#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhw s GLN 4 N 0.00 0.07 0.24 5.55 -0.44 -1.26 -5.07 119.66 118.75 1bhw s GLN 4 Ca 0.00 -0.01 -0.30 0.00 -2.50 0.00 0.00 55.36 52.55 1bhw s GLN 4 Cb 0.00 0.03 -0.09 0.00 -1.64 0.00 0.00 33.01 31.31 1bhw s GLN 4 CO 0.00 -0.01 0.95 0.00 0.50 0.00 0.00 175.29 176.73 1bhw s ALA 5 N -0.11 3.34 0.41 1.58 0.00 -1.26 -5.07 121.76 120.65 1bhw s ALA 5 Ca -0.01 0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1bhw s ALA 5 Cb -0.01 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1bhw s ALA 5 CO 0.00 0.19 0.11 0.95 0.00 0.00 0.00 175.76 177.01 1bhw s THR 6 N -1.18 2.16 -0.01 0.00 -4.23 -1.26 -4.90 115.64 106.22 1bhw s THR 6 Ca 0.41 -1.83 0.32 0.00 -1.18 0.00 0.00 61.69 59.42 1bhw s THR 6 Cb -0.26 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 70.96 1bhw s THR 6 CO 0.32 0.00 1.93 0.03 -0.54 0.00 0.00 174.62 176.37 1bhw h ARG 7 N 1.57 0.00 0.00 3.99 3.08 -1.95 -2.60 114.38 118.47 1bhw h ARG 7 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1bhw h ARG 7 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1bhw h ARG 7 CO 0.75 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.04 1bhw n GLU 8 N -2.94 0.21 0.14 0.04 1.02 -1.26 -2.23 120.64 115.62 1bhw n GLU 8 Ca 0.01 0.37 0.02 0.00 -0.02 0.00 0.00 57.16 57.54 1bhw n GLU 8 Cb 0.30 -1.86 0.14 0.00 -0.02 0.00 0.00 31.44 30.00 1bhw n GLU 8 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bhw h ASP 9 N 0.00 0.00 -5.90 1.62 3.32 -1.87 -3.48 116.42 110.11 1bhw h ASP 9 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1bhw h ASP 9 Cb 0.46 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.11 1bhw h ASP 9 CO 0.00 0.55 -0.82 0.29 -1.72 0.00 0.00 179.24 177.54 1bhw n LYS 10 N -3.44 -4.87 -2.79 3.56 5.02 -0.95 -4.57 118.16 110.13 1bhw n LYS 10 Ca 0.00 0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 56.58 1bhw n LYS 10 Cb 0.67 -5.38 -0.03 0.00 -0.02 0.00 0.00 35.03 30.27 1bhw n LYS 10 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1bhw s PHE 11 N -3.54 3.46 0.18 2.13 0.08 -1.26 -0.95 117.98 118.09 1bhw s PHE 11 Ca 0.08 1.43 0.07 0.00 0.12 0.00 0.00 56.93 58.63 1bhw s PHE 11 Cb -0.02 -3.10 -0.05 0.00 -0.57 0.00 0.00 43.02 39.28 1bhw s PHE 11 CO 0.78 -0.24 -0.13 -1.54 -0.10 0.00 0.00 175.22 173.99 1bhw s SER 12 N 1.12 2.34 0.01 1.36 1.04 -0.96 0.14 113.70 118.74 1bhw s SER 12 Ca 0.43 -1.00 -0.04 0.00 0.48 0.00 0.00 55.95 55.83 1bhw s SER 12 Cb -0.17 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 1bhw s SER 12 CO 0.15 -0.21 0.06 -0.36 0.98 0.00 0.00 173.24 173.86 1bhw s PHE 13 N -2.99 0.13 0.33 5.02 0.40 -1.17 -1.92 117.98 117.78 1bhw s PHE 13 Ca 0.20 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 56.08 1bhw s PHE 13 Cb -0.00 -0.11 -0.09 0.00 0.51 0.00 0.00 43.02 43.33 1bhw s PHE 13 CO 0.05 -0.22 0.76 0.20 0.70 0.00 0.00 175.22 176.70 1bhw s GLY 14 N -1.30 2.36 0.42 4.36 0.00 -1.25 -1.72 107.32 110.19 1bhw s GLY 14 Ca -0.14 0.09 0.09 0.00 0.00 0.00 0.00 44.72 44.77 1bhw s GLY 14 CO 0.00 0.32 2.03 -2.00 0.00 0.00 0.00 173.10 173.45 1bhw h LEU 15 N 2.32 0.30 0.00 0.66 5.85 -1.52 -1.76 115.31 121.17 1bhw h LEU 15 Ca -0.48 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1bhw h LEU 15 Cb 1.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1bhw h LEU 15 CO 0.65 0.30 0.00 -2.67 -0.34 0.00 0.00 178.44 176.38 1bhw n TRP 16 N -4.42 0.00 0.00 1.25 2.14 -1.26 -2.10 117.44 113.05 1bhw n TRP 16 Ca 0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.58 1bhw n TRP 16 Cb 0.14 -0.42 0.00 0.00 -0.81 0.00 0.00 31.31 30.22 1bhw n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1bhw n THR 17 N -1.42 0.00 0.29 -1.67 -2.24 -0.66 -2.72 114.28 105.86 1bhw n THR 17 Ca 0.08 0.17 0.18 0.00 -2.27 0.00 0.00 64.05 62.22 1bhw n THR 17 Cb 0.25 -0.48 0.94 0.00 -2.10 0.00 0.00 70.33 68.94 1bhw n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1bhw h VAL 18 N 0.00 0.00 -0.01 2.28 -1.51 -1.72 -1.29 116.25 114.00 1bhw h VAL 18 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1bhw h VAL 18 Cb 0.00 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 1bhw h VAL 18 CO 0.00 0.00 -0.07 0.61 -1.23 0.00 0.00 177.57 176.88 1bhw n GLY 19 N -0.89 -0.18 3.67 5.19 0.00 -0.89 -4.91 105.19 107.18 1bhw n GLY 19 Ca -0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1bhw n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bhw s TRP 20 N -2.15 2.04 -1.22 1.61 -0.00 -0.49 -4.58 118.94 114.16 1bhw s TRP 20 Ca 0.34 0.18 0.27 0.00 -0.00 0.00 0.00 56.10 56.90 1bhw s TRP 20 Cb 0.20 -3.95 1.27 0.00 -0.00 0.00 0.00 33.47 31.00 1bhw s TRP 20 CO 0.39 -3.96 1.90 1.04 -0.00 0.00 0.00 176.95 176.32 1bhw n GLN 21 N 6.76 0.20 -2.62 5.86 6.02 -1.26 -4.90 117.38 127.44 1bhw n GLN 21 Ca 0.17 0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 57.12 1bhw n GLN 21 Cb 0.42 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.20 1bhw n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bhw n ALA 22 N -1.39 -0.35 -2.57 -1.58 0.00 -1.26 -1.07 120.51 112.29 1bhw n ALA 22 Ca 0.10 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1bhw n ALA 22 Cb 0.26 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 1bhw n ALA 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1bhw s ARG 23 N -5.07 3.65 0.10 0.00 3.52 -1.26 -4.05 118.95 115.84 1bhw s ARG 23 Ca 0.13 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.92 1bhw s ARG 23 Cb -0.06 -3.85 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 1bhw s ARG 23 CO 0.16 -0.93 0.09 -0.40 -0.81 0.00 0.00 175.30 173.41 1bhw n ASP 24 N 6.50 1.03 0.30 -2.12 5.68 -0.74 -4.92 116.55 122.28 1bhw n ASP 24 Ca 0.03 -1.32 0.18 0.00 -0.50 0.00 0.00 54.79 53.18 1bhw n ASP 24 Cb 0.48 -0.03 0.96 0.00 -1.14 0.00 0.00 41.12 41.40 1bhw n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bhw h ALA 25 N 0.64 1.17 -0.06 2.12 0.00 -2.01 -3.12 119.26 118.00 1bhw h ALA 25 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bhw h ALA 25 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bhw h ALA 25 CO 0.09 0.04 0.00 1.19 0.00 0.00 0.00 179.25 180.57 1bhw n PHE 26 N -3.36 0.08 -3.64 0.00 3.01 -1.26 -5.09 117.46 107.20 1bhw n PHE 26 Ca -0.02 -0.48 -0.06 0.00 1.01 0.00 0.00 57.45 57.90 1bhw n PHE 26 Cb 0.15 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.56 1bhw n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1bhw s GLY 27 N -0.97 -0.34 0.79 1.37 0.00 -1.18 -5.17 107.32 101.82 1bhw s GLY 27 Ca 0.04 0.46 -0.11 0.00 0.00 0.00 0.00 44.72 45.10 1bhw s GLY 27 CO 0.03 0.13 1.10 0.99 0.00 0.00 0.00 173.10 175.35 1bhw s ASP 28 N -2.75 4.61 0.36 1.64 1.01 -1.26 -1.80 116.67 118.47 1bhw s ASP 28 Ca 0.09 1.28 -0.28 0.00 0.71 0.00 0.00 52.55 54.34 1bhw s ASP 28 Cb -0.01 -2.01 -0.11 0.00 1.01 0.00 0.00 42.92 41.79 1bhw s ASP 28 CO -0.03 -1.89 1.45 0.00 0.21 0.00 0.00 175.17 174.91 1bhw s ALA 29 N -3.19 3.56 -1.36 5.23 0.00 -1.26 -4.34 121.76 120.41 1bhw s ALA 29 Ca 0.60 1.50 0.14 0.00 0.00 0.00 0.00 51.96 54.20 1bhw s ALA 29 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.42 1bhw s ALA 29 CO 0.54 -0.96 0.80 0.25 0.00 0.00 0.00 175.76 176.39 1bhw n THR 30 N 0.61 0.00 -4.13 0.00 -2.24 -0.23 -4.90 114.28 103.39 1bhw n THR 30 Ca 0.01 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 1bhw n THR 30 Cb 0.40 1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 69.70 1bhw n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bhw s ARG 31 N -1.59 0.68 0.82 -0.78 0.52 -0.89 -4.97 118.95 112.75 1bhw s ARG 31 Ca 0.12 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 1bhw s ARG 31 Cb 0.11 -0.58 0.09 0.00 0.52 0.00 0.00 34.95 35.09 1bhw s ARG 31 CO 0.31 0.12 1.15 0.95 0.02 0.00 0.00 175.30 177.85 1bhw s THR 32 N -1.28 2.31 0.43 0.02 -4.23 -1.26 -4.73 115.64 106.90 1bhw s THR 32 Ca -0.05 0.10 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 1bhw s THR 32 Cb -0.10 -3.01 -0.08 0.00 1.34 0.00 0.00 72.50 70.66 1bhw s THR 32 CO 0.01 -0.13 1.30 0.00 -0.54 0.00 0.00 174.62 175.26 1bhw s ALA 33 N -3.42 3.17 -0.14 3.99 0.00 -1.26 -4.84 121.76 119.26 1bhw s ALA 33 Ca 0.62 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.66 1bhw s ALA 33 Cb -0.12 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1bhw s ALA 33 CO 0.51 -0.88 0.29 -1.17 0.00 0.00 0.00 175.76 174.51 1bhw s LEU 34 N -2.64 4.28 -0.02 0.00 2.96 -1.26 -5.05 118.68 116.94 1bhw s LEU 34 Ca 0.60 0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 54.75 1bhw s LEU 34 Cb -0.37 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1bhw s LEU 34 CO 0.47 0.14 1.09 -0.62 -1.32 0.00 0.00 176.35 176.11 1bhw s ASP 35 N 0.21 7.21 0.31 3.68 2.15 -1.26 -4.94 116.67 124.02 1bhw s ASP 35 Ca 0.17 1.75 0.02 0.00 0.43 0.00 0.00 52.55 54.92 1bhw s ASP 35 Cb -0.13 -2.57 0.58 0.00 -0.30 0.00 0.00 42.92 40.50 1bhw s ASP 35 CO 0.05 -0.42 1.90 -0.65 -0.17 0.00 0.00 175.17 175.88 1bhw h PRO 36 N 7.00 0.94 -0.51 4.34 0.11 -1.97 0.11 132.00 142.03 1bhw h PRO 36 Ca -0.38 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1bhw h PRO 36 Cb 1.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1bhw h PRO 36 CO 0.81 0.62 -0.04 0.28 -0.21 0.00 0.00 178.00 179.47 1bhw h VAL 37 N 0.97 1.27 -0.55 3.15 2.07 -1.93 -1.07 116.25 120.15 1bhw h VAL 37 Ca 0.40 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1bhw h VAL 37 Cb 0.29 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1bhw h VAL 37 CO -0.16 0.40 0.19 -0.08 0.02 0.00 0.00 177.57 177.94 1bhw h GLU 38 N 0.79 0.85 -0.40 1.57 4.81 -1.70 -1.52 114.58 118.98 1bhw h GLU 38 Ca 0.14 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1bhw h GLU 38 Cb 0.57 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 1bhw h GLU 38 CO 0.03 0.76 0.12 0.00 -0.73 0.00 0.00 179.01 179.20 1bhw h ALA 39 N 1.04 0.46 -0.40 2.92 0.00 -0.51 0.80 119.26 123.57 1bhw h ALA 39 Ca 0.18 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1bhw h ALA 39 Cb 0.26 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1bhw h ALA 39 CO -0.01 -0.28 0.09 0.28 0.00 0.00 0.00 179.25 179.33 1bhw h VAL 40 N 0.27 0.80 -0.02 0.00 2.07 -0.78 -0.21 116.25 118.38 1bhw h VAL 40 Ca 0.19 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1bhw h VAL 40 Cb 0.20 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1bhw h VAL 40 CO -0.21 0.04 0.01 0.45 0.02 0.00 0.00 177.57 177.87 1bhw h HIS 41 N 0.22 0.02 -0.40 1.57 -0.00 -0.42 -1.01 115.15 115.13 1bhw h HIS 41 Ca 0.19 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1bhw h HIS 41 Cb 0.23 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1bhw h HIS 41 CO -0.20 0.13 0.25 0.87 -0.00 0.00 0.00 177.93 178.98 1bhw h LYS 42 N -0.09 0.54 -0.56 2.45 1.79 -0.54 -2.13 116.57 118.04 1bhw h LYS 42 Ca 0.01 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1bhw h LYS 42 Cb 0.11 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1bhw h LYS 42 CO -0.00 0.39 0.09 -0.07 -1.08 0.00 0.00 179.45 178.78 1bhw h LEU 43 N 0.54 0.89 -0.93 2.94 3.38 -1.04 -2.57 115.31 118.52 1bhw h LEU 43 Ca 0.15 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1bhw h LEU 43 Cb -0.02 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 1bhw h LEU 43 CO -0.03 0.92 0.59 0.00 0.09 0.00 0.00 178.44 180.01 1bhw h ALA 44 N 1.00 1.27 -0.27 1.53 0.00 -0.92 -2.35 119.26 119.52 1bhw h ALA 44 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1bhw h ALA 44 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bhw h ALA 44 CO 0.01 0.37 -0.18 1.49 0.00 0.00 0.00 179.25 180.94 1bhw h GLU 45 N 1.08 0.48 -0.00 0.00 4.81 -1.13 -3.07 114.58 116.74 1bhw h GLU 45 Ca 0.40 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1bhw h GLU 45 Cb 0.15 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1bhw h GLU 45 CO -0.17 0.64 -0.27 0.44 -0.73 0.00 0.00 179.01 178.93 1bhw n ILE 46 N -4.17 0.00 0.00 2.32 -5.35 -0.92 -4.96 119.36 106.28 1bhw n ILE 46 Ca 0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1bhw n ILE 46 Cb 0.36 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1bhw n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bhw n GLY 47 N 1.44 0.96 3.75 3.28 0.00 -1.07 -4.85 105.19 108.70 1bhw n GLY 47 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1bhw n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 48 N -2.00 2.64 -0.46 4.61 0.00 -0.97 -4.66 121.76 120.92 1bhw s ALA 48 Ca 0.00 1.07 0.16 0.00 0.00 0.00 0.00 51.96 53.19 1bhw s ALA 48 Cb 0.00 -3.47 -0.20 0.00 0.00 0.00 0.00 23.12 19.45 1bhw s ALA 48 CO 0.00 -1.15 0.55 2.48 0.00 0.00 0.00 175.76 177.63 1bhw n TYR 49 N -1.35 0.00 -3.75 0.00 4.11 0.12 -4.62 117.16 111.67 1bhw n TYR 49 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.93 1bhw n TYR 49 Cb 0.48 -0.15 -0.04 0.00 -0.00 0.00 0.00 39.34 39.64 1bhw n TYR 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1bhw s GLY 50 N -3.04 -0.06 0.07 -7.48 0.00 -1.21 -2.49 107.32 93.11 1bhw s GLY 50 Ca 0.01 -0.26 0.04 0.00 0.00 0.00 0.00 44.72 44.51 1bhw s GLY 50 CO 0.66 -0.29 -0.11 -1.50 0.00 0.00 0.00 173.10 171.86 1bhw s ILE 51 N -3.88 0.87 0.28 0.90 2.07 -0.52 -3.03 121.20 117.89 1bhw s ILE 51 Ca 0.10 -1.32 0.02 0.00 -1.41 0.00 0.00 60.65 58.04 1bhw s ILE 51 Cb -0.01 -0.99 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 1bhw s ILE 51 CO -0.03 -0.37 0.10 0.42 -1.91 0.00 0.00 174.94 173.16 1bhw s THR 52 N -1.62 0.61 -0.09 4.00 -4.23 -0.70 -4.07 115.64 109.54 1bhw s THR 52 Ca -0.03 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.16 1bhw s THR 52 Cb -0.08 -2.63 0.12 0.00 1.34 0.00 0.00 72.50 71.25 1bhw s THR 52 CO 0.01 0.00 1.14 0.72 -0.54 0.00 0.00 174.62 175.95 1bhw s PHE 53 N -3.66 -0.15 0.16 3.99 -0.71 -1.26 -1.11 117.98 115.23 1bhw s PHE 53 Ca 0.37 0.05 -0.06 0.00 -1.04 0.00 0.00 56.93 56.25 1bhw s PHE 53 Cb 0.07 0.54 -0.06 0.00 -1.21 0.00 0.00 43.02 42.36 1bhw s PHE 53 CO 0.14 -0.34 0.41 -1.01 -1.34 0.00 0.00 175.22 173.08 1bhw s HIS 54 N -2.63 3.47 0.18 3.49 3.76 -1.26 -1.80 115.29 120.50 1bhw s HIS 54 Ca 0.10 0.62 -0.25 0.00 -0.15 0.00 0.00 55.06 55.38 1bhw s HIS 54 Cb 0.00 -2.06 0.06 0.00 1.11 0.00 0.00 32.58 31.69 1bhw s HIS 54 CO -0.05 0.41 1.56 0.38 -0.85 0.00 0.00 174.74 176.19 1bhw h ASP 55 N 2.81 -1.62 0.25 1.40 2.03 -1.85 0.26 116.42 119.70 1bhw h ASP 55 Ca -0.46 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1bhw h ASP 55 Cb 1.17 0.75 0.00 0.00 -0.83 0.00 0.00 39.33 40.42 1bhw h ASP 55 CO 0.72 -0.31 0.00 0.47 -1.03 0.00 0.00 179.24 179.09 1bhw n ASP 56 N -5.39 0.00 0.07 4.15 8.00 -1.25 -1.63 116.55 120.50 1bhw n ASP 56 Ca 0.04 0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.67 1bhw n ASP 56 Cb 0.34 -0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 40.89 1bhw n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1bhw h ASP 57 N 0.00 0.58 0.00 -2.24 3.32 -1.33 -3.39 116.42 113.36 1bhw h ASP 57 Ca 0.00 -0.92 -0.00 0.00 0.02 0.00 0.00 57.03 56.12 1bhw h ASP 57 Cb 0.13 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1bhw h ASP 57 CO 0.00 1.57 -0.00 0.25 -1.72 0.00 0.00 179.24 179.33 1bhw h LEU 58 N -0.17 0.00 -8.33 1.55 5.85 -1.39 -3.45 115.31 109.38 1bhw h LEU 58 Ca -0.23 -0.48 -0.66 0.00 0.84 0.00 0.00 57.88 57.35 1bhw h LEU 58 Cb 1.86 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 42.61 1bhw h LEU 58 CO 0.17 0.74 -0.72 -0.69 -0.34 0.00 0.00 178.44 177.61 1bhw s VAL 59 N -1.87 3.30 0.23 1.05 1.01 -0.65 -5.01 120.40 118.46 1bhw s VAL 59 Ca -0.09 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 1bhw s VAL 59 Cb -0.01 -2.57 -0.14 0.00 0.00 0.00 0.00 36.38 33.65 1bhw s VAL 59 CO 0.33 0.32 1.30 -2.65 0.00 0.00 0.00 175.10 174.41 1bhw n PRO 60 N 4.77 1.73 -1.64 2.72 -0.02 -1.26 -3.97 135.00 137.33 1bhw n PRO 60 Ca -0.17 0.62 -0.50 0.00 -2.02 0.00 0.00 63.50 61.42 1bhw n PRO 60 Cb 0.49 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1bhw n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bhw n PHE 61 N 1.62 1.93 -2.61 6.00 -0.00 -1.26 -2.13 117.46 121.02 1bhw n PHE 61 Ca 0.12 0.43 -0.06 0.00 -0.00 0.00 0.00 57.45 57.94 1bhw n PHE 61 Cb 0.30 -2.46 0.02 0.00 -0.00 0.00 0.00 39.48 37.34 1bhw n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1bhw n GLY 62 N 3.22 0.38 3.87 7.13 0.00 -1.26 -5.05 105.19 113.48 1bhw n GLY 62 Ca 0.19 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1bhw n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhw s SER 63 N -3.23 6.58 0.82 1.61 0.01 -0.91 -5.07 113.70 113.51 1bhw s SER 63 Ca 0.08 0.68 -0.11 0.00 1.31 0.00 0.00 55.95 57.91 1bhw s SER 63 Cb -0.04 -2.14 0.08 0.00 0.21 0.00 0.00 66.02 64.13 1bhw s SER 63 CO 0.20 0.31 1.09 1.51 0.41 0.00 0.00 173.24 176.77 1bhw s ASP 64 N -1.32 4.22 0.22 2.44 -4.77 -1.26 -4.79 116.67 111.40 1bhw s ASP 64 Ca 0.23 1.50 -0.08 0.00 -3.30 0.00 0.00 52.55 50.90 1bhw s ASP 64 Cb -0.14 -2.23 0.32 0.00 -1.09 0.00 0.00 42.92 39.79 1bhw s ASP 64 CO 0.12 -2.17 1.73 0.00 0.70 0.00 0.00 175.17 175.55 1bhw h ALA 65 N -1.22 0.82 0.26 2.11 0.00 -1.99 -1.30 119.26 117.94 1bhw h ALA 65 Ca -0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1bhw h ALA 65 Cb 1.26 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1bhw h ALA 65 CO 0.56 -0.23 -0.25 -0.56 0.00 0.00 0.00 179.25 178.77 1bhw h GLN 66 N 0.37 -0.52 0.06 0.00 -0.00 -1.99 -1.16 115.11 111.86 1bhw h GLN 66 Ca 0.33 0.04 0.02 0.00 -0.00 0.00 0.00 58.65 59.03 1bhw h GLN 66 Cb 0.46 0.12 -0.02 0.00 -0.00 0.00 0.00 27.48 28.03 1bhw h GLN 66 CO -0.36 -0.35 -0.15 1.15 -0.00 0.00 0.00 178.83 179.12 1bhw h THR 67 N -0.54 0.64 -0.39 1.86 2.02 -1.84 -1.21 112.91 113.44 1bhw h THR 67 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1bhw h THR 67 Cb 0.49 0.64 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 1bhw h THR 67 CO -0.05 0.00 -0.22 -0.09 0.37 0.00 0.00 175.52 175.54 1bhw h ARG 68 N -0.28 -0.15 -0.92 6.66 2.43 -1.14 -0.22 114.38 120.75 1bhw h ARG 68 Ca 0.03 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1bhw h ARG 68 Cb 0.32 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 1bhw h ARG 68 CO -0.11 -0.10 0.58 -0.44 -1.51 0.00 0.00 179.97 178.39 1bhw h ASP 69 N -0.15 0.90 -0.16 -3.80 3.32 -1.04 -1.50 116.42 113.99 1bhw h ASP 69 Ca 0.19 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1bhw h ASP 69 Cb 0.45 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1bhw h ASP 69 CO -0.48 0.56 0.09 1.23 -1.72 0.00 0.00 179.24 178.91 1bhw h GLY 70 N 1.03 0.24 0.87 2.75 0.00 0.08 -2.16 103.07 105.88 1bhw h GLY 70 Ca 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1bhw h GLY 70 CO -0.19 0.11 0.06 -2.22 0.00 0.00 0.00 176.54 174.30 1bhw h ILE 71 N 0.15 1.20 -0.32 2.60 2.04 -0.63 -2.82 117.51 119.73 1bhw h ILE 71 Ca 0.06 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1bhw h ILE 71 Cb 0.08 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1bhw h ILE 71 CO -0.01 0.21 0.18 0.40 0.00 0.00 0.00 178.15 178.93 1bhw h ILE 72 N 0.20 1.03 -0.83 -0.67 2.04 -1.27 -0.14 117.51 117.86 1bhw h ILE 72 Ca 0.07 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1bhw h ILE 72 Cb 0.26 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1bhw h ILE 72 CO -0.00 0.07 0.53 0.00 0.00 0.00 0.00 178.15 178.74 1bhw h ALA 73 N 1.14 1.37 -0.31 1.87 0.00 -1.37 0.15 119.26 122.12 1bhw h ALA 73 Ca 0.13 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1bhw h ALA 73 Cb 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1bhw h ALA 73 CO -0.06 0.57 -0.41 0.78 0.00 0.00 0.00 179.25 180.12 1bhw h GLY 74 N 1.14 0.90 0.98 0.00 0.00 -1.22 -2.70 103.07 102.17 1bhw h GLY 74 Ca 0.30 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1bhw h GLY 74 CO -0.06 0.88 0.25 -2.75 0.00 0.00 0.00 176.54 174.86 1bhw h PHE 75 N 0.60 0.55 -0.60 5.60 3.57 -0.58 -2.14 116.94 123.94 1bhw h PHE 75 Ca 0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1bhw h PHE 75 Cb 1.00 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1bhw h PHE 75 CO 0.07 0.40 0.31 0.87 -2.23 0.00 0.00 178.31 177.73 1bhw h LYS 76 N 0.55 0.83 -0.30 1.11 1.57 -0.66 -2.22 116.57 117.45 1bhw h LYS 76 Ca 0.15 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1bhw h LYS 76 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1bhw h LYS 76 CO -0.03 0.63 0.02 0.87 -0.57 0.00 0.00 179.45 180.38 1bhw h LYS 77 N 0.84 0.52 -0.94 3.15 1.57 -1.17 -1.43 116.57 119.11 1bhw h LYS 77 Ca 0.21 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1bhw h LYS 77 Cb 0.06 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1bhw h LYS 77 CO -0.03 0.64 0.58 0.00 -0.57 0.00 0.00 179.45 180.07 1bhw h ALA 78 N 0.86 1.20 -0.57 3.86 0.00 -1.03 1.00 119.26 124.56 1bhw h ALA 78 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bhw h ALA 78 Cb 0.39 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1bhw h ALA 78 CO 0.01 0.64 0.29 -0.07 0.00 0.00 0.00 179.25 180.12 1bhw h LEU 79 N 1.29 0.74 0.32 0.00 3.38 -1.26 -1.09 115.31 118.68 1bhw h LEU 79 Ca 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1bhw h LEU 79 Cb -0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1bhw h LEU 79 CO -0.07 0.64 -0.41 0.44 0.09 0.00 0.00 178.44 179.14 1bhw h ASP 80 N 0.78 -1.15 -0.46 -0.43 3.32 -0.77 0.98 116.42 118.69 1bhw h ASP 80 Ca 0.20 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.37 1bhw h ASP 80 Cb 0.09 0.40 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1bhw h ASP 80 CO -0.03 -0.54 0.29 -0.08 -1.72 0.00 0.00 179.24 177.16 1bhw h GLU 81 N -0.78 0.56 0.00 3.56 4.81 -0.76 -3.26 114.58 118.71 1bhw h GLU 81 Ca -0.02 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1bhw h GLU 81 Cb 0.72 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1bhw h GLU 81 CO -0.12 0.37 -1.14 1.79 -0.73 0.00 0.00 179.01 179.19 1bhw h THR 82 N 0.58 0.47 0.00 0.32 1.35 -1.04 -3.49 112.91 111.11 1bhw h THR 82 Ca 0.18 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1bhw h THR 82 Cb -0.02 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1bhw h THR 82 CO -0.06 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1bhw n GLY 83 N 1.32 0.74 3.83 5.82 0.00 0.34 -5.03 105.19 112.21 1bhw n GLY 83 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1bhw n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bhw s LEU 84 N 0.00 4.04 0.44 0.99 1.02 -1.13 -4.94 118.68 119.09 1bhw s LEU 84 Ca 0.00 1.48 0.07 0.00 0.02 0.00 0.00 54.13 55.70 1bhw s LEU 84 Cb 0.00 -4.24 -0.04 0.00 0.02 0.00 0.00 46.19 41.93 1bhw s LEU 84 CO 0.00 -0.25 0.19 0.27 0.02 0.00 0.00 176.35 176.58 1bhw s ILE 85 N -2.02 2.14 -0.51 -0.59 -4.36 -1.04 -4.68 121.20 110.14 1bhw s ILE 85 Ca 0.57 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 59.29 1bhw s ILE 85 Cb -0.10 -2.83 0.13 0.00 1.25 0.00 0.00 42.46 40.91 1bhw s ILE 85 CO 0.16 0.00 0.26 -0.69 0.24 0.00 0.00 174.94 174.91 1bhw s VAL 86 N -2.64 2.80 0.31 8.37 1.01 -1.26 -1.44 120.40 127.56 1bhw s VAL 86 Ca 0.37 -3.06 0.11 0.00 0.00 0.00 0.00 61.98 59.40 1bhw s VAL 86 Cb 0.03 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1bhw s VAL 86 CO 0.21 -0.78 1.70 -0.65 0.00 0.00 0.00 175.10 175.58 1bhw h PRO 87 N 6.82 0.00 -3.50 2.72 0.11 -1.89 -3.06 132.00 133.20 1bhw h PRO 87 Ca -0.06 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 1bhw h PRO 87 Cb 0.93 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.85 1bhw h PRO 87 CO 0.67 0.51 -0.40 1.41 -0.21 0.00 0.00 178.00 179.98 1bhw s MET 88 N -3.85 0.65 0.09 1.05 -2.45 -1.26 -1.98 119.30 111.54 1bhw s MET 88 Ca -0.02 -0.54 0.02 0.00 -1.25 0.00 0.00 55.69 53.90 1bhw s MET 88 Cb 0.13 0.27 -0.04 0.00 1.25 0.00 0.00 34.83 36.45 1bhw s MET 88 CO 0.75 -0.18 -0.07 0.14 1.05 0.00 0.00 175.02 176.71 1bhw s VAL 89 N -2.19 0.69 0.24 10.11 -7.23 -0.95 -4.17 120.40 116.89 1bhw s VAL 89 Ca -0.08 -1.77 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1bhw s VAL 89 Cb -0.03 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 1bhw s VAL 89 CO -0.02 -0.77 0.30 0.28 -0.31 0.00 0.00 175.10 174.58 1bhw s THR 90 N -3.17 0.00 0.01 5.32 -1.32 -0.74 -1.79 115.64 113.94 1bhw s THR 90 Ca 0.08 -1.75 0.07 0.00 -1.21 0.00 0.00 61.69 58.88 1bhw s THR 90 Cb 0.02 -2.41 -0.02 0.00 -1.51 0.00 0.00 72.50 68.59 1bhw s THR 90 CO -0.04 0.00 -0.21 -0.89 -2.21 0.00 0.00 174.62 171.27 1bhw s THR 91 N -3.97 1.68 -0.44 5.08 2.01 -1.26 -2.65 115.64 116.09 1bhw s THR 91 Ca 0.32 -1.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 1bhw s THR 91 Cb 0.03 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1bhw s THR 91 CO 0.13 0.36 0.88 0.21 -0.69 0.00 0.00 174.62 175.50 1bhw s ASN 92 N -0.81 6.50 -0.22 3.53 3.84 -1.26 -4.85 114.94 121.67 1bhw s ASN 92 Ca 0.08 0.12 0.11 0.00 0.21 0.00 0.00 52.86 53.37 1bhw s ASN 92 Cb -0.08 -2.43 0.43 0.00 -0.55 0.00 0.00 41.25 38.61 1bhw s ASN 92 CO 0.00 -0.98 1.21 0.18 -2.79 0.00 0.00 177.10 174.73 1bhw n LEU 93 N 6.97 3.04 0.00 3.21 4.77 -1.26 -4.75 117.00 128.97 1bhw n LEU 93 Ca 0.05 -4.02 0.00 0.00 -0.03 0.00 0.00 56.01 52.01 1bhw n LEU 93 Cb 0.48 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1bhw n LEU 93 CO 0.61 1.51 -0.12 2.22 -1.33 0.00 0.00 177.39 180.29 1bhw n PHE 94 N -1.04 0.00 0.07 -1.77 1.16 -1.26 -4.39 117.46 110.24 1bhw n PHE 94 Ca 0.23 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.71 1bhw n PHE 94 Cb 0.74 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.54 1bhw n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1bhw h THR 95 N 0.00 0.66 -3.81 1.97 2.02 -1.93 -3.45 112.91 108.36 1bhw h THR 95 Ca 0.00 -1.03 -0.54 0.00 0.77 0.00 0.00 66.41 65.60 1bhw h THR 95 Cb 0.17 1.11 0.11 0.00 -1.74 0.00 0.00 68.15 67.80 1bhw h THR 95 CO 0.00 0.17 0.75 1.57 0.37 0.00 0.00 175.52 178.38 1bhw n HIS 96 N -4.96 2.90 -0.34 3.16 -0.00 -1.26 -4.89 115.22 109.84 1bhw n HIS 96 Ca -0.07 0.45 0.33 0.00 0.46 0.00 0.00 57.72 58.89 1bhw n HIS 96 Cb 0.25 -2.52 0.70 0.00 -0.12 0.00 0.00 29.99 28.30 1bhw n HIS 96 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1bhw h PRO 97 N 2.98 0.08 -0.09 1.57 0.11 -2.03 -2.03 132.00 132.59 1bhw h PRO 97 Ca -0.50 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1bhw h PRO 97 Cb 1.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bhw h PRO 97 CO 0.64 0.05 0.08 -0.24 -0.21 0.00 0.00 178.00 178.32 1bhw h VAL 98 N 0.08 0.75 -0.37 3.15 3.04 -1.97 -2.33 116.25 118.60 1bhw h VAL 98 Ca 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.28 1bhw h VAL 98 Cb 2.18 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1bhw h VAL 98 CO -0.08 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.97 1bhw n PHE 99 N -4.21 1.06 0.16 3.17 3.72 -0.76 -4.55 117.46 116.04 1bhw n PHE 99 Ca -0.01 -0.39 0.15 0.00 -0.05 0.00 0.00 57.45 57.15 1bhw n PHE 99 Cb 0.19 -0.25 0.73 0.00 -0.94 0.00 0.00 39.48 39.22 1bhw n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bhw h LYS 100 N 2.44 0.00 -0.33 -1.08 2.10 -1.59 -0.33 116.57 117.78 1bhw h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bhw h LYS 100 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1bhw h LYS 100 CO 0.21 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.19 1bhw n ASP 101 N -4.21 2.91 0.00 7.07 2.03 -1.26 -5.01 116.55 118.07 1bhw n ASP 101 Ca 0.02 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.43 1bhw n ASP 101 Cb 0.33 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1bhw n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bhw n GLY 102 N 0.75 1.63 0.00 0.27 0.00 -0.13 -3.96 105.19 103.74 1bhw n GLY 102 Ca 0.13 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1bhw n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhw n GLY 103 N -0.84 -0.25 0.26 -0.02 0.00 -1.26 -4.27 105.19 98.81 1bhw n GLY 103 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1bhw n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bhw h PHE 104 N 0.00 0.03 -0.12 1.61 0.04 -1.87 -2.95 116.94 113.68 1bhw h PHE 104 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1bhw h PHE 104 Cb 0.00 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1bhw h PHE 104 CO 0.00 0.04 -0.11 0.25 -0.60 0.00 0.00 178.31 177.89 1bhw n THR 105 N -4.51 2.16 -1.72 -1.55 -2.24 -1.26 -4.53 114.28 100.62 1bhw n THR 105 Ca -0.03 -2.45 -0.40 0.00 -2.27 0.00 0.00 64.05 58.91 1bhw n THR 105 Cb 0.11 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1bhw n THR 105 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1bhw n SER 106 N -1.11 2.78 -0.10 3.42 2.88 -1.11 -4.84 113.62 115.54 1bhw n SER 106 Ca 0.21 1.09 0.05 0.00 -1.33 0.00 0.00 58.87 58.89 1bhw n SER 106 Cb 0.78 -1.54 0.38 0.00 -0.75 0.00 0.00 64.21 63.08 1bhw n SER 106 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1bhw h ASN 107 N 2.04 0.58 -3.27 -3.46 2.35 -1.93 -3.40 115.58 108.50 1bhw h ASN 107 Ca -0.49 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 54.68 1bhw h ASN 107 Cb 1.29 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.47 1bhw h ASN 107 CO 0.60 0.40 0.93 -0.62 -1.65 0.00 0.00 177.43 177.09 1bhw s ASP 108 N -6.42 6.73 0.35 5.81 -1.08 -1.26 -4.94 116.67 115.86 1bhw s ASP 108 Ca -0.09 1.06 0.03 0.00 -0.52 0.00 0.00 52.55 53.03 1bhw s ASP 108 Cb 0.18 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.75 1bhw s ASP 108 CO 0.75 -1.05 1.99 -0.09 0.52 0.00 0.00 175.17 177.29 1bhw h ARG 109 N 8.97 0.83 -0.00 4.34 2.43 -1.99 -1.75 114.38 127.21 1bhw h ARG 109 Ca -0.24 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.81 1bhw h ARG 109 Cb 1.08 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1bhw h ARG 109 CO 1.05 0.55 -0.35 0.66 -1.51 0.00 0.00 179.97 180.36 1bhw h SER 110 N 0.85 0.00 -0.26 -3.80 4.64 -1.95 -2.10 113.55 110.94 1bhw h SER 110 Ca 0.27 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.43 1bhw h SER 110 Cb 0.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1bhw h SER 110 CO -0.07 0.36 -0.48 0.58 -0.87 0.00 0.00 176.83 176.35 1bhw h VAL 111 N 0.00 1.29 -0.86 0.95 2.07 -1.67 -2.20 116.25 115.83 1bhw h VAL 111 Ca -0.00 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 65.85 1bhw h VAL 111 Cb 0.63 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1bhw h VAL 111 CO 0.05 0.54 0.57 0.03 0.02 0.00 0.00 177.57 178.77 1bhw h ARG 112 N 0.52 1.13 -0.45 1.57 3.08 -1.10 0.54 114.38 119.68 1bhw h ARG 112 Ca 0.01 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1bhw h ARG 112 Cb 1.08 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1bhw h ARG 112 CO 0.11 0.75 -0.05 0.00 -1.07 0.00 0.00 179.97 179.71 1bhw h ARG 113 N 1.17 0.82 -0.42 0.04 3.08 -1.34 -2.50 114.38 115.23 1bhw h ARG 113 Ca 0.32 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1bhw h ARG 113 Cb -0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1bhw h ARG 113 CO -0.07 0.91 0.12 -0.92 -1.07 0.00 0.00 179.97 178.94 1bhw h TYR 114 N 0.66 0.69 -0.82 3.04 3.20 -1.09 -2.42 116.97 120.24 1bhw h TYR 114 Ca 0.12 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1bhw h TYR 114 Cb 0.57 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1bhw h TYR 114 CO 0.04 0.64 0.50 0.00 -1.64 0.00 0.00 178.16 177.71 1bhw h ALA 115 N 0.97 1.11 -0.13 1.82 0.00 -0.75 -0.43 119.26 121.85 1bhw h ALA 115 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bhw h ALA 115 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bhw h ALA 115 CO -0.00 0.25 0.07 0.82 0.00 0.00 0.00 179.25 180.39 1bhw h ILE 116 N 0.93 1.11 -0.58 0.00 2.04 -1.33 -1.76 117.51 117.93 1bhw h ILE 116 Ca 0.35 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1bhw h ILE 116 Cb 0.14 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1bhw h ILE 116 CO -0.16 0.10 0.27 0.03 0.00 0.00 0.00 178.15 178.39 1bhw h ARG 117 N 0.10 0.49 -0.91 2.37 2.47 -0.88 -0.70 114.38 117.32 1bhw h ARG 117 Ca 0.05 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1bhw h ARG 117 Cb 0.11 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 1bhw h ARG 117 CO -0.01 0.32 0.54 -0.22 0.56 0.00 0.00 179.97 181.17 1bhw h LYS 118 N 0.50 1.23 -0.18 0.04 3.64 -0.90 -2.44 116.57 118.47 1bhw h LYS 118 Ca 0.27 -0.11 -0.21 0.00 -1.27 0.00 0.00 60.65 59.33 1bhw h LYS 118 Cb 0.23 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1bhw h LYS 118 CO -0.21 0.86 -0.69 0.28 -2.27 0.00 0.00 179.45 177.42 1bhw h VAL 119 N 1.25 1.28 -0.59 2.00 2.07 -0.46 -3.11 116.25 118.69 1bhw h VAL 119 Ca 0.33 -1.89 0.09 0.00 0.82 0.00 0.00 66.70 66.05 1bhw h VAL 119 Cb -0.05 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1bhw h VAL 119 CO -0.06 0.60 0.22 -0.07 0.02 0.00 0.00 177.57 178.28 1bhw h LEU 120 N 0.53 0.21 -1.28 2.57 3.38 -0.88 0.76 115.31 120.60 1bhw h LEU 120 Ca -0.03 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1bhw h LEU 120 Cb 1.32 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1bhw h LEU 120 CO 0.15 0.13 0.49 -0.09 0.09 0.00 0.00 178.44 179.21 1bhw h ARG 121 N 0.40 0.94 -0.01 1.13 2.43 -1.47 -1.14 114.38 116.67 1bhw h ARG 121 Ca 0.30 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.22 1bhw h ARG 121 Cb 0.36 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1bhw h ARG 121 CO -0.30 0.62 -0.85 0.37 -1.51 0.00 0.00 179.97 178.30 1bhw h GLN 122 N 0.97 0.22 -0.81 0.20 5.75 -1.22 -2.89 115.11 117.33 1bhw h GLN 122 Ca 0.28 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1bhw h GLN 122 Cb -0.06 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1bhw h GLN 122 CO -0.07 0.95 0.50 0.52 -2.65 0.00 0.00 178.83 178.07 1bhw h MET 123 N 0.13 1.09 -0.15 1.69 2.86 0.12 0.13 114.93 120.80 1bhw h MET 123 Ca -0.04 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1bhw h MET 123 Cb 1.47 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 1bhw h MET 123 CO 0.13 0.76 0.07 -0.44 1.06 0.00 0.00 176.91 178.49 1bhw h ASP 124 N 1.11 0.20 -0.61 1.22 3.32 -1.11 0.51 116.42 121.06 1bhw h ASP 124 Ca 0.29 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1bhw h ASP 124 Cb -0.06 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1bhw h ASP 124 CO -0.06 0.28 0.22 0.25 -1.72 0.00 0.00 179.24 178.22 1bhw h LEU 125 N 0.11 0.89 0.08 1.55 5.85 -1.31 -1.55 115.31 120.93 1bhw h LEU 125 Ca 0.05 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1bhw h LEU 125 Cb 0.14 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1bhw h LEU 125 CO -0.01 0.82 -0.04 1.23 -0.34 0.00 0.00 178.44 180.11 1bhw h GLY 126 N 1.04 -0.11 0.66 3.75 0.00 -0.41 -1.48 103.07 106.52 1bhw h GLY 126 Ca 0.21 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.65 1bhw h GLY 126 CO -0.01 -0.04 0.42 0.00 0.00 0.00 0.00 176.54 176.91 1bhw h ALA 127 N 0.67 0.99 -0.03 3.60 0.00 -0.70 -1.51 119.26 122.29 1bhw h ALA 127 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1bhw h ALA 127 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1bhw h ALA 127 CO 0.02 0.10 -0.29 1.49 0.00 0.00 0.00 179.25 180.57 1bhw h GLU 128 N 0.76 0.05 -0.01 0.00 4.81 -1.13 -2.72 114.58 116.34 1bhw h GLU 128 Ca 0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1bhw h GLU 128 Cb 0.21 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1bhw h GLU 128 CO -0.19 0.34 -0.21 1.28 -0.73 0.00 0.00 179.01 179.49 1bhw n LEU 129 N -4.18 0.94 0.00 1.64 4.77 -0.57 -4.96 117.00 114.63 1bhw n LEU 129 Ca -0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1bhw n LEU 129 Cb 0.35 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1bhw n LEU 129 CO 0.38 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1bhw n GLY 130 N 1.32 0.64 3.77 -0.72 0.00 -0.84 -4.50 105.19 104.85 1bhw n GLY 130 Ca 0.13 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1bhw n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 131 N -2.00 3.22 -0.07 4.61 0.00 -0.63 -4.84 121.76 122.05 1bhw s ALA 131 Ca 0.00 1.35 0.18 0.00 0.00 0.00 0.00 51.96 53.50 1bhw s ALA 131 Cb 0.00 -3.54 -0.28 0.00 0.00 0.00 0.00 23.12 19.30 1bhw s ALA 131 CO 0.00 -1.04 0.32 1.63 0.00 0.00 0.00 175.76 176.67 1bhw n LYS 132 N -0.12 0.72 -4.71 0.00 5.02 -0.84 -4.65 118.16 113.58 1bhw n LYS 132 Ca 0.05 -0.13 -0.24 0.00 -2.02 0.00 0.00 58.31 55.97 1bhw n LYS 132 Cb 0.43 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 1bhw n LYS 132 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bhw s THR 133 N -3.09 1.44 -0.27 -0.18 2.01 -1.15 -1.30 115.64 113.11 1bhw s THR 133 Ca -0.08 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 1bhw s THR 133 Cb 0.10 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.39 1bhw s THR 133 CO 0.78 0.27 0.01 -0.22 -0.69 0.00 0.00 174.62 174.78 1bhw s LEU 134 N -0.78 3.50 0.00 4.42 2.96 -0.29 -2.24 118.68 126.25 1bhw s LEU 134 Ca 0.06 -0.74 -0.17 0.00 -0.22 0.00 0.00 54.13 53.06 1bhw s LEU 134 Cb -0.08 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 1bhw s LEU 134 CO 0.00 -0.15 0.48 -0.69 -1.32 0.00 0.00 176.35 174.68 1bhw s VAL 135 N 1.43 4.96 -0.22 1.68 1.01 -0.74 -0.80 120.40 127.72 1bhw s VAL 135 Ca 0.02 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1bhw s VAL 135 Cb -0.17 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1bhw s VAL 135 CO -0.01 0.52 -0.08 -0.76 0.00 0.00 0.00 175.10 174.77 1bhw s LEU 136 N -0.73 2.50 -0.33 3.92 1.43 0.50 -4.27 118.68 121.70 1bhw s LEU 136 Ca 0.26 -1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.28 1bhw s LEU 136 Cb -0.17 -1.22 0.06 0.00 0.03 0.00 0.00 46.19 44.89 1bhw s LEU 136 CO 0.15 -0.19 0.06 0.86 0.23 0.00 0.00 176.35 177.45 1bhw s TRP 137 N 1.38 3.36 -1.38 0.29 -0.00 -1.26 -0.39 118.94 120.93 1bhw s TRP 137 Ca -0.04 -2.01 -0.08 0.00 -0.00 0.00 0.00 56.10 53.98 1bhw s TRP 137 Cb -0.18 -2.42 0.09 0.00 -0.00 0.00 0.00 33.47 30.96 1bhw s TRP 137 CO -0.07 -0.84 2.38 0.41 -0.00 0.00 0.00 176.95 178.82 1bhw n GLY 138 N 4.62 4.89 0.34 5.86 0.00 -1.26 -4.76 105.19 114.88 1bhw n GLY 138 Ca -0.10 -1.93 0.16 0.00 0.00 0.00 0.00 46.02 44.15 1bhw n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bhw h GLY 139 N 6.60 0.00 -1.96 -0.02 0.00 -1.92 -2.13 103.07 103.64 1bhw h GLY 139 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1bhw h GLY 139 CO 1.59 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.67 1bhw n ARG 140 N -4.19 2.31 -2.70 4.80 5.12 -1.26 -3.86 116.66 116.87 1bhw n ARG 140 Ca 0.04 -2.12 -0.43 0.00 -1.93 0.00 0.00 57.85 53.42 1bhw n ARG 140 Cb 0.40 -1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 1bhw n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1bhw s GLU 141 N -1.29 3.57 0.00 5.56 0.41 -0.80 -2.77 118.70 123.37 1bhw s GLU 141 Ca 0.33 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 55.15 1bhw s GLU 141 Cb 0.19 -3.95 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1bhw s GLU 141 CO 0.26 -1.39 0.00 0.41 -0.49 0.00 0.00 175.26 174.05 1bhw n GLY 142 N 4.95 -0.31 3.68 -1.39 0.00 -1.26 -0.72 105.19 110.14 1bhw n GLY 142 Ca 0.08 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 1bhw n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 143 N -1.00 -1.80 -0.09 4.61 0.00 -0.45 -4.92 121.76 118.11 1bhw s ALA 143 Ca 0.00 0.42 0.14 0.00 0.00 0.00 0.00 51.96 52.51 1bhw s ALA 143 Cb 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 23.12 23.45 1bhw s ALA 143 CO 0.00 -0.97 0.16 0.39 0.00 0.00 0.00 175.76 175.34 1bhw n GLU 144 N -0.42 1.20 -4.63 0.00 4.71 -1.26 -1.36 120.64 118.88 1bhw n GLU 144 Ca -0.07 -0.06 -0.25 0.00 -0.01 0.00 0.00 57.16 56.77 1bhw n GLU 144 Cb 0.61 -1.36 -0.16 0.00 -1.01 0.00 0.00 31.44 29.52 1bhw n GLU 144 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1bhw s TYR 145 N -2.63 1.51 0.26 -0.32 2.02 -1.26 -4.93 117.35 112.00 1bhw s TYR 145 Ca -0.06 -0.54 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 1bhw s TYR 145 Cb 0.06 -1.09 0.33 0.00 -0.40 0.00 0.00 41.96 40.86 1bhw s TYR 145 CO 0.59 -0.27 1.91 -0.44 -1.57 0.00 0.00 175.55 175.78 1bhw h ASP 146 N 6.87 1.11 0.48 2.29 3.32 -1.94 -2.25 116.42 126.31 1bhw h ASP 146 Ca -0.30 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1bhw h ASP 146 Cb 1.19 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1bhw h ASP 146 CO 0.47 0.76 0.00 -1.54 -1.72 0.00 0.00 179.24 177.22 1bhw n SER 147 N -4.43 0.00 -0.11 6.45 3.41 -1.26 -3.49 113.62 114.19 1bhw n SER 147 Ca 0.14 -0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 1bhw n SER 147 Cb 0.09 -0.31 0.44 0.00 -0.26 0.00 0.00 64.21 64.17 1bhw n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bhw n ALA 148 N -1.31 3.03 -3.71 7.33 0.00 -0.85 -4.84 120.51 120.17 1bhw n ALA 148 Ca 0.11 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 1bhw n ALA 148 Cb 0.20 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.27 1bhw n ALA 148 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bhw s LYS 149 N -2.69 0.09 -0.59 0.00 2.47 -1.23 -5.01 119.74 112.78 1bhw s LYS 149 Ca 0.21 0.50 -0.25 0.00 -1.56 0.00 0.00 55.97 54.87 1bhw s LYS 149 Cb 0.19 -0.19 0.04 0.00 -1.46 0.00 0.00 37.83 36.41 1bhw s LYS 149 CO 0.56 -0.23 1.01 0.34 0.16 0.00 0.00 175.35 177.19 1bhw s ASP 150 N 1.74 6.32 0.18 1.43 -1.08 -1.26 -4.91 116.67 119.08 1bhw s ASP 150 Ca -0.04 -0.38 -0.12 0.00 -0.52 0.00 0.00 52.55 51.49 1bhw s ASP 150 Cb -0.12 -2.46 0.09 0.00 -1.46 0.00 0.00 42.92 38.97 1bhw s ASP 150 CO -0.06 -1.35 1.79 0.58 0.52 0.00 0.00 175.17 176.65 1bhw h VAL 151 N 6.03 1.20 -0.18 1.11 2.07 -1.98 0.11 116.25 124.61 1bhw h VAL 151 Ca -0.26 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1bhw h VAL 151 Cb 1.07 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1bhw h VAL 151 CO 1.13 0.22 0.04 -1.28 0.02 0.00 0.00 177.57 177.70 1bhw h SER 152 N 0.84 0.02 -0.74 0.57 0.87 -1.99 0.37 113.55 113.48 1bhw h SER 152 Ca 0.22 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1bhw h SER 152 Cb 0.05 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1bhw h SER 152 CO -0.03 0.04 0.35 0.00 -0.53 0.00 0.00 176.83 176.66 1bhw h ALA 153 N 1.12 1.19 -0.53 6.23 0.00 -1.94 -0.92 119.26 124.41 1bhw h ALA 153 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1bhw h ALA 153 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1bhw h ALA 153 CO -0.10 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 1bhw h ALA 154 N 1.30 0.96 -0.23 0.00 0.00 -0.12 -0.88 119.26 120.29 1bhw h ALA 154 Ca 0.26 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1bhw h ALA 154 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1bhw h ALA 154 CO -0.03 0.63 -0.32 -0.07 0.00 0.00 0.00 179.25 179.46 1bhw h LEU 155 N 0.85 0.49 -0.38 0.00 3.38 0.43 -1.53 115.31 118.55 1bhw h LEU 155 Ca 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bhw h LEU 155 Cb 0.53 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1bhw h LEU 155 CO 0.03 0.78 0.14 0.44 0.09 0.00 0.00 178.44 179.92 1bhw h ASP 156 N 0.41 0.52 0.47 -0.43 3.32 -0.82 -1.30 116.42 118.60 1bhw h ASP 156 Ca 0.05 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 1bhw h ASP 156 Cb 0.76 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1bhw h ASP 156 CO 0.06 0.56 -0.47 0.03 -1.72 0.00 0.00 179.24 177.70 1bhw h ARG 157 N 0.46 0.00 -0.08 3.56 2.47 -0.97 -0.31 114.38 119.51 1bhw h ARG 157 Ca 0.12 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.81 1bhw h ARG 157 Cb 0.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1bhw h ARG 157 CO -0.01 0.47 -0.10 -0.92 0.56 0.00 0.00 179.97 179.97 1bhw h TYR 158 N 0.00 0.25 -0.23 3.04 5.03 -1.16 -1.67 116.97 122.23 1bhw h TYR 158 Ca -0.00 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 1bhw h TYR 158 Cb 0.83 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 1bhw h TYR 158 CO 0.00 0.67 0.11 -0.09 -1.32 0.00 0.00 178.16 177.54 1bhw h ARG 159 N -0.24 0.33 -0.71 1.82 2.43 -1.14 -1.29 114.38 115.58 1bhw h ARG 159 Ca 0.01 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1bhw h ARG 159 Cb 0.64 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1bhw h ARG 159 CO 0.02 0.34 0.42 1.49 -1.51 0.00 0.00 179.97 180.74 1bhw h GLU 160 N 0.24 0.77 -0.29 0.20 4.81 -1.04 0.57 114.58 119.84 1bhw h GLU 160 Ca 0.08 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1bhw h GLU 160 Cb 0.12 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1bhw h GLU 160 CO -0.01 0.51 -0.36 0.00 -0.73 0.00 0.00 179.01 178.41 1bhw h ALA 161 N 1.34 0.43 -0.41 2.92 0.00 -1.07 -3.11 119.26 119.37 1bhw h ALA 161 Ca 0.31 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1bhw h ALA 161 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bhw h ALA 161 CO -0.16 0.51 -0.22 -0.07 0.00 0.00 0.00 179.25 179.32 1bhw h LEU 162 N 0.51 0.83 -0.61 0.00 3.38 -0.70 -2.76 115.31 115.96 1bhw h LEU 162 Ca 0.04 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1bhw h LEU 162 Cb 0.95 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1bhw h LEU 162 CO 0.09 1.02 0.29 0.78 0.09 0.00 0.00 178.44 180.71 1bhw h ASN 163 N 0.71 0.38 -0.32 -0.43 2.35 -0.93 -1.83 115.58 115.51 1bhw h ASN 163 Ca 0.10 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1bhw h ASN 163 Cb 0.74 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1bhw h ASN 163 CO 0.06 0.24 0.12 0.25 -1.65 0.00 0.00 177.43 176.45 1bhw h LEU 164 N 0.53 0.44 -1.03 1.61 6.46 -1.46 -2.04 115.31 119.83 1bhw h LEU 164 Ca 0.29 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1bhw h LEU 164 Cb 0.27 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 1bhw h LEU 164 CO -0.23 0.49 0.65 -0.07 -0.62 0.00 0.00 178.44 178.67 1bhw h LEU 165 N 0.36 1.11 -0.27 2.25 3.38 -1.17 -0.96 115.31 120.02 1bhw h LEU 165 Ca 0.11 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1bhw h LEU 165 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1bhw h LEU 165 CO -0.01 0.79 -0.03 0.00 0.09 0.00 0.00 178.44 179.28 1bhw h ALA 166 N 1.40 0.37 -0.19 1.53 0.00 -1.19 -1.87 119.26 119.31 1bhw h ALA 166 Ca 0.38 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1bhw h ALA 166 Cb -0.09 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1bhw h ALA 166 CO -0.10 0.13 -0.21 0.37 0.00 0.00 0.00 179.25 179.45 1bhw h GLN 167 N 0.26 -0.23 0.06 0.00 5.75 -0.97 0.01 115.11 119.98 1bhw h GLN 167 Ca 0.07 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1bhw h GLN 167 Cb 0.47 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1bhw h GLN 167 CO 0.02 -0.15 -0.03 -0.92 -2.65 0.00 0.00 178.83 175.10 1bhw h TYR 168 N -0.24 -0.07 -0.62 3.99 3.20 -1.14 -1.07 116.97 121.03 1bhw h TYR 168 Ca 0.12 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1bhw h TYR 168 Cb 0.41 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1bhw h TYR 168 CO -0.34 -0.02 0.35 1.03 -1.64 0.00 0.00 178.16 177.53 1bhw h SER 169 N -0.10 0.77 -0.46 -2.11 0.87 -1.12 0.17 113.55 111.57 1bhw h SER 169 Ca -0.01 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 1bhw h SER 169 Cb 0.08 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1bhw h SER 169 CO 0.01 0.64 0.03 -0.33 -0.53 0.00 0.00 176.83 176.65 1bhw h GLU 170 N 0.85 0.79 -0.46 2.24 4.39 -0.83 -0.45 114.58 121.10 1bhw h GLU 170 Ca 0.22 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 1bhw h GLU 170 Cb 0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1bhw h GLU 170 CO -0.04 0.83 -0.21 -0.44 -1.16 0.00 0.00 179.01 178.00 1bhw h ASP 171 N 0.64 0.96 0.78 1.42 3.32 -1.02 -2.82 116.42 119.70 1bhw h ASP 171 Ca 0.13 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1bhw h ASP 171 Cb 0.45 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1bhw h ASP 171 CO 0.02 1.13 -0.02 0.54 -1.72 0.00 0.00 179.24 179.18 1bhw n ARG 172 N -4.11 0.21 -2.79 3.56 5.12 0.56 -4.94 116.66 114.27 1bhw n ARG 172 Ca 0.00 -0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 1bhw n ARG 172 Cb 0.45 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.27 1bhw n ARG 172 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bhw n GLY 173 N 1.40 0.03 0.16 -0.13 0.00 -0.56 -4.95 105.19 101.14 1bhw n GLY 173 Ca 0.10 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1bhw n GLY 173 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bhw h TYR 174 N -0.96 0.00 -2.94 1.61 0.05 -1.40 -3.48 116.97 109.84 1bhw h TYR 174 Ca -0.31 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.12 1bhw h TYR 174 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1bhw h TYR 174 CO 0.29 0.46 -0.48 0.41 -1.05 0.00 0.00 178.16 177.80 1bhw n GLY 175 N 0.69 -0.36 3.84 3.88 0.00 -1.26 -4.98 105.19 107.00 1bhw n GLY 175 Ca 0.01 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1bhw n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bhw s LEU 176 N -5.31 3.61 0.12 0.99 1.43 -1.26 -4.93 118.68 113.32 1bhw s LEU 176 Ca 0.08 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 54.81 1bhw s LEU 176 Cb -0.03 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1bhw s LEU 176 CO 0.10 -0.59 -0.09 -0.13 0.23 0.00 0.00 176.35 175.86 1bhw s ARG 177 N -4.10 2.13 -0.08 1.70 0.52 -0.42 -5.00 118.95 113.70 1bhw s ARG 177 Ca 0.59 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 1bhw s ARG 177 Cb -0.10 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 1bhw s ARG 177 CO 0.32 0.50 -0.21 -0.06 0.02 0.00 0.00 175.30 175.86 1bhw s PHE 178 N -1.29 2.58 -0.21 -0.53 0.40 0.46 -1.14 117.98 118.24 1bhw s PHE 178 Ca 0.22 -0.75 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1bhw s PHE 178 Cb -0.11 -1.69 0.04 0.00 0.51 0.00 0.00 43.02 41.78 1bhw s PHE 178 CO 0.14 -0.24 -0.13 0.00 0.70 0.00 0.00 175.22 175.70 1bhw s ALA 179 N 0.04 2.24 0.02 5.36 0.00 0.02 -0.51 121.76 128.93 1bhw s ALA 179 Ca -0.08 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.23 1bhw s ALA 179 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1bhw s ALA 179 CO 0.05 -0.83 0.86 0.42 0.00 0.00 0.00 175.76 176.26 1bhw s ILE 180 N 1.29 4.79 -0.32 0.00 -1.09 -0.56 -0.37 121.20 124.94 1bhw s ILE 180 Ca -0.02 1.82 -0.08 0.00 -2.23 0.00 0.00 60.65 60.14 1bhw s ILE 180 Cb -0.17 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.52 1bhw s ILE 180 CO -0.08 0.27 0.11 -0.70 -1.23 0.00 0.00 174.94 173.31 1bhw s GLU 181 N 0.45 3.00 0.37 2.79 2.12 0.47 -0.76 118.70 127.16 1bhw s GLU 181 Ca 0.44 -0.93 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 1bhw s GLU 181 Cb -0.21 -3.46 -0.10 0.00 0.26 0.00 0.00 34.13 30.62 1bhw s GLU 181 CO 0.25 -0.52 0.86 -1.25 -0.54 0.00 0.00 175.26 174.06 1bhw s PRO 182 N 1.50 4.16 -0.24 4.30 0.05 -1.26 -4.35 135.00 139.17 1bhw s PRO 182 Ca 0.02 0.94 -0.17 0.00 0.05 0.00 0.00 61.00 61.84 1bhw s PRO 182 Cb -0.18 -2.34 0.07 0.00 0.05 0.00 0.00 34.50 32.10 1bhw s PRO 182 CO 0.04 0.07 0.60 0.21 0.05 0.00 0.00 177.00 177.98 1bhw s LYS 183 N -3.00 0.66 0.18 4.56 2.20 -1.22 -4.69 119.74 118.42 1bhw s LYS 183 Ca 0.58 0.97 -0.02 0.00 -0.36 0.00 0.00 55.97 57.14 1bhw s LYS 183 Cb -0.10 0.21 0.06 0.00 -1.51 0.00 0.00 37.83 36.49 1bhw s LYS 183 CO 0.16 -0.12 1.44 -1.00 -0.36 0.00 0.00 175.35 175.46 1bhw h PRO 184 N 6.13 0.43 -2.71 4.03 0.13 -1.72 -3.39 132.00 134.90 1bhw h PRO 184 Ca -0.30 -0.34 0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1bhw h PRO 184 Cb 1.19 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1bhw h PRO 184 CO 0.16 0.97 0.38 0.54 -0.23 0.00 0.00 178.00 179.83 1bhw s ASN 185 N -6.97 -0.13 -0.01 1.44 4.22 -1.26 -1.97 114.94 110.25 1bhw s ASN 185 Ca -0.06 -0.68 -0.01 0.00 -2.14 0.00 0.00 52.86 49.96 1bhw s ASN 185 Cb 0.10 0.64 0.01 0.00 1.28 0.00 0.00 41.25 43.28 1bhw s ASN 185 CO 0.84 -1.23 0.03 1.21 -2.04 0.00 0.00 177.10 175.91 1bhw n GLU 186 N -0.52 -2.38 0.13 3.55 2.13 -1.26 -4.81 120.64 117.47 1bhw n GLU 186 Ca -0.05 2.01 0.13 0.00 0.66 0.00 0.00 57.16 59.90 1bhw n GLU 186 Cb 0.60 -2.60 0.35 0.00 0.27 0.00 0.00 31.44 30.06 1bhw n GLU 186 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1bhw h PRO 187 N 1.98 0.00 -7.07 5.31 0.13 -2.00 -3.49 132.00 126.86 1bhw h PRO 187 Ca -0.07 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.58 1bhw h PRO 187 Cb 0.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.29 1bhw h PRO 187 CO 0.00 0.00 0.29 1.03 -0.23 0.00 0.00 178.00 179.09 1bhw s ARG 188 N -3.13 3.90 0.23 0.86 1.81 -1.25 -4.95 118.95 116.42 1bhw s ARG 188 Ca 0.10 0.80 -0.07 0.00 -1.72 0.00 0.00 55.73 54.84 1bhw s ARG 188 Cb 0.11 -2.22 0.36 0.00 -0.45 0.00 0.00 34.95 32.74 1bhw s ARG 188 CO 0.62 -0.19 1.75 0.78 -0.68 0.00 0.00 175.30 177.58 1bhw h GLY 189 N 1.07 1.02 -6.75 -3.53 0.00 -1.89 -3.40 103.07 89.59 1bhw h GLY 189 Ca -0.47 -0.16 -0.34 0.00 0.00 0.00 0.00 47.33 46.36 1bhw h GLY 189 CO 0.62 -0.02 -0.74 0.99 0.00 0.00 0.00 176.54 177.39 1bhw s ASP 190 N -5.41 0.56 0.01 0.19 1.01 -0.46 -4.65 116.67 107.91 1bhw s ASP 190 Ca -0.13 0.03 -0.07 0.00 0.71 0.00 0.00 52.55 53.09 1bhw s ASP 190 Cb 0.19 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.92 1bhw s ASP 190 CO 0.76 -0.16 0.28 -0.63 0.21 0.00 0.00 175.17 175.62 1bhw s ILE 191 N 1.44 5.29 0.31 0.77 1.01 -0.83 -1.34 121.20 127.84 1bhw s ILE 191 Ca -0.04 0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 1bhw s ILE 191 Cb -0.13 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1bhw s ILE 191 CO -0.03 0.38 1.12 -0.76 0.00 0.00 0.00 174.94 175.65 1bhw s LEU 192 N -1.72 4.46 -0.62 2.97 1.43 0.10 -3.78 118.68 121.51 1bhw s LEU 192 Ca 0.27 2.30 -0.03 0.00 -1.03 0.00 0.00 54.13 55.64 1bhw s LEU 192 Cb -0.13 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1bhw s LEU 192 CO 0.16 -0.28 0.55 0.18 0.23 0.00 0.00 176.35 177.19 1bhw n LEU 193 N 0.89 -4.36 0.28 1.79 4.77 -1.26 -4.77 117.00 114.34 1bhw n LEU 193 Ca 0.00 -0.38 0.16 0.00 -0.03 0.00 0.00 56.01 55.76 1bhw n LEU 193 Cb 0.45 -2.21 0.75 0.00 -2.33 0.00 0.00 43.42 40.08 1bhw n LEU 193 CO 0.53 -0.05 0.99 1.55 -1.33 0.00 0.00 177.39 179.09 1bhw h PRO 194 N -0.53 0.00 -4.63 3.23 0.13 -1.75 -3.24 132.00 125.21 1bhw h PRO 194 Ca -0.32 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.56 1bhw h PRO 194 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 1bhw h PRO 194 CO 0.26 0.06 -0.65 0.95 -0.23 0.00 0.00 178.00 178.39 1bhw s THR 195 N -3.87 0.38 0.41 1.56 -4.23 -1.26 -2.50 115.64 106.13 1bhw s THR 195 Ca -0.01 -1.95 0.16 0.00 -1.18 0.00 0.00 61.69 58.71 1bhw s THR 195 Cb 0.11 -2.16 0.37 0.00 1.34 0.00 0.00 72.50 72.16 1bhw s THR 195 CO 0.54 -0.40 1.86 0.00 -0.54 0.00 0.00 174.62 176.09 1bhw h ALA 196 N 2.73 2.13 0.46 3.99 0.00 -1.90 -1.25 119.26 125.42 1bhw h ALA 196 Ca -0.36 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1bhw h ALA 196 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1bhw h ALA 196 CO 0.60 -0.40 -0.22 0.78 0.00 0.00 0.00 179.25 180.01 1bhw h GLY 197 N 0.45 -0.64 0.58 0.00 0.00 -1.95 -1.82 103.07 99.69 1bhw h GLY 197 Ca 0.46 0.24 0.10 0.00 0.00 0.00 0.00 47.33 48.12 1bhw h GLY 197 CO -0.18 -0.23 0.63 0.45 0.00 0.00 0.00 176.54 177.21 1bhw h HIS 198 N -0.94 1.15 -0.47 5.60 -0.00 -1.78 -1.33 115.15 117.37 1bhw h HIS 198 Ca -0.06 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.23 1bhw h HIS 198 Cb 0.58 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1bhw h HIS 198 CO 0.01 0.51 -0.11 0.00 -0.00 0.00 0.00 177.93 178.34 1bhw h ALA 199 N 1.51 0.65 -0.43 2.45 0.00 -1.20 -2.39 119.26 119.86 1bhw h ALA 199 Ca 0.47 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1bhw h ALA 199 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bhw h ALA 199 CO -0.23 0.55 -0.07 0.82 0.00 0.00 0.00 179.25 180.33 1bhw h ILE 200 N 0.76 1.27 -0.62 0.00 2.04 -0.84 -2.70 117.51 117.42 1bhw h ILE 200 Ca 0.12 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1bhw h ILE 200 Cb 0.66 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1bhw h ILE 200 CO 0.05 0.39 0.37 0.00 0.00 0.00 0.00 178.15 178.96 1bhw h ALA 201 N 0.87 0.82 -0.08 1.87 0.00 -1.20 -2.81 119.26 118.71 1bhw h ALA 201 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bhw h ALA 201 Cb 0.59 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bhw h ALA 201 CO 0.04 0.09 0.05 0.35 0.00 0.00 0.00 179.25 179.77 1bhw h PHE 202 N 0.71 0.11 -0.48 0.00 3.57 -1.36 -3.07 116.94 116.43 1bhw h PHE 202 Ca 0.26 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1bhw h PHE 202 Cb 0.08 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1bhw h PHE 202 CO -0.06 0.12 0.32 0.28 -2.23 0.00 0.00 178.31 176.73 1bhw h VAL 203 N 0.07 1.07 0.00 1.41 2.07 -1.29 0.21 116.25 119.79 1bhw h VAL 203 Ca 0.03 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1bhw h VAL 203 Cb 0.04 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1bhw h VAL 203 CO -0.01 0.10 -0.02 1.56 0.02 0.00 0.00 177.57 179.23 1bhw h GLN 204 N 0.57 0.00 -0.05 1.57 4.20 -1.40 -2.42 115.11 117.58 1bhw h GLN 204 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1bhw h GLN 204 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1bhw h GLN 204 CO -0.05 0.02 0.00 0.39 -0.67 0.00 0.00 178.83 178.52 1bhw n GLU 205 N -3.15 1.98 -1.86 1.46 -0.58 0.06 -4.92 120.64 113.62 1bhw n GLU 205 Ca -0.01 -1.42 -0.29 0.00 -0.42 0.00 0.00 57.16 55.01 1bhw n GLU 205 Cb 0.21 -1.47 0.07 0.00 -0.57 0.00 0.00 31.44 29.69 1bhw n GLU 205 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bhw s LEU 206 N -1.94 2.65 0.15 -4.62 1.43 -0.91 -5.01 118.68 110.42 1bhw s LEU 206 Ca 0.34 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 1bhw s LEU 206 Cb 0.20 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1bhw s LEU 206 CO 0.32 -1.71 1.58 -0.08 0.23 0.00 0.00 176.35 176.69 1bhw h GLU 207 N -0.91 0.91 -2.13 1.70 4.81 -1.92 -3.34 114.58 113.69 1bhw h GLU 207 Ca -0.46 -0.32 -0.59 0.00 -0.13 0.00 0.00 59.36 57.87 1bhw h GLU 207 Cb 1.30 -0.07 -0.41 0.00 0.63 0.00 0.00 28.75 30.20 1bhw h GLU 207 CO 0.65 0.97 -0.76 0.54 -0.73 0.00 0.00 179.01 179.68 1bhw n ARG 208 N -4.26 1.98 0.11 1.92 1.74 -1.26 -4.95 116.66 111.93 1bhw n ARG 208 Ca 0.01 -4.22 0.17 0.00 -0.77 0.00 0.00 57.85 53.04 1bhw n ARG 208 Cb 0.36 -1.93 0.72 0.00 -1.02 0.00 0.00 32.46 30.59 1bhw n ARG 208 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1bhw h PRO 209 N 4.07 0.00 0.00 5.56 0.13 -1.80 -0.05 132.00 139.90 1bhw h PRO 209 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1bhw h PRO 209 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1bhw h PRO 209 CO 0.72 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.54 1bhw h GLU 210 N 0.00 0.00 0.00 0.86 9.09 -1.92 -1.86 114.58 120.75 1bhw h GLU 210 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 1bhw h GLU 210 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 1bhw h GLU 210 CO -0.00 0.00 -0.49 1.28 0.05 0.00 0.00 179.01 179.85 1bhw n LEU 211 N -2.87 0.51 -4.54 3.06 4.77 -0.03 -4.92 117.00 112.98 1bhw n LEU 211 Ca -0.01 0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1bhw n LEU 211 Cb 0.15 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1bhw n LEU 211 CO 0.20 0.06 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.55 1bhw s PHE 212 N -3.05 2.83 0.00 -1.77 0.40 -0.70 -0.40 117.98 115.29 1bhw s PHE 212 Ca 0.10 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1bhw s PHE 212 Cb 0.16 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 42.03 1bhw s PHE 212 CO 0.69 0.27 0.00 0.41 0.70 0.00 0.00 175.22 177.29 1bhw n GLY 213 N 2.20 3.81 3.44 4.36 0.00 0.34 -4.96 105.19 114.38 1bhw n GLY 213 Ca -0.17 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 1bhw n GLY 213 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bhw s ILE 214 N -2.09 1.81 -0.56 -0.61 -4.36 0.60 -1.50 121.20 114.50 1bhw s ILE 214 Ca 0.00 -2.17 0.05 0.00 -0.26 0.00 0.00 60.65 58.27 1bhw s ILE 214 Cb 0.00 -2.42 0.17 0.00 1.25 0.00 0.00 42.46 41.46 1bhw s ILE 214 CO 0.00 -0.33 0.42 -3.20 0.24 0.00 0.00 174.94 172.07 1bhw n ASN 215 N -0.60 1.24 -4.78 4.36 5.15 0.06 -2.48 115.26 118.22 1bhw n ASN 215 Ca -0.06 -2.79 -0.36 0.00 -0.60 0.00 0.00 54.58 50.77 1bhw n ASN 215 Cb 0.63 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 1bhw n ASN 215 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1bhw s PRO 216 N -0.71 4.01 -0.07 1.20 0.04 -1.26 -4.33 135.00 133.89 1bhw s PRO 216 Ca 0.29 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.97 1bhw s PRO 216 Cb 0.00 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1bhw s PRO 216 CO -0.18 -0.29 -0.24 -2.00 0.04 0.00 0.00 177.00 174.33 1bhw s GLU 217 N -2.62 2.66 0.19 4.56 2.12 -1.26 -1.62 118.70 122.72 1bhw s GLU 217 Ca 0.60 -0.88 -0.21 0.00 0.36 0.00 0.00 54.97 54.85 1bhw s GLU 217 Cb -0.24 -2.22 0.12 0.00 0.26 0.00 0.00 34.13 32.06 1bhw s GLU 217 CO 0.29 0.36 1.59 1.15 -0.54 0.00 0.00 175.26 178.11 1bhw h THR 218 N 5.11 0.19 -0.53 -1.70 2.02 -1.63 -2.12 112.91 114.25 1bhw h THR 218 Ca -0.31 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1bhw h THR 218 Cb 1.18 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1bhw h THR 218 CO 0.48 0.00 0.27 1.23 0.37 0.00 0.00 175.52 177.86 1bhw h GLY 219 N -0.16 0.79 0.96 2.16 0.00 -1.86 -3.06 103.07 101.90 1bhw h GLY 219 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1bhw h GLY 219 CO -0.66 0.34 -0.01 3.43 0.00 0.00 0.00 176.54 179.64 1bhw h ASN 220 N 0.74 -0.02 -0.05 0.19 4.21 -1.73 -0.33 115.58 118.59 1bhw h ASN 220 Ca 0.19 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.61 1bhw h ASN 220 Cb 0.06 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1bhw h ASN 220 CO -0.03 -0.01 -0.25 -0.33 -1.29 0.00 0.00 177.43 175.53 1bhw h GLU 221 N -0.00 0.47 0.00 0.81 4.39 -1.55 -2.81 114.58 115.88 1bhw h GLU 221 Ca 0.01 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 1bhw h GLU 221 Cb 0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1bhw h GLU 221 CO -0.02 0.69 -0.24 1.96 -1.16 0.00 0.00 179.01 180.24 1bhw h GLN 222 N 0.42 0.00 0.00 2.33 4.20 -1.39 -1.60 115.11 119.07 1bhw h GLN 222 Ca 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1bhw h GLN 222 Cb 0.66 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1bhw h GLN 222 CO 0.05 0.24 -0.04 0.52 -0.67 0.00 0.00 178.83 178.93 1bhw h MET 223 N 0.00 0.00 -0.27 1.46 2.86 -0.78 0.76 114.93 118.96 1bhw h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bhw h MET 223 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1bhw h MET 223 CO 0.03 0.04 0.00 0.43 1.06 0.00 0.00 176.91 178.47 1bhw n SER 224 N -3.26 2.92 -1.51 1.22 7.64 -1.00 -4.03 113.62 115.60 1bhw n SER 224 Ca -0.01 -1.85 -0.15 0.00 1.01 0.00 0.00 58.87 57.86 1bhw n SER 224 Cb 0.21 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 1bhw n SER 224 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bhw n ASN 225 N 1.02 -4.59 -4.91 6.43 5.15 0.26 -5.00 115.26 113.61 1bhw n ASN 225 Ca 0.14 0.11 -0.27 0.00 -0.60 0.00 0.00 54.58 53.96 1bhw n ASN 225 Cb 0.48 -3.62 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 1bhw n ASN 225 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1bhw s LEU 226 N -3.97 3.57 -0.50 1.20 1.43 -0.63 -4.97 118.68 114.82 1bhw s LEU 226 Ca 0.00 0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 53.72 1bhw s LEU 226 Cb 0.00 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.44 1bhw s LEU 226 CO 0.00 -0.65 0.99 0.21 0.23 0.00 0.00 176.35 177.13 1bhw s ASN 227 N -4.14 6.48 0.06 2.29 3.84 -1.26 -4.21 114.94 118.00 1bhw s ASN 227 Ca 0.48 0.06 -0.31 0.00 0.21 0.00 0.00 52.86 53.31 1bhw s ASN 227 Cb -0.10 -2.47 -0.18 0.00 -0.55 0.00 0.00 41.25 37.94 1bhw s ASN 227 CO 0.45 -1.16 1.54 0.15 -2.79 0.00 0.00 177.10 175.28 1bhw h PHE 228 N 9.20 -0.73 -0.73 0.43 3.57 -1.91 -2.11 116.94 124.66 1bhw h PHE 228 Ca -0.24 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.40 1bhw h PHE 228 Cb 1.07 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 39.94 1bhw h PHE 228 CO 0.91 -0.43 0.15 1.15 -2.23 0.00 0.00 178.31 177.86 1bhw h THR 229 N -0.86 0.49 -0.45 4.41 2.02 -1.92 -0.70 112.91 115.90 1bhw h THR 229 Ca -0.08 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1bhw h THR 229 Cb 0.63 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1bhw h THR 229 CO 0.13 0.04 0.01 1.56 0.37 0.00 0.00 175.52 177.64 1bhw h GLN 230 N 0.24 0.73 -0.14 6.66 4.20 -1.95 0.06 115.11 124.91 1bhw h GLN 230 Ca 0.41 -0.18 -0.16 0.00 0.06 0.00 0.00 58.65 58.78 1bhw h GLN 230 Cb 0.70 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1bhw h GLN 230 CO -0.53 0.73 -0.60 0.78 -0.67 0.00 0.00 178.83 178.55 1bhw h GLY 231 N 0.95 0.50 1.26 3.46 0.00 -0.47 -2.06 103.07 106.71 1bhw h GLY 231 Ca 0.14 -0.62 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 1bhw h GLY 231 CO 0.02 0.55 -0.51 -2.22 0.00 0.00 0.00 176.54 174.37 1bhw h ILE 232 N 0.34 1.29 -0.70 2.60 1.08 -0.99 -0.06 117.51 121.07 1bhw h ILE 232 Ca -0.00 -1.71 -0.03 0.00 -0.39 0.00 0.00 64.86 62.72 1bhw h ILE 232 Cb 1.14 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.48 1bhw h ILE 232 CO 0.11 0.55 0.32 0.00 -0.69 0.00 0.00 178.15 178.44 1bhw h ALA 233 N 0.81 1.24 -0.36 1.87 0.00 -0.75 -0.93 119.26 121.15 1bhw h ALA 233 Ca 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1bhw h ALA 233 Cb 1.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bhw h ALA 233 CO 0.11 0.57 -0.14 0.37 0.00 0.00 0.00 179.25 180.17 1bhw h GLN 234 N 1.00 0.72 -0.52 0.00 4.15 -1.07 -2.08 115.11 117.31 1bhw h GLN 234 Ca 0.24 -0.30 0.02 0.00 0.77 0.00 0.00 58.65 59.39 1bhw h GLN 234 Cb 0.13 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1bhw h GLN 234 CO -0.03 0.90 0.31 0.00 -1.93 0.00 0.00 178.83 178.09 1bhw h ALA 235 N 0.80 0.67 -0.38 3.38 0.00 -0.52 -1.85 119.26 121.35 1bhw h ALA 235 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1bhw h ALA 235 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1bhw h ALA 235 CO 0.05 0.02 -0.01 -0.07 0.00 0.00 0.00 179.25 179.24 1bhw h LEU 236 N 0.62 0.56 -0.55 0.00 3.38 -1.13 -0.49 115.31 117.71 1bhw h LEU 236 Ca 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1bhw h LEU 236 Cb 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1bhw h LEU 236 CO -0.09 0.64 0.32 -0.25 0.09 0.00 0.00 178.44 179.15 1bhw h TRP 237 N 0.57 0.74 0.00 1.13 7.01 -0.63 -1.97 115.95 122.80 1bhw h TRP 237 Ca 0.12 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1bhw h TRP 237 Cb 0.38 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1bhw h TRP 237 CO 0.01 0.52 0.00 0.45 -2.79 0.00 0.00 178.44 176.64 1bhw h HIS 238 N 0.74 0.00 -3.48 2.65 3.86 -1.11 -3.48 115.15 114.33 1bhw h HIS 238 Ca 0.20 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.15 1bhw h HIS 238 Cb 0.01 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.54 1bhw h HIS 238 CO -0.02 0.00 -0.40 1.63 0.86 0.00 0.00 177.93 180.00 1bhw n LYS 239 N -2.73 -3.98 -0.28 2.45 5.02 -0.31 -4.95 118.16 113.38 1bhw n LYS 239 Ca 0.03 0.55 0.07 0.00 -2.02 0.00 0.00 58.31 56.94 1bhw n LYS 239 Cb 0.39 -4.70 0.19 0.00 -0.02 0.00 0.00 35.03 30.89 1bhw n LYS 239 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bhw n LYS 240 N -3.06 2.91 -2.75 1.97 4.76 -0.50 -4.87 118.16 116.61 1bhw n LYS 240 Ca -0.04 -2.36 -0.43 0.00 -2.87 0.00 0.00 58.31 52.61 1bhw n LYS 240 Cb 0.56 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.24 1bhw n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bhw s LEU 241 N -1.72 4.37 0.23 -0.35 2.96 -1.25 -0.29 118.68 122.63 1bhw s LEU 241 Ca 0.31 -2.40 0.16 0.00 -0.22 0.00 0.00 54.13 51.97 1bhw s LEU 241 Cb 0.21 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.43 1bhw s LEU 241 CO 0.13 -1.07 1.28 -0.26 -1.32 0.00 0.00 176.35 175.11 1bhw h PHE 242 N 7.99 0.00 -2.45 5.38 -1.00 -1.82 -3.48 116.94 121.56 1bhw h PHE 242 Ca 0.32 0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.24 1bhw h PHE 242 Cb 0.92 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.39 1bhw h PHE 242 CO 1.26 0.49 0.44 -1.58 -1.61 0.00 0.00 178.31 177.30 1bhw s HIS 243 N -2.97 -0.20 -0.09 -0.55 2.46 -1.18 -4.89 115.29 107.87 1bhw s HIS 243 Ca 0.02 -0.10 -0.09 0.00 0.47 0.00 0.00 55.06 55.37 1bhw s HIS 243 Cb 0.08 0.63 0.02 0.00 -0.13 0.00 0.00 32.58 33.18 1bhw s HIS 243 CO 0.76 -0.83 0.26 -1.50 -2.47 0.00 0.00 174.74 170.95 1bhw s ILE 244 N -3.36 0.00 -0.21 0.89 2.07 -1.26 -3.98 121.20 115.34 1bhw s ILE 244 Ca 0.10 -0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1bhw s ILE 244 Cb -0.02 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 1bhw s ILE 244 CO 0.00 -0.01 -0.02 -1.81 -1.91 0.00 0.00 174.94 171.19 1bhw s ASP 245 N 0.08 4.56 -0.18 4.50 1.11 -0.64 -3.22 116.67 122.88 1bhw s ASP 245 Ca -0.00 -0.30 -0.08 0.00 0.18 0.00 0.00 52.55 52.34 1bhw s ASP 245 Cb -0.02 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.14 1bhw s ASP 245 CO 0.00 0.01 0.08 -0.76 1.18 0.00 0.00 175.17 175.68 1bhw s LEU 246 N 1.29 3.91 0.00 1.23 1.43 0.11 -1.73 118.68 124.92 1bhw s LEU 246 Ca 0.04 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1bhw s LEU 246 Cb -0.14 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1bhw s LEU 246 CO -0.00 0.19 0.29 -0.46 0.23 0.00 0.00 176.35 176.60 1bhw n ASN 247 N 3.44 -0.53 -4.29 2.29 0.23 -1.26 -2.24 115.26 112.91 1bhw n ASN 247 Ca -0.17 -1.29 -0.18 0.00 -0.53 0.00 0.00 54.58 52.41 1bhw n ASN 247 Cb 0.52 0.86 -0.11 0.00 -2.08 0.00 0.00 39.78 38.97 1bhw n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1bhw s GLY 248 N -2.24 1.23 -0.06 4.83 0.00 -0.12 -4.25 107.32 106.72 1bhw s GLY 248 Ca 0.06 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 1bhw s GLY 248 CO 0.02 -1.52 0.66 1.62 0.00 0.00 0.00 173.10 173.88 1bhw s GLN 249 N -3.08 1.03 -0.82 2.90 2.00 -1.26 -1.54 119.66 118.88 1bhw s GLN 249 Ca 0.15 0.27 0.01 0.00 -2.00 0.00 0.00 55.36 53.79 1bhw s GLN 249 Cb -0.03 0.48 0.25 0.00 0.80 0.00 0.00 33.01 34.52 1bhw s GLN 249 CO 0.04 -0.31 0.93 0.72 -0.50 0.00 0.00 175.29 176.17 1bhw n HIS 250 N 1.02 3.43 -4.88 1.67 8.25 -1.26 -3.36 115.22 120.09 1bhw n HIS 250 Ca -0.19 -3.76 0.00 0.00 -0.26 0.00 0.00 57.72 53.51 1bhw n HIS 250 Cb 0.57 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1bhw n HIS 250 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bhw n GLY 251 N 1.41 0.66 3.55 -1.41 0.00 -1.26 -4.57 105.19 103.56 1bhw n GLY 251 Ca 0.26 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1bhw n GLY 251 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bhw s PRO 252 N 0.00 2.47 0.10 1.61 0.04 -1.23 -4.32 135.00 133.68 1bhw s PRO 252 Ca 0.00 0.79 -0.07 0.00 0.04 0.00 0.00 61.00 61.76 1bhw s PRO 252 Cb 0.00 -4.47 0.03 0.00 0.04 0.00 0.00 34.50 30.10 1bhw s PRO 252 CO 0.00 -2.92 0.36 0.36 0.04 0.00 0.00 177.00 174.84 1bhw n LYS 253 N 9.13 0.31 -0.94 4.56 2.85 -1.26 -5.07 118.16 127.74 1bhw n LYS 253 Ca 0.26 -0.67 -0.33 0.00 -1.05 0.00 0.00 58.31 56.52 1bhw n LYS 253 Cb 0.53 0.87 0.13 0.00 -0.65 0.00 0.00 35.03 35.90 1bhw n LYS 253 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1bhw n PHE 254 N -0.25 0.15 -1.76 5.58 -1.74 -1.26 -4.87 117.46 113.31 1bhw n PHE 254 Ca -0.02 0.35 -0.42 0.00 -0.56 0.00 0.00 57.45 56.80 1bhw n PHE 254 Cb 0.22 -1.97 -0.03 0.00 1.52 0.00 0.00 39.48 39.23 1bhw n PHE 254 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bhw s ASP 255 N -2.12 5.48 -0.01 5.98 2.15 -1.26 -4.89 116.67 122.00 1bhw s ASP 255 Ca 0.66 1.52 0.05 0.00 0.43 0.00 0.00 52.55 55.22 1bhw s ASP 255 Cb -0.26 -2.52 -0.24 0.00 -0.30 0.00 0.00 42.92 39.60 1bhw s ASP 255 CO 0.58 -2.00 0.78 1.56 -0.17 0.00 0.00 175.17 175.92 1bhw h GLN 256 N 14.82 0.10 -5.92 4.34 4.20 -1.89 -3.49 115.11 127.27 1bhw h GLN 256 Ca -0.36 -0.17 -0.39 0.00 0.06 0.00 0.00 58.65 57.79 1bhw h GLN 256 Cb 1.21 0.06 0.10 0.00 0.30 0.00 0.00 27.48 29.16 1bhw h GLN 256 CO 1.02 0.84 -0.79 -0.25 -0.67 0.00 0.00 178.83 178.98 1bhw n ASP 257 N -3.26 -2.35 -4.76 1.46 8.00 -1.22 -4.74 116.55 109.68 1bhw n ASP 257 Ca -0.16 -0.71 -0.29 0.00 0.71 0.00 0.00 54.79 54.34 1bhw n ASP 257 Cb 1.03 -4.54 0.11 0.00 -0.02 0.00 0.00 41.12 37.70 1bhw n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bhw s LEU 258 N -6.68 2.45 0.59 0.64 1.43 -0.59 -0.46 118.68 116.07 1bhw s LEU 258 Ca 0.12 0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 53.75 1bhw s LEU 258 Cb -0.06 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1bhw s LEU 258 CO 0.77 -2.14 1.26 0.52 0.23 0.00 0.00 176.35 177.00 1bhw n VAL 259 N -3.46 4.24 -1.69 -1.59 0.31 -1.26 -0.94 118.33 113.94 1bhw n VAL 259 Ca 0.09 -0.50 -0.45 0.00 -0.01 0.00 0.00 64.34 63.47 1bhw n VAL 259 Cb 0.61 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 31.99 1bhw n VAL 259 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bhw n PHE 260 N -1.48 2.41 -0.53 3.52 7.35 -1.26 -1.66 117.46 125.80 1bhw n PHE 260 Ca 0.13 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1bhw n PHE 260 Cb 0.46 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1bhw n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bhw n GLY 261 N 3.27 0.97 0.21 7.13 0.00 -1.26 -4.80 105.19 110.72 1bhw n GLY 261 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1bhw n GLY 261 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bhw n HIS 262 N -2.00 0.00 0.00 1.61 8.25 -0.67 -4.34 115.22 118.08 1bhw n HIS 262 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bhw n HIS 262 Cb 0.00 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1bhw n HIS 262 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bhw n GLY 263 N 1.39 -0.00 3.41 -1.41 0.00 -1.26 -4.85 105.19 102.47 1bhw n GLY 263 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 1bhw n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bhw s ASP 264 N -0.81 6.41 0.15 1.61 -1.08 -1.21 -4.87 116.67 116.86 1bhw s ASP 264 Ca 0.00 -1.73 -0.14 0.00 -0.52 0.00 0.00 52.55 50.17 1bhw s ASP 264 Cb 0.00 -2.34 0.02 0.00 -1.46 0.00 0.00 42.92 39.14 1bhw s ASP 264 CO 0.00 -1.09 1.66 0.25 0.52 0.00 0.00 175.17 176.51 1bhw h LEU 265 N 10.10 0.72 -0.82 -1.34 5.85 -1.92 -2.00 115.31 125.90 1bhw h LEU 265 Ca -0.09 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1bhw h LEU 265 Cb 1.06 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1bhw h LEU 265 CO 1.07 0.76 0.37 -0.07 -0.34 0.00 0.00 178.44 180.23 1bhw h LEU 266 N 0.66 1.10 -0.58 2.25 3.38 -1.94 -2.09 115.31 118.09 1bhw h LEU 266 Ca 0.15 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1bhw h LEU 266 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1bhw h LEU 266 CO -0.00 0.95 -0.36 -1.13 0.09 0.00 0.00 178.44 177.98 1bhw h ASN 267 N 1.18 0.00 0.31 -0.43 -0.73 -1.96 -2.67 115.58 111.28 1bhw h ASN 267 Ca 0.28 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.29 1bhw h ASN 267 Cb 0.16 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1bhw h ASN 267 CO -0.03 0.36 -0.65 0.00 -0.37 0.00 0.00 177.43 176.74 1bhw h ALA 268 N 1.64 0.75 0.14 1.57 0.00 -0.85 -2.26 119.26 120.25 1bhw h ALA 268 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1bhw h ALA 268 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1bhw h ALA 268 CO 0.05 0.75 -0.07 0.35 0.00 0.00 0.00 179.25 180.32 1bhw h PHE 269 N 0.22 -0.18 -0.18 0.00 3.57 -1.26 -2.23 116.94 116.89 1bhw h PHE 269 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1bhw h PHE 269 Cb 1.18 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1bhw h PHE 269 CO 0.03 0.15 -0.09 0.66 -2.23 0.00 0.00 178.31 176.83 1bhw h SER 270 N -0.52 0.26 -0.08 0.41 4.64 -1.51 -1.67 113.55 115.07 1bhw h SER 270 Ca -0.02 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1bhw h SER 270 Cb 0.40 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1bhw h SER 270 CO 0.03 0.39 -0.02 0.25 -0.87 0.00 0.00 176.83 176.61 1bhw h LEU 271 N 0.27 0.16 -0.98 5.97 5.85 -1.38 -1.98 115.31 123.22 1bhw h LEU 271 Ca 0.06 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1bhw h LEU 271 Cb 0.33 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1bhw h LEU 271 CO 0.02 0.48 0.55 0.58 -0.34 0.00 0.00 178.44 179.73 1bhw h VAL 272 N -0.16 1.25 -0.20 1.05 2.07 -1.14 -0.58 116.25 118.54 1bhw h VAL 272 Ca 0.02 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1bhw h VAL 272 Cb 0.41 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1bhw h VAL 272 CO 0.01 0.27 0.13 -0.78 0.02 0.00 0.00 177.57 177.22 1bhw h ASP 273 N 1.27 0.24 -0.25 0.57 3.58 -1.29 -1.05 116.42 119.49 1bhw h ASP 273 Ca 0.33 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 1bhw h ASP 273 Cb -0.05 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1bhw h ASP 273 CO -0.06 0.18 0.10 0.25 -2.88 0.00 0.00 179.24 176.83 1bhw h LEU 274 N 0.27 0.34 -0.87 2.28 5.85 -0.77 0.18 115.31 122.59 1bhw h LEU 274 Ca 0.07 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1bhw h LEU 274 Cb -0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1bhw h LEU 274 CO -0.02 0.42 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.22 1bhw h LEU 275 N 0.25 0.60 0.02 2.25 3.38 -1.05 -3.37 115.31 117.38 1bhw h LEU 275 Ca 0.08 -0.20 -0.36 0.00 0.09 0.00 0.00 57.88 57.49 1bhw h LEU 275 Cb 0.18 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1bhw h LEU 275 CO -0.01 0.81 -2.24 -0.62 0.09 0.00 0.00 178.44 176.48 1bhw n GLU 276 N -4.13 0.68 -2.88 1.13 -0.58 -0.41 -0.80 120.64 113.65 1bhw n GLU 276 Ca 0.00 0.14 -0.43 0.00 -0.42 0.00 0.00 57.16 56.45 1bhw n GLU 276 Cb 0.40 -1.60 0.01 0.00 -0.57 0.00 0.00 31.44 29.68 1bhw n GLU 276 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1bhw n ASN 277 N -3.08 6.57 -4.55 1.62 3.02 0.05 -3.15 115.26 115.74 1bhw n ASN 277 Ca -0.34 -3.45 -0.25 0.00 -0.03 0.00 0.00 54.58 50.51 1bhw n ASN 277 Cb 1.07 -1.27 0.13 0.00 -0.61 0.00 0.00 39.78 39.10 1bhw n ASN 277 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1bhw s GLY 278 N -1.54 1.76 0.37 7.41 0.00 -0.15 -4.76 107.32 110.42 1bhw s GLY 278 Ca 0.33 -1.51 -0.26 0.00 0.00 0.00 0.00 44.72 43.28 1bhw s GLY 278 CO 0.06 -0.90 1.19 2.56 0.00 0.00 0.00 173.10 176.00 1bhw s PRO 279 N -5.36 4.17 -0.57 2.90 0.04 -1.20 -3.15 135.00 131.84 1bhw s PRO 279 Ca 0.68 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 1bhw s PRO 279 Cb -0.05 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1bhw s PRO 279 CO 0.47 -0.23 0.48 -0.40 0.04 0.00 0.00 177.00 177.36 1bhw n ASP 280 N 0.33 -2.75 0.00 6.66 5.68 -1.26 -3.67 116.55 121.55 1bhw n ASP 280 Ca 0.03 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 1bhw n ASP 280 Cb 0.45 -2.57 0.00 0.00 -1.14 0.00 0.00 41.12 37.86 1bhw n ASP 280 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bhw n GLY 281 N -1.11 0.26 3.73 6.12 0.00 -1.19 -4.88 105.19 108.14 1bhw n GLY 281 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1bhw n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 282 N 0.00 2.09 0.50 4.61 0.00 -1.24 -4.02 121.76 123.70 1bhw s ALA 282 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 1bhw s ALA 282 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1bhw s ALA 282 CO 0.00 -1.90 1.39 -0.35 0.00 0.00 0.00 175.76 174.90 1bhw n PRO 283 N -3.17 1.97 0.11 0.00 -0.04 -1.19 -0.98 135.00 131.71 1bhw n PRO 283 Ca 0.11 0.71 0.13 0.00 -0.04 0.00 0.00 63.50 64.41 1bhw n PRO 283 Cb 0.52 -2.60 0.36 0.00 -0.04 0.00 0.00 33.50 31.74 1bhw n PRO 283 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bhw h ALA 284 N 1.86 0.96 -3.66 0.55 0.00 -1.15 -3.44 119.26 114.39 1bhw h ALA 284 Ca -0.51 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 53.99 1bhw h ALA 284 Cb 1.29 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.76 1bhw h ALA 284 CO 0.59 0.00 -0.78 -0.47 0.00 0.00 0.00 179.25 178.59 1bhw s TYR 285 N -3.12 0.86 -0.24 0.00 5.04 -1.19 -5.05 117.35 113.65 1bhw s TYR 285 Ca 0.10 -0.23 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1bhw s TYR 285 Cb 0.12 -0.66 0.06 0.00 0.35 0.00 0.00 41.96 41.82 1bhw s TYR 285 CO 0.62 -0.14 0.96 -0.40 -1.34 0.00 0.00 175.55 175.25 1bhw n ASP 286 N 3.58 2.01 -2.31 4.32 5.75 -1.26 -4.92 116.55 123.73 1bhw n ASP 286 Ca -0.21 -1.82 -0.04 0.00 -0.01 0.00 0.00 54.79 52.71 1bhw n ASP 286 Cb 0.53 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.60 1bhw n ASP 286 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bhw n GLY 287 N -0.18 -0.19 3.76 6.12 0.00 -1.26 -5.04 105.19 108.41 1bhw n GLY 287 Ca 0.02 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1bhw n GLY 287 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bhw s PRO 288 N -3.07 3.67 -0.81 1.61 0.02 -1.26 -4.94 135.00 130.22 1bhw s PRO 288 Ca 0.10 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 63.01 1bhw s PRO 288 Cb -0.00 -2.48 0.21 0.00 0.02 0.00 0.00 34.50 32.25 1bhw s PRO 288 CO 0.07 -0.69 0.73 1.03 -0.33 0.00 0.00 177.00 177.81 1bhw s ARG 289 N -2.60 3.44 -0.18 5.54 3.00 -0.13 -4.26 118.95 123.76 1bhw s ARG 289 Ca 0.63 -2.55 -0.13 0.00 0.00 0.00 0.00 55.73 53.68 1bhw s ARG 289 Cb -0.34 -4.30 -0.05 0.00 0.00 0.00 0.00 34.95 30.26 1bhw s ARG 289 CO 0.42 -1.27 0.28 -1.58 0.00 0.00 0.00 175.30 173.16 1bhw s HIS 290 N -0.01 3.42 -0.40 -0.53 2.46 -1.20 -2.27 115.29 116.76 1bhw s HIS 290 Ca 0.19 0.52 -0.18 0.00 0.47 0.00 0.00 55.06 56.05 1bhw s HIS 290 Cb -0.12 -2.35 0.01 0.00 -0.13 0.00 0.00 32.58 29.99 1bhw s HIS 290 CO -0.08 0.17 0.52 -0.06 -2.47 0.00 0.00 174.74 172.81 1bhw s PHE 291 N 0.72 3.15 -0.69 3.88 0.08 -0.81 0.07 117.98 124.38 1bhw s PHE 291 Ca 0.15 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 1bhw s PHE 291 Cb -0.13 -3.02 0.17 0.00 -0.57 0.00 0.00 43.02 39.47 1bhw s PHE 291 CO 0.04 -0.68 0.51 0.34 -0.10 0.00 0.00 175.22 175.33 1bhw s ASP 292 N 1.84 5.23 0.36 1.36 2.15 -0.95 -3.83 116.67 122.84 1bhw s ASP 292 Ca 0.17 -3.23 0.06 0.00 0.43 0.00 0.00 52.55 49.99 1bhw s ASP 292 Cb -0.16 -1.81 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1bhw s ASP 292 CO 0.15 -0.27 0.24 -0.72 -0.17 0.00 0.00 175.17 174.40 1bhw s TYR 293 N -0.60 1.78 -0.03 -5.34 1.13 -1.26 -4.57 117.35 108.46 1bhw s TYR 293 Ca 0.21 -1.57 0.00 0.00 -1.41 0.00 0.00 57.07 54.30 1bhw s TYR 293 Cb -0.16 -0.86 0.03 0.00 -1.10 0.00 0.00 41.96 39.87 1bhw s TYR 293 CO -0.07 -0.70 0.02 0.15 -2.51 0.00 0.00 175.55 172.44 1bhw s LYS 294 N -3.50 0.12 0.19 -3.49 1.02 0.39 -4.46 119.74 110.00 1bhw s LYS 294 Ca 0.35 0.15 -0.31 0.00 0.02 0.00 0.00 55.97 56.17 1bhw s LYS 294 Cb 0.02 -0.38 -0.10 0.00 -0.52 0.00 0.00 37.83 36.85 1bhw s LYS 294 CO 0.24 -0.17 1.56 -2.14 -0.92 0.00 0.00 175.35 173.92 1bhw s PRO 295 N 1.13 4.21 0.57 -1.68 0.02 -1.26 -4.66 135.00 133.33 1bhw s PRO 295 Ca -0.08 2.38 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 1bhw s PRO 295 Cb -0.13 -3.13 -0.07 0.00 0.02 0.00 0.00 34.50 31.19 1bhw s PRO 295 CO -0.02 -0.59 0.81 0.43 -0.33 0.00 0.00 177.00 177.30 1bhw n SER 296 N 3.58 0.16 0.32 2.53 7.64 -1.26 -4.86 113.62 121.73 1bhw n SER 296 Ca 0.12 0.81 0.20 0.00 1.01 0.00 0.00 58.87 61.01 1bhw n SER 296 Cb 0.38 -1.30 1.09 0.00 -1.01 0.00 0.00 64.21 63.37 1bhw n SER 296 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1bhw h ARG 297 N 0.52 0.00 0.00 1.43 2.43 -1.91 -2.33 114.38 114.52 1bhw h ARG 297 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1bhw h ARG 297 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1bhw h ARG 297 CO 0.50 0.01 0.00 0.25 -1.51 0.00 0.00 179.97 179.22 1bhw n THR 298 N -3.33 0.24 -3.95 0.20 -2.24 -1.26 -4.84 114.28 99.09 1bhw n THR 298 Ca -0.03 0.06 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 1bhw n THR 298 Cb 0.09 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 1bhw n THR 298 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bhw s GLU 299 N -2.62 3.38 0.35 -0.78 0.41 -0.88 -5.11 118.70 113.45 1bhw s GLU 299 Ca 0.22 -0.56 0.05 0.00 -0.41 0.00 0.00 54.97 54.26 1bhw s GLU 299 Cb 0.16 -2.96 0.05 0.00 -1.78 0.00 0.00 34.13 29.60 1bhw s GLU 299 CO 0.38 0.55 0.40 -0.40 -0.49 0.00 0.00 175.26 175.70 1bhw n ASP 300 N -0.19 1.59 0.10 -0.19 5.68 -1.26 -4.86 116.55 117.42 1bhw n ASP 300 Ca -0.06 -2.02 0.18 0.00 -0.50 0.00 0.00 54.79 52.38 1bhw n ASP 300 Cb 0.53 -0.17 0.74 0.00 -1.14 0.00 0.00 41.12 41.08 1bhw n ASP 300 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1bhw h TYR 301 N 0.26 0.00 -0.16 2.11 0.05 -1.98 0.16 116.97 117.40 1bhw h TYR 301 Ca -0.18 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.39 1bhw h TYR 301 Cb 0.77 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.52 1bhw h TYR 301 CO 0.00 0.00 -0.73 -0.44 -1.05 0.00 0.00 178.16 175.94 1bhw h ASP 302 N 0.00 0.87 -0.25 3.88 3.32 -2.00 -2.28 116.42 119.95 1bhw h ASP 302 Ca 0.17 -0.55 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 1bhw h ASP 302 Cb 0.77 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1bhw h ASP 302 CO -0.00 1.33 -0.09 1.23 -1.72 0.00 0.00 179.24 179.99 1bhw h GLY 303 N 0.72 0.69 0.73 2.75 0.00 -1.20 -1.00 103.07 105.76 1bhw h GLY 303 Ca -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1bhw h GLY 303 CO 0.15 0.45 -0.32 -2.08 0.00 0.00 0.00 176.54 174.73 1bhw h VAL 304 N 0.59 0.33 -0.23 4.60 2.07 -0.45 0.29 116.25 123.44 1bhw h VAL 304 Ca 0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1bhw h VAL 304 Cb 0.51 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1bhw h VAL 304 CO 0.03 0.00 -0.13 -0.50 0.02 0.00 0.00 177.57 176.99 1bhw h TRP 305 N -0.73 0.40 -0.26 1.57 4.06 -1.28 -1.83 115.95 117.88 1bhw h TRP 305 Ca -0.03 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.87 1bhw h TRP 305 Cb 0.63 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1bhw h TRP 305 CO -0.16 0.50 0.16 1.49 -3.56 0.00 0.00 178.44 176.88 1bhw h GLU 306 N 0.35 0.33 -0.43 0.49 4.57 -0.86 -1.92 114.58 117.11 1bhw h GLU 306 Ca 0.07 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1bhw h GLU 306 Cb 0.45 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1bhw h GLU 306 CO 0.03 0.22 -0.04 0.66 -1.18 0.00 0.00 179.01 178.69 1bhw h SER 307 N 0.34 0.71 -0.34 1.04 4.64 -0.60 -0.82 113.55 118.51 1bhw h SER 307 Ca 0.10 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1bhw h SER 307 Cb -0.03 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1bhw h SER 307 CO -0.03 0.80 0.16 0.00 -0.87 0.00 0.00 176.83 176.89 1bhw h ALA 308 N 1.27 0.43 -0.28 5.18 0.00 -0.99 -2.64 119.26 122.24 1bhw h ALA 308 Ca 0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1bhw h ALA 308 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1bhw h ALA 308 CO 0.02 -0.00 -0.20 0.87 0.00 0.00 0.00 179.25 179.94 1bhw h LYS 309 N 0.40 0.50 -0.49 0.00 1.57 -1.21 -2.86 116.57 114.49 1bhw h LYS 309 Ca 0.11 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1bhw h LYS 309 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1bhw h LYS 309 CO -0.01 0.68 0.15 0.00 -0.57 0.00 0.00 179.45 179.70 1bhw h ALA 310 N 1.33 1.35 -0.00 3.86 0.00 -0.81 -0.44 119.26 124.54 1bhw h ALA 310 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bhw h ALA 310 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bhw h ALA 310 CO 0.04 0.47 -0.05 -0.91 0.00 0.00 0.00 179.25 178.81 1bhw h ASN 311 N 0.70 -0.13 0.06 0.00 2.35 -1.24 -0.78 115.58 116.54 1bhw h ASN 311 Ca 0.16 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1bhw h ASN 311 Cb 0.22 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1bhw h ASN 311 CO -0.01 -0.07 -0.03 0.40 -1.65 0.00 0.00 177.43 176.07 1bhw h ILE 312 N -0.08 0.97 -0.76 2.81 2.04 -1.53 -2.47 117.51 118.50 1bhw h ILE 312 Ca 0.02 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1bhw h ILE 312 Cb 0.11 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1bhw h ILE 312 CO -0.05 0.02 0.48 -0.09 0.00 0.00 0.00 178.15 178.51 1bhw h ARG 313 N -0.11 0.91 0.26 2.37 2.43 -0.94 -1.46 114.38 117.83 1bhw h ARG 313 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1bhw h ARG 313 Cb 0.09 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1bhw h ARG 313 CO 0.01 0.60 -0.15 0.52 -1.51 0.00 0.00 179.97 179.45 1bhw h MET 314 N 0.94 -0.37 -0.24 0.20 2.86 -1.04 -0.53 114.93 116.74 1bhw h MET 314 Ca 0.30 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 1bhw h MET 314 Cb 0.01 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1bhw h MET 314 CO -0.11 -0.25 0.07 -0.92 1.06 0.00 0.00 176.91 176.76 1bhw h TYR 315 N -0.39 0.13 -0.62 -0.22 5.03 -1.19 -2.06 116.97 117.65 1bhw h TYR 315 Ca -0.03 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 1bhw h TYR 315 Cb 0.31 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1bhw h TYR 315 CO -0.08 0.05 0.01 -0.07 -1.32 0.00 0.00 178.16 176.76 1bhw h LEU 316 N 0.18 1.06 -0.84 2.82 3.38 -1.15 -0.48 115.31 120.26 1bhw h LEU 316 Ca 0.11 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1bhw h LEU 316 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1bhw h LEU 316 CO -0.12 1.10 -0.08 -0.07 0.09 0.00 0.00 178.44 179.36 1bhw h LEU 317 N 0.99 0.77 -0.25 1.67 3.38 -1.01 -2.35 115.31 118.51 1bhw h LEU 317 Ca 0.18 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1bhw h LEU 317 Cb 0.55 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1bhw h LEU 317 CO 0.03 0.88 -0.34 -0.07 0.09 0.00 0.00 178.44 179.03 1bhw h LEU 318 N 0.71 0.72 -0.24 1.67 3.38 -1.20 -2.61 115.31 117.74 1bhw h LEU 318 Ca 0.13 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1bhw h LEU 318 Cb 0.55 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1bhw h LEU 318 CO 0.03 1.09 -0.03 0.50 0.09 0.00 0.00 178.44 180.12 1bhw h LYS 319 N 0.38 0.03 -0.53 1.13 3.64 -0.98 0.50 116.57 120.73 1bhw h LYS 319 Ca 0.03 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1bhw h LYS 319 Cb 0.92 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 1bhw h LYS 319 CO 0.08 0.02 0.24 1.49 -2.27 0.00 0.00 179.45 179.01 1bhw h GLU 320 N 0.03 0.44 -0.06 1.90 4.81 -1.43 -1.53 114.58 118.74 1bhw h GLU 320 Ca 0.12 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 1bhw h GLU 320 Cb 0.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1bhw h GLU 320 CO -0.23 0.29 -0.68 0.00 -0.73 0.00 0.00 179.01 177.66 1bhw h ARG 321 N 0.45 0.28 -0.61 1.92 3.08 -1.04 -2.58 114.38 115.88 1bhw h ARG 321 Ca 0.25 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1bhw h ARG 321 Cb 0.22 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1bhw h ARG 321 CO -0.21 0.86 0.09 0.00 -1.07 0.00 0.00 179.97 179.64 1bhw h ALA 322 N 1.08 0.82 -0.19 0.04 0.00 -0.44 -1.01 119.26 119.55 1bhw h ALA 322 Ca -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1bhw h ALA 322 Cb 1.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1bhw h ALA 322 CO 0.11 0.58 -0.04 0.87 0.00 0.00 0.00 179.25 180.76 1bhw h LYS 323 N 0.93 0.36 -0.75 0.00 1.57 -1.29 -2.43 116.57 114.96 1bhw h LYS 323 Ca 0.19 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1bhw h LYS 323 Cb 0.43 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1bhw h LYS 323 CO 0.01 0.62 0.50 0.00 -0.57 0.00 0.00 179.45 180.01 1bhw h ALA 324 N 0.73 1.48 0.31 3.86 0.00 -1.33 -1.32 119.26 123.01 1bhw h ALA 324 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bhw h ALA 324 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1bhw h ALA 324 CO 0.02 0.47 -0.22 0.35 0.00 0.00 0.00 179.25 179.87 1bhw h PHE 325 N 1.00 -0.58 -0.25 0.00 3.57 -0.98 -2.22 116.94 117.48 1bhw h PHE 325 Ca 0.28 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1bhw h PHE 325 Cb -0.08 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1bhw h PHE 325 CO -0.00 -0.34 -0.13 0.00 -2.23 0.00 0.00 178.31 175.62 1bhw h ARG 326 N -0.53 0.42 0.00 1.11 2.47 -1.08 -2.79 114.38 113.99 1bhw h ARG 326 Ca -0.03 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1bhw h ARG 326 Cb 0.45 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1bhw h ARG 326 CO 0.01 0.55 0.00 0.00 0.56 0.00 0.00 179.97 181.08 1bhw n ALA 327 N -2.48 2.16 -2.41 0.04 0.00 -0.53 -4.74 120.51 112.55 1bhw n ALA 327 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1bhw n ALA 327 Cb 0.31 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 1bhw n ALA 327 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bhw s ASP 328 N -4.20 7.04 0.34 0.00 -1.08 -0.85 -4.92 116.67 113.01 1bhw s ASP 328 Ca 0.10 1.96 0.03 0.00 -0.52 0.00 0.00 52.55 54.12 1bhw s ASP 328 Cb 0.13 -2.57 0.62 0.00 -1.46 0.00 0.00 42.92 39.64 1bhw s ASP 328 CO 0.54 -0.54 1.95 -0.65 0.52 0.00 0.00 175.17 176.98 1bhw h PRO 329 N 7.17 0.70 -0.09 4.34 0.11 -1.88 0.56 132.00 142.91 1bhw h PRO 329 Ca -0.38 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1bhw h PRO 329 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1bhw h PRO 329 CO 0.85 0.55 -0.49 0.93 -0.21 0.00 0.00 178.00 179.63 1bhw h GLU 330 N 0.70 0.23 -0.22 1.05 5.08 -1.94 0.19 114.58 119.66 1bhw h GLU 330 Ca 0.17 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1bhw h GLU 330 Cb 0.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1bhw h GLU 330 CO -0.02 0.67 -0.15 0.28 -1.00 0.00 0.00 179.01 178.79 1bhw h VAL 331 N 0.18 1.31 -0.87 3.13 2.07 -1.30 -0.95 116.25 119.83 1bhw h VAL 331 Ca 0.01 -1.26 0.10 0.00 0.82 0.00 0.00 66.70 66.37 1bhw h VAL 331 Cb 0.93 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 1bhw h VAL 331 CO 0.08 0.39 0.51 1.56 0.02 0.00 0.00 177.57 180.12 1bhw h GLN 332 N 0.19 0.83 -0.34 1.57 1.08 0.46 0.52 115.11 119.41 1bhw h GLN 332 Ca 0.04 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 1bhw h GLN 332 Cb 0.67 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1bhw h GLN 332 CO 0.04 0.55 -0.26 1.49 -0.95 0.00 0.00 178.83 179.69 1bhw h GLU 333 N 0.85 0.70 -0.21 1.46 4.81 -0.79 -2.16 114.58 119.24 1bhw h GLU 333 Ca 0.42 -0.30 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 1bhw h GLU 333 Cb 0.38 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1bhw h GLU 333 CO -0.25 0.89 -0.56 0.00 -0.73 0.00 0.00 179.01 178.37 1bhw h ALA 334 N 1.10 0.36 -0.88 2.92 0.00 0.59 -2.27 119.26 121.08 1bhw h ALA 334 Ca 0.08 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1bhw h ALA 334 Cb 0.76 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1bhw h ALA 334 CO 0.06 0.58 0.55 -0.07 0.00 0.00 0.00 179.25 180.37 1bhw h LEU 335 N 0.49 0.86 -0.07 0.00 3.38 0.04 -0.30 115.31 119.71 1bhw h LEU 335 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1bhw h LEU 335 Cb 1.18 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1bhw h LEU 335 CO 0.12 0.55 0.02 0.00 0.09 0.00 0.00 178.44 179.22 1bhw h ALA 336 N 1.41 0.09 0.00 1.53 0.00 -1.32 -1.52 119.26 119.46 1bhw h ALA 336 Ca 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1bhw h ALA 336 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1bhw h ALA 336 CO -0.17 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.62 1bhw h ALA 337 N 0.83 1.52 0.00 0.00 0.00 -0.97 -2.02 119.26 118.62 1bhw h ALA 337 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bhw h ALA 337 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bhw h ALA 337 CO -0.00 0.19 -0.28 0.43 0.00 0.00 0.00 179.25 179.59 1bhw n SER 338 N -4.03 0.38 -2.13 0.00 7.64 -0.16 -4.72 113.62 110.60 1bhw n SER 338 Ca -0.02 0.17 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 1bhw n SER 338 Cb 0.24 -0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1bhw n SER 338 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bhw n LYS 339 N -1.67 -1.77 -0.11 1.43 5.02 -0.61 -4.91 118.16 115.53 1bhw n LYS 339 Ca 0.06 0.87 -0.05 0.00 -2.02 0.00 0.00 58.31 57.16 1bhw n LYS 339 Cb 0.36 -5.38 0.03 0.00 -0.02 0.00 0.00 35.03 30.01 1bhw n LYS 339 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bhw h VAL 340 N -0.14 0.78 0.00 -0.18 2.07 -1.74 -2.33 116.25 114.71 1bhw h VAL 340 Ca -0.43 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1bhw h VAL 340 Cb 1.32 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1bhw h VAL 340 CO 0.51 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.13 1bhw h ALA 341 N 1.30 1.00 0.00 1.67 0.00 -1.91 -3.12 119.26 118.19 1bhw h ALA 341 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1bhw h ALA 341 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bhw h ALA 341 CO -0.26 0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.48 1bhw h GLU 342 N 0.00 0.00 0.00 0.00 4.81 -1.80 -1.95 114.58 115.64 1bhw h GLU 342 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1bhw h GLU 342 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1bhw h GLU 342 CO 0.00 0.00 -0.25 1.25 -0.73 0.00 0.00 179.01 179.28 1bhw h LEU 343 N 0.00 0.00 -0.22 1.64 5.85 -1.62 -2.93 115.31 118.03 1bhw h LEU 343 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bhw h LEU 343 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1bhw h LEU 343 CO 0.00 0.25 0.00 0.11 -0.34 0.00 0.00 178.44 178.46 1bhw h LYS 344 N 0.00 0.00 -6.34 1.25 1.57 -1.55 -3.44 116.57 108.05 1bhw h LYS 344 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.23 1bhw h LYS 344 Cb 0.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1bhw h LYS 344 CO 0.03 0.00 0.31 0.99 -0.57 0.00 0.00 179.45 180.21 1bhw s THR 345 N -3.27 4.88 0.51 -0.16 2.01 -1.11 -5.00 115.64 113.50 1bhw s THR 345 Ca 0.06 1.93 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 1bhw s THR 345 Cb 0.06 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 1bhw s THR 345 CO 0.64 0.19 0.87 -2.65 -0.69 0.00 0.00 174.62 172.98 1bhw n PRO 346 N 3.79 0.99 -0.22 4.92 -0.02 -1.26 -4.89 135.00 138.31 1bhw n PRO 346 Ca 0.04 0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 61.81 1bhw n PRO 346 Cb 0.51 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 32.04 1bhw n PRO 346 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1bhw h THR 347 N 0.91 1.26 -2.97 3.45 2.02 -1.94 -3.43 112.91 112.21 1bhw h THR 347 Ca -0.46 -0.96 -0.61 0.00 0.77 0.00 0.00 66.41 65.15 1bhw h THR 347 Cb 1.36 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 1bhw h THR 347 CO 0.53 0.36 -0.33 -0.76 0.37 0.00 0.00 175.52 175.68 1bhw s LEU 348 N -9.53 4.37 0.61 2.58 1.43 -1.26 -5.08 118.68 111.80 1bhw s LEU 348 Ca -0.12 0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 53.47 1bhw s LEU 348 Cb 0.13 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1bhw s LEU 348 CO 0.83 0.24 1.11 0.20 0.23 0.00 0.00 176.35 178.96 1bhw s ASN 349 N -1.64 5.39 0.19 2.29 0.01 -1.26 -4.90 114.94 115.02 1bhw s ASN 349 Ca 0.28 2.06 -0.33 0.00 -0.71 0.00 0.00 52.86 54.17 1bhw s ASN 349 Cb -0.14 -2.56 -0.14 0.00 0.41 0.00 0.00 41.25 38.82 1bhw s ASN 349 CO 0.16 -1.44 1.46 -2.65 -1.51 0.00 0.00 177.10 173.12 1bhw n PRO 350 N -1.95 1.98 -0.64 -0.60 -0.02 -1.26 -1.05 135.00 131.47 1bhw n PRO 350 Ca 0.11 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1bhw n PRO 350 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1bhw n PRO 350 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bhw n GLY 351 N 2.68 1.72 3.78 -1.23 0.00 -1.26 -5.03 105.19 105.85 1bhw n GLY 351 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1bhw n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bhw s GLU 352 N -0.00 4.51 0.01 1.61 2.12 -0.21 -5.02 118.70 121.71 1bhw s GLU 352 Ca 0.00 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1bhw s GLU 352 Cb 0.00 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.23 1bhw s GLU 352 CO 0.00 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1bhw n GLY 353 N 1.37 4.10 0.29 -1.50 0.00 -1.26 -4.81 105.19 103.38 1bhw n GLY 353 Ca -0.05 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.13 1bhw n GLY 353 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1bhw h TYR 354 N 1.01 0.11 -0.16 1.61 -0.00 -1.99 -1.18 116.97 116.39 1bhw h TYR 354 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 1bhw h TYR 354 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 36.71 1bhw h TYR 354 CO 0.00 0.07 0.07 0.00 -0.00 0.00 0.00 178.16 178.30 1bhw h ALA 355 N 1.89 0.21 -0.39 0.10 0.00 -1.99 0.27 119.26 119.34 1bhw h ALA 355 Ca 0.09 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1bhw h ALA 355 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bhw h ALA 355 CO -0.01 -0.22 -0.31 0.93 0.00 0.00 0.00 179.25 179.63 1bhw h GLU 356 N 0.12 0.87 -0.66 0.00 3.07 -1.85 -2.68 114.58 113.45 1bhw h GLU 356 Ca 0.05 -0.42 -0.04 0.00 -0.50 0.00 0.00 59.36 58.46 1bhw h GLU 356 Cb 0.14 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 1bhw h GLU 356 CO -0.01 1.06 0.27 1.25 -1.40 0.00 0.00 179.01 180.18 1bhw h LEU 357 N 0.73 0.91 -1.71 1.33 5.85 -0.93 -2.61 115.31 118.88 1bhw h LEU 357 Ca 0.08 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1bhw h LEU 357 Cb 0.88 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1bhw h LEU 357 CO 0.08 0.83 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.92 1bhw h LEU 358 N 0.93 0.15 -0.04 2.25 3.38 -0.89 -2.16 115.31 118.94 1bhw h LEU 358 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1bhw h LEU 358 Cb 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1bhw h LEU 358 CO -0.02 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1bhw n ALA 359 N -2.51 2.25 -2.69 1.53 0.00 -1.00 -4.67 120.51 113.42 1bhw n ALA 359 Ca -0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1bhw n ALA 359 Cb 0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1bhw n ALA 359 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bhw s ASP 360 N -4.51 6.33 0.53 0.00 2.15 -0.81 -4.88 116.67 115.48 1bhw s ASP 360 Ca 0.10 -1.12 0.19 0.00 0.43 0.00 0.00 52.55 52.15 1bhw s ASP 360 Cb 0.12 -2.50 1.37 0.00 -0.30 0.00 0.00 42.92 41.61 1bhw s ASP 360 CO 0.59 -1.52 2.17 0.03 -0.17 0.00 0.00 175.17 176.26 1bhw h ARG 361 N 9.66 0.00 0.00 4.34 3.08 -1.85 -2.22 114.38 127.38 1bhw h ARG 361 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1bhw h ARG 361 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1bhw h ARG 361 CO 1.27 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.83 1bhw h SER 362 N 0.00 0.00 0.24 7.04 4.64 -1.90 0.23 113.55 123.81 1bhw h SER 362 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bhw h SER 362 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1bhw h SER 362 CO 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 175.73 1bhw n ALA 363 N -2.02 3.01 -0.59 5.18 0.00 -0.83 -4.03 120.51 121.23 1bhw n ALA 363 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1bhw n ALA 363 Cb 0.22 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1bhw n ALA 363 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bhw n PHE 364 N -0.64 -0.78 -0.26 0.00 7.35 -0.70 -4.85 117.46 117.58 1bhw n PHE 364 Ca 0.13 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.89 1bhw n PHE 364 Cb 0.34 0.20 0.20 0.00 0.35 0.00 0.00 39.48 40.58 1bhw n PHE 364 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1bhw h GLU 365 N 0.00 0.29 -0.43 -4.13 3.07 -1.67 -0.61 114.58 111.11 1bhw h GLU 365 Ca 0.00 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1bhw h GLU 365 Cb 0.00 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 27.78 1bhw h GLU 365 CO 0.00 0.19 0.06 -0.25 -1.40 0.00 0.00 179.01 177.62 1bhw n ASP 366 N -5.13 3.94 -4.72 1.42 8.00 0.74 -4.98 116.55 115.82 1bhw n ASP 366 Ca 0.15 -3.23 -0.39 0.00 0.71 0.00 0.00 54.79 52.03 1bhw n ASP 366 Cb 0.49 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.91 1bhw n ASP 366 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1bhw s TYR 367 N -2.97 3.56 -1.14 1.24 5.04 -0.24 -4.82 117.35 118.03 1bhw s TYR 367 Ca 0.47 1.18 -0.14 0.00 -2.44 0.00 0.00 57.07 56.14 1bhw s TYR 367 Cb 0.39 -2.76 0.18 0.00 0.35 0.00 0.00 41.96 40.12 1bhw s TYR 367 CO 0.09 0.09 1.32 0.34 -1.34 0.00 0.00 175.55 176.05 1bhw s ASP 368 N 0.78 7.03 0.36 4.32 -1.08 -1.26 -4.85 116.67 121.96 1bhw s ASP 368 Ca 0.35 -2.92 0.03 0.00 -0.52 0.00 0.00 52.55 49.50 1bhw s ASP 368 Cb -0.17 -2.37 0.68 0.00 -1.46 0.00 0.00 42.92 39.59 1bhw s ASP 368 CO 0.16 -0.73 2.01 0.00 0.52 0.00 0.00 175.17 177.13 1bhw h ALA 369 N 7.37 1.59 -0.62 3.66 0.00 -1.95 -2.45 119.26 126.86 1bhw h ALA 369 Ca 0.27 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1bhw h ALA 369 Cb 0.90 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1bhw h ALA 369 CO 1.18 0.37 0.12 -0.44 0.00 0.00 0.00 179.25 180.48 1bhw h ASP 370 N 0.81 0.97 -0.36 0.00 3.32 -1.98 -0.00 116.42 119.17 1bhw h ASP 370 Ca 0.23 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1bhw h ASP 370 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1bhw h ASP 370 CO -0.06 0.97 -0.19 0.00 -1.72 0.00 0.00 179.24 178.24 1bhw h ALA 371 N 1.03 0.50 -0.57 3.45 0.00 -1.90 -3.02 119.26 118.76 1bhw h ALA 371 Ca 0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1bhw h ALA 371 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1bhw h ALA 371 CO 0.01 0.45 0.20 0.28 0.00 0.00 0.00 179.25 180.19 1bhw h VAL 372 N 0.55 1.23 0.00 0.00 2.07 -1.26 -2.94 116.25 115.89 1bhw h VAL 372 Ca 0.08 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1bhw h VAL 372 Cb 0.74 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1bhw h VAL 372 CO 0.06 0.29 0.00 1.23 0.02 0.00 0.00 177.57 179.17 1bhw h GLY 373 N 0.80 0.00 1.73 2.17 0.00 -0.95 -2.85 103.07 103.97 1bhw h GLY 373 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1bhw h GLY 373 CO -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 176.17 1bhw h ALA 374 N 2.01 0.82 -2.48 3.60 0.00 -1.39 -3.46 119.26 118.37 1bhw h ALA 374 Ca 0.00 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.27 1bhw h ALA 374 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1bhw h ALA 374 CO 0.00 0.13 0.32 0.15 0.00 0.00 0.00 179.25 179.85 1bhw s LYS 375 N -3.20 4.55 0.56 0.00 1.02 -1.08 -5.06 119.74 116.54 1bhw s LYS 375 Ca 0.04 1.33 -0.09 0.00 0.02 0.00 0.00 55.97 57.27 1bhw s LYS 375 Cb 0.07 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1bhw s LYS 375 CO 0.71 0.01 0.94 0.20 -0.92 0.00 0.00 175.35 176.29 1bhw s GLY 376 N 0.83 1.64 0.00 -3.33 0.00 -1.26 -5.02 107.32 100.18 1bhw s GLY 376 Ca 0.49 -0.21 0.22 0.00 0.00 0.00 0.00 44.72 45.22 1bhw s GLY 376 CO 0.27 0.02 1.04 0.69 0.00 0.00 0.00 173.10 175.12 1bhw n PHE 377 N -2.47 0.00 -2.08 1.90 3.01 -1.26 -4.99 117.46 111.58 1bhw n PHE 377 Ca 0.04 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.36 1bhw n PHE 377 Cb 0.54 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1bhw n PHE 377 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bhw n GLY 378 N 1.46 0.16 0.26 1.37 0.00 -1.26 -3.66 105.19 103.52 1bhw n GLY 378 Ca 0.06 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1bhw n GLY 378 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bhw h PHE 379 N 0.00 1.04 -0.10 1.61 0.04 -1.94 -2.70 116.94 114.88 1bhw h PHE 379 Ca -0.33 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.16 1bhw h PHE 379 Cb 1.18 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1bhw h PHE 379 CO 0.38 1.09 0.05 0.28 -0.60 0.00 0.00 178.31 179.51 1bhw h VAL 380 N 0.73 1.00 -0.58 -0.55 2.07 -1.99 0.33 116.25 117.26 1bhw h VAL 380 Ca 0.07 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1bhw h VAL 380 Cb 0.92 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1bhw h VAL 380 CO 0.08 0.02 0.31 0.50 0.02 0.00 0.00 177.57 178.50 1bhw h LYS 381 N 0.11 0.57 -0.44 1.57 3.64 -1.97 -0.32 116.57 119.74 1bhw h LYS 381 Ca 0.04 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1bhw h LYS 381 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1bhw h LYS 381 CO -0.02 0.38 0.25 1.25 -2.27 0.00 0.00 179.45 179.04 1bhw h LEU 382 N 0.59 0.40 -0.45 5.20 5.85 -1.19 -1.23 115.31 124.48 1bhw h LEU 382 Ca 0.25 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1bhw h LEU 382 Cb 0.14 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1bhw h LEU 382 CO -0.16 0.29 0.11 -1.13 -0.34 0.00 0.00 178.44 177.20 1bhw h ASN 383 N 0.51 0.69 -0.95 1.25 -1.24 -0.36 -2.53 115.58 112.94 1bhw h ASN 383 Ca 0.18 -0.23 0.04 0.00 0.71 0.00 0.00 56.30 57.00 1bhw h ASN 383 Cb 0.03 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 38.84 1bhw h ASN 383 CO -0.09 0.74 0.61 -0.61 -1.29 0.00 0.00 177.43 176.80 1bhw h GLN 384 N 0.60 1.13 -0.53 6.67 5.75 -0.84 -1.57 115.11 126.32 1bhw h GLN 384 Ca 0.14 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1bhw h GLN 384 Cb 0.33 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1bhw h GLN 384 CO 0.00 0.75 0.04 -0.07 -2.65 0.00 0.00 178.83 176.90 1bhw h LEU 385 N 1.17 0.88 -0.08 -2.39 3.38 -1.05 -1.36 115.31 115.86 1bhw h LEU 385 Ca 0.39 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1bhw h LEU 385 Cb 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1bhw h LEU 385 CO -0.14 0.95 -0.09 0.00 0.09 0.00 0.00 178.44 179.25 1bhw h ALA 386 N 0.96 -0.03 -0.62 1.53 0.00 -0.97 -2.06 119.26 118.07 1bhw h ALA 386 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1bhw h ALA 386 Cb 0.48 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1bhw h ALA 386 CO 0.02 -0.56 0.33 0.82 0.00 0.00 0.00 179.25 179.86 1bhw h ILE 387 N -0.12 1.20 -0.26 0.00 2.04 -1.21 -0.37 117.51 118.79 1bhw h ILE 387 Ca 0.06 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1bhw h ILE 387 Cb 0.21 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1bhw h ILE 387 CO -0.16 0.23 0.05 -0.33 0.00 0.00 0.00 178.15 177.94 1bhw h GLU 388 N 0.84 0.37 -0.38 2.37 5.08 -1.11 0.19 114.58 121.94 1bhw h GLU 388 Ca 0.22 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1bhw h GLU 388 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bhw h GLU 388 CO -0.03 0.35 -0.14 0.45 -1.00 0.00 0.00 179.01 178.64 1bhw h HIS 389 N 0.36 0.88 -0.85 4.33 3.86 -0.81 0.58 115.15 123.50 1bhw h HIS 389 Ca 0.09 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1bhw h HIS 389 Cb 0.16 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 1bhw h HIS 389 CO 0.00 0.93 0.40 1.25 0.86 0.00 0.00 177.93 181.38 1bhw h LEU 390 N 0.57 1.12 0.00 2.43 5.85 0.32 -2.05 115.31 123.54 1bhw h LEU 390 Ca 0.09 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1bhw h LEU 390 Cb 0.68 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1bhw h LEU 390 CO 0.05 0.94 0.00 0.18 -0.34 0.00 0.00 178.44 179.27 1bhw n LEU 391 N -4.30 0.00 -1.32 2.25 4.77 0.54 -4.89 117.00 114.06 1bhw n LEU 391 Ca 0.08 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1bhw n LEU 391 Cb 0.14 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1bhw n LEU 391 CO 0.40 -0.02 -0.15 0.61 -1.33 0.00 0.00 177.39 176.90 1bhw n GLY 392 N 0.80 0.15 0.39 -0.72 0.00 -0.77 -4.90 105.19 100.14 1bhw n GLY 392 Ca 0.17 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1bhw n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw n ALA 393 N -1.05 2.94 -0.98 4.61 0.00 0.16 -5.03 120.51 121.17 1bhw n ALA 393 Ca -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1bhw n ALA 393 Cb 0.57 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1bhw n ALA 393 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04