0.04 0.99 1.43 -1.26 -4.93 118.68 111.66 1xin s LEU 176 Ca 0.31 1.32 0.07 0.00 -1.03 0.00 0.00 54.13 54.80 1xin s LEU 176 Cb -0.14 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 1xin s LEU 176 CO 0.38 -0.76 -0.19 -0.13 0.23 0.00 0.00 176.35 175.88 1xin s ARG 177 N -4.91 2.05 -0.14 1.70 1.81 -0.16 -4.99 118.95 114.29 1xin s ARG 177 Ca 0.54 -0.99 -0.02 0.00 -1.72 0.00 0.00 55.73 53.53 1xin s ARG 177 Cb -0.11 -2.17 -0.02 0.00 -0.45 0.00 0.00 34.95 32.20 1xin s ARG 177 CO 0.49 0.54 -0.07 -0.06 -0.68 0.00 0.00 175.30 175.51 1xin s PHE 178 N -0.91 2.94 -0.21 -0.53 0.40 -0.33 -0.26 117.98 119.08 1xin s PHE 178 Ca 0.14 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1xin s PHE 178 Cb -0.10 -1.91 0.05 0.00 0.51 0.00 0.00 43.02 41.57 1xin s PHE 178 CO 0.05 -0.09 -0.09 0.00 0.70 0.00 0.00 175.22 175.80 1xin s ALA 179 N 0.31 1.97 -0.06 5.36 0.00 0.38 -0.45 121.76 129.28 1xin s ALA 179 Ca -0.06 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 1xin s ALA 179 Cb -0.15 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1xin s ALA 179 CO 0.04 -0.94 0.99 0.42 0.00 0.00 0.00 175.76 176.28 1xin s ILE 180 N 1.40 4.83 -0.31 0.00 -1.09 -0.53 -0.87 121.20 124.62 1xin s ILE 180 Ca -0.03 2.05 -0.08 0.00 -2.23 0.00 0.00 60.65 60.36 1xin s ILE 180 Cb -0.17 -4.32 0.01 0.00 -1.58 0.00 0.00 42.46 36.40 1xin s ILE 180 CO -0.07 0.08 0.12 -0.70 -1.23 0.00 0.00 174.94 173.13 1xin s GLU 181 N 1.54 3.10 0.37 2.79 2.12 -0.04 -1.48 118.70 127.09 1xin s GLU 181 Ca 0.50 -0.87 -0.25 0.00 0.36 0.00 0.00 54.97 54.71 1xin s GLU 181 Cb -0.20 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.62 1xin s GLU 181 CO 0.23 -0.48 1.03 -1.25 -0.54 0.00 0.00 175.26 174.24 1xin s PRO 182 N 1.53 4.31 -0.24 4.30 0.05 -1.26 -4.32 135.00 139.37 1xin s PRO 182 Ca 0.03 1.48 -0.17 0.00 0.05 0.00 0.00 61.00 62.39 1xin s PRO 182 Cb -0.18 -2.65 0.07 0.00 0.05 0.00 0.00 34.50 31.79 1xin s PRO 182 CO 0.04 -0.01 0.60 0.21 0.05 0.00 0.00 177.00 177.90 1xin s LYS 183 N -2.32 0.66 0.09 4.56 2.20 -1.22 -4.63 119.74 119.07 1xin s LYS 183 Ca 0.55 0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 57.04 1xin s LYS 183 Cb -0.22 0.21 -0.21 0.00 -1.51 0.00 0.00 37.83 36.10 1xin s LYS 183 CO 0.27 -0.12 1.19 -1.00 -0.36 0.00 0.00 175.35 175.33 1xin h PRO 184 N 6.15 0.50 -2.66 4.03 0.13 -1.70 -3.38 132.00 135.07 1xin h PRO 184 Ca -0.30 -0.63 0.12 0.00 -0.87 0.00 0.00 66.00 64.32 1xin h PRO 184 Cb 1.19 0.20 -0.06 0.00 0.13 0.00 0.00 31.00 32.46 1xin h PRO 184 CO 0.16 1.25 0.36 0.54 -0.23 0.00 0.00 178.00 180.09 1xin s ASN 185 N -7.25 -0.21 -0.01 1.44 4.22 -1.26 -1.92 114.94 109.95 1xin s ASN 185 Ca -0.07 -0.52 -0.01 0.00 -2.14 0.00 0.00 52.86 50.12 1xin s ASN 185 Cb 0.07 0.61 0.00 0.00 1.28 0.00 0.00 41.25 43.21 1xin s ASN 185 CO 0.90 -1.13 0.02 1.21 -2.04 0.00 0.00 177.10 176.06 1xin n GLU 186 N -0.47 -1.07 0.07 3.55 2.13 -1.26 -4.84 120.64 118.74 1xin n GLU 186 Ca -0.05 1.18 0.13 0.00 0.66 0.00 0.00 57.16 59.08 1xin n GLU 186 Cb 0.60 -1.59 0.42 0.00 0.27 0.00 0.00 31.44 31.14 1xin n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xin n PRO 187 N 0.38 0.19 -2.19 5.31 -0.04 -1.26 -5.02 135.00 132.38 1xin n PRO 187 Ca -0.04 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 1xin n PRO 187 Cb 0.05 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1xin n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xin s ARG 188 N -3.08 3.61 0.20 0.54 1.81 -1.25 -4.96 118.95 115.81 1xin s ARG 188 Ca 0.11 0.57 -0.11 0.00 -1.72 0.00 0.00 55.73 54.58 1xin s ARG 188 Cb 0.14 -2.19 0.23 0.00 -0.45 0.00 0.00 34.95 32.68 1xin s ARG 188 CO 0.60 -0.41 1.75 0.78 -0.68 0.00 0.00 175.30 177.34 1xin h GLY 189 N -0.00 0.78 -6.28 -3.53 0.00 -1.83 -3.41 103.07 88.80 1xin h GLY 189 Ca -0.45 -0.12 -0.28 0.00 0.00 0.00 0.00 47.33 46.48 1xin h GLY 189 CO 0.62 0.01 -0.70 0.99 0.00 0.00 0.00 176.54 177.45 1xin s ASP 190 N -5.41 0.03 -0.04 0.19 1.01 -0.45 -4.64 116.67 107.36 1xin s ASP 190 Ca -0.13 0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.17 1xin s ASP 190 Cb 0.16 -0.01 -0.04 0.00 1.01 0.00 0.00 42.92 44.04 1xin s ASP 190 CO 0.74 -0.11 0.15 -0.63 0.21 0.00 0.00 175.17 175.53 1xin s ILE 191 N 0.87 5.32 0.51 0.77 1.01 -0.81 -1.13 121.20 127.74 1xin s ILE 191 Ca -0.07 -0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.28 1xin s ILE 191 Cb -0.10 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1xin s ILE 191 CO -0.03 0.43 1.15 -0.76 0.00 0.00 0.00 174.94 175.73 1xin s LEU 192 N -1.61 3.86 -0.86 2.97 1.43 -0.12 -3.71 118.68 120.65 1xin s LEU 192 Ca 0.23 2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 55.54 1xin s LEU 192 Cb -0.12 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1xin s LEU 192 CO 0.13 -1.10 0.76 0.18 0.23 0.00 0.00 176.35 176.55 1xin n LEU 193 N -0.95 -5.83 0.26 1.79 4.77 -1.26 -4.78 117.00 111.00 1xin n LEU 193 Ca 0.10 -0.38 0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1xin n LEU 193 Cb 0.50 -3.10 0.65 0.00 -2.33 0.00 0.00 43.42 39.14 1xin n LEU 193 CO 0.45 -0.56 0.93 1.55 -1.33 0.00 0.00 177.39 178.43 1xin h PRO 194 N -0.20 0.00 -4.95 3.23 0.13 -1.73 -3.27 132.00 125.21 1xin h PRO 194 Ca -0.26 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.44 1xin h PRO 194 Cb 1.14 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 1xin h PRO 194 CO 0.36 0.12 -0.57 0.95 -0.23 0.00 0.00 178.00 178.63 1xin s THR 195 N -3.86 0.52 0.27 1.56 -4.23 -1.26 -2.32 115.64 106.33 1xin s THR 195 Ca -0.01 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1xin s THR 195 Cb 0.11 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.67 1xin s THR 195 CO 0.58 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.58 1xin h ALA 196 N 2.17 1.38 0.28 3.99 0.00 -1.91 -1.89 119.26 123.29 1xin h ALA 196 Ca -0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1xin h ALA 196 Cb 1.25 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xin h ALA 196 CO 0.57 0.53 -0.14 0.78 0.00 0.00 0.00 179.25 180.99 1xin h GLY 197 N 1.21 -0.39 1.01 0.00 0.00 -1.96 -1.08 103.07 101.86 1xin h GLY 197 Ca 0.38 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 1xin h GLY 197 CO -0.11 -0.15 0.49 0.45 0.00 0.00 0.00 176.54 177.22 1xin h HIS 198 N -0.38 1.08 -0.49 5.60 -0.00 -1.85 -0.94 115.15 118.17 1xin h HIS 198 Ca -0.04 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.28 1xin h HIS 198 Cb 0.29 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1xin h HIS 198 CO -0.06 0.72 0.12 0.00 -0.00 0.00 0.00 177.93 178.71 1xin h ALA 199 N 1.26 0.65 -0.13 2.45 0.00 -1.21 -1.68 119.26 120.60 1xin h ALA 199 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xin h ALA 199 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xin h ALA 199 CO -0.05 0.34 0.04 0.82 0.00 0.00 0.00 179.25 180.39 1xin h ILE 200 N 0.67 1.18 -0.59 0.00 2.04 -0.98 -2.13 117.51 117.71 1xin h ILE 200 Ca 0.15 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1xin h ILE 200 Cb 0.33 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1xin h ILE 200 CO 0.00 0.17 0.31 0.00 0.00 0.00 0.00 178.15 178.62 1xin h ALA 201 N 0.85 0.77 -0.29 1.87 0.00 -1.06 -2.81 119.26 118.59 1xin h ALA 201 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xin h ALA 201 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xin h ALA 201 CO -0.00 -0.03 0.17 0.35 0.00 0.00 0.00 179.25 179.74 1xin h PHE 202 N 0.58 0.32 -0.44 0.00 3.57 -1.13 -2.97 116.94 116.87 1xin h PHE 202 Ca 0.26 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.85 1xin h PHE 202 Cb 0.17 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1xin h PHE 202 CO -0.10 0.19 0.30 0.28 -2.23 0.00 0.00 178.31 176.76 1xin h VAL 203 N 0.35 0.92 0.00 1.41 2.07 -1.14 -0.84 116.25 119.03 1xin h VAL 203 Ca 0.11 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1xin h VAL 203 Cb -0.01 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1xin h VAL 203 CO -0.05 0.05 0.00 1.56 0.02 0.00 0.00 177.57 179.15 1xin h GLN 204 N 0.28 0.00 -0.02 1.57 4.20 -1.34 -2.17 115.11 117.63 1xin h GLN 204 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1xin h GLN 204 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1xin h GLN 204 CO -0.04 0.00 -0.16 0.39 -0.67 0.00 0.00 178.83 178.35 1xin n GLU 205 N -2.38 1.74 -1.63 1.46 -0.58 -0.32 -4.94 120.64 113.99 1xin n GLU 205 Ca 0.01 -1.34 -0.29 0.00 -0.42 0.00 0.00 57.16 55.11 1xin n GLU 205 Cb 0.18 -1.47 0.16 0.00 -0.57 0.00 0.00 31.44 29.73 1xin n GLU 205 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1xin s LEU 206 N -2.19 2.08 0.04 -4.62 1.43 -0.82 -5.00 118.68 109.62 1xin s LEU 206 Ca 0.27 0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 53.88 1xin s LEU 206 Cb 0.20 -2.90 -0.15 0.00 0.03 0.00 0.00 46.19 43.37 1xin s LEU 206 CO 0.41 -2.72 1.32 -0.08 0.23 0.00 0.00 176.35 175.51 1xin h GLU 207 N -1.62 0.43 -2.43 1.70 4.81 -1.93 -3.36 114.58 112.18 1xin h GLU 207 Ca -0.47 -0.25 -0.60 0.00 -0.13 0.00 0.00 59.36 57.90 1xin h GLU 207 Cb 1.30 0.02 -0.42 0.00 0.63 0.00 0.00 28.75 30.29 1xin h GLU 207 CO 0.53 0.84 -0.64 0.54 -0.73 0.00 0.00 179.01 179.54 1xin n ARG 208 N -4.46 2.09 0.16 1.92 5.12 -1.26 -4.95 116.66 115.28 1xin n ARG 208 Ca -0.06 -4.44 0.16 0.00 -1.93 0.00 0.00 57.85 51.58 1xin n ARG 208 Cb 0.42 -2.15 0.77 0.00 -1.16 0.00 0.00 32.46 30.34 1xin n ARG 208 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1xin h PRO 209 N 4.55 0.00 0.00 5.56 0.13 -1.80 -1.22 132.00 139.22 1xin h PRO 209 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1xin h PRO 209 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1xin h PRO 209 CO 0.75 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.57 1xin h GLU 210 N 0.00 0.00 -0.01 0.86 9.09 -1.92 -1.72 114.58 120.89 1xin h GLU 210 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 1xin h GLU 210 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1xin h GLU 210 CO -0.00 0.00 -0.31 1.28 0.05 0.00 0.00 179.01 180.02 1xin n LEU 211 N -2.95 0.87 -4.47 3.06 4.77 -0.46 -4.92 117.00 112.90 1xin n LEU 211 Ca -0.00 -0.18 -0.32 0.00 -0.03 0.00 0.00 56.01 55.47 1xin n LEU 211 Cb 0.22 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1xin n LEU 211 CO 0.24 0.17 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.65 1xin s PHE 212 N -2.63 2.67 0.00 -1.77 0.40 -0.65 -1.19 117.98 114.81 1xin s PHE 212 Ca 0.21 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1xin s PHE 212 Cb 0.19 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 42.13 1xin s PHE 212 CO 0.56 0.20 0.00 0.41 0.70 0.00 0.00 175.22 177.09 1xin n GLY 213 N 2.14 3.68 3.40 4.36 0.00 0.40 -4.96 105.19 114.21 1xin n GLY 213 Ca -0.17 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 1xin n GLY 213 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xin s ILE 214 N -2.26 1.88 -0.62 -0.61 -4.36 -0.26 -1.45 121.20 113.52 1xin s ILE 214 Ca 0.00 -2.23 0.05 0.00 -0.26 0.00 0.00 60.65 58.21 1xin s ILE 214 Cb 0.00 -2.21 0.17 0.00 1.25 0.00 0.00 42.46 41.67 1xin s ILE 214 CO 0.00 -0.48 0.46 -3.20 0.24 0.00 0.00 174.94 171.96 1xin n ASN 215 N -0.49 2.04 -4.78 4.36 5.15 -0.55 -2.33 115.26 118.65 1xin n ASN 215 Ca -0.07 -2.98 -0.35 0.00 -0.60 0.00 0.00 54.58 50.58 1xin n ASN 215 Cb 0.61 -0.70 -0.02 0.00 -0.53 0.00 0.00 39.78 39.14 1xin n ASN 215 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xin s PRO 216 N -1.07 3.74 -0.07 1.20 0.04 -1.26 -4.29 135.00 133.30 1xin s PRO 216 Ca 0.28 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1xin s PRO 216 Cb -0.01 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1xin s PRO 216 CO -0.18 -0.51 -0.25 -2.00 0.04 0.00 0.00 177.00 174.11 1xin s GLU 217 N -3.01 2.70 0.10 4.56 2.12 -1.26 -1.77 118.70 122.14 1xin s GLU 217 Ca 0.66 -0.90 -0.22 0.00 0.36 0.00 0.00 54.97 54.87 1xin s GLU 217 Cb -0.22 -2.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.91 1xin s GLU 217 CO 0.26 0.32 1.38 1.15 -0.54 0.00 0.00 175.26 177.83 1xin h THR 218 N 5.25 0.00 0.00 -1.70 2.02 -1.70 -1.99 112.91 114.80 1xin h THR 218 Ca -0.28 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1xin h THR 218 Cb 1.20 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1xin h THR 218 CO 0.47 0.00 -0.07 1.23 0.37 0.00 0.00 175.52 177.52 1xin h GLY 219 N -0.13 0.00 0.89 2.16 0.00 -1.86 -2.71 103.07 101.42 1xin h GLY 219 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1xin h GLY 219 CO -0.54 0.00 -0.11 3.43 0.00 0.00 0.00 176.54 179.32 1xin h ASN 220 N 0.00 -0.25 -0.23 0.19 2.35 -1.70 -0.68 115.58 115.26 1xin h ASN 220 Ca -0.00 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1xin h ASN 220 Cb 0.13 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1xin h ASN 220 CO 0.01 -0.08 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.23 1xin h GLU 221 N -0.41 0.65 0.00 0.81 4.39 -1.45 -2.90 114.58 115.67 1xin h GLU 221 Ca -0.03 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1xin h GLU 221 Cb 0.31 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1xin h GLU 221 CO 0.05 0.78 0.00 1.96 -1.16 0.00 0.00 179.01 180.64 1xin h GLN 222 N 0.59 0.00 0.00 2.33 4.20 -1.15 -2.12 115.11 118.96 1xin h GLN 222 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1xin h GLN 222 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1xin h GLN 222 CO 0.04 0.00 -0.05 0.52 -0.67 0.00 0.00 178.83 178.67 1xin h MET 223 N 0.00 0.00 -0.30 1.46 2.86 -0.91 -0.59 114.93 117.46 1xin h MET 223 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xin h MET 223 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1xin h MET 223 CO 0.00 0.05 0.00 0.43 1.06 0.00 0.00 176.91 178.45 1xin n SER 224 N -3.22 3.03 -2.05 1.22 7.64 -1.06 -4.11 113.62 115.06 1xin n SER 224 Ca -0.01 -1.88 -0.17 0.00 1.01 0.00 0.00 58.87 57.83 1xin n SER 224 Cb 0.26 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1xin n SER 224 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1xin n ASN 225 N 1.11 -4.91 -4.93 6.43 5.15 -0.23 -5.01 115.26 112.86 1xin n ASN 225 Ca 0.15 -0.10 -0.26 0.00 -0.60 0.00 0.00 54.58 53.77 1xin n ASN 225 Cb 0.50 -3.92 0.03 0.00 -0.53 0.00 0.00 39.78 35.86 1xin n ASN 225 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xin s LEU 226 N -4.88 3.29 -0.42 1.20 1.43 -0.82 -4.99 118.68 113.49 1xin s LEU 226 Ca 0.09 0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 1xin s LEU 226 Cb -0.04 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.77 1xin s LEU 226 CO 0.12 -1.03 0.60 0.21 0.23 0.00 0.00 176.35 176.48 1xin s ASN 227 N -4.30 6.32 0.06 2.29 3.84 -1.26 -4.36 114.94 117.52 1xin s ASN 227 Ca 0.53 -0.30 -0.30 0.00 0.21 0.00 0.00 52.86 53.00 1xin s ASN 227 Cb -0.10 -2.30 -0.18 0.00 -0.55 0.00 0.00 41.25 38.12 1xin s ASN 227 CO 0.44 -0.71 1.57 0.15 -2.79 0.00 0.00 177.10 175.76 1xin h PHE 228 N 8.77 -0.61 -0.58 0.43 3.57 -1.90 -1.31 116.94 125.31 1xin h PHE 228 Ca -0.26 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.34 1xin h PHE 228 Cb 1.10 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.93 1xin h PHE 228 CO 0.71 -0.35 -0.15 1.15 -2.23 0.00 0.00 178.31 177.45 1xin h THR 229 N -0.72 0.41 -0.94 4.41 2.02 -1.93 0.08 112.91 116.24 1xin h THR 229 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1xin h THR 229 Cb 0.53 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1xin h THR 229 CO 0.11 0.00 0.57 1.56 0.37 0.00 0.00 175.52 178.13 1xin h GLN 230 N -0.01 1.27 -0.77 6.66 4.20 -1.96 -1.46 115.11 123.05 1xin h GLN 230 Ca 0.28 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 1xin h GLN 230 Cb 0.43 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1xin h GLN 230 CO -0.60 0.89 0.27 0.78 -0.67 0.00 0.00 178.83 179.49 1xin h GLY 231 N 1.30 1.26 1.15 3.46 0.00 0.19 -2.22 103.07 108.21 1xin h GLY 231 Ca 0.34 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1xin h GLY 231 CO -0.06 0.68 -0.14 -2.22 0.00 0.00 0.00 176.54 174.79 1xin h ILE 232 N 1.14 1.27 -0.69 2.60 1.08 -1.07 -1.40 117.51 120.42 1xin h ILE 232 Ca 0.25 -1.29 0.01 0.00 -0.39 0.00 0.00 64.86 63.44 1xin h ILE 232 Cb 0.27 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.01 1xin h ILE 232 CO -0.01 0.45 0.45 0.00 -0.69 0.00 0.00 178.15 178.35 1xin h ALA 233 N 0.96 0.88 -0.27 1.87 0.00 -1.03 0.36 119.26 122.04 1xin h ALA 233 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xin h ALA 233 Cb 0.70 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xin h ALA 233 CO 0.05 0.28 -0.03 0.37 0.00 0.00 0.00 179.25 179.92 1xin h GLN 234 N 0.92 0.49 -0.74 0.00 4.15 -1.14 -0.43 115.11 118.35 1xin h GLN 234 Ca 0.26 -0.17 0.05 0.00 0.77 0.00 0.00 58.65 59.55 1xin h GLN 234 Cb -0.08 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 1xin h GLN 234 CO -0.07 0.68 0.45 0.00 -1.93 0.00 0.00 178.83 177.97 1xin h ALA 235 N 0.79 0.99 -0.47 3.38 0.00 -0.32 -1.52 119.26 122.12 1xin h ALA 235 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xin h ALA 235 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xin h ALA 235 CO 0.02 0.20 0.14 -0.07 0.00 0.00 0.00 179.25 179.53 1xin h LEU 236 N 0.86 0.69 -1.35 0.00 3.38 -0.21 -0.24 115.31 118.44 1xin h LEU 236 Ca 0.31 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1xin h LEU 236 Cb 0.10 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1xin h LEU 236 CO -0.14 0.73 0.51 -0.25 0.09 0.00 0.00 178.44 179.37 1xin h TRP 237 N 0.62 0.78 0.00 1.13 7.01 -0.08 -0.59 115.95 124.82 1xin h TRP 237 Ca 0.15 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1xin h TRP 237 Cb 0.29 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1xin h TRP 237 CO 0.02 0.37 -0.17 0.45 -2.79 0.00 0.00 178.44 176.32 1xin h HIS 238 N 0.74 0.00 -3.21 2.65 3.86 -1.12 -3.48 115.15 114.58 1xin h HIS 238 Ca 0.36 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.33 1xin h HIS 238 Cb 0.41 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.94 1xin h HIS 238 CO -0.00 0.00 -0.37 1.63 0.86 0.00 0.00 177.93 180.05 1xin n LYS 239 N -2.72 -3.59 -0.14 2.45 5.02 -0.23 -4.92 118.16 114.04 1xin n LYS 239 Ca 0.04 0.51 0.05 0.00 -2.02 0.00 0.00 58.31 56.88 1xin n LYS 239 Cb 0.49 -4.54 0.11 0.00 -0.02 0.00 0.00 35.03 31.08 1xin n LYS 239 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xin n LYS 240 N -2.84 2.73 -2.63 1.97 4.76 -0.35 -4.88 118.16 116.92 1xin n LYS 240 Ca -0.04 -2.03 -0.42 0.00 -2.87 0.00 0.00 58.31 52.96 1xin n LYS 240 Cb 0.56 -1.28 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 1xin n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xin s LEU 241 N -1.48 3.84 0.27 -0.35 2.96 -1.23 -1.10 118.68 121.59 1xin s LEU 241 Ca 0.18 -1.78 0.19 0.00 -0.22 0.00 0.00 54.13 52.51 1xin s LEU 241 Cb 0.13 -2.54 0.09 0.00 0.50 0.00 0.00 46.19 44.36 1xin s LEU 241 CO 0.08 -1.35 1.28 -0.26 -1.32 0.00 0.00 176.35 174.77 1xin h PHE 242 N 9.15 0.00 -2.73 5.38 -1.00 -1.80 -3.48 116.94 122.45 1xin h PHE 242 Ca 0.24 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.13 1xin h PHE 242 Cb 0.98 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.49 1xin h PHE 242 CO 1.28 0.25 0.34 -1.58 -1.61 0.00 0.00 178.31 177.00 1xin s HIS 243 N -3.12 -0.13 -0.18 -0.55 2.46 -1.20 -4.90 115.29 107.67 1xin s HIS 243 Ca 0.02 -0.29 -0.15 0.00 0.47 0.00 0.00 55.06 55.11 1xin s HIS 243 Cb 0.08 0.70 0.05 0.00 -0.13 0.00 0.00 32.58 33.27 1xin s HIS 243 CO 0.75 -1.10 0.47 -1.50 -2.47 0.00 0.00 174.74 170.88 1xin s ILE 244 N -3.47 -0.00 -0.25 0.89 2.07 -1.26 -4.07 121.20 115.10 1xin s ILE 244 Ca 0.12 0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1xin s ILE 244 Cb -0.04 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 1xin s ILE 244 CO 0.06 0.01 0.06 -1.81 -1.91 0.00 0.00 174.94 171.35 1xin s ASP 245 N 0.51 5.07 -0.14 4.50 1.01 -0.73 -3.48 116.67 123.41 1xin s ASP 245 Ca -0.02 -0.28 -0.07 0.00 0.71 0.00 0.00 52.55 52.89 1xin s ASP 245 Cb -0.04 -1.91 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 1xin s ASP 245 CO -0.03 -0.05 0.11 -0.76 0.21 0.00 0.00 175.17 174.65 1xin s LEU 246 N 1.59 4.16 0.00 1.23 1.43 0.75 -2.04 118.68 125.80 1xin s LEU 246 Ca 0.06 0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 53.38 1xin s LEU 246 Cb -0.15 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1xin s LEU 246 CO 0.03 0.32 0.47 -0.46 0.23 0.00 0.00 176.35 176.94 1xin n ASN 247 N 2.57 -0.65 -4.25 2.29 0.23 -1.26 -2.30 115.26 111.89 1xin n ASN 247 Ca -0.18 -1.28 -0.20 0.00 -0.53 0.00 0.00 54.58 52.39 1xin n ASN 247 Cb 0.54 1.04 -0.11 0.00 -2.08 0.00 0.00 39.78 39.16 1xin n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xin s GLY 248 N -2.77 1.11 0.02 4.83 0.00 -0.24 -4.30 107.32 105.96 1xin s GLY 248 Ca 0.11 -1.26 -0.23 0.00 0.00 0.00 0.00 44.72 43.34 1xin s GLY 248 CO 0.01 -1.30 0.51 1.62 0.00 0.00 0.00 173.10 173.95 1xin s GLN 249 N -2.39 0.98 -0.89 2.90 2.00 -1.26 -1.69 119.66 119.30 1xin s GLN 249 Ca 0.07 -0.13 -0.00 0.00 -2.00 0.00 0.00 55.36 53.30 1xin s GLN 249 Cb -0.07 0.45 0.27 0.00 0.80 0.00 0.00 33.01 34.46 1xin s GLN 249 CO 0.04 -0.33 1.07 0.72 -0.50 0.00 0.00 175.29 176.29 1xin n HIS 250 N 0.64 3.26 -4.78 1.67 8.25 -1.26 -3.46 115.22 119.54 1xin n HIS 250 Ca -0.19 -3.50 0.00 0.00 -0.26 0.00 0.00 57.72 53.77 1xin n HIS 250 Cb 0.59 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.69 1xin n HIS 250 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xin n GLY 251 N 1.40 0.42 3.55 -1.41 0.00 -1.26 -4.61 105.19 103.29 1xin n GLY 251 Ca 0.26 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 1xin n GLY 251 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xin s PRO 252 N 0.00 2.75 0.19 1.61 0.04 -1.23 -4.26 135.00 134.11 1xin s PRO 252 Ca 0.00 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.16 1xin s PRO 252 Cb 0.00 -4.49 0.05 0.00 0.04 0.00 0.00 34.50 30.09 1xin s PRO 252 CO 0.00 -2.71 0.63 0.36 0.04 0.00 0.00 177.00 175.32 1xin n LYS 253 N 9.16 0.59 -0.74 4.56 2.85 -1.26 -5.08 118.16 128.24 1xin n LYS 253 Ca 0.21 -1.24 -0.32 0.00 -1.05 0.00 0.00 58.31 55.91 1xin n LYS 253 Cb 0.51 1.61 0.14 0.00 -0.65 0.00 0.00 35.03 36.64 1xin n LYS 253 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1xin n PHE 254 N -0.44 -0.80 -2.05 5.58 -1.74 -1.26 -4.86 117.46 111.89 1xin n PHE 254 Ca -0.04 0.26 -0.42 0.00 -0.56 0.00 0.00 57.45 56.69 1xin n PHE 254 Cb 0.40 -1.83 -0.03 0.00 1.52 0.00 0.00 39.48 39.55 1xin n PHE 254 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1xin s ASP 255 N -2.19 5.86 -0.01 5.98 2.15 -1.26 -4.90 116.67 122.29 1xin s ASP 255 Ca 0.60 1.11 -0.08 0.00 0.43 0.00 0.00 52.55 54.61 1xin s ASP 255 Cb -0.21 -2.53 -0.30 0.00 -0.30 0.00 0.00 42.92 39.58 1xin s ASP 255 CO 0.65 -1.77 0.80 1.56 -0.17 0.00 0.00 175.17 176.24 1xin h GLN 256 N 12.90 0.36 -5.91 4.34 4.20 -1.89 -3.49 115.11 125.62 1xin h GLN 256 Ca -0.32 -0.61 -0.39 0.00 0.06 0.00 0.00 58.65 57.39 1xin h GLN 256 Cb 1.16 0.23 0.10 0.00 0.30 0.00 0.00 27.48 29.27 1xin h GLN 256 CO 1.06 1.25 -0.77 -0.25 -0.67 0.00 0.00 178.83 179.46 1xin n ASP 257 N -3.55 -3.11 -4.46 1.46 8.00 -1.22 -4.75 116.55 108.92 1xin n ASP 257 Ca -0.20 -0.68 -0.29 0.00 0.71 0.00 0.00 54.79 54.33 1xin n ASP 257 Cb 1.07 -4.63 0.16 0.00 -0.02 0.00 0.00 41.12 37.69 1xin n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xin s LEU 258 N -6.78 2.10 0.61 0.64 1.43 -0.68 -0.09 118.68 115.90 1xin s LEU 258 Ca 0.22 0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 53.80 1xin s LEU 258 Cb -0.10 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1xin s LEU 258 CO 0.77 -2.74 1.28 -0.69 0.23 0.00 0.00 176.35 175.19 1xin s VAL 259 N -3.47 2.24 0.03 -1.59 1.01 -1.26 -1.08 120.40 116.28 1xin s VAL 259 Ca 0.68 0.15 -0.33 0.00 0.00 0.00 0.00 61.98 62.48 1xin s VAL 259 Cb -0.10 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.10 1xin s VAL 259 CO 0.53 -0.03 1.81 0.33 0.00 0.00 0.00 175.10 177.74 1xin n PHE 260 N -1.64 2.41 -0.25 5.22 7.35 -1.26 -1.48 117.46 127.80 1xin n PHE 260 Ca 0.14 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 1xin n PHE 260 Cb 0.48 -2.67 0.00 0.00 0.35 0.00 0.00 39.48 37.64 1xin n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xin n GLY 261 N 4.15 0.87 0.50 7.13 0.00 -1.26 -4.78 105.19 111.80 1xin n GLY 261 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1xin n GLY 261 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xin n HIS 262 N -2.00 0.06 0.00 1.61 8.25 -0.55 -4.34 115.22 118.25 1xin n HIS 262 Ca 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1xin n HIS 262 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1xin n HIS 262 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xin n GLY 263 N 1.16 0.42 3.40 -1.41 0.00 -1.26 -4.85 105.19 102.65 1xin n GLY 263 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1xin n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xin s ASP 264 N -0.06 6.32 0.21 1.61 -1.08 -1.22 -4.88 116.67 117.56 1xin s ASP 264 Ca 0.00 -1.56 -0.06 0.00 -0.52 0.00 0.00 52.55 50.42 1xin s ASP 264 Cb 0.00 -2.34 0.17 0.00 -1.46 0.00 0.00 42.92 39.29 1xin s ASP 264 CO 0.00 -1.14 1.65 0.25 0.52 0.00 0.00 175.17 176.46 1xin h LEU 265 N 10.20 0.88 -0.73 -1.34 5.85 -1.92 -2.08 115.31 126.17 1xin h LEU 265 Ca -0.17 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 1xin h LEU 265 Cb 1.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1xin h LEU 265 CO 1.09 1.01 0.22 -0.07 -0.34 0.00 0.00 178.44 180.35 1xin h LEU 266 N 0.80 1.07 -0.77 2.25 3.38 -1.93 -2.16 115.31 117.95 1xin h LEU 266 Ca 0.13 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1xin h LEU 266 Cb 0.63 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xin h LEU 266 CO 0.04 1.00 -0.50 -1.13 0.09 0.00 0.00 178.44 177.95 1xin h ASN 267 N 1.09 0.32 -0.53 -0.43 -0.73 -1.97 -2.35 115.58 110.98 1xin h ASN 267 Ca 0.24 -0.16 -0.06 0.00 1.87 0.00 0.00 56.30 58.19 1xin h ASN 267 Cb 0.32 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 1xin h ASN 267 CO -0.01 0.77 0.11 0.00 -0.37 0.00 0.00 177.43 177.93 1xin h ALA 268 N 1.24 1.12 0.23 1.57 0.00 -1.01 -1.35 119.26 121.06 1xin h ALA 268 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xin h ALA 268 Cb 0.96 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xin h ALA 268 CO 0.08 0.58 -0.11 0.35 0.00 0.00 0.00 179.25 180.16 1xin h PHE 269 N 0.86 -0.28 -0.18 0.00 3.57 -1.17 -2.34 116.94 117.40 1xin h PHE 269 Ca 0.18 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1xin h PHE 269 Cb 0.35 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1xin h PHE 269 CO 0.02 0.05 0.09 0.66 -2.23 0.00 0.00 178.31 176.90 1xin h SER 270 N -0.64 0.21 0.15 0.41 4.64 -1.36 -2.22 113.55 114.73 1xin h SER 270 Ca -0.03 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1xin h SER 270 Cb 0.46 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xin h SER 270 CO 0.05 0.18 -0.07 0.25 -0.87 0.00 0.00 176.83 176.37 1xin h LEU 271 N 0.24 -0.17 -0.96 5.97 5.85 -1.14 -1.30 115.31 123.79 1xin h LEU 271 Ca 0.06 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1xin h LEU 271 Cb 0.02 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1xin h LEU 271 CO -0.01 0.14 0.64 0.58 -0.34 0.00 0.00 178.44 179.45 1xin h VAL 272 N -0.50 1.25 -0.33 1.05 2.07 -1.25 -0.30 116.25 118.25 1xin h VAL 272 Ca -0.02 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1xin h VAL 272 Cb 0.39 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1xin h VAL 272 CO 0.03 0.24 0.11 -0.78 0.02 0.00 0.00 177.57 177.19 1xin h ASP 273 N 1.30 0.12 0.41 0.57 3.58 -1.36 -0.40 116.42 120.63 1xin h ASP 273 Ca 0.35 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.82 1xin h ASP 273 Cb -0.15 0.02 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1xin h ASP 273 CO -0.08 0.10 -0.20 0.25 -2.88 0.00 0.00 179.24 176.44 1xin h LEU 274 N 0.25 -0.46 -0.93 2.28 5.85 -0.37 0.22 115.31 122.15 1xin h LEU 274 Ca 0.15 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1xin h LEU 274 Cb 0.12 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1xin h LEU 274 CO -0.15 -0.32 0.10 -0.07 -0.34 0.00 0.00 178.44 177.66 1xin h LEU 275 N -0.56 0.84 0.08 2.25 3.38 -0.89 -3.36 115.31 117.05 1xin h LEU 275 Ca -0.06 -0.17 -0.35 0.00 0.09 0.00 0.00 57.88 57.39 1xin h LEU 275 Cb 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1xin h LEU 275 CO 0.09 0.84 -2.04 -0.62 0.09 0.00 0.00 178.44 176.81 1xin n GLU 276 N -4.25 0.72 -2.75 1.13 -0.58 -0.18 0.43 120.64 115.16 1xin n GLU 276 Ca 0.04 0.24 -0.43 0.00 -0.42 0.00 0.00 57.16 56.59 1xin n GLU 276 Cb 0.26 -1.69 0.01 0.00 -0.57 0.00 0.00 31.44 29.45 1xin n GLU 276 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xin n ASN 277 N -3.32 5.99 -4.17 1.62 3.02 0.06 -3.38 115.26 115.07 1xin n ASN 277 Ca -0.31 -3.31 -0.26 0.00 -0.03 0.00 0.00 54.58 50.67 1xin n ASN 277 Cb 1.05 -1.34 0.16 0.00 -0.61 0.00 0.00 39.78 39.03 1xin n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xin n GLY 278 N 1.81 -0.42 3.68 7.41 0.00 0.07 -4.80 105.19 112.94 1xin n GLY 278 Ca 0.31 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1xin n GLY 278 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xin n PRO 279 N -3.27 2.68 -2.86 1.61 -0.04 -1.23 -2.61 135.00 129.28 1xin n PRO 279 Ca 0.16 0.98 -0.10 0.00 -0.04 0.00 0.00 63.50 64.50 1xin n PRO 279 Cb 0.57 -2.87 0.05 0.00 -0.04 0.00 0.00 33.50 31.20 1xin n PRO 279 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xin n ASP 280 N 6.20 -2.66 0.00 3.54 5.68 -1.26 -3.86 116.55 124.20 1xin n ASP 280 Ca 0.19 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1xin n ASP 280 Cb 0.36 -2.99 0.00 0.00 -1.14 0.00 0.00 41.12 37.35 1xin n ASP 280 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xin n GLY 281 N -1.14 1.38 3.75 6.12 0.00 -1.07 -4.97 105.19 109.26 1xin n GLY 281 Ca -0.11 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1xin n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xin s ALA 282 N -0.05 2.68 0.73 4.61 0.00 -1.25 -4.29 121.76 124.18 1xin s ALA 282 Ca 0.00 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 1xin s ALA 282 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1xin s ALA 282 CO 0.00 -1.31 1.08 -2.30 0.00 0.00 0.00 175.76 173.23 1xin n PRO 283 N -1.29 0.55 0.12 0.00 -0.02 -1.22 -0.75 135.00 132.40 1xin n PRO 283 Ca 0.12 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1xin n PRO 283 Cb 0.47 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.72 1xin n PRO 283 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xin h ALA 284 N -0.24 0.65 -3.94 3.55 0.00 -0.21 -3.42 119.26 115.65 1xin h ALA 284 Ca -0.48 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 1xin h ALA 284 Cb 1.33 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.81 1xin h ALA 284 CO 0.48 0.00 -0.83 -0.47 0.00 0.00 0.00 179.25 178.43 1xin s TYR 285 N -3.27 1.59 -0.86 0.00 5.04 -1.11 -5.05 117.35 113.69 1xin s TYR 285 Ca 0.03 -0.43 0.11 0.00 -2.44 0.00 0.00 57.07 54.35 1xin s TYR 285 Cb 0.10 -1.07 -0.04 0.00 0.35 0.00 0.00 41.96 41.29 1xin s TYR 285 CO 0.74 -0.14 0.61 -0.25 -1.34 0.00 0.00 175.55 175.16 1xin n ASP 286 N 3.11 1.03 -2.09 4.32 8.00 -1.26 -4.92 116.55 124.73 1xin n ASP 286 Ca -0.18 -1.01 -0.01 0.00 0.71 0.00 0.00 54.79 54.30 1xin n ASP 286 Cb 0.53 0.66 0.01 0.00 -0.02 0.00 0.00 41.12 42.29 1xin n ASP 286 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xin n GLY 287 N 1.06 0.00 3.75 0.44 0.00 -1.26 -5.03 105.19 104.15 1xin n GLY 287 Ca 0.04 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1xin n GLY 287 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xin s PRO 288 N -2.74 3.27 -0.91 1.61 0.02 -1.26 -4.94 135.00 130.05 1xin s PRO 288 Ca 0.03 2.12 -0.08 0.00 0.02 0.00 0.00 61.00 63.09 1xin s PRO 288 Cb -0.00 -2.28 0.23 0.00 0.02 0.00 0.00 34.50 32.47 1xin s PRO 288 CO 0.02 -1.05 0.84 1.03 -0.33 0.00 0.00 177.00 177.51 1xin s ARG 289 N -2.87 3.59 -0.18 5.54 3.00 0.34 -4.18 118.95 124.19 1xin s ARG 289 Ca 0.70 -2.90 -0.17 0.00 0.00 0.00 0.00 55.73 53.36 1xin s ARG 289 Cb -0.38 -4.27 -0.04 0.00 0.00 0.00 0.00 34.95 30.26 1xin s ARG 289 CO 0.44 -1.25 0.44 -1.58 0.00 0.00 0.00 175.30 173.35 1xin s HIS 290 N -0.67 3.40 -0.33 -0.53 2.46 -1.23 -1.50 115.29 116.90 1xin s HIS 290 Ca 0.24 0.71 -0.15 0.00 0.47 0.00 0.00 55.06 56.33 1xin s HIS 290 Cb -0.11 -2.56 -0.02 0.00 -0.13 0.00 0.00 32.58 29.76 1xin s HIS 290 CO -0.09 0.01 0.34 -0.06 -2.47 0.00 0.00 174.74 172.48 1xin s PHE 291 N 1.22 3.21 -0.63 3.88 0.08 -0.40 -0.18 117.98 125.16 1xin s PHE 291 Ca 0.22 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.28 1xin s PHE 291 Cb -0.15 -2.63 0.16 0.00 -0.57 0.00 0.00 43.02 39.83 1xin s PHE 291 CO 0.09 -0.40 0.42 0.34 -0.10 0.00 0.00 175.22 175.57 1xin s ASP 292 N 1.73 4.85 0.35 1.36 2.15 -0.97 -3.53 116.67 122.61 1xin s ASP 292 Ca 0.11 -3.27 0.07 0.00 0.43 0.00 0.00 52.55 49.89 1xin s ASP 292 Cb -0.17 -1.72 -0.03 0.00 -0.30 0.00 0.00 42.92 40.71 1xin s ASP 292 CO 0.11 -0.22 0.26 0.00 -0.17 0.00 0.00 175.17 175.15 1xin n TYR 293 N 2.82 -0.61 -4.05 -5.34 4.11 -1.26 -4.58 117.16 108.25 1xin n TYR 293 Ca 0.11 -2.79 -0.17 0.00 -0.00 0.00 0.00 57.90 55.05 1xin n TYR 293 Cb 0.35 0.23 -0.16 0.00 -0.00 0.00 0.00 39.34 39.76 1xin n TYR 293 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1xin s LYS 294 N -3.41 0.46 0.14 -3.48 1.02 0.87 -4.45 119.74 110.90 1xin s LYS 294 Ca 0.36 -0.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.00 1xin s LYS 294 Cb 0.02 -0.53 -0.08 0.00 -0.52 0.00 0.00 37.83 36.71 1xin s LYS 294 CO 0.26 -0.05 1.37 -2.14 -0.92 0.00 0.00 175.35 173.87 1xin s PRO 295 N 0.64 4.33 0.52 -1.68 0.02 -1.26 -4.64 135.00 132.92 1xin s PRO 295 Ca -0.07 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 1xin s PRO 295 Cb -0.10 -3.22 -0.08 0.00 0.02 0.00 0.00 34.50 31.11 1xin s PRO 295 CO -0.01 -0.39 0.83 0.43 -0.33 0.00 0.00 177.00 177.53 1xin n SER 296 N 3.51 0.32 0.25 2.53 7.64 -1.26 -4.87 113.62 121.74 1xin n SER 296 Ca 0.10 0.87 0.17 0.00 1.01 0.00 0.00 58.87 61.02 1xin n SER 296 Cb 0.42 -1.30 0.90 0.00 -1.01 0.00 0.00 64.21 63.23 1xin n SER 296 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1xin h ARG 297 N 0.78 0.00 0.00 1.43 2.43 -1.92 -0.44 114.38 116.67 1xin h ARG 297 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1xin h ARG 297 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1xin h ARG 297 CO 0.52 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 179.23 1xin n THR 298 N -3.61 0.03 -4.03 0.20 -2.24 -1.26 -4.82 114.28 98.56 1xin n THR 298 Ca -0.00 0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1xin n THR 298 Cb 0.25 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1xin n THR 298 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xin s GLU 299 N -2.49 3.24 0.44 -0.78 0.41 -0.18 -5.10 118.70 114.24 1xin s GLU 299 Ca 0.30 -0.87 0.05 0.00 -0.41 0.00 0.00 54.97 54.05 1xin s GLU 299 Cb 0.20 -2.76 0.05 0.00 -1.78 0.00 0.00 34.13 29.84 1xin s GLU 299 CO 0.43 0.42 0.45 -0.40 -0.49 0.00 0.00 175.26 175.68 1xin n ASP 300 N -1.29 2.07 0.05 -0.19 5.68 -1.26 -4.83 116.55 116.78 1xin n ASP 300 Ca -0.09 -2.36 0.13 0.00 -0.50 0.00 0.00 54.79 51.98 1xin n ASP 300 Cb 0.57 -0.16 0.61 0.00 -1.14 0.00 0.00 41.12 41.00 1xin n ASP 300 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1xin h TYR 301 N 0.40 0.16 0.10 2.11 0.05 -1.98 0.32 116.97 118.12 1xin h TYR 301 Ca -0.25 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.53 1xin h TYR 301 Cb 0.99 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1xin h TYR 301 CO 0.00 0.08 -0.05 -0.44 -1.05 0.00 0.00 178.16 176.70 1xin h ASP 302 N 0.15 -0.11 -0.87 3.88 3.32 -2.00 -1.34 116.42 119.45 1xin h ASP 302 Ca 0.18 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.28 1xin h ASP 302 Cb 0.52 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 1xin h ASP 302 CO -0.03 -0.07 0.57 1.23 -1.72 0.00 0.00 179.24 179.22 1xin h GLY 303 N -0.14 1.24 0.97 2.75 0.00 -1.17 -2.23 103.07 104.48 1xin h GLY 303 Ca -0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1xin h GLY 303 CO 0.02 0.33 -0.24 -2.08 0.00 0.00 0.00 176.54 174.58 1xin h VAL 304 N 1.04 0.51 -0.28 4.60 2.07 0.25 -1.04 116.25 123.40 1xin h VAL 304 Ca 0.36 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.83 1xin h VAL 304 Cb 0.10 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1xin h VAL 304 CO -0.12 0.00 -0.01 -0.50 0.02 0.00 0.00 177.57 176.96 1xin h TRP 305 N -0.64 0.44 -0.12 1.57 4.06 -0.98 -2.01 115.95 118.26 1xin h TRP 305 Ca -0.06 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 1xin h TRP 305 Cb 0.50 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1xin h TRP 305 CO -0.06 0.45 0.08 1.49 -3.56 0.00 0.00 178.44 176.83 1xin h GLU 306 N 0.41 0.16 -0.05 0.49 4.57 -1.24 -1.33 114.58 117.59 1xin h GLU 306 Ca 0.09 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1xin h GLU 306 Cb 0.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1xin h GLU 306 CO 0.01 0.14 -0.29 0.66 -1.18 0.00 0.00 179.01 178.35 1xin h SER 307 N 0.14 0.08 0.03 1.04 4.64 -0.76 0.26 113.55 118.97 1xin h SER 307 Ca 0.04 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xin h SER 307 Cb 0.02 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xin h SER 307 CO -0.01 0.37 -0.01 0.00 -0.87 0.00 0.00 176.83 176.31 1xin h ALA 308 N 1.64 -0.04 -0.46 5.18 0.00 -0.85 -2.78 119.26 121.95 1xin h ALA 308 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1xin h ALA 308 Cb 0.55 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xin h ALA 308 CO 0.04 -0.33 0.10 0.87 0.00 0.00 0.00 179.25 179.93 1xin h LYS 309 N -0.41 0.70 -0.93 0.00 1.57 -0.88 -2.77 116.57 113.84 1xin h LYS 309 Ca -0.00 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1xin h LYS 309 Cb 0.39 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1xin h LYS 309 CO 0.01 0.65 0.60 0.00 -0.57 0.00 0.00 179.45 180.13 1xin h ALA 310 N 1.43 1.54 -0.09 3.86 0.00 -0.24 -1.48 119.26 124.29 1xin h ALA 310 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xin h ALA 310 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xin h ALA 310 CO -0.00 0.29 0.00 -0.91 0.00 0.00 0.00 179.25 178.63 1xin h ASN 311 N 1.00 -0.03 -0.60 0.00 2.35 -1.29 0.11 115.58 117.13 1xin h ASN 311 Ca 0.42 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 56.19 1xin h ASN 311 Cb 0.31 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1xin h ASN 311 CO -0.18 0.00 0.39 0.40 -1.65 0.00 0.00 177.43 176.40 1xin h ILE 312 N 0.03 1.15 0.08 2.81 2.04 -1.45 -2.37 117.51 119.81 1xin h ILE 312 Ca 0.04 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1xin h ILE 312 Cb 0.04 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1xin h ILE 312 CO -0.07 0.15 -0.13 -0.09 0.00 0.00 0.00 178.15 178.01 1xin h ARG 313 N 0.80 -0.26 -0.20 2.37 9.65 -1.06 0.21 114.38 125.89 1xin h ARG 313 Ca 0.22 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.16 1xin h ARG 313 Cb -0.09 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 1xin h ARG 313 CO -0.05 -0.17 -0.03 0.52 2.80 0.00 0.00 179.97 183.04 1xin h MET 314 N -0.27 0.03 -0.29 0.20 2.86 -0.69 0.37 114.93 117.14 1xin h MET 314 Ca 0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1xin h MET 314 Cb 0.28 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1xin h MET 314 CO -0.07 0.02 0.18 -0.92 1.06 0.00 0.00 176.91 177.18 1xin h TYR 315 N 0.03 0.37 -0.32 -0.22 5.03 -1.22 -1.29 116.97 119.35 1xin h TYR 315 Ca 0.10 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.29 1xin h TYR 315 Cb 0.14 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1xin h TYR 315 CO -0.20 0.25 -0.31 -0.07 -1.32 0.00 0.00 178.16 176.51 1xin h LEU 316 N 0.38 0.72 -0.40 2.82 3.38 -0.73 -1.30 115.31 120.19 1xin h LEU 316 Ca 0.11 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1xin h LEU 316 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1xin h LEU 316 CO -0.02 0.98 -0.03 -0.07 0.09 0.00 0.00 178.44 179.39 1xin h LEU 317 N 0.59 0.71 -0.30 1.67 3.38 -0.78 -2.57 115.31 118.00 1xin h LEU 317 Ca 0.07 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1xin h LEU 317 Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1xin h LEU 317 CO 0.07 0.87 0.15 -0.07 0.09 0.00 0.00 178.44 179.54 1xin h LEU 318 N 0.54 0.39 -0.37 1.67 3.38 -1.19 -2.54 115.31 117.19 1xin h LEU 318 Ca 0.11 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1xin h LEU 318 Cb 0.52 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1xin h LEU 318 CO 0.03 0.40 -0.01 0.50 0.09 0.00 0.00 178.44 179.44 1xin h LYS 319 N 0.35 0.08 -0.65 1.13 3.64 -1.15 0.10 116.57 120.07 1xin h LYS 319 Ca 0.10 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 1xin h LYS 319 Cb 0.11 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1xin h LYS 319 CO -0.01 0.05 0.28 1.49 -2.27 0.00 0.00 179.45 178.99 1xin h GLU 320 N 0.09 0.46 0.00 1.90 4.81 -1.38 0.12 114.58 120.58 1xin h GLU 320 Ca 0.18 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 1xin h GLU 320 Cb 0.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1xin h GLU 320 CO -0.32 0.30 -0.83 0.00 -0.73 0.00 0.00 179.01 177.44 1xin h ARG 321 N 0.47 0.03 -0.42 1.92 3.08 -0.94 -2.35 114.38 116.17 1xin h ARG 321 Ca 0.33 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.24 1xin h ARG 321 Cb 0.40 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1xin h ARG 321 CO -0.30 0.84 -0.16 0.00 -1.07 0.00 0.00 179.97 179.27 1xin h ALA 322 N 1.15 0.59 -0.17 0.04 0.00 -0.22 -0.49 119.26 120.16 1xin h ALA 322 Ca -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xin h ALA 322 Cb 1.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1xin h ALA 322 CO 0.11 0.53 0.09 -0.22 0.00 0.00 0.00 179.25 179.76 1xin h LYS 323 N 0.68 0.23 -0.71 0.00 1.63 -0.75 -2.72 116.57 114.94 1xin h LYS 323 Ca 0.10 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1xin h LYS 323 Cb 0.72 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1xin h LYS 323 CO 0.05 0.24 0.21 0.00 -3.45 0.00 0.00 179.45 176.50 1xin h ALA 324 N 0.99 1.04 0.21 5.00 0.00 -1.31 -2.05 119.26 123.14 1xin h ALA 324 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xin h ALA 324 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1xin h ALA 324 CO -0.01 0.65 -0.30 0.35 0.00 0.00 0.00 179.25 179.94 1xin h PHE 325 N 1.05 -0.81 -0.28 0.00 3.57 -0.90 -2.53 116.94 117.04 1xin h PHE 325 Ca 0.23 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1xin h PHE 325 Cb 0.31 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1xin h PHE 325 CO 0.02 -0.42 -0.08 0.00 -2.23 0.00 0.00 178.31 175.61 1xin h ARG 326 N -0.58 0.46 0.00 1.11 2.47 -1.44 -3.05 114.38 113.35 1xin h ARG 326 Ca 0.01 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1xin h ARG 326 Cb 0.56 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1xin h ARG 326 CO -0.12 0.55 0.00 0.00 0.56 0.00 0.00 179.97 180.96 1xin h ALA 327 N 1.49 1.00 -2.06 0.04 0.00 -1.18 -3.44 119.26 115.11 1xin h ALA 327 Ca 0.09 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.43 1xin h ALA 327 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1xin h ALA 327 CO 0.02 0.00 1.03 0.34 0.00 0.00 0.00 179.25 180.64 1xin s ASP 328 N -5.81 6.61 0.51 0.00 -1.08 -0.97 -4.91 116.67 111.01 1xin s ASP 328 Ca 0.05 1.59 0.20 0.00 -0.52 0.00 0.00 52.55 53.87 1xin s ASP 328 Cb 0.07 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.29 1xin s ASP 328 CO 0.61 -1.07 2.04 1.55 0.52 0.00 0.00 175.17 178.82 1xin h PRO 329 N 9.68 0.07 -0.32 4.34 0.13 -1.89 0.14 132.00 144.15 1xin h PRO 329 Ca -0.31 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1xin h PRO 329 Cb 1.13 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1xin h PRO 329 CO 1.00 0.05 -0.34 0.93 -0.23 0.00 0.00 178.00 179.40 1xin h GLU 330 N 0.07 0.73 -0.24 0.86 5.08 -1.95 0.55 114.58 119.68 1xin h GLU 330 Ca 0.18 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1xin h GLU 330 Cb 0.61 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1xin h GLU 330 CO -0.01 0.96 -0.15 0.28 -1.00 0.00 0.00 179.01 179.09 1xin h VAL 331 N 0.61 1.31 -0.86 3.13 2.07 -1.15 -1.40 116.25 119.95 1xin h VAL 331 Ca 0.06 -1.26 0.12 0.00 0.82 0.00 0.00 66.70 66.44 1xin h VAL 331 Cb 0.87 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 1xin h VAL 331 CO 0.08 0.39 0.49 1.56 0.02 0.00 0.00 177.57 180.10 1xin h GLN 332 N 0.24 0.74 -0.32 1.57 1.08 -0.66 0.65 115.11 118.41 1xin h GLN 332 Ca 0.05 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 1xin h GLN 332 Cb 0.67 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1xin h GLN 332 CO 0.04 0.49 -0.37 1.49 -0.95 0.00 0.00 178.83 179.53 1xin h GLU 333 N 0.76 0.81 -0.32 1.46 4.81 -0.68 -2.42 114.58 119.01 1xin h GLU 333 Ca 0.44 -0.45 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1xin h GLU 333 Cb 0.50 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1xin h GLU 333 CO -0.29 1.08 -0.34 0.00 -0.73 0.00 0.00 179.01 178.73 1xin h ALA 334 N 0.71 0.81 -0.96 2.92 0.00 -0.08 -1.83 119.26 120.83 1xin h ALA 334 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xin h ALA 334 Cb 0.96 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1xin h ALA 334 CO 0.09 0.65 0.61 -0.07 0.00 0.00 0.00 179.25 180.52 1xin h LEU 335 N 0.59 1.13 0.00 0.00 3.38 0.36 -1.20 115.31 119.57 1xin h LEU 335 Ca 0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xin h LEU 335 Cb 0.86 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xin h LEU 335 CO 0.07 0.84 -0.00 0.00 0.09 0.00 0.00 178.44 179.44 1xin h ALA 336 N 1.36 -0.00 -0.49 1.53 0.00 -1.15 -2.32 119.26 118.18 1xin h ALA 336 Ca 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xin h ALA 336 Cb -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xin h ALA 336 CO -0.07 -0.39 0.33 0.00 0.00 0.00 0.00 179.25 179.11 1xin h ALA 337 N 0.77 1.66 -0.00 0.00 0.00 -1.01 -1.40 119.26 119.27 1xin h ALA 337 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xin h ALA 337 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xin h ALA 337 CO 0.00 0.32 -0.04 0.43 0.00 0.00 0.00 179.25 179.96 1xin n SER 338 N -4.46 0.47 -2.39 0.00 7.64 -0.48 -4.81 113.62 109.58 1xin n SER 338 Ca 0.04 -0.86 -0.20 0.00 1.01 0.00 0.00 58.87 58.87 1xin n SER 338 Cb 0.06 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1xin n SER 338 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xin n LYS 339 N -0.78 -1.75 -0.24 1.43 5.02 -0.53 -4.90 118.16 116.40 1xin n LYS 339 Ca 0.18 0.96 -0.01 0.00 -2.02 0.00 0.00 58.31 57.42 1xin n LYS 339 Cb 0.23 -5.62 0.10 0.00 -0.02 0.00 0.00 35.03 29.73 1xin n LYS 339 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xin h VAL 340 N 0.00 0.99 0.00 -0.18 2.07 -1.75 -1.87 116.25 115.51 1xin h VAL 340 Ca -0.47 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1xin h VAL 340 Cb 1.35 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xin h VAL 340 CO 0.56 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.28 1xin h ALA 341 N 1.35 1.00 0.00 1.67 0.00 -1.91 -3.13 119.26 118.24 1xin h ALA 341 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xin h ALA 341 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xin h ALA 341 CO -0.17 0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.57 1xin h GLU 342 N 0.00 0.00 0.00 0.00 4.81 -1.71 -1.49 114.58 116.18 1xin h GLU 342 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xin h GLU 342 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xin h GLU 342 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 179.01 179.53 1xin h LEU 343 N 0.00 0.00 -0.23 1.64 5.85 -1.62 -2.75 115.31 118.20 1xin h LEU 343 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xin h LEU 343 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1xin h LEU 343 CO 0.00 0.00 0.00 0.11 -0.34 0.00 0.00 178.44 178.21 1xin h LYS 344 N 0.00 0.00 -6.18 1.25 1.57 -1.50 -3.44 116.57 108.27 1xin h LYS 344 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1xin h LYS 344 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1xin h LYS 344 CO 0.00 0.00 0.23 0.99 -0.57 0.00 0.00 179.45 180.10 1xin s THR 345 N -3.23 4.96 0.50 -0.16 2.01 -1.04 -5.01 115.64 113.67 1xin s THR 345 Ca 0.07 1.72 -0.21 0.00 0.31 0.00 0.00 61.69 63.58 1xin s THR 345 Cb 0.09 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.35 1xin s THR 345 CO 0.60 0.19 0.96 -2.65 -0.69 0.00 0.00 174.62 173.03 1xin n PRO 346 N 3.96 1.13 -0.03 4.92 -0.02 -1.26 -4.88 135.00 138.81 1xin n PRO 346 Ca 0.02 0.42 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 1xin n PRO 346 Cb 0.51 -2.07 0.12 0.00 -0.02 0.00 0.00 33.50 32.04 1xin n PRO 346 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xin h THR 347 N 1.04 1.28 -3.00 3.45 2.02 -1.95 -3.43 112.91 112.32 1xin h THR 347 Ca -0.46 -1.41 -0.61 0.00 0.77 0.00 0.00 66.41 64.70 1xin h THR 347 Cb 1.35 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1xin h THR 347 CO 0.54 0.45 -0.31 -0.76 0.37 0.00 0.00 175.52 175.82 1xin s LEU 348 N -8.70 4.37 0.86 2.58 1.43 -1.26 -5.10 118.68 112.86 1xin s LEU 348 Ca -0.08 0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 1xin s LEU 348 Cb 0.13 -2.78 0.11 0.00 0.03 0.00 0.00 46.19 43.67 1xin s LEU 348 CO 0.82 0.23 1.09 0.20 0.23 0.00 0.00 176.35 178.92 1xin s ASN 349 N -1.64 3.86 0.07 2.29 0.01 -1.26 -4.92 114.94 113.35 1xin s ASN 349 Ca 0.29 1.43 -0.31 0.00 -0.71 0.00 0.00 52.86 53.56 1xin s ASN 349 Cb -0.14 -2.13 -0.09 0.00 0.41 0.00 0.00 41.25 39.31 1xin s ASN 349 CO 0.16 -2.39 1.74 -2.84 -1.51 0.00 0.00 177.10 172.27 1xin s PRO 350 N -5.01 4.17 0.00 -0.60 0.02 -1.26 -1.48 135.00 130.83 1xin s PRO 350 Ca 0.62 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.07 1xin s PRO 350 Cb -0.17 -3.71 0.00 0.00 0.02 0.00 0.00 34.50 30.65 1xin s PRO 350 CO 0.56 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1xin n GLY 351 N 4.15 0.49 3.73 0.52 0.00 -1.26 -5.01 105.19 107.80 1xin n GLY 351 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1xin n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xin s GLU 352 N -0.43 4.64 0.00 1.61 2.12 -0.55 -5.05 118.70 121.03 1xin s GLU 352 Ca 0.00 1.56 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1xin s GLU 352 Cb 0.00 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1xin s GLU 352 CO 0.00 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 1xin n GLY 353 N 2.29 5.33 0.20 -1.50 0.00 -1.26 -4.79 105.19 105.45 1xin n GLY 353 Ca 0.03 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.99 1xin n GLY 353 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1xin h TYR 354 N 0.62 0.40 -0.62 1.61 -0.00 -1.98 -2.05 116.97 114.96 1xin h TYR 354 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.74 1xin h TYR 354 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 36.73 36.59 1xin h TYR 354 CO 0.00 0.18 0.36 0.00 -0.00 0.00 0.00 178.16 178.70 1xin h ALA 355 N 1.28 0.79 -0.37 0.10 0.00 -1.98 0.41 119.26 119.49 1xin h ALA 355 Ca 0.22 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1xin h ALA 355 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xin h ALA 355 CO -0.17 0.28 -0.41 0.93 0.00 0.00 0.00 179.25 179.88 1xin h GLU 356 N 0.83 0.93 -0.53 0.00 3.07 -1.94 -2.06 114.58 114.89 1xin h GLU 356 Ca 0.22 -0.51 -0.05 0.00 -0.50 0.00 0.00 59.36 58.52 1xin h GLU 356 Cb 0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1xin h GLU 356 CO -0.04 1.16 0.13 1.25 -1.40 0.00 0.00 179.01 180.11 1xin h LEU 357 N 0.74 0.80 -1.77 1.33 5.85 -0.98 -2.08 115.31 119.21 1xin h LEU 357 Ca 0.05 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1xin h LEU 357 Cb 1.01 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1xin h LEU 357 CO 0.10 0.83 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.81 1xin h LEU 358 N 0.74 0.00 0.00 2.25 3.38 -0.11 -2.35 115.31 119.22 1xin h LEU 358 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xin h LEU 358 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xin h LEU 358 CO 0.00 0.15 -0.34 0.00 0.09 0.00 0.00 178.44 178.34 1xin n ALA 359 N -2.45 3.00 -2.73 1.53 0.00 -0.78 -4.75 120.51 114.33 1xin n ALA 359 Ca -0.02 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 1xin n ALA 359 Cb 0.22 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 1xin n ALA 359 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xin s ASP 360 N -3.29 6.26 0.45 0.00 2.15 -0.82 -4.90 116.67 116.51 1xin s ASP 360 Ca 0.11 -0.62 0.17 0.00 0.43 0.00 0.00 52.55 52.64 1xin s ASP 360 Cb 0.17 -2.43 1.06 0.00 -0.30 0.00 0.00 42.92 41.42 1xin s ASP 360 CO 0.65 -1.31 1.98 0.03 -0.17 0.00 0.00 175.17 176.34 1xin h ARG 361 N 9.42 0.00 0.00 4.34 3.08 -1.85 -2.24 114.38 127.13 1xin h ARG 361 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xin h ARG 361 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1xin h ARG 361 CO 1.12 0.20 0.00 0.66 -1.07 0.00 0.00 179.97 180.89 1xin h SER 362 N 0.00 0.00 0.18 7.04 4.64 -1.90 0.46 113.55 123.97 1xin h SER 362 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xin h SER 362 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xin h SER 362 CO 0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.84 1xin n ALA 363 N -1.95 2.86 -0.49 5.18 0.00 -0.84 -4.15 120.51 121.11 1xin n ALA 363 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1xin n ALA 363 Cb 0.31 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1xin n ALA 363 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xin n PHE 364 N -0.49 -1.24 -0.19 0.00 7.35 -0.98 -4.90 117.46 117.00 1xin n PHE 364 Ca 0.15 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.83 1xin n PHE 364 Cb 0.33 0.25 0.06 0.00 0.35 0.00 0.00 39.48 40.47 1xin n PHE 364 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1xin h GLU 365 N 0.00 0.03 -0.58 -4.13 3.07 -1.73 -1.97 114.58 109.27 1xin h GLU 365 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xin h GLU 365 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1xin h GLU 365 CO 0.00 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 1xin n ASP 366 N -5.36 4.33 -4.73 1.42 8.00 0.16 -4.99 116.55 115.37 1xin n ASP 366 Ca 0.07 -2.39 -0.41 0.00 0.71 0.00 0.00 54.79 52.78 1xin n ASP 366 Cb 0.31 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 1xin n ASP 366 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1xin s TYR 367 N -1.72 3.74 -0.92 1.24 5.04 -0.74 -4.83 117.35 119.16 1xin s TYR 367 Ca 0.46 1.64 -0.11 0.00 -2.44 0.00 0.00 57.07 56.62 1xin s TYR 367 Cb 0.29 -2.98 0.24 0.00 0.35 0.00 0.00 41.96 39.86 1xin s TYR 367 CO 0.23 0.17 0.87 0.34 -1.34 0.00 0.00 175.55 175.82 1xin s ASP 368 N 0.28 6.87 0.23 4.32 2.15 -1.26 -4.86 116.67 124.40 1xin s ASP 368 Ca 0.45 -3.05 -0.05 0.00 0.43 0.00 0.00 52.55 50.33 1xin s ASP 368 Cb -0.22 -2.19 0.24 0.00 -0.30 0.00 0.00 42.92 40.46 1xin s ASP 368 CO 0.27 -0.45 1.77 0.00 -0.17 0.00 0.00 175.17 176.59 1xin h ALA 369 N 7.30 1.07 -0.50 3.66 0.00 -1.95 -2.30 119.26 126.54 1xin h ALA 369 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xin h ALA 369 Cb 0.97 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1xin h ALA 369 CO 0.84 0.62 0.20 -0.44 0.00 0.00 0.00 179.25 180.48 1xin h ASP 370 N 0.99 0.69 -0.32 0.00 3.32 -1.98 0.90 116.42 120.02 1xin h ASP 370 Ca 0.21 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1xin h ASP 370 Cb 0.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1xin h ASP 370 CO -0.00 0.67 -0.02 0.00 -1.72 0.00 0.00 179.24 178.16 1xin h ALA 371 N 1.05 0.43 -0.16 3.45 0.00 -1.93 -2.93 119.26 119.18 1xin h ALA 371 Ca 0.17 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1xin h ALA 371 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xin h ALA 371 CO -0.01 0.21 -0.53 0.28 0.00 0.00 0.00 179.25 179.20 1xin h VAL 372 N 0.37 1.33 0.00 0.00 2.07 -1.23 -3.02 116.25 115.77 1xin h VAL 372 Ca 0.09 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1xin h VAL 372 Cb 0.48 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1xin h VAL 372 CO 0.02 0.54 0.00 1.23 0.02 0.00 0.00 177.57 179.38 1xin h GLY 373 N 1.18 0.00 0.70 2.17 0.00 0.10 -2.85 103.07 104.37 1xin h GLY 373 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xin h GLY 373 CO 0.09 0.00 -0.85 0.00 0.00 0.00 0.00 176.54 175.78 1xin n ALA 374 N -1.97 3.51 -1.91 3.60 0.00 -1.12 -4.92 120.51 117.69 1xin n ALA 374 Ca -0.02 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1xin n ALA 374 Cb 0.09 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 1xin n ALA 374 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xin s LYS 375 N -3.13 4.73 0.52 0.00 1.02 -1.08 -5.04 119.74 116.76 1xin s LYS 375 Ca 0.06 1.59 -0.10 0.00 0.02 0.00 0.00 55.97 57.54 1xin s LYS 375 Cb 0.15 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1xin s LYS 375 CO 0.77 0.31 0.90 0.20 -0.92 0.00 0.00 175.35 176.61 1xin s GLY 376 N -0.68 1.74 0.00 -3.33 0.00 -1.26 -5.00 107.32 98.79 1xin s GLY 376 Ca 0.45 -0.19 0.22 0.00 0.00 0.00 0.00 44.72 45.20 1xin s GLY 376 CO 0.34 0.04 1.06 0.69 0.00 0.00 0.00 173.10 175.23 1xin n PHE 377 N -2.13 0.03 -1.74 1.90 3.01 -1.26 -4.98 117.46 112.28 1xin n PHE 377 Ca 0.04 0.01 -0.15 0.00 1.01 0.00 0.00 57.45 58.35 1xin n PHE 377 Cb 0.54 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.83 1xin n PHE 377 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xin n GLY 378 N 1.48 0.91 0.25 1.37 0.00 -1.26 -3.75 105.19 104.19 1xin n GLY 378 Ca 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1xin n GLY 378 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xin h PHE 379 N 0.00 0.65 -0.49 1.61 0.04 -1.95 -2.81 116.94 113.99 1xin h PHE 379 Ca -0.33 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.22 1xin h PHE 379 Cb 1.09 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1xin h PHE 379 CO 0.42 0.75 -0.06 0.28 -0.60 0.00 0.00 178.31 179.09 1xin h VAL 380 N 0.52 1.27 -0.12 -0.55 2.07 -1.99 -1.52 116.25 115.93 1xin h VAL 380 Ca 0.08 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1xin h VAL 380 Cb 0.63 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1xin h VAL 380 CO 0.04 0.41 0.05 0.50 0.02 0.00 0.00 177.57 178.60 1xin h LYS 381 N 0.77 0.19 -0.48 1.57 3.64 -1.97 0.07 116.57 120.35 1xin h LYS 381 Ca 0.13 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1xin h LYS 381 Cb 0.61 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1xin h LYS 381 CO 0.04 0.29 0.28 1.25 -2.27 0.00 0.00 179.45 179.04 1xin h LEU 382 N 0.04 0.45 -0.84 5.20 5.85 -1.43 -2.12 115.31 122.46 1xin h LEU 382 Ca 0.04 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1xin h LEU 382 Cb 0.17 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1xin h LEU 382 CO -0.00 0.32 0.55 -1.13 -0.34 0.00 0.00 178.44 177.84 1xin h ASN 383 N 0.56 0.97 -0.17 1.25 -1.24 -1.06 -1.92 115.58 113.97 1xin h ASN 383 Ca 0.20 -0.03 -0.10 0.00 0.71 0.00 0.00 56.30 57.07 1xin h ASN 383 Cb 0.03 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1xin h ASN 383 CO -0.10 0.71 -0.23 -0.61 -1.29 0.00 0.00 177.43 175.91 1xin h GLN 384 N 1.14 0.62 -0.51 6.67 5.75 -0.74 -2.15 115.11 125.89 1xin h GLN 384 Ca 0.31 -0.24 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1xin h GLN 384 Cb -0.12 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1xin h GLN 384 CO -0.07 0.80 0.12 -0.07 -2.65 0.00 0.00 178.83 176.97 1xin h LEU 385 N 0.55 0.77 -0.09 -2.39 3.38 -0.98 -1.41 115.31 115.14 1xin h LEU 385 Ca 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1xin h LEU 385 Cb 0.69 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xin h LEU 385 CO 0.05 0.80 0.06 0.00 0.09 0.00 0.00 178.44 179.44 1xin h ALA 386 N 1.00 0.11 -0.63 1.53 0.00 -1.15 -1.64 119.26 118.47 1xin h ALA 386 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xin h ALA 386 Cb 0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1xin h ALA 386 CO 0.00 -0.40 0.20 0.82 0.00 0.00 0.00 179.25 179.88 1xin h ILE 387 N 0.12 1.24 -0.15 0.00 2.04 -1.28 0.00 117.51 119.48 1xin h ILE 387 Ca 0.03 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 1xin h ILE 387 Cb -0.01 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1xin h ILE 387 CO -0.01 0.31 -0.25 -0.33 0.00 0.00 0.00 178.15 177.88 1xin h GLU 388 N 0.93 0.26 -0.12 2.37 5.08 -1.06 0.18 114.58 122.22 1xin h GLU 388 Ca 0.21 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1xin h GLU 388 Cb 0.26 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xin h GLU 388 CO -0.01 0.50 -0.05 0.45 -1.00 0.00 0.00 179.01 178.90 1xin h HIS 389 N 0.24 0.28 -0.93 4.33 3.86 -0.78 0.18 115.15 122.34 1xin h HIS 389 Ca 0.04 -0.07 0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1xin h HIS 389 Cb 0.57 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.90 1xin h HIS 389 CO 0.01 0.59 0.57 1.25 0.86 0.00 0.00 177.93 181.20 1xin h LEU 390 N -0.10 0.85 0.00 2.43 5.85 -0.42 -0.61 115.31 123.31 1xin h LEU 390 Ca 0.03 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1xin h LEU 390 Cb 0.51 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1xin h LEU 390 CO 0.02 0.49 0.00 0.18 -0.34 0.00 0.00 178.44 178.78 1xin n LEU 391 N -4.64 0.00 -1.53 2.25 4.77 0.59 -4.90 117.00 113.53 1xin n LEU 391 Ca 0.16 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1xin n LEU 391 Cb 0.28 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1xin n LEU 391 CO 0.28 -0.04 -0.06 0.61 -1.33 0.00 0.00 177.39 176.85 1xin n GLY 392 N 0.92 -0.01 0.57 -0.72 0.00 -0.24 -4.91 105.19 100.79 1xin n GLY 392 Ca 0.13 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1xin n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xin n ALA 393 N -2.23 2.92 -0.56 4.61 0.00 0.60 -5.04 120.51 120.82 1xin n ALA 393 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1xin n ALA 393 Cb 0.58 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1xin n ALA 393 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04