#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xin s GLN 4 N 0.00 1.57 0.33 7.34 1.03 -1.26 -4.98 119.66 123.69 2xin s GLN 4 Ca 0.00 -1.26 -0.26 0.00 0.04 0.00 0.00 55.36 53.88 2xin s GLN 4 Cb 0.00 -1.96 -0.09 0.00 0.03 0.00 0.00 33.01 30.99 2xin s GLN 4 CO 0.00 0.47 1.01 0.00 -2.54 0.00 0.00 175.29 174.23 2xin s ALA 5 N -1.01 3.21 0.33 2.60 0.00 -1.26 -5.08 121.76 120.54 2xin s ALA 5 Ca 0.14 0.67 0.10 0.00 0.00 0.00 0.00 51.96 52.86 2xin s ALA 5 Cb -0.10 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 2xin s ALA 5 CO 0.06 -0.02 -0.08 0.95 0.00 0.00 0.00 175.76 176.66 2xin s THR 6 N -1.51 2.42 0.39 0.00 -4.23 -1.26 -4.92 115.64 106.53 2xin s THR 6 Ca 0.51 -2.16 0.28 0.00 -1.18 0.00 0.00 61.69 59.13 2xin s THR 6 Cb -0.23 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.27 2xin s THR 6 CO 0.29 -0.24 2.06 0.03 -0.54 0.00 0.00 174.62 176.22 2xin h ARG 7 N 2.00 0.00 0.00 3.99 2.47 -1.95 -1.72 114.38 119.17 2xin h ARG 7 Ca -0.42 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.28 2xin h ARG 7 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2xin h ARG 7 CO 0.67 0.12 -0.11 1.49 0.56 0.00 0.00 179.97 182.70 2xin h GLU 8 N 0.00 0.00 0.00 0.04 4.81 -1.96 -2.52 114.58 114.95 2xin h GLU 8 Ca -0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2xin h GLU 8 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2xin h GLU 8 CO 0.02 0.11 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.53 2xin h ASP 9 N 0.00 0.00 -5.80 1.04 3.32 -1.71 -3.48 116.42 109.80 2xin h ASP 9 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 2xin h ASP 9 Cb 0.57 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.25 2xin h ASP 9 CO 0.01 0.44 -0.84 0.29 -1.72 0.00 0.00 179.24 177.42 2xin n LYS 10 N -3.70 -3.82 -3.18 3.56 5.02 -0.95 -4.62 118.16 110.48 2xin n LYS 10 Ca -0.01 0.73 -0.39 0.00 -2.02 0.00 0.00 58.31 56.62 2xin n LYS 10 Cb 0.51 -5.39 -0.05 0.00 -0.02 0.00 0.00 35.03 30.08 2xin n LYS 10 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2xin s PHE 11 N -3.47 3.65 0.18 2.13 0.08 -1.26 -0.76 117.98 118.53 2xin s PHE 11 Ca 0.23 1.19 0.02 0.00 0.12 0.00 0.00 56.93 58.50 2xin s PHE 11 Cb -0.05 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.71 2xin s PHE 11 CO 0.78 0.29 -0.02 -1.54 -0.10 0.00 0.00 175.22 174.63 2xin s SER 12 N 0.05 1.41 0.02 1.36 1.04 -0.72 -0.55 113.70 116.32 2xin s SER 12 Ca 0.32 -1.15 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 2xin s SER 12 Cb -0.18 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 2xin s SER 12 CO 0.17 -0.52 0.02 -0.36 0.98 0.00 0.00 173.24 173.53 2xin s PHE 13 N -3.56 0.23 0.22 5.02 0.40 -1.16 -1.47 117.98 117.65 2xin s PHE 13 Ca 0.23 -0.48 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 2xin s PHE 13 Cb 0.05 -0.17 -0.08 0.00 0.51 0.00 0.00 43.02 43.34 2xin s PHE 13 CO 0.04 -0.25 0.63 0.20 0.70 0.00 0.00 175.22 176.54 2xin s GLY 14 N -1.64 2.42 0.44 4.36 0.00 -1.25 -1.92 107.32 109.74 2xin s GLY 14 Ca -0.13 -0.06 0.14 0.00 0.00 0.00 0.00 44.72 44.67 2xin s GLY 14 CO -0.02 0.18 1.99 -2.00 0.00 0.00 0.00 173.10 173.25 2xin h LEU 15 N 3.00 0.35 0.00 0.66 5.85 -1.24 -1.29 115.31 122.65 2xin h LEU 15 Ca -0.48 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2xin h LEU 15 Cb 1.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2xin h LEU 15 CO 0.66 0.21 0.00 -2.67 -0.34 0.00 0.00 178.44 176.30 2xin n TRP 16 N -4.47 0.00 0.00 1.25 2.14 -1.26 -2.22 117.44 112.88 2xin n TRP 16 Ca 0.09 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.66 2xin n TRP 16 Cb 0.37 -0.32 0.00 0.00 -0.81 0.00 0.00 31.31 30.55 2xin n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2xin n THR 17 N -1.32 0.00 0.27 -1.67 -2.24 -0.48 -3.01 114.28 105.83 2xin n THR 17 Ca 0.11 0.44 0.11 0.00 -2.27 0.00 0.00 64.05 62.45 2xin n THR 17 Cb 0.21 -1.34 0.74 0.00 -2.10 0.00 0.00 70.33 67.85 2xin n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2xin h VAL 18 N 0.00 0.74 -0.08 2.28 -1.51 -1.70 -1.44 116.25 114.54 2xin h VAL 18 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 2xin h VAL 18 Cb 0.00 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2xin h VAL 18 CO 0.00 0.06 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 2xin n GLY 19 N -1.15 -0.20 3.66 5.19 0.00 -0.94 -4.87 105.19 106.89 2xin n GLY 19 Ca -0.03 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2xin n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2xin s TRP 20 N -1.91 2.19 -1.73 1.61 -0.00 -0.54 -4.63 118.94 113.94 2xin s TRP 20 Ca 0.34 0.37 0.26 0.00 -0.00 0.00 0.00 56.10 57.08 2xin s TRP 20 Cb 0.18 -3.83 1.45 0.00 -0.00 0.00 0.00 33.47 31.26 2xin s TRP 20 CO 0.28 -3.40 1.90 1.04 -0.00 0.00 0.00 176.95 176.77 2xin n GLN 21 N 6.89 0.61 -2.78 5.86 6.02 -1.26 -4.89 117.38 127.83 2xin n GLN 21 Ca 0.16 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 57.05 2xin n GLN 21 Cb 0.43 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.22 2xin n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2xin n ALA 22 N -1.13 -0.58 -2.59 -1.58 0.00 -1.26 -1.23 120.51 112.13 2xin n ALA 22 Ca 0.16 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 2xin n ALA 22 Cb 0.14 -2.61 -0.05 0.00 0.00 0.00 0.00 19.45 16.94 2xin n ALA 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2xin s ARG 23 N -5.30 3.77 0.00 0.00 3.52 -1.26 -3.92 118.95 115.76 2xin s ARG 23 Ca 0.21 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 2xin s ARG 23 Cb -0.09 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 2xin s ARG 23 CO 0.25 -0.88 0.00 -0.40 -0.81 0.00 0.00 175.30 173.46 2xin n ASP 24 N 6.53 0.77 0.23 -2.12 5.68 -0.79 -4.90 116.55 121.95 2xin n ASP 24 Ca 0.04 -0.80 0.16 0.00 -0.50 0.00 0.00 54.79 53.69 2xin n ASP 24 Cb 0.48 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.12 2xin n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2xin h ALA 25 N 0.51 1.00 -0.01 2.12 0.00 -2.00 -3.26 119.26 117.62 2xin h ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2xin h ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2xin h ALA 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2xin n PHE 26 N -2.77 0.01 -3.63 0.00 3.01 -1.26 -5.09 117.46 107.73 2xin n PHE 26 Ca 0.01 -0.15 -0.09 0.00 1.01 0.00 0.00 57.45 58.23 2xin n PHE 26 Cb 0.25 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 2xin n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2xin s GLY 27 N -0.36 -0.36 0.87 1.37 0.00 -1.23 -5.16 107.32 102.44 2xin s GLY 27 Ca 0.01 0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 2xin s GLY 27 CO 0.01 0.06 1.10 0.99 0.00 0.00 0.00 173.10 175.26 2xin s ASP 28 N -2.82 3.81 0.32 1.64 1.01 -1.26 -1.88 116.67 117.49 2xin s ASP 28 Ca 0.06 1.34 -0.29 0.00 0.71 0.00 0.00 52.55 54.37 2xin s ASP 28 Cb -0.03 -2.03 -0.10 0.00 1.01 0.00 0.00 42.92 41.77 2xin s ASP 28 CO -0.03 -2.41 1.34 0.00 0.21 0.00 0.00 175.17 174.28 2xin s ALA 29 N -3.06 3.53 -1.81 5.23 0.00 -1.26 -4.40 121.76 119.99 2xin s ALA 29 Ca 0.63 1.30 0.18 0.00 0.00 0.00 0.00 51.96 54.06 2xin s ALA 29 Cb -0.16 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.49 2xin s ALA 29 CO 0.56 -0.69 0.96 0.25 0.00 0.00 0.00 175.76 176.83 2xin n THR 30 N 1.09 0.00 -4.16 0.00 -2.24 -0.37 -4.90 114.28 103.70 2xin n THR 30 Ca 0.01 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2xin n THR 30 Cb 0.41 1.26 -0.11 0.00 -2.10 0.00 0.00 70.33 69.79 2xin n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2xin s ARG 31 N -1.89 0.79 0.76 -0.78 0.52 -0.97 -4.98 118.95 112.40 2xin s ARG 31 Ca 0.17 -1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 2xin s ARG 31 Cb 0.15 -0.56 0.06 0.00 0.52 0.00 0.00 34.95 35.11 2xin s ARG 31 CO 0.38 0.10 1.12 0.95 0.02 0.00 0.00 175.30 177.87 2xin s THR 32 N -2.01 2.43 0.50 0.02 -4.23 -1.26 -4.73 115.64 106.36 2xin s THR 32 Ca 0.01 0.04 -0.23 0.00 -1.18 0.00 0.00 61.69 60.34 2xin s THR 32 Cb -0.06 -3.12 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 2xin s THR 32 CO 0.01 -0.15 1.32 0.00 -0.54 0.00 0.00 174.62 175.26 2xin s ALA 33 N -3.44 2.94 -0.20 3.99 0.00 -1.26 -4.85 121.76 118.93 2xin s ALA 33 Ca 0.60 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.73 2xin s ALA 33 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2xin s ALA 33 CO 0.48 -1.15 0.10 -1.17 0.00 0.00 0.00 175.76 174.03 2xin s LEU 34 N -3.23 3.97 0.12 0.00 2.96 -1.26 -5.08 118.68 116.16 2xin s LEU 34 Ca 0.67 0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 2xin s LEU 34 Cb -0.38 -2.03 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 2xin s LEU 34 CO 0.46 0.14 1.02 -0.62 -1.32 0.00 0.00 176.35 176.02 2xin s ASP 35 N 0.59 7.40 0.34 3.68 2.15 -1.26 -4.95 116.67 124.62 2xin s ASP 35 Ca 0.06 1.88 0.05 0.00 0.43 0.00 0.00 52.55 54.97 2xin s ASP 35 Cb -0.12 -2.59 0.68 0.00 -0.30 0.00 0.00 42.92 40.58 2xin s ASP 35 CO 0.01 -0.14 1.92 -0.65 -0.17 0.00 0.00 175.17 176.13 2xin h PRO 36 N 5.58 0.82 -0.39 4.34 0.11 -1.96 -0.02 132.00 140.48 2xin h PRO 36 Ca -0.43 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 2xin h PRO 36 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2xin h PRO 36 CO 0.73 0.54 -0.30 0.28 -0.21 0.00 0.00 178.00 179.04 2xin h VAL 37 N 0.85 1.28 0.29 3.15 2.07 -1.93 -1.07 116.25 120.88 2xin h VAL 37 Ca 0.38 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2xin h VAL 37 Cb 0.35 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2xin h VAL 37 CO -0.15 0.49 -0.14 -0.08 0.02 0.00 0.00 177.57 177.71 2xin h GLU 38 N 0.70 -0.37 -0.59 1.57 4.81 -1.79 -1.68 114.58 117.24 2xin h GLU 38 Ca 0.07 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2xin h GLU 38 Cb 0.88 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.27 2xin h GLU 38 CO 0.08 -0.24 0.20 0.00 -0.73 0.00 0.00 179.01 178.32 2xin h ALA 39 N 0.32 0.74 -0.57 2.92 0.00 -0.85 0.33 119.26 122.15 2xin h ALA 39 Ca -0.04 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2xin h ALA 39 Cb 0.30 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2xin h ALA 39 CO 0.06 -0.23 0.37 0.28 0.00 0.00 0.00 179.25 179.74 2xin h VAL 40 N 0.36 1.13 -0.19 0.00 2.07 -0.98 0.11 116.25 118.74 2xin h VAL 40 Ca 0.30 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2xin h VAL 40 Cb 0.38 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2xin h VAL 40 CO -0.32 0.14 0.04 0.45 0.02 0.00 0.00 177.57 177.90 2xin h HIS 41 N 0.76 0.33 -0.65 1.57 -0.00 -0.33 -1.09 115.15 115.74 2xin h HIS 41 Ca 0.21 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.46 2xin h HIS 41 Cb -0.07 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 2xin h HIS 41 CO -0.04 0.45 0.10 0.87 -0.00 0.00 0.00 177.93 179.31 2xin h LYS 42 N 0.12 1.08 -0.37 2.45 1.79 -0.13 -2.44 116.57 119.07 2xin h LYS 42 Ca 0.06 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 58.15 2xin h LYS 42 Cb 0.29 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2xin h LYS 42 CO 0.00 1.00 -0.09 -0.07 -1.08 0.00 0.00 179.45 179.22 2xin h LEU 43 N 1.00 0.72 -1.04 2.94 3.38 -0.78 -2.60 115.31 118.94 2xin h LEU 43 Ca 0.20 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2xin h LEU 43 Cb 0.45 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2xin h LEU 43 CO 0.01 0.91 0.64 0.00 0.09 0.00 0.00 178.44 180.10 2xin h ALA 44 N 0.83 1.40 -0.48 1.53 0.00 -1.08 -2.47 119.26 118.99 2xin h ALA 44 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2xin h ALA 44 Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2xin h ALA 44 CO 0.04 0.47 0.06 1.49 0.00 0.00 0.00 179.25 181.31 2xin h GLU 45 N 1.19 0.76 -0.00 0.00 4.81 -1.15 -2.92 114.58 117.26 2xin h GLU 45 Ca 0.41 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2xin h GLU 45 Cb 0.11 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2xin h GLU 45 CO -0.15 0.73 -0.13 0.44 -0.73 0.00 0.00 179.01 179.17 2xin n ILE 46 N -4.26 0.00 0.00 2.32 -5.35 -0.96 -4.93 119.36 106.18 2xin n ILE 46 Ca 0.03 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2xin n ILE 46 Cb 0.25 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 2xin n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2xin n GLY 47 N 1.31 0.97 3.77 3.28 0.00 -1.10 -4.84 105.19 108.59 2xin n GLY 47 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2xin n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xin s ALA 48 N -2.00 3.04 -0.28 4.61 0.00 -0.99 -4.63 121.76 121.51 2xin s ALA 48 Ca 0.00 1.07 0.19 0.00 0.00 0.00 0.00 51.96 53.23 2xin s ALA 48 Cb 0.00 -3.44 -0.27 0.00 0.00 0.00 0.00 23.12 19.41 2xin s ALA 48 CO 0.00 -0.80 0.54 2.48 0.00 0.00 0.00 175.76 177.98 2xin n TYR 49 N -0.35 0.00 -3.74 0.00 4.11 0.29 -4.56 117.16 112.92 2xin n TYR 49 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.87 2xin n TYR 49 Cb 0.46 -0.32 -0.04 0.00 -0.00 0.00 0.00 39.34 39.45 2xin n TYR 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2xin s GLY 50 N -3.82 -0.08 0.07 -7.48 0.00 -1.19 -2.04 107.32 92.77 2xin s GLY 50 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.52 2xin s GLY 50 CO 0.80 -0.29 -0.16 -1.50 0.00 0.00 0.00 173.10 171.95 2xin s ILE 51 N -3.87 1.25 0.21 0.90 2.07 -0.30 -2.98 121.20 118.47 2xin s ILE 51 Ca 0.09 -1.29 0.04 0.00 -1.41 0.00 0.00 60.65 58.09 2xin s ILE 51 Cb -0.00 -1.17 -0.05 0.00 0.13 0.00 0.00 42.46 41.37 2xin s ILE 51 CO -0.04 -0.13 -0.04 0.28 -1.91 0.00 0.00 174.94 173.10 2xin s THR 52 N -1.15 1.14 0.07 4.00 -1.32 -0.81 -4.20 115.64 113.38 2xin s THR 52 Ca 0.01 -2.06 -0.26 0.00 -1.21 0.00 0.00 61.69 58.17 2xin s THR 52 Cb -0.10 -2.18 0.09 0.00 -1.51 0.00 0.00 72.50 68.80 2xin s THR 52 CO 0.02 -0.47 0.76 0.72 -2.21 0.00 0.00 174.62 173.45 2xin s PHE 53 N -3.35 -0.43 0.34 9.09 -0.71 -1.26 -0.58 117.98 121.08 2xin s PHE 53 Ca 0.25 0.25 -0.06 0.00 -1.04 0.00 0.00 56.93 56.33 2xin s PHE 53 Cb 0.04 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.35 2xin s PHE 53 CO 0.06 -0.69 0.63 -1.01 -1.34 0.00 0.00 175.22 172.87 2xin s HIS 54 N -3.41 3.48 0.14 3.49 3.76 -1.26 -2.21 115.29 119.28 2xin s HIS 54 Ca 0.03 0.74 -0.28 0.00 -0.15 0.00 0.00 55.06 55.40 2xin s HIS 54 Cb -0.01 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 2xin s HIS 54 CO -0.10 0.06 1.58 0.38 -0.85 0.00 0.00 174.74 175.81 2xin h ASP 55 N 1.41 -1.35 0.10 1.40 2.03 -1.85 -1.71 116.42 116.44 2xin h ASP 55 Ca -0.48 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2xin h ASP 55 Cb 1.19 0.57 0.00 0.00 -0.83 0.00 0.00 39.33 40.26 2xin h ASP 55 CO 0.65 -0.40 0.00 0.44 -1.03 0.00 0.00 179.24 178.90 2xin h ASP 56 N -0.43 0.00 0.14 4.15 3.32 -1.91 -1.68 116.42 120.02 2xin h ASP 56 Ca 0.10 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.91 2xin h ASP 56 Cb 0.61 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.17 2xin h ASP 56 CO -0.46 0.00 -0.96 0.44 -1.72 0.00 0.00 179.24 176.54 2xin h ASP 57 N 0.00 0.74 0.00 6.45 3.32 -1.69 -3.39 116.42 121.85 2xin h ASP 57 Ca 0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 57.03 56.44 2xin h ASP 57 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2xin h ASP 57 CO 0.00 1.37 -0.27 0.25 -1.72 0.00 0.00 179.24 178.88 2xin h LEU 58 N 0.34 0.00 -8.25 1.55 5.85 -1.37 -3.45 115.31 109.97 2xin h LEU 58 Ca -0.10 -0.46 -0.67 0.00 0.84 0.00 0.00 57.88 57.49 2xin h LEU 58 Cb 1.60 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 42.33 2xin h LEU 58 CO 0.18 0.88 -0.72 -0.69 -0.34 0.00 0.00 178.44 177.75 2xin s VAL 59 N -2.03 3.18 0.29 1.05 1.01 -0.70 -5.01 120.40 118.19 2xin s VAL 59 Ca -0.14 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 2xin s VAL 59 Cb 0.00 -2.58 -0.14 0.00 0.00 0.00 0.00 36.38 33.67 2xin s VAL 59 CO 0.39 0.24 1.15 -2.65 0.00 0.00 0.00 175.10 174.23 2xin n PRO 60 N 4.74 1.63 -1.63 2.72 -0.02 -1.26 -3.97 135.00 137.21 2xin n PRO 60 Ca -0.17 0.58 -0.48 0.00 -2.02 0.00 0.00 63.50 61.41 2xin n PRO 60 Cb 0.48 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 2xin n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2xin n PHE 61 N 0.60 1.85 -1.11 6.00 -0.00 -1.26 -1.78 117.46 121.75 2xin n PHE 61 Ca 0.09 0.49 -0.04 0.00 -0.00 0.00 0.00 57.45 57.99 2xin n PHE 61 Cb 0.32 -2.41 -0.02 0.00 -0.00 0.00 0.00 39.48 37.37 2xin n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2xin n GLY 62 N 2.57 0.68 3.77 7.13 0.00 -1.26 -5.03 105.19 113.04 2xin n GLY 62 Ca 0.16 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2xin n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xin s SER 63 N -2.91 6.74 0.84 1.61 0.01 -0.74 -5.01 113.70 114.25 2xin s SER 63 Ca 0.00 2.46 -0.12 0.00 1.31 0.00 0.00 55.95 59.60 2xin s SER 63 Cb 0.00 -2.63 0.10 0.00 0.21 0.00 0.00 66.02 63.70 2xin s SER 63 CO 0.00 -0.54 1.11 1.51 0.41 0.00 0.00 173.24 175.73 2xin s ASP 64 N -0.85 4.08 0.30 2.44 1.47 -1.26 -4.71 116.67 118.14 2xin s ASP 64 Ca 0.52 1.24 -0.00 0.00 1.18 0.00 0.00 52.55 55.49 2xin s ASP 64 Cb -0.34 -1.92 0.51 0.00 -0.34 0.00 0.00 42.92 40.82 2xin s ASP 64 CO 0.44 -2.22 1.93 0.00 0.68 0.00 0.00 175.17 176.00 2xin h ALA 65 N -1.27 1.49 0.24 2.11 0.00 -1.97 0.33 119.26 120.19 2xin h ALA 65 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2xin h ALA 65 Cb 1.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2xin h ALA 65 CO 0.59 0.41 -0.11 -0.56 0.00 0.00 0.00 179.25 179.58 2xin h GLN 66 N 1.05 -0.31 0.20 0.00 -0.00 -1.98 0.35 115.11 114.42 2xin h GLN 66 Ca 0.36 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 2xin h GLN 66 Cb 0.09 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.63 2xin h GLN 66 CO -0.12 -0.12 -0.17 1.15 -0.00 0.00 0.00 178.83 179.57 2xin h THR 67 N -0.44 0.63 -0.78 1.86 2.02 -1.79 -0.89 112.91 113.52 2xin h THR 67 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 2xin h THR 67 Cb 0.33 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 2xin h THR 67 CO 0.05 0.00 0.40 -0.09 0.37 0.00 0.00 175.52 176.25 2xin h ARG 68 N -0.39 0.61 -0.66 6.66 2.43 -0.23 -1.96 114.38 120.85 2xin h ARG 68 Ca -0.01 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2xin h ARG 68 Cb 0.35 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2xin h ARG 68 CO -0.02 0.40 0.11 -0.44 -1.51 0.00 0.00 179.97 178.51 2xin h ASP 69 N 0.63 1.04 -0.57 -3.80 3.32 0.12 -2.57 116.42 114.58 2xin h ASP 69 Ca 0.40 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2xin h ASP 69 Cb 0.49 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2xin h ASP 69 CO -0.31 1.03 0.20 1.23 -1.72 0.00 0.00 179.24 179.67 2xin h GLY 70 N 1.00 0.94 0.99 2.75 0.00 -0.43 -2.59 103.07 105.73 2xin h GLY 70 Ca 0.20 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2xin h GLY 70 CO 0.01 0.50 0.33 -2.22 0.00 0.00 0.00 176.54 175.16 2xin h ILE 71 N 0.79 1.18 -0.51 2.60 2.04 -1.30 -1.96 117.51 120.35 2xin h ILE 71 Ca 0.19 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2xin h ILE 71 Cb 0.25 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2xin h ILE 71 CO -0.01 0.18 0.23 0.40 0.00 0.00 0.00 178.15 178.95 2xin h ILE 72 N 0.76 1.20 -0.51 -0.67 2.04 -1.36 -0.13 117.51 118.84 2xin h ILE 72 Ca 0.20 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2xin h ILE 72 Cb 0.01 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2xin h ILE 72 CO -0.04 0.23 0.34 0.00 0.00 0.00 0.00 178.15 178.68 2xin h ALA 73 N 1.07 0.65 -0.54 1.87 0.00 -1.28 0.30 119.26 121.33 2xin h ALA 73 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2xin h ALA 73 Cb 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2xin h ALA 73 CO -0.02 0.10 0.27 0.78 0.00 0.00 0.00 179.25 180.39 2xin h GLY 74 N 0.70 0.83 1.01 0.00 0.00 -1.14 -2.16 103.07 102.31 2xin h GLY 74 Ca 0.19 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2xin h GLY 74 CO -0.04 0.38 -0.29 -2.75 0.00 0.00 0.00 176.54 173.83 2xin h PHE 75 N 0.73 -0.76 -0.64 5.60 3.57 -0.63 -1.57 116.94 123.24 2xin h PHE 75 Ca 0.19 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.75 2xin h PHE 75 Cb 0.09 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2xin h PHE 75 CO -0.01 -0.48 0.42 0.87 -2.23 0.00 0.00 178.31 176.89 2xin h LYS 76 N -0.82 0.52 -0.56 1.11 1.57 -0.35 -1.66 116.57 116.37 2xin h LYS 76 Ca -0.08 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 2xin h LYS 76 Cb 0.63 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2xin h LYS 76 CO 0.14 0.34 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.06 2xin h LYS 77 N 0.53 1.05 -0.45 3.15 3.64 -1.03 -1.26 116.57 122.21 2xin h LYS 77 Ca 0.29 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2xin h LYS 77 Cb 0.43 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2xin h LYS 77 CO -0.09 1.08 0.19 0.00 -2.27 0.00 0.00 179.45 178.36 2xin h ALA 78 N 0.95 0.58 -0.22 5.00 0.00 -0.42 0.47 119.26 125.62 2xin h ALA 78 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2xin h ALA 78 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2xin h ALA 78 CO 0.05 0.17 0.02 -0.07 0.00 0.00 0.00 179.25 179.42 2xin h LEU 79 N 0.58 -0.04 -0.04 0.00 3.38 -1.19 0.24 115.31 118.24 2xin h LEU 79 Ca 0.15 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2xin h LEU 79 Cb 0.17 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2xin h LEU 79 CO -0.01 0.01 -0.29 -0.78 0.09 0.00 0.00 178.44 177.45 2xin h ASP 80 N 0.10 -0.88 -0.59 -0.43 1.82 -0.93 0.58 116.42 116.09 2xin h ASP 80 Ca 0.10 0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.81 2xin h ASP 80 Cb 0.12 0.36 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 2xin h ASP 80 CO -0.16 -0.35 0.16 -0.33 -1.61 0.00 0.00 179.24 176.95 2xin h GLU 81 N -0.42 0.93 0.00 0.28 5.08 -0.68 -3.23 114.58 116.54 2xin h GLU 81 Ca 0.07 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2xin h GLU 81 Cb 0.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2xin h GLU 81 CO -0.28 0.85 -0.80 1.79 -1.00 0.00 0.00 179.01 179.58 2xin h THR 82 N 0.84 0.55 0.00 1.13 1.35 -0.70 -3.48 112.91 112.60 2xin h THR 82 Ca 0.19 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2xin h THR 82 Cb 0.32 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2xin h THR 82 CO -0.00 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2xin n GLY 83 N 1.26 0.62 3.81 5.82 0.00 0.20 -5.03 105.19 111.87 2xin n GLY 83 Ca -0.02 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2xin n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xin s LEU 84 N 0.00 4.25 0.39 0.99 1.02 -1.07 -4.98 118.68 119.28 2xin s LEU 84 Ca 0.00 1.55 0.08 0.00 0.02 0.00 0.00 54.13 55.78 2xin s LEU 84 Cb 0.00 -3.91 -0.05 0.00 0.02 0.00 0.00 46.19 42.25 2xin s LEU 84 CO 0.00 -0.08 0.15 0.27 0.02 0.00 0.00 176.35 176.71 2xin s ILE 85 N -1.70 2.47 -0.59 -0.59 -4.36 -0.87 -4.67 121.20 110.89 2xin s ILE 85 Ca 0.49 -1.73 -0.00 0.00 -0.26 0.00 0.00 60.65 59.15 2xin s ILE 85 Cb -0.15 -2.97 0.15 0.00 1.25 0.00 0.00 42.46 40.74 2xin s ILE 85 CO 0.20 -0.06 0.38 -0.69 0.24 0.00 0.00 174.94 175.01 2xin s VAL 86 N -2.56 3.32 -0.03 8.37 1.01 -1.26 -1.16 120.40 128.09 2xin s VAL 86 Ca 0.40 -3.10 0.18 0.00 0.00 0.00 0.00 61.98 59.46 2xin s VAL 86 Cb 0.02 -3.20 0.12 0.00 0.00 0.00 0.00 36.38 33.32 2xin s VAL 86 CO 0.22 -0.85 1.60 1.55 0.00 0.00 0.00 175.10 177.62 2xin h PRO 87 N 6.82 0.00 -3.64 2.72 0.13 -1.89 -2.90 132.00 133.24 2xin h PRO 87 Ca -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2xin h PRO 87 Cb 0.93 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.92 2xin h PRO 87 CO 0.70 0.40 -0.25 -1.64 -0.23 0.00 0.00 178.00 176.98 2xin s MET 88 N -3.26 0.94 0.05 0.86 -1.94 -1.26 -1.72 119.30 112.96 2xin s MET 88 Ca 0.02 -0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 53.13 2xin s MET 88 Cb 0.09 0.39 -0.03 0.00 2.01 0.00 0.00 34.83 37.29 2xin s MET 88 CO 0.71 -0.33 0.00 0.14 -0.01 0.00 0.00 175.02 175.53 2xin s VAL 89 N -3.84 0.20 0.27 -6.03 -7.23 -0.91 -4.37 120.40 98.49 2xin s VAL 89 Ca 0.04 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2xin s VAL 89 Cb 0.04 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 2xin s VAL 89 CO -0.11 -0.91 0.28 0.28 -0.31 0.00 0.00 175.10 174.32 2xin s THR 90 N -3.69 0.00 -0.03 5.32 -1.32 -0.94 -1.47 115.64 113.51 2xin s THR 90 Ca 0.05 -1.86 0.05 0.00 -1.21 0.00 0.00 61.69 58.72 2xin s THR 90 Cb 0.06 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.55 2xin s THR 90 CO -0.09 0.00 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.26 2xin s THR 91 N -3.74 1.36 -0.53 5.08 2.01 -1.26 -2.54 115.64 116.02 2xin s THR 91 Ca 0.36 -0.71 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 2xin s THR 91 Cb 0.03 -1.15 0.04 0.00 0.01 0.00 0.00 72.50 71.43 2xin s THR 91 CO 0.18 0.39 0.92 0.21 -0.69 0.00 0.00 174.62 175.63 2xin s ASN 92 N -0.16 6.37 -0.24 3.53 3.84 -1.26 -4.81 114.94 122.20 2xin s ASN 92 Ca 0.01 -0.26 0.10 0.00 0.21 0.00 0.00 52.86 52.92 2xin s ASN 92 Cb -0.09 -2.43 0.44 0.00 -0.55 0.00 0.00 41.25 38.61 2xin s ASN 92 CO 0.01 -1.17 1.24 0.18 -2.79 0.00 0.00 177.10 174.56 2xin n LEU 93 N 7.34 3.40 0.00 3.21 4.77 -1.26 -4.74 117.00 129.72 2xin n LEU 93 Ca 0.02 -4.11 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 2xin n LEU 93 Cb 0.48 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2xin n LEU 93 CO 0.63 1.57 -0.07 2.22 -1.33 0.00 0.00 177.39 180.41 2xin n PHE 94 N -1.02 0.00 -0.04 -1.77 1.16 -1.26 -4.38 117.46 110.15 2xin n PHE 94 Ca 0.27 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.73 2xin n PHE 94 Cb 0.78 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.55 2xin n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 2xin h THR 95 N 0.00 1.42 -3.85 1.97 2.02 -1.93 -3.46 112.91 109.09 2xin h THR 95 Ca 0.00 -1.88 -0.53 0.00 0.77 0.00 0.00 66.41 64.77 2xin h THR 95 Cb 0.06 2.60 0.08 0.00 -1.74 0.00 0.00 68.15 69.15 2xin h THR 95 CO 0.00 0.45 0.69 -2.28 0.37 0.00 0.00 175.52 174.75 2xin s HIS 96 N -2.58 2.92 0.50 3.16 2.46 -1.26 -4.89 115.29 115.59 2xin s HIS 96 Ca -0.16 1.31 0.29 0.00 0.47 0.00 0.00 55.06 56.97 2xin s HIS 96 Cb -0.02 -3.79 1.39 0.00 -0.13 0.00 0.00 32.58 30.03 2xin s HIS 96 CO 0.58 -2.26 1.84 -1.35 -2.47 0.00 0.00 174.74 171.08 2xin h PRO 97 N 3.45 0.12 -0.21 2.88 0.11 -2.02 0.50 132.00 136.82 2xin h PRO 97 Ca -0.49 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2xin h PRO 97 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2xin h PRO 97 CO 0.66 0.08 0.23 -0.24 -0.21 0.00 0.00 178.00 178.52 2xin h VAL 98 N 0.12 0.48 -0.43 3.15 3.04 -1.97 -1.34 116.25 119.30 2xin h VAL 98 Ca 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.19 2xin h VAL 98 Cb 1.78 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 2xin h VAL 98 CO -0.08 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.97 2xin n PHE 99 N -3.83 1.46 0.29 3.17 3.72 0.17 -4.52 117.46 117.91 2xin n PHE 99 Ca 0.02 -0.51 0.14 0.00 -0.05 0.00 0.00 57.45 57.05 2xin n PHE 99 Cb 0.36 -0.37 0.85 0.00 -0.94 0.00 0.00 39.48 39.38 2xin n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2xin h LYS 100 N 2.93 0.00 -0.28 -1.08 2.10 -1.39 -0.92 116.57 117.93 2xin h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2xin h LYS 100 Cb 1.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.84 2xin h LYS 100 CO 0.33 0.01 0.00 -3.47 -2.00 0.00 0.00 179.45 174.32 2xin n ASP 101 N -3.97 3.04 0.00 7.07 2.03 -1.26 -5.01 116.55 118.45 2xin n ASP 101 Ca -0.03 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 53.00 2xin n ASP 101 Cb 0.09 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2xin n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2xin n GLY 102 N 0.10 2.57 0.00 0.27 0.00 -0.35 -3.74 105.19 104.04 2xin n GLY 102 Ca 0.13 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2xin n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xin n GLY 103 N -0.98 -0.25 0.27 -0.02 0.00 -1.26 -4.14 105.19 98.81 2xin n GLY 103 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2xin n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2xin h PHE 104 N 0.00 0.00 0.00 1.61 0.04 -1.86 -3.12 116.94 113.60 2xin h PHE 104 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2xin h PHE 104 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2xin h PHE 104 CO 0.00 0.10 -0.04 0.25 -0.60 0.00 0.00 178.31 178.02 2xin n THR 105 N -3.54 1.88 -1.71 -1.55 -2.24 -1.26 -4.45 114.28 101.40 2xin n THR 105 Ca -0.02 -2.29 -0.39 0.00 -2.27 0.00 0.00 64.05 59.08 2xin n THR 105 Cb 0.23 -0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 2xin n THR 105 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2xin n SER 106 N -1.39 2.43 0.13 3.42 2.88 -1.18 -4.82 113.62 115.08 2xin n SER 106 Ca 0.16 1.01 0.04 0.00 -1.33 0.00 0.00 58.87 58.75 2xin n SER 106 Cb 0.64 -1.53 0.47 0.00 -0.75 0.00 0.00 64.21 63.05 2xin n SER 106 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2xin h ASN 107 N 1.60 0.21 -3.20 -3.46 2.35 -1.92 -3.41 115.58 107.75 2xin h ASN 107 Ca -0.49 -0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 54.67 2xin h ASN 107 Cb 1.31 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.57 2xin h ASN 107 CO 0.57 0.26 1.00 -0.62 -1.65 0.00 0.00 177.43 176.99 2xin s ASP 108 N -6.89 6.58 0.34 5.81 -1.08 -1.26 -4.96 116.67 115.21 2xin s ASP 108 Ca -0.06 1.08 0.05 0.00 -0.52 0.00 0.00 52.55 53.10 2xin s ASP 108 Cb 0.16 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.78 2xin s ASP 108 CO 0.71 -1.18 1.92 -0.09 0.52 0.00 0.00 175.17 177.05 2xin h ARG 109 N 9.69 0.80 -0.21 4.34 2.43 -1.99 -2.66 114.38 126.77 2xin h ARG 109 Ca -0.26 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 2xin h ARG 109 Cb 1.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2xin h ARG 109 CO 1.05 0.53 -0.20 0.66 -1.51 0.00 0.00 179.97 180.50 2xin h SER 110 N 0.82 0.36 -0.06 -3.80 4.64 -1.96 -2.31 113.55 111.24 2xin h SER 110 Ca 0.37 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.44 2xin h SER 110 Cb 0.35 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2xin h SER 110 CO -0.14 0.58 -0.44 0.58 -0.87 0.00 0.00 176.83 176.54 2xin h VAL 111 N 0.34 1.30 -0.21 0.95 2.07 -1.82 -1.51 116.25 117.36 2xin h VAL 111 Ca 0.06 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2xin h VAL 111 Cb 0.54 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2xin h VAL 111 CO 0.04 0.51 0.11 0.03 0.02 0.00 0.00 177.57 178.28 2xin h ARG 112 N 0.49 0.30 -0.49 1.57 3.08 -1.37 0.35 114.38 118.30 2xin h ARG 112 Ca 0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2xin h ARG 112 Cb 0.96 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 2xin h ARG 112 CO 0.09 0.29 0.19 0.00 -1.07 0.00 0.00 179.97 179.47 2xin h ARG 113 N 0.23 0.74 -0.68 0.04 3.08 -1.35 -2.62 114.38 113.84 2xin h ARG 113 Ca 0.08 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2xin h ARG 113 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2xin h ARG 113 CO -0.01 0.67 0.21 -0.92 -1.07 0.00 0.00 179.97 178.85 2xin h TYR 114 N 0.66 1.09 -0.35 3.04 3.20 -0.99 -2.86 116.97 120.76 2xin h TYR 114 Ca 0.16 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.98 2xin h TYR 114 Cb 0.22 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 2xin h TYR 114 CO 0.01 0.88 0.07 0.00 -1.64 0.00 0.00 178.16 177.47 2xin h ALA 115 N 1.09 0.37 -0.43 1.82 0.00 0.02 -1.19 119.26 120.94 2xin h ALA 115 Ca 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2xin h ALA 115 Cb 0.30 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2xin h ALA 115 CO -0.01 -0.34 0.26 0.82 0.00 0.00 0.00 179.25 179.99 2xin h ILE 116 N 0.18 1.13 -0.52 0.00 2.04 -1.41 -2.12 117.51 116.83 2xin h ILE 116 Ca 0.17 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2xin h ILE 116 Cb 0.19 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2xin h ILE 116 CO -0.22 0.13 0.32 0.03 0.00 0.00 0.00 178.15 178.40 2xin h ARG 117 N 0.57 0.70 -0.96 2.37 2.47 -1.26 -0.11 114.38 118.17 2xin h ARG 117 Ca 0.15 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2xin h ARG 117 Cb -0.02 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.11 2xin h ARG 117 CO -0.03 0.51 0.59 -0.22 0.56 0.00 0.00 179.97 181.38 2xin h LYS 118 N 0.70 1.29 -0.18 0.04 3.64 -1.00 -2.29 116.57 118.77 2xin h LYS 118 Ca 0.19 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2xin h LYS 118 Cb -0.02 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 2xin h LYS 118 CO -0.04 0.89 -0.20 0.28 -2.27 0.00 0.00 179.45 178.12 2xin h VAL 119 N 1.32 1.34 -1.00 2.00 2.07 -0.92 -2.83 116.25 118.23 2xin h VAL 119 Ca 0.35 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.54 2xin h VAL 119 Cb -0.08 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2xin h VAL 119 CO -0.07 0.41 0.65 -0.07 0.02 0.00 0.00 177.57 178.51 2xin h LEU 120 N 0.10 1.06 -0.77 2.57 3.38 -0.86 -0.28 115.31 120.51 2xin h LEU 120 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2xin h LEU 120 Cb 0.75 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2xin h LEU 120 CO 0.05 0.70 0.45 -0.09 0.09 0.00 0.00 178.44 179.64 2xin h ARG 121 N 1.21 1.05 -0.16 1.13 2.43 -1.40 -1.90 114.38 116.74 2xin h ARG 121 Ca 0.41 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.35 2xin h ARG 121 Cb 0.09 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2xin h ARG 121 CO -0.15 0.75 -0.48 0.37 -1.51 0.00 0.00 179.97 178.96 2xin h GLN 122 N 1.05 0.42 -0.72 0.20 5.75 -1.02 -2.89 115.11 117.90 2xin h GLN 122 Ca 0.27 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 2xin h GLN 122 Cb -0.02 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2xin h GLN 122 CO -0.05 0.81 0.43 0.52 -2.65 0.00 0.00 178.83 177.89 2xin h MET 123 N 0.34 0.99 -0.35 1.69 2.86 -0.57 0.16 114.93 120.05 2xin h MET 123 Ca 0.02 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2xin h MET 123 Cb 0.96 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2xin h MET 123 CO 0.08 0.71 0.19 -0.44 1.06 0.00 0.00 176.91 178.52 2xin h ASP 124 N 0.99 0.44 -0.61 1.22 3.32 -1.24 0.24 116.42 120.77 2xin h ASP 124 Ca 0.26 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 2xin h ASP 124 Cb -0.01 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2xin h ASP 124 CO -0.05 0.40 0.00 0.25 -1.72 0.00 0.00 179.24 178.13 2xin h LEU 125 N 0.44 1.06 -0.51 1.55 5.85 -1.24 -1.53 115.31 120.93 2xin h LEU 125 Ca 0.12 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2xin h LEU 125 Cb 0.07 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2xin h LEU 125 CO -0.02 1.10 0.29 1.23 -0.34 0.00 0.00 178.44 180.71 2xin h GLY 126 N 0.99 0.75 0.95 3.75 0.00 -0.48 -0.51 103.07 108.52 2xin h GLY 126 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2xin h GLY 126 CO 0.03 0.31 0.33 0.00 0.00 0.00 0.00 176.54 177.22 2xin h ALA 127 N 1.13 0.67 -0.27 3.60 0.00 -0.78 0.81 119.26 124.41 2xin h ALA 127 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2xin h ALA 127 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2xin h ALA 127 CO -0.03 0.07 0.01 1.49 0.00 0.00 0.00 179.25 180.79 2xin h GLU 128 N 0.67 0.41 -0.00 0.00 4.81 -0.75 -2.54 114.58 117.17 2xin h GLU 128 Ca 0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2xin h GLU 128 Cb -0.04 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2xin h GLU 128 CO -0.06 0.42 -0.25 1.28 -0.73 0.00 0.00 179.01 179.67 2xin n LEU 129 N -4.33 0.55 0.00 1.64 4.77 -0.25 -4.95 117.00 114.43 2xin n LEU 129 Ca 0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2xin n LEU 129 Cb 0.20 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2xin n LEU 129 CO 0.38 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2xin n GLY 130 N 1.39 0.76 3.69 -0.72 0.00 -0.56 -4.59 105.19 105.17 2xin n GLY 130 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2xin n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xin n ALA 131 N -0.76 0.99 0.17 4.61 0.00 0.17 -4.85 120.51 120.85 2xin n ALA 131 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.57 2xin n ALA 131 Cb 0.00 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.12 2xin n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2xin n LYS 132 N -1.07 1.49 -4.14 0.00 5.02 -0.70 -4.62 118.16 114.13 2xin n LYS 132 Ca 0.12 -0.06 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 2xin n LYS 132 Cb 0.45 -1.16 -0.12 0.00 -0.02 0.00 0.00 35.03 34.18 2xin n LYS 132 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2xin s THR 133 N -2.47 0.67 -0.22 -0.18 2.01 -1.15 -2.35 115.64 111.95 2xin s THR 133 Ca -0.01 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 2xin s THR 133 Cb 0.07 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.91 2xin s THR 133 CO 0.44 -0.21 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.86 2xin s LEU 134 N -1.26 2.80 -0.01 4.42 2.96 -0.52 -2.15 118.68 124.93 2xin s LEU 134 Ca -0.05 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 2xin s LEU 134 Cb -0.08 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2xin s LEU 134 CO 0.01 -0.04 0.32 -0.69 -1.32 0.00 0.00 176.35 174.62 2xin s VAL 135 N 1.41 5.21 -0.19 1.68 1.01 -0.54 -1.92 120.40 127.06 2xin s VAL 135 Ca 0.04 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 2xin s VAL 135 Cb -0.14 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.68 2xin s VAL 135 CO -0.06 0.47 -0.06 -0.76 0.00 0.00 0.00 175.10 174.69 2xin s LEU 136 N -1.43 1.90 -0.40 3.92 1.02 -0.63 -4.36 118.68 118.71 2xin s LEU 136 Ca 0.25 -0.80 -0.08 0.00 0.02 0.00 0.00 54.13 53.52 2xin s LEU 136 Cb -0.14 -1.02 0.08 0.00 0.02 0.00 0.00 46.19 45.13 2xin s LEU 136 CO 0.13 -0.19 0.22 0.86 0.02 0.00 0.00 176.35 177.40 2xin s TRP 137 N 1.55 3.36 -1.45 0.29 -0.00 -1.26 -1.13 118.94 120.29 2xin s TRP 137 Ca -0.01 -1.65 -0.11 0.00 -0.00 0.00 0.00 56.10 54.34 2xin s TRP 137 Cb -0.16 -2.86 0.05 0.00 -0.00 0.00 0.00 33.47 30.49 2xin s TRP 137 CO -0.08 -0.85 2.38 0.41 -0.00 0.00 0.00 176.95 178.81 2xin n GLY 138 N 4.85 4.58 0.25 5.86 0.00 -1.26 -4.76 105.19 114.70 2xin n GLY 138 Ca -0.09 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.24 2xin n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2xin h GLY 139 N 8.04 0.05 -2.24 -0.02 0.00 -1.91 -2.78 103.07 104.21 2xin h GLY 139 Ca 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2xin h GLY 139 CO 1.74 0.02 0.00 0.54 0.00 0.00 0.00 176.54 178.84 2xin n ARG 140 N -4.43 2.48 -2.89 4.80 5.12 -1.26 -4.08 116.66 116.40 2xin n ARG 140 Ca -0.02 -2.22 -0.43 0.00 -1.93 0.00 0.00 57.85 53.24 2xin n ARG 140 Cb 0.16 -1.51 -0.05 0.00 -1.16 0.00 0.00 32.46 29.90 2xin n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2xin s GLU 141 N -1.57 3.49 0.00 5.56 0.41 -1.05 -2.53 118.70 123.00 2xin s GLU 141 Ca 0.37 0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 2xin s GLU 141 Cb 0.22 -3.93 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 2xin s GLU 141 CO 0.32 -1.16 0.00 0.41 -0.49 0.00 0.00 175.26 174.34 2xin n GLY 142 N 4.94 -0.16 3.76 -1.39 0.00 -1.26 -0.35 105.19 110.73 2xin n GLY 142 Ca 0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 2xin n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xin s ALA 143 N -1.00 -1.58 -0.11 4.61 0.00 0.12 -4.89 121.76 118.91 2xin s ALA 143 Ca 0.00 0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.17 2xin s ALA 143 Cb 0.00 0.68 -0.20 0.00 0.00 0.00 0.00 23.12 23.60 2xin s ALA 143 CO 0.00 -1.03 0.13 0.39 0.00 0.00 0.00 175.76 175.25 2xin n GLU 144 N -0.46 1.34 -4.83 0.00 4.71 -1.26 -1.74 120.64 118.39 2xin n GLU 144 Ca -0.06 -0.04 -0.26 0.00 -0.01 0.00 0.00 57.16 56.79 2xin n GLU 144 Cb 0.60 -1.37 -0.16 0.00 -1.01 0.00 0.00 31.44 29.51 2xin n GLU 144 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2xin s TYR 145 N -2.54 1.66 0.26 -0.32 2.02 -1.26 -4.92 117.35 112.25 2xin s TYR 145 Ca -0.07 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.16 2xin s TYR 145 Cb 0.06 -1.10 0.30 0.00 -0.40 0.00 0.00 41.96 40.81 2xin s TYR 145 CO 0.61 -0.12 1.89 -0.44 -1.57 0.00 0.00 175.55 175.91 2xin h ASP 146 N 6.09 1.05 0.87 2.29 3.32 -1.94 -2.79 116.42 125.31 2xin h ASP 146 Ca -0.34 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2xin h ASP 146 Cb 1.17 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2xin h ASP 146 CO 0.48 0.83 0.00 -1.54 -1.72 0.00 0.00 179.24 177.29 2xin n SER 147 N -4.35 0.17 0.22 6.45 3.41 -1.26 -3.58 113.62 114.67 2xin n SER 147 Ca 0.09 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 2xin n SER 147 Cb 0.09 -0.57 0.26 0.00 -0.26 0.00 0.00 64.21 63.73 2xin n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xin h ALA 148 N 2.71 1.00 -3.28 7.33 0.00 -1.93 -3.44 119.26 121.64 2xin h ALA 148 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 2xin h ALA 148 Cb 0.44 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.85 2xin h ALA 148 CO 0.00 0.00 -0.77 0.21 0.00 0.00 0.00 179.25 178.69 2xin s LYS 149 N -3.26 0.70 -0.63 0.00 2.47 -1.24 -5.01 119.74 112.78 2xin s LYS 149 Ca 0.07 0.05 -0.23 0.00 -1.56 0.00 0.00 55.97 54.30 2xin s LYS 149 Cb 0.06 -0.99 0.06 0.00 -1.46 0.00 0.00 37.83 35.50 2xin s LYS 149 CO 0.64 -0.27 0.94 0.34 0.16 0.00 0.00 175.35 177.17 2xin s ASP 150 N 1.80 6.21 0.16 1.43 -1.08 -1.26 -4.89 116.67 119.04 2xin s ASP 150 Ca 0.03 -0.86 -0.15 0.00 -0.52 0.00 0.00 52.55 51.04 2xin s ASP 150 Cb -0.13 -2.41 0.08 0.00 -1.46 0.00 0.00 42.92 39.00 2xin s ASP 150 CO -0.05 -1.37 1.78 0.58 0.52 0.00 0.00 175.17 176.63 2xin h VAL 151 N 5.98 0.96 0.01 1.11 2.07 -1.98 0.17 116.25 124.56 2xin h VAL 151 Ca -0.28 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2xin h VAL 151 Cb 1.07 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2xin h VAL 151 CO 1.15 0.08 -0.07 -1.28 0.02 0.00 0.00 177.57 177.47 2xin h SER 152 N 0.41 -0.20 -0.90 0.57 0.87 -2.00 0.13 113.55 112.43 2xin h SER 152 Ca 0.18 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2xin h SER 152 Cb 0.10 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 2xin h SER 152 CO -0.14 -0.11 0.51 0.00 -0.53 0.00 0.00 176.83 176.57 2xin h ALA 153 N 0.86 1.20 -0.67 6.23 0.00 -1.90 -1.76 119.26 123.23 2xin h ALA 153 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2xin h ALA 153 Cb 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2xin h ALA 153 CO -0.07 0.66 0.44 0.00 0.00 0.00 0.00 179.25 180.28 2xin h ALA 154 N 1.30 0.85 -0.40 0.00 0.00 0.38 -1.34 119.26 120.05 2xin h ALA 154 Ca 0.32 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2xin h ALA 154 Cb -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2xin h ALA 154 CO -0.05 0.25 -0.09 -0.07 0.00 0.00 0.00 179.25 179.29 2xin h LEU 155 N 0.89 0.68 -0.40 0.00 3.38 -0.13 -0.18 115.31 119.54 2xin h LEU 155 Ca 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2xin h LEU 155 Cb -0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2xin h LEU 155 CO -0.06 0.80 0.23 0.44 0.09 0.00 0.00 178.44 179.94 2xin h ASP 156 N 0.64 0.50 0.14 -0.43 3.32 -0.85 -0.83 116.42 118.91 2xin h ASP 156 Ca 0.12 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 2xin h ASP 156 Cb 0.53 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2xin h ASP 156 CO 0.03 0.43 -0.51 0.03 -1.72 0.00 0.00 179.24 177.50 2xin h ARG 157 N 0.52 0.41 -0.35 3.56 2.47 -1.00 0.12 114.38 120.12 2xin h ARG 157 Ca 0.14 -0.25 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 2xin h ARG 157 Cb 0.03 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2xin h ARG 157 CO -0.02 0.83 0.05 -0.92 0.56 0.00 0.00 179.97 180.47 2xin h TYR 158 N 0.33 0.62 -0.21 3.04 5.03 -0.80 -1.93 116.97 123.05 2xin h TYR 158 Ca 0.01 -0.09 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 2xin h TYR 158 Cb 1.01 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2xin h TYR 158 CO 0.03 0.65 -0.01 -0.09 -1.32 0.00 0.00 178.16 177.42 2xin h ARG 159 N 0.41 0.38 -0.52 1.82 2.43 -1.08 -2.43 114.38 115.39 2xin h ARG 159 Ca 0.10 -0.13 0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2xin h ARG 159 Cb 0.37 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 2xin h ARG 159 CO 0.01 0.59 0.10 1.49 -1.51 0.00 0.00 179.97 180.64 2xin h GLU 160 N 0.13 0.23 -0.19 0.20 4.81 -0.63 -1.47 114.58 117.66 2xin h GLU 160 Ca 0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2xin h GLU 160 Cb 0.42 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2xin h GLU 160 CO 0.01 0.15 0.08 0.00 -0.73 0.00 0.00 179.01 178.52 2xin h ALA 161 N 1.41 0.25 -0.69 2.92 0.00 -1.24 -3.06 119.26 118.84 2xin h ALA 161 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2xin h ALA 161 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2xin h ALA 161 CO -0.35 -0.16 0.25 -0.07 0.00 0.00 0.00 179.25 178.93 2xin h LEU 162 N 0.16 0.98 -1.34 0.00 3.38 -1.19 -2.26 115.31 115.03 2xin h LEU 162 Ca 0.06 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2xin h LEU 162 Cb 0.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2xin h LEU 162 CO -0.01 0.91 0.45 0.78 0.09 0.00 0.00 178.44 180.66 2xin h ASN 163 N 1.00 0.76 -0.09 -0.43 2.35 -1.29 -1.33 115.58 116.54 2xin h ASN 163 Ca 0.23 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 2xin h ASN 163 Cb 0.25 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 2xin h ASN 163 CO -0.01 0.55 -0.05 0.25 -1.65 0.00 0.00 177.43 176.52 2xin h LEU 164 N 0.90 0.20 -0.45 1.61 6.46 -1.39 -2.16 115.31 120.49 2xin h LEU 164 Ca 0.26 -0.42 0.06 0.00 -0.12 0.00 0.00 57.88 57.66 2xin h LEU 164 Cb -0.06 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 2xin h LEU 164 CO -0.06 0.57 0.17 -0.07 -0.62 0.00 0.00 178.44 178.43 2xin h LEU 165 N -0.17 0.18 -0.74 2.25 3.38 -1.09 -1.12 115.31 118.00 2xin h LEU 165 Ca 0.02 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2xin h LEU 165 Cb 0.50 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2xin h LEU 165 CO 0.01 0.14 0.32 0.00 0.09 0.00 0.00 178.44 179.00 2xin h ALA 166 N 1.29 0.95 -0.28 1.53 0.00 -1.22 -2.05 119.26 119.49 2xin h ALA 166 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2xin h ALA 166 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2xin h ALA 166 CO -0.21 0.56 0.18 0.37 0.00 0.00 0.00 179.25 180.15 2xin h GLN 167 N 1.05 0.36 0.10 0.00 5.75 -0.77 -0.87 115.11 120.73 2xin h GLN 167 Ca 0.25 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2xin h GLN 167 Cb 0.18 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2xin h GLN 167 CO -0.02 0.24 -0.05 -0.92 -2.65 0.00 0.00 178.83 175.42 2xin h TYR 168 N 0.37 -0.12 -0.38 3.99 3.20 -1.11 0.16 116.97 123.07 2xin h TYR 168 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2xin h TYR 168 Cb -0.03 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2xin h TYR 168 CO -0.06 -0.03 0.24 1.03 -1.64 0.00 0.00 178.16 177.70 2xin h SER 169 N -0.18 0.44 -0.31 -2.11 0.87 -1.24 -2.05 113.55 108.97 2xin h SER 169 Ca -0.01 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 2xin h SER 169 Cb 0.15 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2xin h SER 169 CO 0.02 0.33 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.31 2xin h GLU 170 N 0.51 0.56 -0.23 2.24 4.39 -1.07 0.29 114.58 121.27 2xin h GLU 170 Ca 0.14 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2xin h GLU 170 Cb -0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2xin h GLU 170 CO -0.03 0.71 0.14 -0.44 -1.16 0.00 0.00 179.01 178.24 2xin h ASP 171 N 0.36 0.27 0.55 1.42 5.19 -0.51 -2.73 116.42 120.97 2xin h ASP 171 Ca 0.09 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2xin h ASP 171 Cb 0.47 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.91 2xin h ASP 171 CO 0.02 0.23 0.00 0.54 -3.12 0.00 0.00 179.24 176.91 2xin n ARG 172 N -4.91 0.02 -1.92 3.56 5.12 -0.79 -4.92 116.66 112.84 2xin n ARG 172 Ca -0.03 0.21 -0.11 0.00 -1.93 0.00 0.00 57.85 55.99 2xin n ARG 172 Cb 0.04 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.83 2xin n ARG 172 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xin n GLY 173 N 0.21 0.34 0.22 -0.13 0.00 -0.63 -4.94 105.19 100.25 2xin n GLY 173 Ca 0.04 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.66 2xin n GLY 173 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2xin h TYR 174 N 0.00 0.00 -1.74 1.61 0.05 -1.25 -3.47 116.97 112.16 2xin h TYR 174 Ca -0.24 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.22 2xin h TYR 174 Cb 1.03 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.72 2xin h TYR 174 CO 0.29 0.27 -0.37 0.41 -1.05 0.00 0.00 178.16 177.71 2xin n GLY 175 N -0.41 0.36 3.83 3.88 0.00 -1.26 -5.00 105.19 106.60 2xin n GLY 175 Ca -0.01 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2xin n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xin s LEU 176 N -4.22 3.25 0.15 0.99 1.43 -1.26 -4.93 118.68 114.09 2xin s LEU 176 Ca 0.00 1.58 0.11 0.00 -1.03 0.00 0.00 54.13 54.80 2xin s LEU 176 Cb 0.00 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 2xin s LEU 176 CO 0.00 -1.17 -0.26 -0.13 0.23 0.00 0.00 176.35 175.02 2xin s ARG 177 N -4.87 1.44 -0.06 1.70 0.52 -0.99 -5.00 118.95 111.69 2xin s ARG 177 Ca 0.58 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.43 2xin s ARG 177 Cb -0.13 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 2xin s ARG 177 CO 0.50 0.43 -0.23 -0.06 0.02 0.00 0.00 175.30 175.96 2xin s PHE 178 N -1.30 2.48 -0.17 -0.53 0.40 -0.25 -1.44 117.98 117.17 2xin s PHE 178 Ca 0.16 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2xin s PHE 178 Cb -0.09 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.87 2xin s PHE 178 CO 0.07 -0.14 -0.10 0.00 0.70 0.00 0.00 175.22 175.75 2xin s ALA 179 N -0.27 1.81 0.15 5.36 0.00 -0.81 -0.82 121.76 127.17 2xin s ALA 179 Ca -0.00 -0.99 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 2xin s ALA 179 Cb -0.13 -1.15 -0.07 0.00 0.00 0.00 0.00 23.12 21.77 2xin s ALA 179 CO 0.03 -0.64 0.87 0.42 0.00 0.00 0.00 175.76 176.44 2xin s ILE 180 N 1.49 4.39 -0.32 0.00 -1.09 0.11 -1.60 121.20 124.19 2xin s ILE 180 Ca 0.02 1.91 -0.07 0.00 -2.23 0.00 0.00 60.65 60.28 2xin s ILE 180 Cb -0.15 -4.24 0.02 0.00 -1.58 0.00 0.00 42.46 36.52 2xin s ILE 180 CO -0.09 0.43 0.09 -0.70 -1.23 0.00 0.00 174.94 173.44 2xin s GLU 181 N -0.62 2.85 0.48 2.79 2.12 -0.29 -0.42 118.70 125.61 2xin s GLU 181 Ca 0.41 -1.02 -0.18 0.00 0.36 0.00 0.00 54.97 54.54 2xin s GLU 181 Cb -0.24 -3.42 -0.09 0.00 0.26 0.00 0.00 34.13 30.65 2xin s GLU 181 CO 0.28 -0.56 0.96 -1.25 -0.54 0.00 0.00 175.26 174.16 2xin s PRO 182 N 1.45 4.05 -0.28 4.30 0.04 -1.26 -4.22 135.00 139.08 2xin s PRO 182 Ca 0.00 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 2xin s PRO 182 Cb -0.18 -2.16 0.10 0.00 0.04 0.00 0.00 34.50 32.29 2xin s PRO 182 CO 0.03 -0.17 0.79 0.21 0.04 0.00 0.00 177.00 177.89 2xin s LYS 183 N -3.73 0.64 0.16 4.56 2.20 -1.23 -4.67 119.74 117.67 2xin s LYS 183 Ca 0.60 1.02 0.03 0.00 -0.36 0.00 0.00 55.97 57.25 2xin s LYS 183 Cb -0.10 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2xin s LYS 183 CO 0.25 -0.12 1.36 -1.00 -0.36 0.00 0.00 175.35 175.48 2xin h PRO 184 N 6.26 0.16 -2.31 4.03 0.13 -1.67 -3.38 132.00 135.23 2xin h PRO 184 Ca -0.29 -0.19 0.18 0.00 -0.87 0.00 0.00 66.00 64.83 2xin h PRO 184 Cb 1.21 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 2xin h PRO 184 CO 0.15 0.95 0.51 0.54 -0.23 0.00 0.00 178.00 179.92 2xin s ASN 185 N -6.91 -0.16 -0.02 1.44 4.22 -1.26 -2.17 114.94 110.08 2xin s ASN 185 Ca -0.02 -0.41 -0.01 0.00 -2.14 0.00 0.00 52.86 50.27 2xin s ASN 185 Cb 0.10 0.48 0.00 0.00 1.28 0.00 0.00 41.25 43.11 2xin s ASN 185 CO 0.83 -0.88 0.03 1.21 -2.04 0.00 0.00 177.10 176.24 2xin n GLU 186 N -0.49 -1.36 0.24 3.55 2.13 -1.26 -4.84 120.64 118.61 2xin n GLU 186 Ca -0.06 1.36 0.13 0.00 0.66 0.00 0.00 57.16 59.26 2xin n GLU 186 Cb 0.61 -1.82 0.42 0.00 0.27 0.00 0.00 31.44 30.91 2xin n GLU 186 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2xin h PRO 187 N 1.14 0.00 -7.11 5.31 0.13 -2.00 -3.50 132.00 125.97 2xin h PRO 187 Ca -0.06 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.59 2xin h PRO 187 Cb 0.13 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.28 2xin h PRO 187 CO 0.00 0.07 0.30 1.03 -0.23 0.00 0.00 178.00 179.17 2xin s ARG 188 N -3.45 3.83 0.21 0.86 1.81 -1.26 -4.97 118.95 115.99 2xin s ARG 188 Ca 0.03 0.76 -0.09 0.00 -1.72 0.00 0.00 55.73 54.72 2xin s ARG 188 Cb 0.08 -2.21 0.29 0.00 -0.45 0.00 0.00 34.95 32.66 2xin s ARG 188 CO 0.62 -0.25 1.76 0.78 -0.68 0.00 0.00 175.30 177.53 2xin h GLY 189 N 0.79 0.93 -6.39 -3.53 0.00 -1.88 -3.40 103.07 89.58 2xin h GLY 189 Ca -0.46 -0.17 -0.25 0.00 0.00 0.00 0.00 47.33 46.45 2xin h GLY 189 CO 0.62 0.03 -0.60 0.99 0.00 0.00 0.00 176.54 177.58 2xin s ASP 190 N -5.45 0.09 -0.01 0.19 1.01 -0.71 -4.64 116.67 107.16 2xin s ASP 190 Ca -0.13 0.33 -0.02 0.00 0.71 0.00 0.00 52.55 53.45 2xin s ASP 190 Cb 0.17 0.24 -0.04 0.00 1.01 0.00 0.00 42.92 44.30 2xin s ASP 190 CO 0.75 -0.18 0.15 -0.63 0.21 0.00 0.00 175.17 175.48 2xin s ILE 191 N 1.48 5.21 0.42 0.77 1.01 -0.92 -0.70 121.20 128.45 2xin s ILE 191 Ca -0.06 -0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 2xin s ILE 191 Cb -0.12 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 2xin s ILE 191 CO -0.06 0.33 1.20 -0.76 0.00 0.00 0.00 174.94 175.64 2xin s LEU 192 N -1.89 4.15 -0.78 2.97 1.43 0.53 -3.77 118.68 121.31 2xin s LEU 192 Ca 0.26 2.41 -0.02 0.00 -1.03 0.00 0.00 54.13 55.75 2xin s LEU 192 Cb -0.12 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 2xin s LEU 192 CO 0.17 -0.79 0.71 0.18 0.23 0.00 0.00 176.35 176.86 2xin n LEU 193 N -0.06 -5.89 0.22 1.79 4.77 -1.26 -4.78 117.00 111.79 2xin n LEU 193 Ca 0.05 -0.31 0.09 0.00 -0.03 0.00 0.00 56.01 55.81 2xin n LEU 193 Cb 0.46 -3.03 0.48 0.00 -2.33 0.00 0.00 43.42 39.01 2xin n LEU 193 CO 0.51 -0.55 0.80 1.55 -1.33 0.00 0.00 177.39 178.37 2xin h PRO 194 N -0.17 0.00 -5.03 3.23 0.13 -1.73 -3.27 132.00 125.15 2xin h PRO 194 Ca -0.23 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.50 2xin h PRO 194 Cb 1.12 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.11 2xin h PRO 194 CO 0.32 0.25 -0.62 0.95 -0.23 0.00 0.00 178.00 178.68 2xin s THR 195 N -3.80 0.84 0.28 1.56 -4.23 -1.26 -2.23 115.64 106.80 2xin s THR 195 Ca -0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2xin s THR 195 Cb 0.11 -2.67 0.27 0.00 1.34 0.00 0.00 72.50 71.56 2xin s THR 195 CO 0.64 -0.03 1.82 0.00 -0.54 0.00 0.00 174.62 176.51 2xin h ALA 196 N 2.29 1.48 -0.44 3.99 0.00 -1.92 -2.41 119.26 122.25 2xin h ALA 196 Ca -0.39 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2xin h ALA 196 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2xin h ALA 196 CO 0.64 0.15 0.10 0.78 0.00 0.00 0.00 179.25 180.92 2xin h GLY 197 N 0.91 0.76 1.01 0.00 0.00 -1.96 -1.00 103.07 102.79 2xin h GLY 197 Ca 0.50 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.35 2xin h GLY 197 CO -0.29 0.45 0.62 0.45 0.00 0.00 0.00 176.54 177.77 2xin h HIS 198 N 0.57 1.22 -0.25 5.60 -0.00 -1.82 -0.57 115.15 119.91 2xin h HIS 198 Ca 0.14 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 2xin h HIS 198 Cb 0.33 -0.41 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 2xin h HIS 198 CO 0.02 0.78 -0.23 0.00 -0.00 0.00 0.00 177.93 178.50 2xin h ALA 199 N 1.34 0.36 -0.01 2.45 0.00 -1.27 -2.24 119.26 119.89 2xin h ALA 199 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2xin h ALA 199 Cb -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2xin h ALA 199 CO -0.07 0.33 0.00 0.82 0.00 0.00 0.00 179.25 180.32 2xin h ILE 200 N 0.31 1.21 -0.74 0.00 2.04 -0.97 -2.30 117.51 117.06 2xin h ILE 200 Ca 0.04 -0.63 0.11 0.00 1.00 0.00 0.00 64.86 65.38 2xin h ILE 200 Cb 0.79 1.62 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 2xin h ILE 200 CO 0.06 0.17 0.36 0.00 0.00 0.00 0.00 178.15 178.73 2xin h ALA 201 N 0.74 1.03 0.12 1.87 0.00 -1.14 -2.73 119.26 119.16 2xin h ALA 201 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2xin h ALA 201 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2xin h ALA 201 CO 0.00 -0.07 -0.14 0.35 0.00 0.00 0.00 179.25 179.39 2xin h PHE 202 N 0.58 -0.36 -0.83 0.00 3.57 -1.29 -3.00 116.94 115.60 2xin h PHE 202 Ca 0.37 0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.02 2xin h PHE 202 Cb 0.44 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 2xin h PHE 202 CO -0.11 -0.21 0.55 0.28 -2.23 0.00 0.00 178.31 176.58 2xin h VAL 203 N -0.30 0.82 0.00 1.41 2.07 -1.12 0.10 116.25 119.23 2xin h VAL 203 Ca 0.01 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2xin h VAL 203 Cb 0.29 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2xin h VAL 203 CO -0.05 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.65 2xin n GLN 204 N -4.52 0.15 0.00 1.57 6.02 -1.06 -2.36 117.38 117.18 2xin n GLN 204 Ca 0.16 0.47 0.12 0.00 -0.01 0.00 0.00 57.00 57.75 2xin n GLN 204 Cb 0.50 -1.85 0.21 0.00 1.02 0.00 0.00 30.24 30.12 2xin n GLN 204 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2xin n GLU 205 N -2.15 2.05 -1.88 -1.09 -0.58 0.35 -4.94 120.64 112.40 2xin n GLU 205 Ca 0.01 -1.59 -0.29 0.00 -0.42 0.00 0.00 57.16 54.87 2xin n GLU 205 Cb 0.16 -1.47 0.07 0.00 -0.57 0.00 0.00 31.44 29.63 2xin n GLU 205 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2xin s LEU 206 N -2.04 2.65 0.11 -4.62 1.43 -0.99 -5.01 118.68 110.22 2xin s LEU 206 Ca 0.30 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.17 2xin s LEU 206 Cb 0.20 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 2xin s LEU 206 CO 0.33 -1.69 1.54 -0.08 0.23 0.00 0.00 176.35 176.68 2xin h GLU 207 N -0.90 0.62 -2.27 1.70 4.81 -1.93 -3.34 114.58 113.26 2xin h GLU 207 Ca -0.46 -0.20 -0.60 0.00 -0.13 0.00 0.00 59.36 57.97 2xin h GLU 207 Cb 1.30 -0.05 -0.42 0.00 0.63 0.00 0.00 28.75 30.21 2xin h GLU 207 CO 0.65 0.75 -0.64 0.54 -0.73 0.00 0.00 179.01 179.58 2xin n ARG 208 N -4.50 2.28 0.23 1.92 1.74 -1.26 -4.93 116.66 112.14 2xin n ARG 208 Ca -0.02 -4.52 0.13 0.00 -0.77 0.00 0.00 57.85 52.67 2xin n ARG 208 Cb 0.28 -2.17 0.74 0.00 -1.02 0.00 0.00 32.46 30.30 2xin n ARG 208 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2xin h PRO 209 N 4.30 0.00 0.00 5.56 0.13 -1.82 -0.32 132.00 139.85 2xin h PRO 209 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2xin h PRO 209 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 2xin h PRO 209 CO 0.79 0.00 -0.01 1.05 -0.23 0.00 0.00 178.00 179.60 2xin h GLU 210 N 0.00 0.00 -0.01 0.86 9.09 -1.92 -0.52 114.58 122.09 2xin h GLU 210 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 2xin h GLU 210 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 2xin h GLU 210 CO -0.00 0.01 -0.30 1.28 0.05 0.00 0.00 179.01 180.05 2xin n LEU 211 N -3.15 0.84 -4.47 3.06 4.77 -0.13 -4.92 117.00 113.01 2xin n LEU 211 Ca -0.02 -0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.47 2xin n LEU 211 Cb 0.15 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 2xin n LEU 211 CO 0.23 0.17 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.63 2xin s PHE 212 N -2.63 2.65 0.00 -1.77 0.40 -0.20 -1.09 117.98 115.34 2xin s PHE 212 Ca 0.21 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2xin s PHE 212 Cb 0.19 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2xin s PHE 212 CO 0.56 0.19 0.00 0.41 0.70 0.00 0.00 175.22 177.08 2xin n GLY 213 N 2.11 3.97 3.36 4.36 0.00 -0.00 -4.96 105.19 114.03 2xin n GLY 213 Ca -0.17 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 2xin n GLY 213 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2xin s ILE 214 N -2.00 1.73 -0.59 -0.61 -4.36 0.41 -0.71 121.20 115.07 2xin s ILE 214 Ca 0.00 -2.20 0.05 0.00 -0.26 0.00 0.00 60.65 58.24 2xin s ILE 214 Cb 0.00 -2.12 0.19 0.00 1.25 0.00 0.00 42.46 41.78 2xin s ILE 214 CO 0.00 -0.54 0.48 -3.20 0.24 0.00 0.00 174.94 171.92 2xin n ASN 215 N -0.42 1.83 -4.79 4.36 5.15 0.44 -2.54 115.26 119.29 2xin n ASN 215 Ca -0.07 -2.95 -0.34 0.00 -0.60 0.00 0.00 54.58 50.62 2xin n ASN 215 Cb 0.61 -0.68 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 2xin n ASN 215 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2xin s PRO 216 N -1.11 3.64 -0.04 1.20 0.04 -1.26 -4.33 135.00 133.15 2xin s PRO 216 Ca 0.30 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.82 2xin s PRO 216 Cb 0.02 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2xin s PRO 216 CO -0.16 -0.58 -0.21 -2.00 0.04 0.00 0.00 177.00 174.10 2xin s GLU 217 N -3.31 1.97 0.16 4.56 2.12 -1.26 -1.75 118.70 121.20 2xin s GLU 217 Ca 0.69 -0.74 -0.27 0.00 0.36 0.00 0.00 54.97 55.01 2xin s GLU 217 Cb -0.18 -1.76 0.01 0.00 0.26 0.00 0.00 34.13 32.46 2xin s GLU 217 CO 0.23 0.36 1.57 1.15 -0.54 0.00 0.00 175.26 178.03 2xin h THR 218 N 4.97 0.09 -0.37 -1.70 2.02 -1.65 -1.41 112.91 114.87 2xin h THR 218 Ca -0.35 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2xin h THR 218 Cb 1.16 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2xin h THR 218 CO 0.48 0.00 0.14 1.23 0.37 0.00 0.00 175.52 177.74 2xin h GLY 219 N -0.28 0.55 1.23 2.16 0.00 -1.87 -2.80 103.07 102.05 2xin h GLY 219 Ca 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 2xin h GLY 219 CO -0.63 0.25 0.02 0.45 0.00 0.00 0.00 176.54 176.62 2xin h HIS 220 N 0.51 1.00 -0.07 5.60 3.86 -1.61 -1.73 115.15 122.71 2xin h HIS 220 Ca 0.13 -0.15 -0.18 0.00 -1.16 0.00 0.00 60.37 59.00 2xin h HIS 220 Cb 0.12 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2xin h HIS 220 CO 0.00 0.89 -0.73 0.93 0.86 0.00 0.00 177.93 179.89 2xin h GLU 221 N 0.87 0.39 0.00 2.45 4.39 -1.28 -3.18 114.58 118.22 2xin h GLU 221 Ca 0.17 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2xin h GLU 221 Cb 0.48 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2xin h GLU 221 CO 0.02 0.96 -0.21 1.96 -1.16 0.00 0.00 179.01 180.58 2xin h GLN 222 N 0.26 0.00 0.00 2.33 4.20 -1.26 -2.00 115.11 118.65 2xin h GLN 222 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2xin h GLN 222 Cb 1.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 2xin h GLN 222 CO 0.12 0.21 -0.05 0.52 -0.67 0.00 0.00 178.83 178.97 2xin h MET 223 N 0.00 0.00 -0.43 1.46 2.86 -1.29 0.21 114.93 117.74 2xin h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2xin h MET 223 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2xin h MET 223 CO 0.03 0.05 0.00 0.43 1.06 0.00 0.00 176.91 178.48 2xin n SER 224 N -3.49 3.30 -1.61 1.22 7.64 -0.79 -3.99 113.62 115.90 2xin n SER 224 Ca -0.02 -1.94 -0.15 0.00 1.01 0.00 0.00 58.87 57.77 2xin n SER 224 Cb 0.17 -0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2xin n SER 224 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2xin n ASN 225 N 1.20 -4.52 -4.90 6.43 5.15 0.73 -5.01 115.26 114.34 2xin n ASN 225 Ca 0.17 0.04 -0.28 0.00 -0.60 0.00 0.00 54.58 53.92 2xin n ASN 225 Cb 0.53 -3.62 -0.00 0.00 -0.53 0.00 0.00 39.78 36.16 2xin n ASN 225 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2xin s LEU 226 N -4.12 3.67 -0.40 1.20 1.43 -0.99 -4.99 118.68 114.47 2xin s LEU 226 Ca 0.00 0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 53.77 2xin s LEU 226 Cb 0.00 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.37 2xin s LEU 226 CO 0.00 -0.54 0.96 0.21 0.23 0.00 0.00 176.35 177.21 2xin s ASN 227 N -3.99 6.64 0.02 2.29 3.84 -1.26 -4.34 114.94 118.13 2xin s ASN 227 Ca 0.47 0.47 -0.25 0.00 0.21 0.00 0.00 52.86 53.76 2xin s ASN 227 Cb -0.10 -2.48 -0.18 0.00 -0.55 0.00 0.00 41.25 37.95 2xin s ASN 227 CO 0.43 -0.96 1.38 0.15 -2.79 0.00 0.00 177.10 175.31 2xin h PHE 228 N 8.71 -0.16 -0.49 0.43 3.57 -1.92 -2.40 116.94 124.69 2xin h PHE 228 Ca -0.23 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.36 2xin h PHE 228 Cb 1.07 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.78 2xin h PHE 228 CO 0.86 0.15 -0.03 1.15 -2.23 0.00 0.00 178.31 178.20 2xin h THR 229 N -0.48 0.59 -0.52 4.41 2.02 -1.92 -1.09 112.91 115.91 2xin h THR 229 Ca -0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2xin h THR 229 Cb 0.38 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2xin h THR 229 CO 0.03 0.01 0.23 1.56 0.37 0.00 0.00 175.52 177.72 2xin h GLN 230 N 0.08 0.74 -0.35 6.66 4.20 -1.98 0.55 115.11 125.01 2xin h GLN 230 Ca 0.24 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 2xin h GLN 230 Cb 0.37 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2xin h GLN 230 CO -0.43 0.59 -0.42 0.78 -0.67 0.00 0.00 178.83 178.68 2xin h GLY 231 N 0.85 0.95 1.14 3.46 0.00 -0.77 -2.45 103.07 106.25 2xin h GLY 231 Ca 0.18 -0.99 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 2xin h GLY 231 CO -0.02 0.89 0.17 -2.22 0.00 0.00 0.00 176.54 175.36 2xin h ILE 232 N 0.70 1.26 -0.49 2.60 1.08 -0.59 -0.89 117.51 121.18 2xin h ILE 232 Ca 0.05 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2xin h ILE 232 Cb 1.00 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 2xin h ILE 232 CO 0.10 0.36 0.32 0.00 -0.69 0.00 0.00 178.15 178.24 2xin h ALA 233 N 1.16 0.63 -0.60 1.87 0.00 -0.73 -0.38 119.26 121.20 2xin h ALA 233 Ca 0.22 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2xin h ALA 233 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2xin h ALA 233 CO 0.00 0.06 0.01 0.37 0.00 0.00 0.00 179.25 179.69 2xin h GLN 234 N 0.66 1.04 -0.70 0.00 4.15 -1.12 -1.74 115.11 117.41 2xin h GLN 234 Ca 0.18 -0.32 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 2xin h GLN 234 Cb -0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 2xin h GLN 234 CO -0.04 1.01 0.25 0.00 -1.93 0.00 0.00 178.83 178.12 2xin h ALA 235 N 1.04 1.13 -0.54 3.38 0.00 -0.52 -2.19 119.26 121.56 2xin h ALA 235 Ca 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2xin h ALA 235 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2xin h ALA 235 CO 0.03 0.61 0.10 -0.07 0.00 0.00 0.00 179.25 179.92 2xin h LEU 236 N 1.02 0.86 -1.33 0.00 3.38 -0.92 -0.04 115.31 118.27 2xin h LEU 236 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2xin h LEU 236 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2xin h LEU 236 CO -0.01 0.89 0.42 -0.25 0.09 0.00 0.00 178.44 179.58 2xin h TRP 237 N 0.79 0.83 0.00 1.13 7.01 -0.94 -0.44 115.95 124.33 2xin h TRP 237 Ca 0.17 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.18 2xin h TRP 237 Cb 0.39 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 2xin h TRP 237 CO 0.03 0.54 -0.34 0.45 -2.79 0.00 0.00 178.44 176.33 2xin h HIS 238 N 0.89 0.00 -4.38 2.65 3.86 -1.06 -3.48 115.15 113.63 2xin h HIS 238 Ca 0.24 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.17 2xin h HIS 238 Cb -0.08 0.00 0.10 0.00 1.06 0.00 0.00 27.41 28.49 2xin h HIS 238 CO 0.00 0.00 -0.48 1.63 0.86 0.00 0.00 177.93 179.94 2xin n LYS 239 N -2.23 -5.49 -0.09 2.45 5.02 -0.17 -4.93 118.16 112.71 2xin n LYS 239 Ca 0.04 0.58 0.03 0.00 -2.02 0.00 0.00 58.31 56.94 2xin n LYS 239 Cb 0.44 -4.85 0.08 0.00 -0.02 0.00 0.00 35.03 30.68 2xin n LYS 239 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2xin n LYS 240 N -3.61 2.91 -2.63 1.97 4.76 -0.26 -4.89 118.16 116.42 2xin n LYS 240 Ca -0.01 -1.80 -0.42 0.00 -2.87 0.00 0.00 58.31 53.22 2xin n LYS 240 Cb 0.55 -1.15 -0.02 0.00 -1.84 0.00 0.00 35.03 32.57 2xin n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2xin s LEU 241 N -1.06 3.85 0.16 -0.35 2.96 -1.23 -0.44 118.68 122.56 2xin s LEU 241 Ca 0.12 -1.78 0.16 0.00 -0.22 0.00 0.00 54.13 52.40 2xin s LEU 241 Cb 0.07 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2xin s LEU 241 CO 0.08 -1.35 1.10 -0.26 -1.32 0.00 0.00 176.35 174.59 2xin h PHE 242 N 9.14 0.00 -2.82 5.38 -1.00 -1.84 -3.48 116.94 122.32 2xin h PHE 242 Ca 0.25 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.11 2xin h PHE 242 Cb 0.98 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.47 2xin h PHE 242 CO 1.28 0.54 0.30 -1.01 -1.61 0.00 0.00 178.31 177.81 2xin s HIS 243 N -2.95 -0.21 -0.11 -0.55 3.76 -1.19 -4.87 115.29 109.17 2xin s HIS 243 Ca 0.00 -0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 2xin s HIS 243 Cb 0.08 0.68 0.03 0.00 1.11 0.00 0.00 32.58 34.48 2xin s HIS 243 CO 0.78 -1.09 0.32 -1.50 -0.85 0.00 0.00 174.74 172.40 2xin s ILE 244 N -3.73 0.00 -0.19 0.60 2.07 -1.26 -4.11 121.20 114.58 2xin s ILE 244 Ca 0.10 -0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 2xin s ILE 244 Cb -0.04 -0.45 -0.01 0.00 0.13 0.00 0.00 42.46 42.08 2xin s ILE 244 CO 0.04 -0.01 -0.06 -1.81 -1.91 0.00 0.00 174.94 171.19 2xin s ASP 245 N 0.10 4.33 -0.10 4.50 1.01 -0.71 -2.85 116.67 122.95 2xin s ASP 245 Ca -0.01 -0.33 -0.01 0.00 0.71 0.00 0.00 52.55 52.91 2xin s ASP 245 Cb -0.02 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 2xin s ASP 245 CO 0.01 0.05 -0.04 -0.76 0.21 0.00 0.00 175.17 174.63 2xin s LEU 246 N 1.08 3.28 0.00 1.23 1.43 0.17 -1.81 118.68 124.06 2xin s LEU 246 Ca 0.01 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 2xin s LEU 246 Cb -0.15 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2xin s LEU 246 CO -0.00 0.30 0.22 -0.46 0.23 0.00 0.00 176.35 176.63 2xin n ASN 247 N 2.64 -0.32 -4.25 2.29 0.23 -1.26 -2.12 115.26 112.47 2xin n ASN 247 Ca -0.18 -1.15 -0.19 0.00 -0.53 0.00 0.00 54.58 52.53 2xin n ASN 247 Cb 0.53 0.51 -0.11 0.00 -2.08 0.00 0.00 39.78 38.63 2xin n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2xin s GLY 248 N -2.35 1.10 0.02 4.83 0.00 -0.02 -4.26 107.32 106.64 2xin s GLY 248 Ca 0.05 -1.27 -0.24 0.00 0.00 0.00 0.00 44.72 43.25 2xin s GLY 248 CO 0.01 -1.32 0.56 1.62 0.00 0.00 0.00 173.10 173.97 2xin s GLN 249 N -2.48 1.02 -0.81 2.90 2.00 -1.26 -1.24 119.66 119.80 2xin s GLN 249 Ca 0.08 -0.09 0.02 0.00 -2.00 0.00 0.00 55.36 53.37 2xin s GLN 249 Cb -0.06 0.47 0.23 0.00 0.80 0.00 0.00 33.01 34.45 2xin s GLN 249 CO 0.03 -0.35 0.80 0.72 -0.50 0.00 0.00 175.29 175.99 2xin n HIS 250 N 0.60 3.62 -4.88 1.67 8.25 -1.26 -3.33 115.22 119.90 2xin n HIS 250 Ca -0.19 -3.99 0.00 0.00 -0.26 0.00 0.00 57.72 53.28 2xin n HIS 250 Cb 0.59 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.82 2xin n HIS 250 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xin n GLY 251 N 1.69 0.41 3.58 -1.41 0.00 -1.26 -4.62 105.19 103.58 2xin n GLY 251 Ca 0.24 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 2xin n GLY 251 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xin s PRO 252 N 0.00 3.30 0.05 1.61 0.05 -1.22 -4.31 135.00 134.47 2xin s PRO 252 Ca 0.00 0.77 -0.14 0.00 0.05 0.00 0.00 61.00 61.68 2xin s PRO 252 Cb 0.00 -4.14 0.05 0.00 0.05 0.00 0.00 34.50 30.45 2xin s PRO 252 CO 0.00 -1.92 0.65 0.36 0.05 0.00 0.00 177.00 176.14 2xin n LYS 253 N 8.53 0.23 -0.66 4.56 2.85 -1.26 -5.08 118.16 127.32 2xin n LYS 253 Ca 0.16 -0.63 -0.31 0.00 -1.05 0.00 0.00 58.31 56.48 2xin n LYS 253 Cb 0.49 0.92 0.18 0.00 -0.65 0.00 0.00 35.03 35.96 2xin n LYS 253 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 2xin n PHE 254 N -0.46 -0.27 -1.67 5.58 -1.74 -1.26 -4.86 117.46 112.78 2xin n PHE 254 Ca 0.01 0.23 -0.43 0.00 -0.56 0.00 0.00 57.45 56.70 2xin n PHE 254 Cb 0.33 -1.86 -0.03 0.00 1.52 0.00 0.00 39.48 39.44 2xin n PHE 254 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2xin s ASP 255 N -2.39 5.51 -0.09 5.98 -1.08 -1.26 -4.90 116.67 118.45 2xin s ASP 255 Ca 0.64 1.80 -0.02 0.00 -0.52 0.00 0.00 52.55 54.45 2xin s ASP 255 Cb -0.22 -2.51 -0.26 0.00 -1.46 0.00 0.00 42.92 38.47 2xin s ASP 255 CO 0.62 -1.93 0.50 1.56 0.52 0.00 0.00 175.17 176.44 2xin h GLN 256 N 14.76 0.21 -5.96 4.34 4.20 -1.89 -3.49 115.11 127.29 2xin h GLN 256 Ca -0.40 -0.37 -0.40 0.00 0.06 0.00 0.00 58.65 57.54 2xin h GLN 256 Cb 1.23 0.14 0.09 0.00 0.30 0.00 0.00 27.48 29.23 2xin h GLN 256 CO 0.97 1.05 -0.76 -0.25 -0.67 0.00 0.00 178.83 179.17 2xin n ASP 257 N -3.39 -3.49 -4.71 1.46 8.00 -1.21 -4.74 116.55 108.48 2xin n ASP 257 Ca -0.27 -0.69 -0.29 0.00 0.71 0.00 0.00 54.79 54.26 2xin n ASP 257 Cb 1.05 -4.55 0.15 0.00 -0.02 0.00 0.00 41.12 37.75 2xin n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2xin s LEU 258 N -6.88 1.90 0.55 0.64 1.43 -0.37 -0.43 118.68 115.51 2xin s LEU 258 Ca 0.29 0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.14 2xin s LEU 258 Cb -0.14 -3.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2xin s LEU 258 CO 0.77 -2.73 1.31 -0.69 0.23 0.00 0.00 176.35 175.24 2xin s VAL 259 N -3.24 2.27 0.21 -1.59 1.01 -1.26 -0.84 120.40 116.96 2xin s VAL 259 Ca 0.65 0.20 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 2xin s VAL 259 Cb -0.15 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.01 2xin s VAL 259 CO 0.54 -0.01 1.62 0.33 0.00 0.00 0.00 175.10 177.58 2xin n PHE 260 N -1.12 2.55 -0.18 5.22 7.35 -1.26 -1.37 117.46 128.65 2xin n PHE 260 Ca 0.11 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2xin n PHE 260 Cb 0.46 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.70 2xin n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2xin n GLY 261 N 3.30 1.21 0.18 7.13 0.00 -1.26 -4.78 105.19 110.97 2xin n GLY 261 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 2xin n GLY 261 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2xin n HIS 262 N -2.00 0.00 0.00 1.61 8.25 -0.47 -4.30 115.22 118.31 2xin n HIS 262 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2xin n HIS 262 Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 2xin n HIS 262 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xin n GLY 263 N 1.30 0.17 3.48 -1.41 0.00 -1.26 -4.86 105.19 102.60 2xin n GLY 263 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2xin n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2xin s ASP 264 N -0.52 6.48 0.18 1.61 -1.08 -1.21 -4.89 116.67 117.25 2xin s ASP 264 Ca 0.00 -1.63 -0.11 0.00 -0.52 0.00 0.00 52.55 50.28 2xin s ASP 264 Cb 0.00 -2.44 0.08 0.00 -1.46 0.00 0.00 42.92 39.10 2xin s ASP 264 CO 0.00 -1.27 1.72 0.25 0.52 0.00 0.00 175.17 176.40 2xin h LEU 265 N 11.21 0.87 -0.75 -1.34 5.85 -1.91 -1.92 115.31 127.31 2xin h LEU 265 Ca 0.05 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.63 2xin h LEU 265 Cb 1.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2xin h LEU 265 CO 1.20 0.82 0.46 -0.07 -0.34 0.00 0.00 178.44 180.51 2xin h LEU 266 N 0.86 0.74 -0.46 2.25 3.38 -1.94 -1.61 115.31 118.54 2xin h LEU 266 Ca 0.20 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 2xin h LEU 266 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2xin h LEU 266 CO -0.01 0.50 -0.54 -1.13 0.09 0.00 0.00 178.44 177.34 2xin h ASN 267 N 0.88 0.00 -0.46 -0.43 -0.73 -1.96 -2.66 115.58 110.22 2xin h ASN 267 Ca 0.32 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.44 2xin h ASN 267 Cb 0.09 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 2xin h ASN 267 CO -0.14 0.54 0.10 0.00 -0.37 0.00 0.00 177.43 177.57 2xin h ALA 268 N 1.46 0.61 0.21 1.57 0.00 -0.74 -1.57 119.26 120.80 2xin h ALA 268 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2xin h ALA 268 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2xin h ALA 268 CO 0.07 0.31 -0.10 0.35 0.00 0.00 0.00 179.25 179.87 2xin h PHE 269 N 0.62 -0.27 -0.14 0.00 3.57 -1.17 -2.51 116.94 117.05 2xin h PHE 269 Ca 0.14 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2xin h PHE 269 Cb 0.34 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2xin h PHE 269 CO 0.02 -0.14 -0.23 0.66 -2.23 0.00 0.00 178.31 176.39 2xin h SER 270 N -0.32 0.24 -0.33 0.41 4.64 -1.49 -2.11 113.55 114.58 2xin h SER 270 Ca -0.03 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2xin h SER 270 Cb 0.24 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2xin h SER 270 CO 0.05 0.48 0.07 0.25 -0.87 0.00 0.00 176.83 176.81 2xin h LEU 271 N 0.22 0.51 -0.82 5.97 5.85 -1.11 -0.68 115.31 125.25 2xin h LEU 271 Ca 0.04 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 2xin h LEU 271 Cb 0.53 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2xin h LEU 271 CO 0.04 0.61 -0.11 0.58 -0.34 0.00 0.00 178.44 179.22 2xin h VAL 272 N 0.38 1.26 -0.18 1.05 2.07 -1.24 -1.82 116.25 117.77 2xin h VAL 272 Ca 0.10 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2xin h VAL 272 Cb 0.31 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2xin h VAL 272 CO 0.00 0.40 0.08 -0.78 0.02 0.00 0.00 177.57 177.29 2xin h ASP 273 N 0.70 0.23 -0.14 0.57 3.58 -1.26 -1.79 116.42 118.32 2xin h ASP 273 Ca 0.12 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2xin h ASP 273 Cb 0.58 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2xin h ASP 273 CO 0.04 0.30 0.09 0.25 -2.88 0.00 0.00 179.24 177.03 2xin h LEU 274 N 0.15 0.17 -0.79 2.28 5.85 -0.78 -0.97 115.31 121.23 2xin h LEU 274 Ca 0.06 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2xin h LEU 274 Cb 0.13 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2xin h LEU 274 CO -0.01 0.17 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.96 2xin h LEU 275 N 0.16 0.67 0.03 2.25 3.38 -1.25 -3.38 115.31 117.17 2xin h LEU 275 Ca 0.05 -0.23 -0.37 0.00 0.09 0.00 0.00 57.88 57.42 2xin h LEU 275 Cb 0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2xin h LEU 275 CO -0.01 0.88 -2.27 -0.62 0.09 0.00 0.00 178.44 176.52 2xin n GLU 276 N -4.12 0.68 -2.36 1.13 -0.58 -0.68 -1.04 120.64 113.68 2xin n GLU 276 Ca -0.00 0.17 -0.41 0.00 -0.42 0.00 0.00 57.16 56.50 2xin n GLU 276 Cb 0.42 -1.59 0.01 0.00 -0.57 0.00 0.00 31.44 29.70 2xin n GLU 276 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2xin n ASN 277 N -3.21 7.54 -4.13 1.62 3.02 -0.37 -3.37 115.26 116.36 2xin n ASN 277 Ca -0.37 -3.41 -0.30 0.00 -0.03 0.00 0.00 54.58 50.46 2xin n ASN 277 Cb 1.04 -1.27 0.19 0.00 -0.61 0.00 0.00 39.78 39.13 2xin n ASN 277 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2xin s GLY 278 N -0.53 1.76 0.00 7.41 0.00 -0.71 -4.84 107.32 110.42 2xin s GLY 278 Ca 0.45 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2xin s GLY 278 CO -0.10 -0.40 0.27 -1.05 0.00 0.00 0.00 173.10 171.82 2xin n PRO 279 N -3.82 0.00 0.00 2.90 -0.02 -1.21 -3.41 135.00 129.43 2xin n PRO 279 Ca 0.15 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2xin n PRO 279 Cb 0.59 -0.44 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 2xin n PRO 279 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2xin n ASP 280 N -1.62 0.00 0.00 2.55 8.00 -1.26 -4.82 116.55 119.40 2xin n ASP 280 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2xin n ASP 280 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2xin n ASP 280 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2xin n GLY 281 N 0.62 0.32 3.77 0.44 0.00 -1.22 -5.08 105.19 104.03 2xin n GLY 281 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2xin n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xin s ALA 282 N 0.00 2.69 0.54 4.61 0.00 -1.26 -4.26 121.76 124.07 2xin s ALA 282 Ca 0.00 0.93 -0.21 0.00 0.00 0.00 0.00 51.96 52.68 2xin s ALA 282 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 2xin s ALA 282 CO 0.00 -0.92 1.00 -2.30 0.00 0.00 0.00 175.76 173.54 2xin n PRO 283 N -1.27 1.12 0.18 0.00 -0.02 -1.22 -1.74 135.00 132.05 2xin n PRO 283 Ca 0.12 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 2xin n PRO 283 Cb 0.50 -2.15 0.12 0.00 -0.02 0.00 0.00 33.50 31.95 2xin n PRO 283 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xin h ALA 284 N 0.92 0.83 -3.67 3.55 0.00 -1.29 -3.44 119.26 116.17 2xin h ALA 284 Ca -0.47 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 53.97 2xin h ALA 284 Cb 1.35 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.82 2xin h ALA 284 CO 0.53 0.00 -0.80 -0.47 0.00 0.00 0.00 179.25 178.51 2xin s TYR 285 N -3.26 1.14 -1.03 0.00 5.04 -1.17 -5.03 117.35 113.05 2xin s TYR 285 Ca 0.05 -0.34 0.09 0.00 -2.44 0.00 0.00 57.07 54.43 2xin s TYR 285 Cb 0.07 -0.83 0.15 0.00 0.35 0.00 0.00 41.96 41.69 2xin s TYR 285 CO 0.71 -0.17 0.98 -0.40 -1.34 0.00 0.00 175.55 175.33 2xin n ASP 286 N 3.52 2.21 -3.47 4.32 5.75 -1.26 -4.93 116.55 122.69 2xin n ASP 286 Ca -0.21 -1.65 -0.14 0.00 -0.01 0.00 0.00 54.79 52.78 2xin n ASP 286 Cb 0.53 -0.08 0.08 0.00 -1.03 0.00 0.00 41.12 40.61 2xin n ASP 286 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2xin n GLY 287 N 0.47 0.41 3.76 6.12 0.00 -1.26 -5.06 105.19 109.63 2xin n GLY 287 Ca 0.07 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 2xin n GLY 287 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2xin s PRO 288 N -4.11 3.29 -0.76 1.61 0.02 -1.26 -4.94 135.00 128.85 2xin s PRO 288 Ca 0.40 2.10 -0.12 0.00 0.02 0.00 0.00 61.00 63.41 2xin s PRO 288 Cb -0.02 -2.28 0.20 0.00 0.02 0.00 0.00 34.50 32.42 2xin s PRO 288 CO 0.27 -1.03 0.67 1.03 -0.33 0.00 0.00 177.00 177.62 2xin s ARG 289 N -2.87 3.32 -0.08 5.54 3.00 0.06 -4.20 118.95 123.72 2xin s ARG 289 Ca 0.70 -2.41 -0.18 0.00 0.00 0.00 0.00 55.73 53.84 2xin s ARG 289 Cb -0.37 -4.27 -0.05 0.00 0.00 0.00 0.00 34.95 30.27 2xin s ARG 289 CO 0.44 -1.27 0.49 1.21 0.00 0.00 0.00 175.30 176.17 2xin s ASN 290 N 1.97 6.76 -0.40 0.23 2.47 -1.13 -1.75 114.94 123.09 2xin s ASN 290 Ca 0.16 0.90 -0.16 0.00 0.42 0.00 0.00 52.86 54.19 2xin s ASN 290 Cb -0.14 -2.29 0.02 0.00 -1.45 0.00 0.00 41.25 37.38 2xin s ASN 290 CO -0.07 0.08 0.35 -0.36 -3.72 0.00 0.00 177.10 173.38 2xin s PHE 291 N 0.18 3.21 -0.77 0.43 0.08 -0.54 0.44 117.98 121.01 2xin s PHE 291 Ca 0.26 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.85 2xin s PHE 291 Cb -0.16 -2.70 0.19 0.00 -0.57 0.00 0.00 43.02 39.78 2xin s PHE 291 CO 0.12 -0.60 0.62 0.34 -0.10 0.00 0.00 175.22 175.60 2xin s ASP 292 N 1.74 5.64 0.33 1.36 -1.08 -0.90 -3.78 116.67 119.97 2xin s ASP 292 Ca 0.08 -3.32 0.05 0.00 -0.52 0.00 0.00 52.55 48.84 2xin s ASP 292 Cb -0.18 -1.88 -0.03 0.00 -1.46 0.00 0.00 42.92 39.36 2xin s ASP 292 CO 0.12 -0.27 0.20 -0.72 0.52 0.00 0.00 175.17 175.01 2xin s TYR 293 N -0.75 1.67 -0.03 -5.34 1.13 -1.26 -4.54 117.35 108.22 2xin s TYR 293 Ca 0.22 -1.48 0.00 0.00 -1.41 0.00 0.00 57.07 54.41 2xin s TYR 293 Cb -0.13 -0.84 0.03 0.00 -1.10 0.00 0.00 41.96 39.92 2xin s TYR 293 CO -0.08 -0.63 -0.00 0.15 -2.51 0.00 0.00 175.55 172.47 2xin s LYS 294 N -3.66 0.36 0.10 -3.49 1.02 0.43 -4.40 119.74 110.10 2xin s LYS 294 Ca 0.35 0.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.10 2xin s LYS 294 Cb 0.03 -0.54 -0.09 0.00 -0.52 0.00 0.00 37.83 36.71 2xin s LYS 294 CO 0.21 -0.14 1.66 -2.14 -0.92 0.00 0.00 175.35 174.02 2xin s PRO 295 N 1.06 4.19 0.42 -1.68 0.02 -1.26 -4.65 135.00 133.10 2xin s PRO 295 Ca -0.09 2.38 -0.23 0.00 0.02 0.00 0.00 61.00 63.08 2xin s PRO 295 Cb -0.14 -3.48 -0.12 0.00 0.02 0.00 0.00 34.50 30.78 2xin s PRO 295 CO -0.02 -0.72 0.59 0.43 -0.33 0.00 0.00 177.00 176.96 2xin n SER 296 N 5.19 -0.67 0.22 2.53 7.64 -1.26 -4.85 113.62 122.41 2xin n SER 296 Ca 0.16 0.92 0.16 0.00 1.01 0.00 0.00 58.87 61.12 2xin n SER 296 Cb 0.40 -1.13 0.81 0.00 -1.01 0.00 0.00 64.21 63.28 2xin n SER 296 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2xin h ARG 297 N 0.87 0.00 0.00 1.43 2.43 -1.91 -2.06 114.38 115.15 2xin h ARG 297 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2xin h ARG 297 Cb 1.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2xin h ARG 297 CO 0.52 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 179.23 2xin n THR 298 N -3.95 0.29 -3.96 0.20 -2.24 -1.26 -4.79 114.28 98.57 2xin n THR 298 Ca 0.01 0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 2xin n THR 298 Cb 0.26 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 2xin n THR 298 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2xin s GLU 299 N -2.65 3.38 0.02 -0.78 0.41 -0.77 -5.11 118.70 113.19 2xin s GLU 299 Ca 0.20 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 2xin s GLU 299 Cb 0.16 -2.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 2xin s GLU 299 CO 0.37 0.53 0.03 -0.40 -0.49 0.00 0.00 175.26 175.30 2xin n ASP 300 N -0.40 0.38 0.28 -0.19 5.68 -1.26 -4.86 116.55 116.18 2xin n ASP 300 Ca -0.07 -1.07 0.14 0.00 -0.50 0.00 0.00 54.79 53.29 2xin n ASP 300 Cb 0.54 -0.01 0.82 0.00 -1.14 0.00 0.00 41.12 41.32 2xin n ASP 300 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2xin h TYR 301 N 0.15 0.00 -0.57 2.11 0.05 -1.98 0.44 116.97 117.17 2xin h TYR 301 Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 2xin h TYR 301 Cb 0.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 2xin h TYR 301 CO 0.00 0.06 0.12 -0.44 -1.05 0.00 0.00 178.16 176.85 2xin h ASP 302 N 0.00 0.88 -0.52 3.88 3.32 -2.00 -2.09 116.42 119.89 2xin h ASP 302 Ca -0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 2xin h ASP 302 Cb 0.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2xin h ASP 302 CO 0.01 0.90 0.11 1.23 -1.72 0.00 0.00 179.24 179.77 2xin h GLY 303 N 0.83 0.91 0.43 2.75 0.00 -1.36 -1.55 103.07 105.08 2xin h GLY 303 Ca 0.18 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.94 2xin h GLY 303 CO 0.01 0.54 -0.36 -2.08 0.00 0.00 0.00 176.54 174.65 2xin h VAL 304 N 0.73 0.26 -0.26 4.60 2.07 -0.71 0.89 116.25 123.83 2xin h VAL 304 Ca 0.16 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 2xin h VAL 304 Cb 0.36 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2xin h VAL 304 CO 0.00 0.00 -0.10 -0.50 0.02 0.00 0.00 177.57 177.00 2xin h TRP 305 N -0.62 0.45 -0.56 1.57 4.06 -1.34 -1.73 115.95 117.79 2xin h TRP 305 Ca 0.02 -0.06 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 2xin h TRP 305 Cb 0.63 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 2xin h TRP 305 CO -0.29 0.52 0.11 0.93 -3.56 0.00 0.00 178.44 176.16 2xin h GLU 306 N 0.40 0.91 -0.13 0.49 4.39 -0.72 -2.66 114.58 117.27 2xin h GLU 306 Ca 0.08 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 2xin h GLU 306 Cb 0.43 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2xin h GLU 306 CO 0.02 0.86 -0.41 0.66 -1.16 0.00 0.00 179.01 178.99 2xin h SER 307 N 0.81 0.30 -0.01 1.42 4.64 -0.41 -0.82 113.55 119.47 2xin h SER 307 Ca 0.17 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2xin h SER 307 Cb 0.38 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2xin h SER 307 CO 0.01 0.68 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 2xin h ALA 308 N 1.34 0.01 -0.90 5.18 0.00 -1.03 -2.74 119.26 121.13 2xin h ALA 308 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2xin h ALA 308 Cb 0.83 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2xin h ALA 308 CO 0.07 -0.39 0.59 0.87 0.00 0.00 0.00 179.25 180.39 2xin h LYS 309 N -0.18 1.15 -0.97 0.00 1.57 -1.41 -2.69 116.57 114.04 2xin h LYS 309 Ca 0.00 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2xin h LYS 309 Cb 0.20 -0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 2xin h LYS 309 CO -0.00 0.76 0.64 0.00 -0.57 0.00 0.00 179.45 180.28 2xin h ALA 310 N 1.45 1.36 0.04 3.86 0.00 -0.86 0.34 119.26 125.46 2xin h ALA 310 Ca 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2xin h ALA 310 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.31 2xin h ALA 310 CO -0.08 0.55 -0.22 -0.91 0.00 0.00 0.00 179.25 178.58 2xin h ASN 311 N 1.24 -0.63 -0.82 0.00 2.35 -1.24 0.11 115.58 116.59 2xin h ASN 311 Ca 0.38 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 56.18 2xin h ASN 311 Cb -0.01 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2xin h ASN 311 CO -0.11 -0.29 0.38 0.40 -1.65 0.00 0.00 177.43 176.15 2xin h ILE 312 N -0.37 1.26 -0.31 2.81 2.04 -1.47 -2.50 117.51 118.96 2xin h ILE 312 Ca 0.05 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2xin h ILE 312 Cb 0.43 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2xin h ILE 312 CO -0.17 0.31 0.05 -0.09 0.00 0.00 0.00 178.15 178.26 2xin h ARG 313 N 1.17 0.51 -0.06 2.37 2.43 -0.53 -2.14 114.38 118.12 2xin h ARG 313 Ca 0.28 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2xin h ARG 313 Cb 0.14 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2xin h ARG 313 CO -0.03 0.61 0.01 0.52 -1.51 0.00 0.00 179.97 179.56 2xin h MET 314 N 0.34 0.03 0.18 0.20 2.86 -0.64 -0.34 114.93 117.56 2xin h MET 314 Ca 0.09 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2xin h MET 314 Cb 0.34 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2xin h MET 314 CO 0.01 0.02 -0.22 -0.92 1.06 0.00 0.00 176.91 176.86 2xin h TYR 315 N 0.03 -0.58 -0.80 -0.22 5.03 -1.37 -1.76 116.97 117.29 2xin h TYR 315 Ca 0.03 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 2xin h TYR 315 Cb 0.02 0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 2xin h TYR 315 CO -0.10 -0.32 0.43 -0.07 -1.32 0.00 0.00 178.16 176.77 2xin h LEU 316 N -0.45 1.00 -0.51 2.82 3.38 -1.32 0.94 115.31 121.17 2xin h LEU 316 Ca 0.01 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2xin h LEU 316 Cb 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2xin h LEU 316 CO -0.08 0.81 -0.04 -0.07 0.09 0.00 0.00 178.44 179.15 2xin h LEU 317 N 1.12 0.91 -0.59 1.67 3.38 -0.84 -2.59 115.31 118.38 2xin h LEU 317 Ca 0.28 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2xin h LEU 317 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2xin h LEU 317 CO -0.04 1.02 -0.37 -0.07 0.09 0.00 0.00 178.44 179.06 2xin h LEU 318 N 0.79 0.75 -0.49 1.67 3.38 -1.02 -2.91 115.31 117.47 2xin h LEU 318 Ca 0.14 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2xin h LEU 318 Cb 0.57 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2xin h LEU 318 CO 0.03 1.04 0.29 0.50 0.09 0.00 0.00 178.44 180.40 2xin h LYS 319 N 0.59 0.57 -0.60 1.13 3.64 -0.68 0.33 116.57 121.55 2xin h LYS 319 Ca 0.05 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2xin h LYS 319 Cb 0.91 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 2xin h LYS 319 CO 0.08 0.38 0.36 1.49 -2.27 0.00 0.00 179.45 179.49 2xin h GLU 320 N 0.59 0.69 -0.06 1.90 4.81 -1.42 -0.69 114.58 120.39 2xin h GLU 320 Ca 0.20 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 2xin h GLU 320 Cb 0.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2xin h GLU 320 CO -0.09 0.46 -0.76 0.00 -0.73 0.00 0.00 179.01 177.89 2xin h ARG 321 N 0.71 0.38 -0.37 1.92 3.08 -1.31 -2.24 114.38 116.55 2xin h ARG 321 Ca 0.24 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2xin h ARG 321 Cb 0.04 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2xin h ARG 321 CO -0.11 0.97 -0.12 0.00 -1.07 0.00 0.00 179.97 179.64 2xin h ALA 322 N 0.93 0.51 -0.04 0.04 0.00 -0.57 0.15 119.26 120.29 2xin h ALA 322 Ca -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2xin h ALA 322 Cb 1.34 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2xin h ALA 322 CO 0.13 0.40 0.02 0.87 0.00 0.00 0.00 179.25 180.67 2xin h LYS 323 N 0.53 0.05 -0.90 0.00 1.79 -1.14 -2.46 116.57 114.44 2xin h LYS 323 Ca 0.09 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2xin h LYS 323 Cb 0.65 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 2xin h LYS 323 CO 0.04 0.11 0.60 0.00 -1.08 0.00 0.00 179.45 179.12 2xin h ALA 324 N 0.93 1.35 -0.12 3.86 0.00 -1.29 -1.83 119.26 122.17 2xin h ALA 324 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2xin h ALA 324 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2xin h ALA 324 CO -0.00 0.60 0.03 0.35 0.00 0.00 0.00 179.25 180.23 2xin h PHE 325 N 1.22 0.05 0.00 0.00 3.57 -0.62 -2.65 116.94 118.51 2xin h PHE 325 Ca 0.33 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2xin h PHE 325 Cb -0.14 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2xin h PHE 325 CO 0.00 0.02 -0.26 0.00 -2.23 0.00 0.00 178.31 175.85 2xin h ARG 326 N 0.08 0.00 -0.00 1.11 2.47 -1.20 -2.96 114.38 113.89 2xin h ARG 326 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2xin h ARG 326 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2xin h ARG 326 CO -0.06 0.26 -0.16 0.00 0.56 0.00 0.00 179.97 180.56 2xin n ALA 327 N -2.25 2.77 -2.66 0.04 0.00 -0.71 -4.81 120.51 112.89 2xin n ALA 327 Ca -0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2xin n ALA 327 Cb 0.44 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2xin n ALA 327 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xin s ASP 328 N -2.85 6.97 0.45 0.00 2.15 -1.03 -4.95 116.67 117.41 2xin s ASP 328 Ca 0.18 1.19 0.14 0.00 0.43 0.00 0.00 52.55 54.49 2xin s ASP 328 Cb 0.19 -2.47 1.07 0.00 -0.30 0.00 0.00 42.92 41.41 2xin s ASP 328 CO 0.56 -0.47 2.00 -0.65 -0.17 0.00 0.00 175.17 176.44 2xin h PRO 329 N 7.41 0.35 -0.02 4.34 0.11 -1.89 0.69 132.00 142.98 2xin h PRO 329 Ca -0.27 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 2xin h PRO 329 Cb 1.11 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2xin h PRO 329 CO 0.87 0.23 -0.54 0.93 -0.21 0.00 0.00 178.00 179.28 2xin h GLU 330 N 0.36 0.06 -0.11 1.05 5.08 -1.95 -0.90 114.58 118.17 2xin h GLU 330 Ca 0.24 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2xin h GLU 330 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2xin h GLU 330 CO -0.06 0.59 -0.21 0.28 -1.00 0.00 0.00 179.01 178.60 2xin h VAL 331 N 0.05 1.39 -1.01 3.13 2.07 -1.22 -1.16 116.25 119.50 2xin h VAL 331 Ca -0.00 -1.50 0.10 0.00 0.82 0.00 0.00 66.70 66.12 2xin h VAL 331 Cb 0.97 2.10 -0.08 0.00 -1.52 0.00 0.00 31.29 32.76 2xin h VAL 331 CO 0.07 0.43 0.64 1.56 0.02 0.00 0.00 177.57 180.29 2xin h GLN 332 N -0.10 1.03 -0.20 1.57 1.08 -0.96 1.10 115.11 118.62 2xin h GLN 332 Ca 0.00 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 2xin h GLN 332 Cb 0.80 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2xin h GLN 332 CO 0.05 0.68 -0.11 1.49 -0.95 0.00 0.00 178.83 179.99 2xin h GLU 333 N 1.06 0.43 -0.62 1.46 4.81 -1.09 0.69 114.58 121.31 2xin h GLU 333 Ca 0.48 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 2xin h GLU 333 Cb 0.39 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2xin h GLU 333 CO -0.24 0.73 0.11 0.00 -0.73 0.00 0.00 179.01 178.88 2xin h ALA 334 N 0.69 1.02 -0.59 2.92 0.00 0.30 -0.56 119.26 123.05 2xin h ALA 334 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2xin h ALA 334 Cb 0.61 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2xin h ALA 334 CO 0.03 0.63 0.33 -0.07 0.00 0.00 0.00 179.25 180.17 2xin h LEU 335 N 0.95 0.73 -0.17 0.00 3.38 0.13 -1.32 115.31 119.01 2xin h LEU 335 Ca 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2xin h LEU 335 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2xin h LEU 335 CO 0.01 0.60 0.07 0.00 0.09 0.00 0.00 178.44 179.21 2xin h ALA 336 N 1.16 0.22 0.00 1.53 0.00 -0.28 -2.08 119.26 119.81 2xin h ALA 336 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2xin h ALA 336 Cb 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2xin h ALA 336 CO -0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 179.25 178.86 2xin h ALA 337 N 0.92 1.65 -0.00 0.00 0.00 -0.81 -2.52 119.26 118.50 2xin h ALA 337 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2xin h ALA 337 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2xin h ALA 337 CO -0.01 0.19 -0.16 0.43 0.00 0.00 0.00 179.25 179.71 2xin n SER 338 N -4.21 0.35 -2.70 0.00 7.64 -0.52 -4.75 113.62 109.43 2xin n SER 338 Ca -0.02 -0.24 -0.22 0.00 1.01 0.00 0.00 58.87 59.40 2xin n SER 338 Cb 0.23 -0.12 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2xin n SER 338 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2xin n LYS 339 N -1.20 -3.26 -0.14 1.43 5.02 -0.82 -4.91 118.16 114.29 2xin n LYS 339 Ca 0.11 0.97 -0.04 0.00 -2.02 0.00 0.00 58.31 57.32 2xin n LYS 339 Cb 0.30 -5.73 0.04 0.00 -0.02 0.00 0.00 35.03 29.62 2xin n LYS 339 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2xin h VAL 340 N -0.68 0.79 0.00 -0.18 2.07 -1.78 -2.06 116.25 114.40 2xin h VAL 340 Ca -0.51 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2xin h VAL 340 Cb 1.37 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2xin h VAL 340 CO 0.58 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 178.01 2xin h ALA 341 N 1.32 1.06 0.00 1.67 0.00 -1.91 -2.84 119.26 118.56 2xin h ALA 341 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2xin h ALA 341 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2xin h ALA 341 CO -0.27 0.26 0.00 1.49 0.00 0.00 0.00 179.25 180.73 2xin h GLU 342 N 0.00 0.00 0.00 0.00 4.81 -1.76 -1.48 114.58 116.16 2xin h GLU 342 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2xin h GLU 342 Cb 0.67 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2xin h GLU 342 CO 0.03 0.00 -0.26 1.25 -0.73 0.00 0.00 179.01 179.30 2xin h LEU 343 N 0.00 0.00 -0.36 1.64 5.85 -1.55 -2.86 115.31 118.03 2xin h LEU 343 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2xin h LEU 343 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2xin h LEU 343 CO 0.00 0.26 0.00 0.11 -0.34 0.00 0.00 178.44 178.47 2xin h LYS 344 N 0.00 0.00 -5.88 1.25 1.57 -1.46 -3.43 116.57 108.62 2xin h LYS 344 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 2xin h LYS 344 Cb 0.79 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.03 2xin h LYS 344 CO 0.03 0.00 0.12 0.99 -0.57 0.00 0.00 179.45 180.02 2xin s THR 345 N -3.22 5.03 0.43 -0.16 2.01 -1.08 -5.02 115.64 113.63 2xin s THR 345 Ca 0.07 1.34 -0.23 0.00 0.31 0.00 0.00 61.69 63.19 2xin s THR 345 Cb 0.11 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.50 2xin s THR 345 CO 0.51 0.18 0.76 -2.65 -0.69 0.00 0.00 174.62 172.73 2xin n PRO 346 N 4.36 0.89 -0.10 4.92 -0.02 -1.26 -4.89 135.00 138.90 2xin n PRO 346 Ca -0.01 0.32 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2xin n PRO 346 Cb 0.50 -1.76 0.10 0.00 -0.02 0.00 0.00 33.50 32.33 2xin n PRO 346 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2xin h THR 347 N 1.07 1.26 -3.12 3.45 2.02 -1.95 -3.43 112.91 112.21 2xin h THR 347 Ca -0.42 -1.24 -0.59 0.00 0.77 0.00 0.00 66.41 64.93 2xin h THR 347 Cb 1.37 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.84 2xin h THR 347 CO 0.54 0.42 -0.31 -0.76 0.37 0.00 0.00 175.52 175.77 2xin s LEU 348 N -8.99 4.29 0.45 2.58 1.43 -1.26 -5.08 118.68 112.10 2xin s LEU 348 Ca -0.09 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 53.42 2xin s LEU 348 Cb 0.13 -3.17 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 2xin s LEU 348 CO 0.83 0.10 0.97 0.20 0.23 0.00 0.00 176.35 178.67 2xin s ASN 349 N -2.23 6.82 0.03 2.29 0.01 -1.26 -4.94 114.94 115.65 2xin s ASN 349 Ca 0.38 1.70 -0.36 0.00 -0.71 0.00 0.00 52.86 53.86 2xin s ASN 349 Cb -0.13 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 38.84 2xin s ASN 349 CO 0.23 -0.45 1.51 -2.65 -1.51 0.00 0.00 177.10 174.23 2xin n PRO 350 N -0.82 1.48 -0.98 -0.60 -0.02 -1.26 -0.72 135.00 132.07 2xin n PRO 350 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2xin n PRO 350 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2xin n PRO 350 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2xin n GLY 351 N 3.17 0.52 3.78 -1.23 0.00 -1.26 -5.03 105.19 105.15 2xin n GLY 351 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2xin n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xin s GLU 352 N -0.25 4.18 0.01 1.61 2.12 0.10 -5.00 118.70 121.47 2xin s GLU 352 Ca 0.00 0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.90 2xin s GLU 352 Cb 0.00 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 2xin s GLU 352 CO 0.00 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 2xin n GLY 353 N 2.30 4.12 0.32 -1.50 0.00 -1.26 -4.79 105.19 104.38 2xin n GLY 353 Ca -0.10 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 43.90 2xin n GLY 353 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2xin h TYR 354 N 1.02 0.78 -0.64 1.61 -0.00 -1.99 -1.00 116.97 116.76 2xin h TYR 354 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.70 2xin h TYR 354 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 36.73 36.48 2xin h TYR 354 CO 0.00 0.55 0.34 0.00 -0.00 0.00 0.00 178.16 179.05 2xin h ALA 355 N 1.54 0.82 -0.08 0.10 0.00 -1.99 0.22 119.26 119.88 2xin h ALA 355 Ca 0.21 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2xin h ALA 355 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2xin h ALA 355 CO -0.03 0.34 -0.74 0.93 0.00 0.00 0.00 179.25 179.75 2xin h GLU 356 N 0.87 0.42 -0.22 0.00 3.07 -1.80 -2.67 114.58 114.25 2xin h GLU 356 Ca 0.22 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2xin h GLU 356 Cb 0.05 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2xin h GLU 356 CO -0.03 0.99 0.08 1.25 -1.40 0.00 0.00 179.01 179.89 2xin h LEU 357 N 0.29 0.30 -1.86 1.33 5.85 -0.83 -2.22 115.31 118.17 2xin h LEU 357 Ca -0.03 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2xin h LEU 357 Cb 1.32 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2xin h LEU 357 CO 0.13 0.39 0.25 -0.07 -0.34 0.00 0.00 178.44 178.80 2xin h LEU 358 N 0.19 0.15 0.00 2.25 3.38 -0.54 -0.72 115.31 120.02 2xin h LEU 358 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2xin h LEU 358 Cb 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2xin h LEU 358 CO -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 178.44 178.61 2xin n ALA 359 N -2.56 2.33 -2.87 1.53 0.00 -0.86 -4.68 120.51 113.40 2xin n ALA 359 Ca 0.05 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 2xin n ALA 359 Cb 0.31 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 2xin n ALA 359 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xin s ASP 360 N -3.40 6.34 0.55 0.00 2.15 -0.28 -4.88 116.67 117.15 2xin s ASP 360 Ca 0.13 -1.37 0.23 0.00 0.43 0.00 0.00 52.55 51.97 2xin s ASP 360 Cb 0.17 -2.42 1.48 0.00 -0.30 0.00 0.00 42.92 41.85 2xin s ASP 360 CO 0.55 -1.32 2.13 0.03 -0.17 0.00 0.00 175.17 176.40 2xin h ARG 361 N 9.33 0.00 0.00 4.34 3.08 -1.84 -0.25 114.38 129.05 2xin h ARG 361 Ca -0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2xin h ARG 361 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 2xin h ARG 361 CO 1.17 0.00 -0.06 0.66 -1.07 0.00 0.00 179.97 180.67 2xin h SER 362 N 0.00 0.00 0.37 7.04 4.64 -1.90 1.19 113.55 124.89 2xin h SER 362 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2xin h SER 362 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2xin h SER 362 CO -0.00 0.06 -0.05 0.00 -0.87 0.00 0.00 176.83 175.97 2xin n ALA 363 N -2.13 2.65 0.06 5.18 0.00 -0.10 -3.84 120.51 122.32 2xin n ALA 363 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2xin n ALA 363 Cb 0.38 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2xin n ALA 363 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xin n PHE 364 N -1.04 -3.04 -0.32 0.00 7.35 -0.90 -4.86 117.46 114.65 2xin n PHE 364 Ca 0.16 0.41 0.05 0.00 -0.76 0.00 0.00 57.45 57.31 2xin n PHE 364 Cb 0.24 1.39 0.20 0.00 0.35 0.00 0.00 39.48 41.66 2xin n PHE 364 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2xin h GLU 365 N 0.00 0.84 -0.40 -4.13 3.07 -1.39 -2.21 114.58 110.36 2xin h GLU 365 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2xin h GLU 365 Cb 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.72 2xin h GLU 365 CO 0.00 0.55 0.00 -0.25 -1.40 0.00 0.00 179.01 177.91 2xin n ASP 366 N -4.70 3.68 -4.70 1.42 8.00 0.39 -5.00 116.55 115.64 2xin n ASP 366 Ca 0.16 -2.43 -0.42 0.00 0.71 0.00 0.00 54.79 52.81 2xin n ASP 366 Cb 0.32 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2xin n ASP 366 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2xin s TYR 367 N -1.78 3.23 -1.06 1.24 5.04 -0.83 -4.89 117.35 118.30 2xin s TYR 367 Ca 0.36 1.13 -0.12 0.00 -2.44 0.00 0.00 57.07 56.00 2xin s TYR 367 Cb 0.24 -3.51 0.23 0.00 0.35 0.00 0.00 41.96 39.27 2xin s TYR 367 CO 0.16 -1.70 1.12 0.34 -1.34 0.00 0.00 175.55 174.13 2xin s ASP 368 N 1.34 7.09 0.28 4.32 2.15 -1.26 -4.85 116.67 125.74 2xin s ASP 368 Ca 0.60 -3.13 -0.00 0.00 0.43 0.00 0.00 52.55 50.45 2xin s ASP 368 Cb -0.30 -2.27 0.42 0.00 -0.30 0.00 0.00 42.92 40.47 2xin s ASP 368 CO 0.27 -0.53 1.80 0.00 -0.17 0.00 0.00 175.17 176.54 2xin h ALA 369 N 7.21 1.19 -0.63 3.66 0.00 -1.96 -2.15 119.26 126.59 2xin h ALA 369 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2xin h ALA 369 Cb 0.92 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2xin h ALA 369 CO 1.02 0.53 0.41 -0.44 0.00 0.00 0.00 179.25 180.78 2xin h ASP 370 N 0.68 0.73 -0.20 0.00 3.32 -1.98 0.65 116.42 119.61 2xin h ASP 370 Ca 0.14 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2xin h ASP 370 Cb 0.40 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2xin h ASP 370 CO 0.01 0.54 -0.24 0.00 -1.72 0.00 0.00 179.24 177.84 2xin h ALA 371 N 1.22 0.30 -0.32 3.45 0.00 -1.94 -3.02 119.26 118.95 2xin h ALA 371 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2xin h ALA 371 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2xin h ALA 371 CO -0.05 0.27 0.11 0.28 0.00 0.00 0.00 179.25 179.86 2xin h VAL 372 N 0.19 1.20 0.00 0.00 2.07 -1.11 -2.93 116.25 115.67 2xin h VAL 372 Ca 0.03 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2xin h VAL 372 Cb 0.80 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2xin h VAL 372 CO 0.06 0.22 0.00 1.23 0.02 0.00 0.00 177.57 179.09 2xin h GLY 373 N 0.36 0.00 1.17 2.17 0.00 -0.87 -2.23 103.07 103.67 2xin h GLY 373 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2xin h GLY 373 CO -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.93 2xin n ALA 374 N -1.85 2.94 -2.27 3.60 0.00 -1.11 -4.87 120.51 116.95 2xin n ALA 374 Ca -0.02 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 2xin n ALA 374 Cb 0.04 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 2xin n ALA 374 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2xin s LYS 375 N -3.15 4.56 0.57 0.00 1.02 -0.84 -5.06 119.74 116.83 2xin s LYS 375 Ca 0.07 1.17 -0.11 0.00 0.02 0.00 0.00 55.97 57.11 2xin s LYS 375 Cb 0.14 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 2xin s LYS 375 CO 0.72 0.33 0.97 0.20 -0.92 0.00 0.00 175.35 176.65 2xin s GLY 376 N -0.29 1.72 0.00 -3.33 0.00 -1.26 -5.00 107.32 99.15 2xin s GLY 376 Ca 0.40 -0.11 0.22 0.00 0.00 0.00 0.00 44.72 45.23 2xin s GLY 376 CO 0.25 0.14 0.76 0.69 0.00 0.00 0.00 173.10 174.95 2xin n PHE 377 N -2.40 0.08 -3.19 1.90 3.72 -1.26 -4.99 117.46 111.31 2xin n PHE 377 Ca 0.05 0.02 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 2xin n PHE 377 Cb 0.54 -0.32 0.05 0.00 -0.94 0.00 0.00 39.48 38.81 2xin n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xin n GLY 378 N 1.37 -0.26 0.14 1.37 0.00 -1.26 -3.54 105.19 103.00 2xin n GLY 378 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2xin n GLY 378 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2xin h PHE 379 N -1.80 0.17 -0.17 1.61 0.04 -1.95 -2.97 116.94 111.88 2xin h PHE 379 Ca -0.45 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.22 2xin h PHE 379 Cb 1.30 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 2xin h PHE 379 CO 0.41 0.80 0.02 0.28 -0.60 0.00 0.00 178.31 179.22 2xin h VAL 380 N 0.08 1.23 -0.66 -0.55 2.07 -1.99 -1.07 116.25 115.37 2xin h VAL 380 Ca -0.02 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.76 2xin h VAL 380 Cb 1.27 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2xin h VAL 380 CO 0.10 0.23 0.44 0.50 0.02 0.00 0.00 177.57 178.86 2xin h LYS 381 N 0.07 0.87 -0.63 1.57 3.64 -1.97 0.23 116.57 120.34 2xin h LYS 381 Ca 0.05 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2xin h LYS 381 Cb 0.33 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2xin h LYS 381 CO 0.00 0.57 0.39 1.25 -2.27 0.00 0.00 179.45 179.40 2xin h LEU 382 N 0.89 0.75 -0.38 5.20 5.85 -1.35 -1.80 115.31 124.48 2xin h LEU 382 Ca 0.24 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2xin h LEU 382 Cb -0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2xin h LEU 382 CO -0.05 0.57 0.14 -1.13 -0.34 0.00 0.00 178.44 177.63 2xin h ASN 383 N 0.85 0.53 -0.91 1.25 -1.24 -0.35 -2.23 115.58 113.48 2xin h ASN 383 Ca 0.23 -0.18 0.06 0.00 0.71 0.00 0.00 56.30 57.12 2xin h ASN 383 Cb -0.04 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 38.81 2xin h ASN 383 CO -0.04 0.56 0.57 -0.61 -1.29 0.00 0.00 177.43 176.62 2xin h GLN 384 N 0.46 1.01 -0.65 6.67 5.75 -0.31 -1.44 115.11 126.60 2xin h GLN 384 Ca 0.12 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 2xin h GLN 384 Cb 0.21 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 2xin h GLN 384 CO -0.01 0.67 0.14 -0.07 -2.65 0.00 0.00 178.83 176.91 2xin h LEU 385 N 1.04 0.97 0.19 -2.39 3.38 -1.08 -1.10 115.31 116.32 2xin h LEU 385 Ca 0.40 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2xin h LEU 385 Cb 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2xin h LEU 385 CO -0.18 0.94 -0.09 0.00 0.09 0.00 0.00 178.44 179.21 2xin h ALA 386 N 1.17 -0.26 -0.82 1.53 0.00 -0.77 -2.03 119.26 118.09 2xin h ALA 386 Ca 0.20 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2xin h ALA 386 Cb 0.36 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2xin h ALA 386 CO 0.00 -0.62 0.53 0.82 0.00 0.00 0.00 179.25 179.98 2xin h ILE 387 N -0.31 1.14 0.00 0.00 2.04 -1.10 -0.87 117.51 118.41 2xin h ILE 387 Ca -0.03 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 2xin h ILE 387 Cb 0.24 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 2xin h ILE 387 CO 0.04 0.19 -0.24 -0.33 0.00 0.00 0.00 178.15 177.82 2xin h GLU 388 N 1.03 0.00 -0.37 2.37 5.08 -1.08 -0.32 114.58 121.30 2xin h GLU 388 Ca 0.33 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.55 2xin h GLU 388 Cb -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2xin h GLU 388 CO -0.11 0.24 -0.29 0.45 -1.00 0.00 0.00 179.01 178.30 2xin h HIS 389 N 0.00 1.00 -0.58 4.33 3.86 -0.50 0.90 115.15 124.17 2xin h HIS 389 Ca -0.00 -0.28 0.03 0.00 -1.16 0.00 0.00 60.37 58.95 2xin h HIS 389 Cb 0.42 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 2xin h HIS 389 CO 0.00 1.07 0.35 1.25 0.86 0.00 0.00 177.93 181.46 2xin h LEU 390 N 0.65 0.57 0.00 2.43 5.85 -0.29 -0.96 115.31 123.57 2xin h LEU 390 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2xin h LEU 390 Cb 0.86 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2xin h LEU 390 CO 0.08 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.76 2xin n LEU 391 N -4.75 0.00 -1.77 2.25 4.77 -0.22 -4.88 117.00 112.40 2xin n LEU 391 Ca 0.05 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 2xin n LEU 391 Cb 0.08 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2xin n LEU 391 CO 0.32 0.00 -0.20 0.61 -1.33 0.00 0.00 177.39 176.79 2xin n GLY 392 N 0.77 0.10 0.23 -0.72 0.00 -0.36 -4.87 105.19 100.34 2xin n GLY 392 Ca 0.20 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2xin n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xin n ALA 393 N -1.14 2.82 -1.63 4.61 0.00 0.28 -5.03 120.51 120.41 2xin n ALA 393 Ca -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2xin n ALA 393 Cb 0.63 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2xin n ALA 393 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39