#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbm s VAL 3 N 0.00 2.81 -0.09 3.15 1.01 -0.03 -0.08 120.40 127.16 3hbm s VAL 3 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3hbm s VAL 3 Cb 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3hbm s VAL 3 CO 0.00 0.49 -0.17 -0.22 0.00 0.00 0.00 175.10 175.20 3hbm s LEU 4 N -1.00 1.84 -0.18 3.92 2.96 -0.06 -1.41 118.68 124.75 3hbm s LEU 4 Ca 0.13 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.44 3hbm s LEU 4 Cb -0.10 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3hbm s LEU 4 CO 0.02 0.07 0.38 -0.36 -1.32 0.00 0.00 176.35 175.14 3hbm s PHE 5 N 0.68 3.41 -0.41 5.38 0.40 0.45 0.09 117.98 127.99 3hbm s PHE 5 Ca -0.13 0.64 -0.13 0.00 -0.60 0.00 0.00 56.93 56.71 3hbm s PHE 5 Cb -0.16 -2.48 0.04 0.00 0.51 0.00 0.00 43.02 40.92 3hbm s PHE 5 CO 0.03 0.07 0.27 0.50 0.70 0.00 0.00 175.22 176.80 3hbm s ARG 6 N 1.02 2.88 -0.21 0.44 6.06 0.10 -0.58 118.95 128.66 3hbm s ARG 6 Ca 0.19 -1.13 -0.27 0.00 -2.50 0.00 0.00 55.73 52.03 3hbm s ARG 6 Cb -0.14 -3.89 0.07 0.00 0.06 0.00 0.00 34.95 31.05 3hbm s ARG 6 CO 0.07 -0.79 0.73 0.45 -2.50 0.00 0.00 175.30 173.27 3hbm s SER 7 N 1.79 -0.70 0.29 -2.12 0.15 -1.20 -1.17 113.70 110.73 3hbm s SER 7 Ca 0.03 1.21 0.11 0.00 0.70 0.00 0.00 55.95 58.00 3hbm s SER 7 Cb -0.20 1.18 -0.05 0.00 -1.71 0.00 0.00 66.02 65.24 3hbm s SER 7 CO 0.08 -0.34 -0.11 -1.81 1.20 0.00 0.00 173.24 172.26 3hbm s ASP 8 N -0.05 3.91 0.05 5.45 1.01 -1.26 -4.45 116.67 121.32 3hbm s ASP 8 Ca -0.03 -0.96 -0.04 0.00 0.71 0.00 0.00 52.55 52.24 3hbm s ASP 8 Cb -0.04 -0.46 -0.02 0.00 1.01 0.00 0.00 42.92 43.41 3hbm s ASP 8 CO 0.03 -0.04 0.05 -0.94 0.21 0.00 0.00 175.17 174.48 3hbm s SER 9 N -3.59 0.29 0.07 0.27 1.04 -1.26 -4.46 113.70 106.06 3hbm s SER 9 Ca 0.31 -0.71 -0.26 0.00 0.48 0.00 0.00 55.95 55.78 3hbm s SER 9 Cb -0.04 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.39 3hbm s SER 9 CO 0.17 -0.54 1.18 -0.94 0.98 0.00 0.00 173.24 174.09 3hbm s SER 10 N -2.40 -0.01 0.20 7.02 1.04 -1.22 -4.18 113.70 114.16 3hbm s SER 10 Ca -0.01 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.94 3hbm s SER 10 Cb 0.02 0.30 0.25 0.00 0.10 0.00 0.00 66.02 66.68 3hbm s SER 10 CO -0.07 -0.58 1.77 0.28 0.98 0.00 0.00 173.24 175.62 3hbm h SER 11 N 2.00 0.34 0.12 7.02 0.02 -1.50 -1.63 113.55 119.93 3hbm h SER 11 Ca -0.25 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3hbm h SER 11 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3hbm h SER 11 CO 0.33 0.21 -0.06 1.56 -1.14 0.00 0.00 176.83 177.73 3hbm h GLN 12 N 0.50 -0.16 -0.22 3.45 4.20 -1.95 -3.34 115.11 117.60 3hbm h GLN 12 Ca 0.29 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 3hbm h GLN 12 Cb 0.29 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3hbm h GLN 12 CO -0.24 0.32 -0.13 0.82 -0.67 0.00 0.00 178.83 178.92 3hbm h ILE 13 N -0.79 1.21 0.00 2.54 2.04 -1.92 -3.50 117.51 117.09 3hbm h ILE 13 Ca -0.02 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3hbm h ILE 13 Cb 0.55 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3hbm h ILE 13 CO 0.03 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.08 3hbm n GLY 14 N -0.75 -0.32 0.49 5.37 0.00 -0.61 -4.72 105.19 104.65 3hbm n GLY 14 Ca -0.00 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.29 3hbm n GLY 14 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hbm n PHE 15 N -0.37 0.00 -0.25 1.61 3.72 -1.26 -3.37 117.46 117.54 3hbm n PHE 15 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 3hbm n PHE 15 Cb 0.00 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.67 3hbm n PHE 15 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hbm h GLY 16 N 4.26 1.16 0.75 1.37 0.00 -1.92 -0.06 103.07 108.64 3hbm h GLY 16 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 3hbm h GLY 16 CO 0.00 0.56 -0.18 0.45 0.00 0.00 0.00 176.54 177.37 3hbm h HIS 17 N 1.07 -0.47 -0.60 5.60 3.86 -1.85 -2.34 115.15 120.43 3hbm h HIS 17 Ca 0.25 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.49 3hbm h HIS 17 Cb 0.15 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 3hbm h HIS 17 CO 0.01 -0.16 0.34 0.82 0.86 0.00 0.00 177.93 179.81 3hbm h ILE 18 N -0.76 1.01 -0.32 2.45 1.08 -1.71 0.74 117.51 120.01 3hbm h ILE 18 Ca -0.05 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 3hbm h ILE 18 Cb 0.51 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 3hbm h ILE 18 CO 0.08 0.12 0.17 0.11 -0.69 0.00 0.00 178.15 177.95 3hbm h LYS 19 N 0.66 0.45 -0.19 2.37 1.79 -1.03 0.33 116.57 120.94 3hbm h LYS 19 Ca 0.26 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.58 3hbm h LYS 19 Cb 0.10 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3hbm h LYS 19 CO -0.14 0.38 -0.30 0.07 -1.08 0.00 0.00 179.45 178.38 3hbm h ARG 20 N 0.39 0.38 -0.63 3.15 0.11 -1.23 -2.87 114.38 113.69 3hbm h ARG 20 Ca 0.11 -0.15 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 3hbm h ARG 20 Cb 0.07 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 3hbm h ARG 20 CO -0.02 0.65 0.22 -0.44 0.10 0.00 0.00 179.97 180.48 3hbm h ASP 21 N 0.33 0.87 -0.12 0.08 3.32 -0.28 -1.86 116.42 118.77 3hbm h ASP 21 Ca 0.04 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3hbm h ASP 21 Cb 0.70 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3hbm h ASP 21 CO 0.05 0.80 0.02 -0.07 -1.72 0.00 0.00 179.24 178.32 3hbm h LEU 22 N 0.92 0.25 -0.14 1.55 3.38 -0.73 0.27 115.31 120.80 3hbm h LEU 22 Ca 0.21 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3hbm h LEU 22 Cb 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hbm h LEU 22 CO -0.01 0.29 -0.06 0.58 0.09 0.00 0.00 178.44 179.32 3hbm h VAL 23 N 0.28 1.31 -0.53 1.22 2.07 -1.19 -3.16 116.25 116.24 3hbm h VAL 23 Ca 0.07 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3hbm h VAL 23 Cb 0.16 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3hbm h VAL 23 CO 0.00 0.32 0.14 0.25 0.02 0.00 0.00 177.57 178.30 3hbm h LEU 24 N -0.05 0.74 -2.04 2.57 5.85 -0.94 -2.68 115.31 118.75 3hbm h LEU 24 Ca 0.03 -0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.75 3hbm h LEU 24 Cb 0.52 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3hbm h LEU 24 CO 0.02 0.71 0.34 0.00 -0.34 0.00 0.00 178.44 179.18 3hbm h ALA 25 N 1.39 2.27 0.00 1.25 0.00 -0.45 -0.99 119.26 122.73 3hbm h ALA 25 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hbm h ALA 25 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hbm h ALA 25 CO -0.00 -0.56 0.00 0.87 0.00 0.00 0.00 179.25 179.56 3hbm h LYS 26 N 0.00 0.00 0.00 0.00 1.57 -1.52 -2.17 116.57 114.46 3hbm h LYS 26 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3hbm h LYS 26 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3hbm h LYS 26 CO -0.00 0.00 0.00 1.96 -0.57 0.00 0.00 179.45 180.84 3hbm h GLN 27 N 0.00 0.00 -6.12 3.15 1.08 -1.37 -3.46 115.11 108.39 3hbm h GLN 27 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 3hbm h GLN 27 Cb 0.09 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 27.33 3hbm h GLN 27 CO 0.00 0.00 -0.80 0.71 -0.95 0.00 0.00 178.83 177.79 3hbm s TYR 28 N -3.51 1.89 -0.05 2.96 2.02 -0.82 -5.06 117.35 114.78 3hbm s TYR 28 Ca 0.03 -0.44 0.18 0.00 -0.37 0.00 0.00 57.07 56.47 3hbm s TYR 28 Cb 0.08 -0.97 -0.27 0.00 -0.40 0.00 0.00 41.96 40.40 3hbm s TYR 28 CO 0.57 0.32 0.35 -1.13 -1.57 0.00 0.00 175.55 174.08 3hbm n SER 29 N 0.53 0.84 -3.97 2.29 3.41 -1.26 -4.72 113.62 110.73 3hbm n SER 29 Ca -0.15 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.15 3hbm n SER 29 Cb 0.56 1.69 -0.14 0.00 -0.26 0.00 0.00 64.21 66.06 3hbm n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hbm s ASP 30 N -4.25 4.44 -0.05 4.04 2.15 -1.26 -5.03 116.67 116.71 3hbm s ASP 30 Ca -0.07 -2.92 0.06 0.00 0.43 0.00 0.00 52.55 50.05 3hbm s ASP 30 Cb 0.11 -1.66 -0.02 0.00 -0.30 0.00 0.00 42.92 41.05 3hbm s ASP 30 CO 0.75 -0.26 -0.22 -0.69 -0.17 0.00 0.00 175.17 174.58 3hbm s VAL 31 N -0.16 2.34 0.12 1.11 1.01 -1.26 -0.85 120.40 122.71 3hbm s VAL 31 Ca 0.16 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3hbm s VAL 31 Cb -0.25 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3hbm s VAL 31 CO -0.01 0.57 -0.01 -0.44 0.00 0.00 0.00 175.10 175.21 3hbm s SER 32 N -0.35 0.85 0.16 3.32 0.01 -0.50 -4.17 113.70 113.02 3hbm s SER 32 Ca 0.02 -1.09 0.11 0.00 1.31 0.00 0.00 55.95 56.29 3hbm s SER 32 Cb -0.12 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 3hbm s SER 32 CO 0.02 -0.58 -0.24 -0.36 0.41 0.00 0.00 173.24 172.50 3hbm s PHE 33 N -3.79 2.18 -0.18 2.43 0.08 0.11 -0.41 117.98 118.40 3hbm s PHE 33 Ca 0.17 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.84 3hbm s PHE 33 Cb 0.07 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.43 3hbm s PHE 33 CO -0.02 0.41 -0.14 0.00 -0.10 0.00 0.00 175.22 175.37 3hbm s ALA 34 N -1.52 2.02 0.02 5.36 0.00 0.26 -0.16 121.76 127.75 3hbm s ALA 34 Ca 0.17 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3hbm s ALA 34 Cb -0.08 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3hbm s ALA 34 CO 0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 175.76 175.18 3hbm s LEU 36 N -0.97 4.48 -0.29 0.00 1.43 -1.26 -1.00 118.68 121.06 3hbm s LEU 36 Ca -0.04 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 54.75 3hbm s LEU 36 Cb -0.07 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 3hbm s LEU 36 CO 0.00 -0.19 1.50 -2.16 0.23 0.00 0.00 176.35 175.73 3hbm s PRO 37 N -0.08 3.75 0.08 1.29 0.04 -1.26 -4.86 135.00 133.95 3hbm s PRO 37 Ca 0.49 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.96 3hbm s PRO 37 Cb -0.27 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 3hbm s PRO 37 CO 0.32 -1.34 -0.14 -0.51 0.04 0.00 0.00 177.00 175.37 3hbm s LEU 38 N 5.14 2.30 0.12 -3.56 1.43 -1.26 -5.09 118.68 117.75 3hbm s LEU 38 Ca 0.66 -0.65 -0.33 0.00 -1.03 0.00 0.00 54.13 52.78 3hbm s LEU 38 Cb -0.20 -0.51 -0.13 0.00 0.03 0.00 0.00 46.19 45.38 3hbm s LEU 38 CO 0.28 -0.09 1.69 -0.62 0.23 0.00 0.00 176.35 177.84 3hbm n GLU 39 N 1.17 2.35 -1.01 1.70 -0.58 -1.26 -2.12 120.64 120.89 3hbm n GLU 39 Ca -0.20 0.85 -0.00 0.00 -0.42 0.00 0.00 57.16 57.38 3hbm n GLU 39 Cb 0.55 -2.66 -0.00 0.00 -0.57 0.00 0.00 31.44 28.75 3hbm n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbm n GLY 40 N 3.79 0.46 3.72 0.62 0.00 -1.26 -1.97 105.19 110.55 3hbm n GLY 40 Ca 0.18 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3hbm n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hbm s SER 41 N -2.38 3.75 -0.14 1.61 1.04 -0.90 -3.84 113.70 112.85 3hbm s SER 41 Ca 0.00 1.73 0.12 0.00 0.48 0.00 0.00 55.95 58.27 3hbm s SER 41 Cb 0.00 -2.38 0.58 0.00 0.10 0.00 0.00 66.02 64.31 3hbm s SER 41 CO 0.00 -2.50 1.41 0.18 0.98 0.00 0.00 173.24 173.31 3hbm n LEU 42 N -3.81 4.14 -0.28 2.42 4.77 -1.26 -4.67 117.00 118.29 3hbm n LEU 42 Ca 0.08 -2.09 0.10 0.00 -0.03 0.00 0.00 56.01 54.07 3hbm n LEU 42 Cb 0.54 -0.58 0.26 0.00 -2.33 0.00 0.00 43.42 41.31 3hbm n LEU 42 CO 0.54 0.57 0.98 0.40 -1.33 0.00 0.00 177.39 178.55 3hbm h ILE 43 N 2.99 0.46 0.00 -0.08 2.04 -1.93 0.16 117.51 121.14 3hbm h ILE 43 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hbm h ILE 43 Cb 1.40 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3hbm h ILE 43 CO 0.28 0.06 0.00 0.44 0.00 0.00 0.00 178.15 178.93 3hbm h ASP 44 N 0.32 0.00 1.37 1.72 3.32 -2.00 -2.67 116.42 118.47 3hbm h ASP 44 Ca 0.51 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.49 3hbm h ASP 44 Cb 0.94 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3hbm h ASP 44 CO -0.55 0.00 -0.32 -0.08 -1.72 0.00 0.00 179.24 176.57 3hbm h GLU 45 N 0.00 0.00 -6.27 3.56 4.22 -1.05 -3.45 114.58 111.59 3hbm h GLU 45 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.87 3hbm h GLU 45 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3hbm h GLU 45 CO 0.00 0.32 0.98 0.42 -2.18 0.00 0.00 179.01 178.56 3hbm s ILE 46 N -3.25 4.08 -0.31 2.32 1.01 -0.94 -4.90 121.20 119.20 3hbm s ILE 46 Ca 0.03 1.25 0.02 0.00 0.00 0.00 0.00 60.65 61.95 3hbm s ILE 46 Cb 0.08 -3.99 0.25 0.00 0.01 0.00 0.00 42.46 38.80 3hbm s ILE 46 CO 0.69 -0.32 1.22 -0.81 0.00 0.00 0.00 174.94 175.72 3hbm n PRO 47 N 7.15 1.67 -4.36 2.79 -0.04 -1.26 -4.80 135.00 136.16 3hbm n PRO 47 Ca 0.15 -1.05 -0.18 0.00 -0.04 0.00 0.00 63.50 62.38 3hbm n PRO 47 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3hbm n PRO 47 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3hbm s TYR 48 N -1.26 1.69 0.19 0.54 2.02 -1.26 -5.10 117.35 114.16 3hbm s TYR 48 Ca 0.19 -0.74 -0.33 0.00 -0.37 0.00 0.00 57.07 55.82 3hbm s TYR 48 Cb 0.16 -0.91 -0.14 0.00 -0.40 0.00 0.00 41.96 40.67 3hbm s TYR 48 CO 0.04 0.18 1.50 -2.30 -1.57 0.00 0.00 175.55 173.40 3hbm n PRO 49 N -0.44 2.09 -4.02 -1.71 -0.01 -1.26 -4.81 135.00 124.85 3hbm n PRO 49 Ca -0.07 0.75 -0.33 0.00 -0.01 0.00 0.00 63.50 63.84 3hbm n PRO 49 Cb 0.62 -2.47 -0.15 0.00 -0.01 0.00 0.00 33.50 31.50 3hbm n PRO 49 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 3hbm s VAL 50 N 0.50 2.46 -0.03 -1.45 1.01 -1.26 -0.72 120.40 120.92 3hbm s VAL 50 Ca 0.74 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3hbm s VAL 50 Cb -0.67 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3hbm s VAL 50 CO 0.43 0.04 1.14 -0.31 0.00 0.00 0.00 175.10 176.40 3hbm s TYR 51 N 1.19 3.36 -0.26 5.22 2.02 0.78 -4.94 117.35 124.72 3hbm s TYR 51 Ca -0.05 1.36 -0.17 0.00 -0.37 0.00 0.00 57.07 57.83 3hbm s TYR 51 Cb -0.19 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.00 3hbm s TYR 51 CO -0.05 -0.96 0.49 -1.21 -1.57 0.00 0.00 175.55 172.25 3hbm s GLU 52 N 1.74 4.07 -0.04 -0.62 2.02 -1.26 -1.03 118.70 123.58 3hbm s GLU 52 Ca 0.55 0.27 -0.26 0.00 0.02 0.00 0.00 54.97 55.55 3hbm s GLU 52 Cb -0.24 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 3hbm s GLU 52 CO 0.24 -0.32 0.82 -0.51 0.02 0.00 0.00 175.26 175.51 3hbm s LEU 53 N 2.21 4.34 0.04 1.80 1.43 -0.17 -4.94 118.68 123.38 3hbm s LEU 53 Ca 0.20 1.40 0.28 0.00 -1.03 0.00 0.00 54.13 54.98 3hbm s LEU 53 Cb -0.16 -3.30 1.05 0.00 0.03 0.00 0.00 46.19 43.81 3hbm s LEU 53 CO 0.09 -0.18 1.82 -1.54 0.23 0.00 0.00 176.35 176.77 3hbm n SER 54 N 3.82 0.22 -3.80 2.29 3.41 -1.26 -4.33 113.62 113.97 3hbm n SER 54 Ca 0.02 0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.95 3hbm n SER 54 Cb 0.51 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3hbm n SER 54 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hbm s SER 55 N -3.29 -0.31 -0.01 4.04 1.04 -1.26 -5.02 113.70 108.89 3hbm s SER 55 Ca 0.13 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.13 3hbm s SER 55 Cb 0.18 0.71 0.28 0.00 0.10 0.00 0.00 66.02 67.29 3hbm s SER 55 CO 0.57 -1.29 1.21 -0.62 0.98 0.00 0.00 173.24 174.09 3hbm n GLU 56 N -0.45 1.80 -1.87 4.02 1.02 -1.26 -4.93 120.64 118.97 3hbm n GLU 56 Ca -0.06 -1.14 -0.42 0.00 -0.02 0.00 0.00 57.16 55.52 3hbm n GLU 56 Cb 0.60 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 3hbm n GLU 56 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hbm s SER 57 N -0.94 6.52 0.50 1.62 0.15 -1.26 -4.86 113.70 115.42 3hbm s SER 57 Ca 0.21 2.70 0.26 0.00 0.70 0.00 0.00 55.95 59.82 3hbm s SER 57 Cb 0.11 -2.60 1.29 0.00 -1.71 0.00 0.00 66.02 63.12 3hbm s SER 57 CO 0.13 -0.87 2.00 -0.29 1.20 0.00 0.00 173.24 175.42 3hbm h ILE 58 N 3.95 0.61 0.00 6.45 6.09 -2.01 -1.67 117.51 130.93 3hbm h ILE 58 Ca -0.43 -0.71 -0.05 0.00 -1.37 0.00 0.00 64.86 62.31 3hbm h ILE 58 Cb 1.20 1.46 -0.01 0.00 0.47 0.00 0.00 36.82 39.94 3hbm h ILE 58 CO 0.93 0.16 -0.22 1.88 -3.07 0.00 0.00 178.15 177.82 3hbm h TYR 59 N 0.00 0.00 -0.26 2.19 0.05 -1.98 -0.87 116.97 116.10 3hbm h TYR 59 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3hbm h TYR 59 Cb 0.44 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3hbm h TYR 59 CO 0.00 0.22 -0.19 1.49 -1.05 0.00 0.00 178.16 178.64 3hbm h GLU 60 N 0.00 0.58 -0.45 4.88 4.81 -1.68 0.51 114.58 123.23 3hbm h GLU 60 Ca -0.00 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3hbm h GLU 60 Cb 0.84 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3hbm h GLU 60 CO 0.03 0.86 0.29 1.25 -0.73 0.00 0.00 179.01 180.71 3hbm h LEU 61 N 0.30 0.50 -0.67 1.64 5.85 -1.45 -2.28 115.31 119.19 3hbm h LEU 61 Ca 0.05 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hbm h LEU 61 Cb 0.72 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3hbm h LEU 61 CO 0.05 0.36 0.40 0.40 -0.34 0.00 0.00 178.44 179.31 3hbm h ILE 62 N 0.59 1.04 -0.71 4.05 2.04 -1.10 -1.58 117.51 121.85 3hbm h ILE 62 Ca 0.17 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.83 3hbm h ILE 62 Cb -0.05 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.17 3hbm h ILE 62 CO -0.05 0.14 0.40 -1.13 0.00 0.00 0.00 178.15 177.52 3hbm h ASN 63 N 0.77 0.60 -0.53 1.72 -1.24 -0.61 -1.24 115.58 115.05 3hbm h ASN 63 Ca 0.28 0.03 -0.10 0.00 0.71 0.00 0.00 56.30 57.22 3hbm h ASN 63 Cb 0.09 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 3hbm h ASN 63 CO -0.14 0.39 -0.06 0.25 -1.29 0.00 0.00 177.43 176.57 3hbm h LEU 64 N 0.74 0.97 -0.43 0.34 5.85 -0.99 0.11 115.31 121.90 3hbm h LEU 64 Ca 0.32 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hbm h LEU 64 Cb 0.19 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hbm h LEU 64 CO -0.18 1.08 0.19 0.40 -0.34 0.00 0.00 178.44 179.59 3hbm h ILE 65 N 0.85 1.19 -0.22 4.05 2.04 -0.87 -1.63 117.51 122.91 3hbm h ILE 65 Ca 0.14 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3hbm h ILE 65 Cb 0.62 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3hbm h ILE 65 CO 0.04 0.21 0.07 0.11 0.00 0.00 0.00 178.15 178.58 3hbm h LYS 66 N 0.55 0.34 -0.49 2.37 1.57 -1.05 -1.00 116.57 118.87 3hbm h LYS 66 Ca 0.15 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3hbm h LYS 66 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hbm h LYS 66 CO -0.02 0.43 -0.16 0.93 -0.57 0.00 0.00 179.45 180.07 3hbm h GLU 67 N 0.18 0.98 -0.01 3.15 4.39 -0.90 -3.02 114.58 119.35 3hbm h GLU 67 Ca 0.07 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3hbm h GLU 67 Cb 0.24 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3hbm h GLU 67 CO -0.00 1.07 -0.20 0.39 -1.16 0.00 0.00 179.01 179.11 3hbm n GLU 68 N -4.16 1.32 -3.63 2.33 -0.58 -0.62 -4.96 120.64 110.34 3hbm n GLU 68 Ca 0.00 -0.89 -0.23 0.00 -0.42 0.00 0.00 57.16 55.63 3hbm n GLU 68 Cb 0.43 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.88 3hbm n GLU 68 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hbm n LYS 69 N -0.06 -6.57 -1.92 3.49 5.02 -0.41 -4.93 118.16 112.77 3hbm n LYS 69 Ca 0.14 0.75 -0.40 0.00 -2.02 0.00 0.00 58.31 56.78 3hbm n LYS 69 Cb 0.40 -5.68 0.01 0.00 -0.02 0.00 0.00 35.03 29.74 3hbm n LYS 69 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3hbm s PHE 70 N -3.39 2.63 -0.19 2.13 0.08 -1.04 -4.94 117.98 113.25 3hbm s PHE 70 Ca 0.32 1.34 0.18 0.00 0.12 0.00 0.00 56.93 58.89 3hbm s PHE 70 Cb -0.15 -3.79 -0.25 0.00 -0.57 0.00 0.00 43.02 38.26 3hbm s PHE 70 CO 0.76 -2.52 0.11 0.39 -0.10 0.00 0.00 175.22 173.86 3hbm n GLU 71 N -0.08 0.69 -4.13 0.44 1.02 0.88 -4.83 120.64 114.63 3hbm n GLU 71 Ca 0.05 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 3hbm n GLU 71 Cb 0.43 -1.54 -0.16 0.00 -0.02 0.00 0.00 31.44 30.15 3hbm n GLU 71 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3hbm s LEU 72 N -5.53 1.35 -0.22 -4.62 2.96 -1.07 -2.29 118.68 109.26 3hbm s LEU 72 Ca -0.10 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 3hbm s LEU 72 Cb 0.06 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.33 3hbm s LEU 72 CO 0.83 -0.05 0.01 -0.22 -1.32 0.00 0.00 176.35 175.59 3hbm s LEU 73 N 0.85 3.20 -0.32 -0.68 2.96 0.19 -0.88 118.68 124.01 3hbm s LEU 73 Ca -0.11 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 3hbm s LEU 73 Cb -0.14 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3hbm s LEU 73 CO -0.00 0.02 0.18 -0.63 -1.32 0.00 0.00 176.35 174.60 3hbm s ILE 74 N 1.29 4.85 -0.25 6.68 1.01 0.11 -0.83 121.20 134.06 3hbm s ILE 74 Ca 0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 3hbm s ILE 74 Cb -0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3hbm s ILE 74 CO 0.01 0.06 0.14 -0.63 0.00 0.00 0.00 174.94 174.52 3hbm s ILE 75 N 1.66 5.04 -0.47 2.92 1.01 0.70 0.01 121.20 132.06 3hbm s ILE 75 Ca 0.05 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.83 3hbm s ILE 75 Cb -0.17 -3.36 0.20 0.00 0.01 0.00 0.00 42.46 39.14 3hbm s ILE 75 CO 0.08 0.32 0.47 -0.67 0.00 0.00 0.00 174.94 175.13 3hbm n ASP 76 N 4.63 0.67 -3.61 3.58 -0.08 -0.32 -0.79 116.55 120.64 3hbm n ASP 76 Ca -0.15 -2.71 -0.02 0.00 -1.51 0.00 0.00 54.79 50.40 3hbm n ASP 76 Cb 0.52 -0.62 -0.05 0.00 2.34 0.00 0.00 41.12 43.31 3hbm n ASP 76 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 3hbm s HIS 77 N -0.84 -1.26 0.42 -0.67 2.46 -1.26 -4.36 115.29 109.78 3hbm s HIS 77 Ca 0.33 2.11 0.32 0.00 0.47 0.00 0.00 55.06 58.30 3hbm s HIS 77 Cb 0.08 0.68 1.66 0.00 -0.13 0.00 0.00 32.58 34.87 3hbm s HIS 77 CO -0.15 -0.65 2.13 1.88 -2.47 0.00 0.00 174.74 175.48 3hbm h TYR 78 N 8.04 0.00 -0.01 3.88 0.05 -1.97 -2.93 116.97 124.03 3hbm h TYR 78 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3hbm h TYR 78 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3hbm h TYR 78 CO 0.18 0.07 -0.05 0.41 -1.05 0.00 0.00 178.16 177.72 3hbm n GLY 79 N -0.66 -0.61 3.45 3.88 0.00 -1.26 -4.71 105.19 105.28 3hbm n GLY 79 Ca -0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3hbm n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbm s ILE 80 N -2.17 4.98 0.72 -0.61 -1.09 -1.11 -5.07 121.20 116.84 3hbm s ILE 80 Ca 0.37 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 3hbm s ILE 80 Cb 0.21 -3.68 0.08 0.00 -1.58 0.00 0.00 42.46 37.49 3hbm s ILE 80 CO 0.40 -0.15 1.02 -0.94 -1.23 0.00 0.00 174.94 174.04 3hbm s SER 81 N 1.65 4.66 0.21 3.58 1.04 -1.26 -4.89 113.70 118.68 3hbm s SER 81 Ca 0.04 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 3hbm s SER 81 Cb -0.18 -0.92 0.15 0.00 0.10 0.00 0.00 66.02 65.17 3hbm s SER 81 CO 0.09 -1.69 1.86 0.58 0.98 0.00 0.00 173.24 175.06 3hbm h VAL 82 N -0.63 1.21 -0.78 5.02 2.07 -1.98 -0.78 116.25 120.38 3hbm h VAL 82 Ca -0.43 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3hbm h VAL 82 Cb 1.30 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3hbm h VAL 82 CO 0.56 0.21 0.47 0.44 0.02 0.00 0.00 177.57 179.27 3hbm h ASP 83 N 1.02 0.93 -0.26 0.57 3.32 -1.98 -0.59 116.42 119.43 3hbm h ASP 83 Ca 0.27 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hbm h ASP 83 Cb -0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3hbm h ASP 83 CO -0.05 0.72 0.13 0.44 -1.72 0.00 0.00 179.24 178.76 3hbm h ASP 84 N 1.07 0.34 -0.78 6.45 3.32 -1.74 -1.61 116.42 123.48 3hbm h ASP 84 Ca 0.28 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3hbm h ASP 84 Cb -0.04 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3hbm h ASP 84 CO -0.05 0.36 0.36 -0.33 -1.72 0.00 0.00 179.24 177.86 3hbm h GLU 85 N 0.30 1.14 -0.35 3.56 5.08 -0.75 0.21 114.58 123.76 3hbm h GLU 85 Ca 0.09 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hbm h GLU 85 Cb 0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3hbm h GLU 85 CO -0.01 0.88 0.20 0.87 -1.00 0.00 0.00 179.01 179.96 3hbm h LYS 86 N 1.12 0.48 -0.30 2.33 1.57 -0.87 -1.63 116.57 119.28 3hbm h LYS 86 Ca 0.27 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3hbm h LYS 86 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hbm h LYS 86 CO -0.03 0.37 0.15 1.25 -0.57 0.00 0.00 179.45 180.62 3hbm h LEU 87 N 0.45 0.38 -0.50 2.94 5.85 -0.88 -0.85 115.31 122.70 3hbm h LEU 87 Ca 0.12 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3hbm h LEU 87 Cb 0.02 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3hbm h LEU 87 CO -0.02 0.39 0.23 0.40 -0.34 0.00 0.00 178.44 179.09 3hbm h ILE 88 N 0.35 0.91 -0.22 4.05 2.04 -0.84 0.12 117.51 123.90 3hbm h ILE 88 Ca 0.10 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hbm h ILE 88 Cb 0.11 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3hbm h ILE 88 CO -0.01 0.08 0.12 0.50 0.00 0.00 0.00 178.15 178.84 3hbm h LYS 89 N 0.44 0.31 -0.11 2.37 1.63 -1.06 -0.70 116.57 119.46 3hbm h LYS 89 Ca 0.23 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3hbm h LYS 89 Cb 0.18 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3hbm h LYS 89 CO -0.19 0.29 0.07 1.25 -3.45 0.00 0.00 179.45 177.42 3hbm h LEU 90 N 0.25 0.13 -0.44 5.20 5.85 -0.85 0.07 115.31 125.51 3hbm h LEU 90 Ca 0.08 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3hbm h LEU 90 Cb 0.07 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hbm h LEU 90 CO -0.01 0.12 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.43 3hbm h GLU 91 N 0.13 0.00 0.00 1.25 4.39 -0.88 -3.38 114.58 116.09 3hbm h GLU 91 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3hbm h GLU 91 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3hbm h GLU 91 CO -0.01 0.45 -1.00 0.25 -1.16 0.00 0.00 179.01 177.54 3hbm n THR 92 N -3.35 0.00 -0.80 1.13 -2.24 -0.28 -5.02 114.28 103.72 3hbm n THR 92 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3hbm n THR 92 Cb 0.63 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3hbm n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbm n GLY 93 N 2.92 0.46 3.56 3.38 0.00 0.01 -5.00 105.19 110.52 3hbm n GLY 93 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3hbm n GLY 93 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hbm n VAL 94 N -2.09 3.02 -2.57 1.61 3.14 -1.26 -4.98 118.33 115.19 3hbm n VAL 94 Ca 0.00 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.50 3hbm n VAL 94 Cb 0.05 -0.98 -0.05 0.00 -1.06 0.00 0.00 33.84 31.80 3hbm n VAL 94 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3hbm s LYS 95 N -2.41 4.45 -0.14 1.45 2.20 -0.97 -4.81 119.74 119.51 3hbm s LYS 95 Ca 0.72 1.59 0.02 0.00 -0.36 0.00 0.00 55.97 57.93 3hbm s LYS 95 Cb -0.45 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3hbm s LYS 95 CO 0.51 0.10 -0.18 0.42 -0.36 0.00 0.00 175.35 175.83 3hbm s ILE 96 N -1.44 1.80 -0.24 5.43 1.01 -1.26 -0.64 121.20 125.86 3hbm s ILE 96 Ca 0.51 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 3hbm s ILE 96 Cb -0.25 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3hbm s ILE 96 CO 0.32 0.50 0.05 -0.22 0.00 0.00 0.00 174.94 175.59 3hbm s LEU 97 N 1.05 3.38 -0.21 2.97 0.20 -0.01 0.05 118.68 126.11 3hbm s LEU 97 Ca -0.03 -0.21 -0.04 0.00 0.69 0.00 0.00 54.13 54.53 3hbm s LEU 97 Cb -0.14 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 3hbm s LEU 97 CO -0.05 -0.01 -0.02 -0.44 -0.29 0.00 0.00 176.35 175.54 3hbm s SER 98 N 1.48 4.60 0.39 3.68 0.01 -0.14 -0.22 113.70 123.50 3hbm s SER 98 Ca 0.06 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 56.78 3hbm s SER 98 Cb -0.15 -1.79 -0.09 0.00 0.21 0.00 0.00 66.02 64.21 3hbm s SER 98 CO 0.03 0.04 1.20 -0.36 0.41 0.00 0.00 173.24 174.55 3hbm s PHE 99 N 1.16 3.04 -0.05 2.43 0.08 0.03 -0.88 117.98 123.79 3hbm s PHE 99 Ca 0.02 1.52 -0.06 0.00 0.12 0.00 0.00 56.93 58.54 3hbm s PHE 99 Cb -0.14 -3.46 0.01 0.00 -0.57 0.00 0.00 43.02 38.85 3hbm s PHE 99 CO 0.00 -1.47 0.15 0.34 -0.10 0.00 0.00 175.22 174.15 3hbm s ASP 100 N -0.99 -0.14 0.00 1.36 2.15 -0.30 -4.84 116.67 113.91 3hbm s ASP 100 Ca 0.56 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.78 3hbm s ASP 100 Cb -0.33 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.60 3hbm s ASP 100 CO 0.42 -0.10 0.00 0.47 -0.17 0.00 0.00 175.17 175.79 3hbm n ASP 101 N 2.77 4.60 -0.46 -0.34 8.00 -1.26 -4.15 116.55 125.71 3hbm n ASP 101 Ca -0.14 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.42 3hbm n ASP 101 Cb 0.58 0.88 0.05 0.00 -0.02 0.00 0.00 41.12 42.62 3hbm n ASP 101 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hbm n GLU 102 N -1.43 0.71 -2.46 -1.24 1.02 -1.26 -4.87 120.64 111.12 3hbm n GLU 102 Ca 0.00 -1.23 -0.04 0.00 -0.02 0.00 0.00 57.16 55.87 3hbm n GLU 102 Cb 0.04 -1.22 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 3hbm n GLU 102 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3hbm n ILE 103 N 0.62 -7.96 -4.26 -3.67 5.41 -1.26 -4.99 119.36 103.25 3hbm n ILE 103 Ca 0.07 0.41 -0.18 0.00 1.00 0.00 0.00 62.75 64.05 3hbm n ILE 103 Cb 0.29 -6.15 -0.11 0.00 -0.71 0.00 0.00 39.64 32.96 3hbm n ILE 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3hbm s LYS 104 N -2.33 1.08 0.51 0.38 -0.14 -1.26 -5.12 119.74 112.85 3hbm s LYS 104 Ca 0.13 -1.31 -0.21 0.00 -1.36 0.00 0.00 55.97 53.22 3hbm s LYS 104 Cb -0.04 -0.93 -0.07 0.00 -1.68 0.00 0.00 37.83 35.11 3hbm s LYS 104 CO 0.52 0.17 1.12 -1.25 -0.76 0.00 0.00 175.35 175.16 3hbm s PRO 105 N -2.88 3.54 -0.01 -1.68 0.04 -1.26 -4.97 135.00 127.78 3hbm s PRO 105 Ca 0.12 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 3hbm s PRO 105 Cb -0.04 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3hbm s PRO 105 CO 0.03 -0.69 0.10 -1.01 0.04 0.00 0.00 177.00 175.47 3hbm s HIS 106 N -1.74 0.03 -1.06 0.56 3.76 -0.79 -4.74 115.29 111.31 3hbm s HIS 106 Ca 0.69 -0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 55.43 3hbm s HIS 106 Cb -0.24 -0.04 0.25 0.00 1.11 0.00 0.00 32.58 33.65 3hbm s HIS 106 CO 0.28 -0.19 1.08 -1.58 -0.85 0.00 0.00 174.74 173.48 3hbm s HIS 107 N -0.89 4.03 0.17 1.40 2.46 -1.26 -4.25 115.29 116.94 3hbm s HIS 107 Ca -0.10 -2.43 0.00 0.00 0.47 0.00 0.00 55.06 53.01 3hbm s HIS 107 Cb -0.06 -3.91 -0.04 0.00 -0.13 0.00 0.00 32.58 28.44 3hbm s HIS 107 CO 0.01 -1.04 0.05 0.00 -2.47 0.00 0.00 174.74 171.29 3hbm n ASP 109 N -0.22 0.54 -3.83 0.00 8.00 0.11 -4.46 116.55 116.69 3hbm n ASP 109 Ca -0.04 0.25 -0.21 0.00 0.71 0.00 0.00 54.79 55.50 3hbm n ASP 109 Cb 0.64 0.51 -0.17 0.00 -0.02 0.00 0.00 41.12 42.08 3hbm n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hbm s ILE 110 N -2.76 0.42 -0.18 0.53 1.01 -0.74 -1.02 121.20 118.46 3hbm s ILE 110 Ca -0.06 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 3hbm s ILE 110 Cb 0.08 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 3hbm s ILE 110 CO 0.83 0.23 0.07 -0.22 0.00 0.00 0.00 174.94 175.85 3hbm s LEU 111 N 1.42 3.89 -0.23 2.97 1.98 0.28 -0.97 118.68 128.02 3hbm s LEU 111 Ca -0.03 0.12 0.01 0.00 -2.89 0.00 0.00 54.13 51.33 3hbm s LEU 111 Cb -0.13 -1.98 0.05 0.00 0.66 0.00 0.00 46.19 44.79 3hbm s LEU 111 CO -0.03 0.19 -0.08 -0.22 -1.89 0.00 0.00 176.35 174.32 3hbm s LEU 112 N 0.29 2.61 -0.31 -0.68 2.96 -0.06 0.03 118.68 123.52 3hbm s LEU 112 Ca 0.04 -1.12 0.03 0.00 -0.22 0.00 0.00 54.13 52.86 3hbm s LEU 112 Cb -0.12 -1.25 0.08 0.00 0.50 0.00 0.00 46.19 45.40 3hbm s LEU 112 CO -0.00 -0.20 0.00 0.21 -1.32 0.00 0.00 176.35 175.04 3hbm s ASN 113 N 1.35 4.71 0.00 3.68 3.84 0.65 -1.15 114.94 128.02 3hbm s ASN 113 Ca -0.05 -1.80 0.30 0.00 0.21 0.00 0.00 52.86 51.52 3hbm s ASN 113 Cb -0.18 -1.63 1.54 0.00 -0.55 0.00 0.00 41.25 40.43 3hbm s ASN 113 CO -0.07 -0.32 2.06 1.33 -2.79 0.00 0.00 177.10 177.32 3hbm n VAL 114 N 4.38 0.00 -2.75 -5.21 0.24 -1.26 -0.92 118.33 112.80 3hbm n VAL 114 Ca -0.04 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.85 3hbm n VAL 114 Cb 0.42 -0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 32.26 3hbm n VAL 114 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3hbm s ASN 115 N -2.51 7.63 0.54 -1.34 0.01 -1.26 -4.28 114.94 113.72 3hbm s ASN 115 Ca 0.30 1.93 0.29 0.00 -0.71 0.00 0.00 52.86 54.67 3hbm s ASN 115 Cb 0.20 -2.60 1.53 0.00 0.41 0.00 0.00 41.25 40.79 3hbm s ASN 115 CO 0.45 0.14 2.10 0.00 -1.51 0.00 0.00 177.10 178.28 3hbm h ALA 116 N 4.30 1.28 0.00 0.60 0.00 -1.89 -2.11 119.26 121.44 3hbm h ALA 116 Ca -0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3hbm h ALA 116 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hbm h ALA 116 CO 0.68 0.12 -0.15 0.10 0.00 0.00 0.00 179.25 180.00 3hbm h TYR 117 N 0.00 0.00 -3.72 0.00 -0.00 -1.92 -3.40 116.97 107.94 3hbm h TYR 117 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 58.73 58.23 3hbm h TYR 117 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.00 3hbm h TYR 117 CO 0.00 0.15 0.23 0.00 -0.00 0.00 0.00 178.16 178.54 3hbm s ALA 118 N -3.84 3.32 0.06 0.10 0.00 -0.80 -5.01 121.76 115.59 3hbm s ALA 118 Ca -0.01 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.37 3hbm s ALA 118 Cb 0.11 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 3hbm s ALA 118 CO 0.60 0.25 -0.16 0.15 0.00 0.00 0.00 175.76 176.60 3hbm s LYS 119 N -1.91 0.94 0.33 0.00 1.02 -1.26 -3.41 119.74 115.45 3hbm s LYS 119 Ca 0.46 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.57 3hbm s LYS 119 Cb -0.18 -0.99 0.64 0.00 -0.52 0.00 0.00 37.83 36.78 3hbm s LYS 119 CO 0.23 0.23 1.91 0.00 -0.92 0.00 0.00 175.35 176.80 3hbm h ALA 120 N 4.52 1.63 -0.10 5.17 0.00 -1.88 -1.26 119.26 127.33 3hbm h ALA 120 Ca -0.41 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.52 3hbm h ALA 120 Cb 1.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hbm h ALA 120 CO 0.42 0.21 0.17 0.66 0.00 0.00 0.00 179.25 180.71 3hbm h SER 121 N 0.89 0.00 0.18 0.00 4.64 -1.97 -0.90 113.55 116.38 3hbm h SER 121 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 3hbm h SER 121 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hbm h SER 121 CO -0.16 0.00 -0.03 0.44 -0.87 0.00 0.00 176.83 176.21 3hbm h ASP 122 N 0.00 0.00 -0.40 4.97 3.32 -1.65 -2.61 116.42 120.05 3hbm h ASP 122 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hbm h ASP 122 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hbm h ASP 122 CO -0.00 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33 3hbm n TYR 123 N -3.46 0.51 -1.67 4.55 4.01 -0.34 -4.88 117.16 115.87 3hbm n TYR 123 Ca -0.02 -0.27 -0.55 0.00 -0.16 0.00 0.00 57.90 56.90 3hbm n TYR 123 Cb 0.14 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 3hbm n TYR 123 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3hbm n GLU 124 N 1.45 1.25 -0.41 -0.72 1.02 -0.99 -0.41 120.64 121.83 3hbm n GLU 124 Ca 0.19 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 3hbm n GLU 124 Cb 0.60 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3hbm n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hbm n GLY 125 N 3.67 2.13 0.00 0.62 0.00 -1.26 -4.85 105.19 105.51 3hbm n GLY 125 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 3hbm n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbm n LEU 126 N 0.00 0.81 -4.18 0.99 4.77 0.45 -4.98 117.00 114.87 3hbm n LEU 126 Ca 0.00 -0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 3hbm n LEU 126 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3hbm n LEU 126 CO 0.00 0.20 -0.39 0.68 -1.33 0.00 0.00 177.39 176.55 3hbm s VAL 127 N -2.99 0.80 0.00 4.08 -7.23 -1.22 -1.89 120.40 111.95 3hbm s VAL 127 Ca 0.05 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 3hbm s VAL 127 Cb 0.15 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.49 3hbm s VAL 127 CO 0.84 -0.78 0.00 -2.65 -0.31 0.00 0.00 175.10 172.20 3hbm n PRO 128 N 0.10 0.25 0.00 4.82 -0.02 -1.26 -4.90 135.00 133.99 3hbm n PRO 128 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3hbm n PRO 128 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3hbm n PRO 128 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hbm n LYS 130 N 0.00 0.00 -2.06 -0.52 4.76 -1.26 -4.85 118.16 114.23 3hbm n LYS 130 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3hbm n LYS 130 Cb 0.00 -0.73 -0.03 0.00 -1.84 0.00 0.00 35.03 32.43 3hbm n LYS 130 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hbm s GLU 132 N 0.72 4.21 -0.34 0.00 2.12 -0.19 -4.93 118.70 120.29 3hbm s GLU 132 Ca 0.65 1.07 -0.11 0.00 0.36 0.00 0.00 54.97 56.94 3hbm s GLU 132 Cb -0.40 -3.64 -0.00 0.00 0.26 0.00 0.00 34.13 30.35 3hbm s GLU 132 CO 0.34 -0.54 0.21 0.08 -0.54 0.00 0.00 175.26 174.80 3hbm s VAL 133 N 2.90 4.88 -0.36 3.70 1.01 -1.26 -0.55 120.40 130.72 3hbm s VAL 133 Ca 0.38 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 3hbm s VAL 133 Cb -0.15 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3hbm s VAL 133 CO 0.07 -0.05 0.13 -0.13 0.00 0.00 0.00 175.10 175.12 3hbm s ARG 134 N 1.64 2.51 0.00 2.72 0.52 0.10 -4.85 118.95 121.60 3hbm s ARG 134 Ca 0.05 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 53.97 3hbm s ARG 134 Cb -0.18 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.78 3hbm s ARG 134 CO 0.08 -0.77 -0.14 0.00 0.02 0.00 0.00 175.30 174.50 3hbm n GLY 136 N 2.54 -1.86 0.27 0.00 0.00 -0.10 -4.64 105.19 101.41 3hbm n GLY 136 Ca -0.15 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 43.86 3hbm n GLY 136 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hbm h PHE 137 N 0.00 0.00 -0.90 1.61 3.04 -1.78 -0.49 116.94 118.42 3hbm h PHE 137 Ca 0.00 0.00 0.24 0.00 3.98 0.00 0.00 57.97 62.19 3hbm h PHE 137 Cb 0.00 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 3hbm h PHE 137 CO 0.00 0.10 0.63 0.77 -2.02 0.00 0.00 178.31 177.79 3hbm h SER 138 N 0.00 0.15 -0.27 0.41 0.02 -1.92 -2.53 113.55 109.40 3hbm h SER 138 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3hbm h SER 138 Cb 0.30 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3hbm h SER 138 CO 0.01 0.05 0.00 -1.22 -1.14 0.00 0.00 176.83 174.54 3hbm n TYR 139 N -4.36 0.73 -1.58 3.45 4.02 -0.19 -5.03 117.16 114.19 3hbm n TYR 139 Ca 0.19 -0.75 -0.40 0.00 -0.01 0.00 0.00 57.90 56.94 3hbm n TYR 139 Cb 0.88 -0.21 0.03 0.00 -0.02 0.00 0.00 39.34 40.02 3hbm n TYR 139 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hbm n ALA 140 N -0.20 -0.09 -3.62 -0.72 0.00 -0.96 -4.74 120.51 110.19 3hbm n ALA 140 Ca 0.17 0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 3hbm n ALA 140 Cb 0.71 -2.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.05 3hbm n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hbm s LEU 141 N -0.64 5.61 -0.15 0.00 1.43 -1.26 -5.05 118.68 118.61 3hbm s LEU 141 Ca 0.67 -2.97 -0.02 0.00 -1.03 0.00 0.00 54.13 50.78 3hbm s LEU 141 Cb -0.50 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3hbm s LEU 141 CO 0.54 -0.38 -0.08 -0.63 0.23 0.00 0.00 176.35 176.03 3hbm s ILE 142 N -0.24 3.46 0.75 -0.59 1.01 -1.26 -4.97 121.20 119.35 3hbm s ILE 142 Ca 0.19 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 3hbm s ILE 142 Cb -0.16 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.86 3hbm s ILE 142 CO -0.06 0.50 1.22 -0.13 0.00 0.00 0.00 174.94 176.47 3hbm s ARG 143 N 0.51 2.02 0.31 2.79 0.52 -1.26 -4.92 118.95 118.92 3hbm s ARG 143 Ca -0.06 1.80 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 3hbm s ARG 143 Cb -0.15 -1.81 0.52 0.00 0.52 0.00 0.00 34.95 34.02 3hbm s ARG 143 CO 0.03 -1.93 1.94 1.49 0.02 0.00 0.00 175.30 176.85 3hbm h GLU 144 N -0.39 1.01 -1.08 3.54 4.57 -2.02 -2.77 114.58 117.44 3hbm h GLU 144 Ca -0.48 -0.06 0.29 0.00 -1.18 0.00 0.00 59.36 57.94 3hbm h GLU 144 Cb 1.30 -0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 29.59 3hbm h GLU 144 CO 0.49 0.67 0.73 1.05 -1.18 0.00 0.00 179.01 180.77 3hbm h GLU 145 N 1.04 0.23 -0.16 1.92 4.11 -1.99 -1.19 114.58 118.54 3hbm h GLU 145 Ca 0.34 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.59 3hbm h GLU 145 Cb 0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hbm h GLU 145 CO -0.11 0.15 -0.61 0.74 0.07 0.00 0.00 179.01 179.26 3hbm h PHE 146 N 0.23 0.68 -0.57 2.06 -1.00 -1.86 -0.46 116.94 116.03 3hbm h PHE 146 Ca 0.58 -0.26 -0.06 0.00 2.81 0.00 0.00 57.97 61.04 3hbm h PHE 146 Cb 1.79 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 41.20 3hbm h PHE 146 CO -0.00 1.00 0.11 1.88 -1.61 0.00 0.00 178.31 179.70 3hbm h TYR 147 N 0.40 0.98 -0.03 -0.55 -1.99 -1.36 -0.33 116.97 114.08 3hbm h TYR 147 Ca -0.01 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 3hbm h TYR 147 Cb 1.16 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 39.62 3hbm h TYR 147 CO 0.05 0.85 0.02 1.96 -0.00 0.00 0.00 178.16 181.04 3hbm h GLN 148 N 0.82 0.04 -0.08 4.88 4.20 -1.36 -3.17 115.11 120.45 3hbm h GLN 148 Ca 0.17 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 3hbm h GLN 148 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3hbm h GLN 148 CO 0.01 0.06 -0.43 1.49 -0.67 0.00 0.00 178.83 179.29 3hbm h GLU 149 N 0.01 0.18 -0.01 1.46 4.57 -0.94 -2.73 114.58 117.12 3hbm h GLU 149 Ca 0.01 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3hbm h GLU 149 Cb 0.03 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3hbm h GLU 149 CO -0.00 0.58 0.28 0.00 -1.18 0.00 0.00 179.01 178.69 3hbm h ALA 150 N 1.42 1.31 0.00 2.92 0.00 -1.02 -0.03 119.26 123.85 3hbm h ALA 150 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hbm h ALA 150 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hbm h ALA 150 CO 0.06 -0.29 -0.59 0.87 0.00 0.00 0.00 179.25 179.30 3hbm h LYS 151 N 0.00 0.00 -6.72 0.00 1.57 -1.60 -3.47 116.57 106.35 3hbm h LYS 151 Ca 0.01 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3hbm h LYS 151 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 3hbm h LYS 151 CO -0.00 0.00 0.11 -1.21 -0.57 0.00 0.00 179.45 177.78 3hbm s GLU 152 N -3.17 4.04 -0.51 3.15 0.41 -0.03 -5.06 118.70 117.54 3hbm s GLU 152 Ca 0.06 0.71 0.01 0.00 -0.41 0.00 0.00 54.97 55.34 3hbm s GLU 152 Cb 0.13 -2.48 0.13 0.00 -1.78 0.00 0.00 34.13 30.13 3hbm s GLU 152 CO 0.71 0.18 0.28 -0.80 -0.49 0.00 0.00 175.26 175.14 3hbm s ASN 153 N -2.19 4.83 0.11 -0.19 0.01 -1.26 -5.06 114.94 111.18 3hbm s ASN 153 Ca 0.53 -2.69 -0.22 0.00 -0.71 0.00 0.00 52.86 49.77 3hbm s ASN 153 Cb -0.11 -1.74 -0.07 0.00 0.41 0.00 0.00 41.25 39.74 3hbm s ASN 153 CO 0.18 -0.34 0.66 -0.13 -1.51 0.00 0.00 177.10 175.95 3hbm s ARG 154 N 0.18 4.36 0.29 -0.60 1.81 -1.26 -5.04 118.95 118.68 3hbm s ARG 154 Ca 0.15 0.91 -0.29 0.00 -1.72 0.00 0.00 55.73 54.78 3hbm s ARG 154 Cb -0.22 -3.25 -0.10 0.00 -0.45 0.00 0.00 34.95 30.92 3hbm s ARG 154 CO -0.03 0.60 1.39 0.15 -0.68 0.00 0.00 175.30 176.73 3hbm s LYS 155 N -1.09 4.29 -0.02 3.54 1.02 -1.26 -4.86 119.74 121.36 3hbm s LYS 155 Ca 0.32 2.29 -0.28 0.00 0.02 0.00 0.00 55.97 58.32 3hbm s LYS 155 Cb -0.21 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 3hbm s LYS 155 CO 0.22 -0.34 0.92 0.15 -0.92 0.00 0.00 175.35 175.37 3hbm s LYS 156 N -1.08 4.53 -0.01 1.68 -0.14 -1.26 -4.71 119.74 118.75 3hbm s LYS 156 Ca 0.55 1.30 0.06 0.00 -1.36 0.00 0.00 55.97 56.52 3hbm s LYS 156 Cb -0.41 -3.46 -0.09 0.00 -1.68 0.00 0.00 37.83 32.19 3hbm s LYS 156 CO 0.49 -0.03 0.20 1.63 -0.76 0.00 0.00 175.35 176.88 3hbm n LYS 157 N 3.89 2.17 -4.64 1.68 4.76 0.13 -5.01 118.16 121.15 3hbm n LYS 157 Ca 0.04 -0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 3hbm n LYS 157 Cb 0.51 -1.01 -0.15 0.00 -1.84 0.00 0.00 35.03 32.54 3hbm n LYS 157 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3hbm s TYR 158 N -2.10 1.25 0.14 2.13 1.51 -0.94 -4.95 117.35 114.40 3hbm s TYR 158 Ca -0.00 -0.24 -0.08 0.00 -1.01 0.00 0.00 57.07 55.74 3hbm s TYR 158 Cb 0.04 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 3hbm s TYR 158 CO 0.27 -0.02 1.40 -0.44 -1.11 0.00 0.00 175.55 175.64 3hbm h ASP 159 N 5.79 0.80 -3.78 2.29 3.32 -1.27 0.11 116.42 123.68 3hbm h ASP 159 Ca -0.34 -0.48 -0.30 0.00 0.02 0.00 0.00 57.03 55.93 3hbm h ASP 159 Cb 1.16 -0.23 -0.29 0.00 0.22 0.00 0.00 39.33 40.18 3hbm h ASP 159 CO 0.49 1.25 -0.74 -0.36 -1.72 0.00 0.00 179.24 178.16 3hbm s PHE 160 N -3.87 0.31 -0.18 4.55 0.40 -0.84 -2.12 117.98 116.23 3hbm s PHE 160 Ca -0.09 -0.05 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 3hbm s PHE 160 Cb 0.10 -0.24 -0.01 0.00 0.51 0.00 0.00 43.02 43.38 3hbm s PHE 160 CO 0.88 -0.03 -0.09 0.12 0.70 0.00 0.00 175.22 176.80 3hbm s PHE 161 N 0.12 2.89 -0.21 0.36 2.19 -0.47 -0.81 117.98 122.05 3hbm s PHE 161 Ca -0.01 -0.87 -0.05 0.00 0.33 0.00 0.00 56.93 56.33 3hbm s PHE 161 Cb -0.04 -1.99 -0.02 0.00 -1.31 0.00 0.00 43.02 39.66 3hbm s PHE 161 CO -0.00 -0.43 0.00 0.42 1.83 0.00 0.00 175.22 177.04 3hbm s ILE 162 N 1.01 3.92 0.30 3.12 1.01 0.74 -0.16 121.20 131.13 3hbm s ILE 162 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3hbm s ILE 162 Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3hbm s ILE 162 CO -0.01 0.42 0.30 0.00 0.00 0.00 0.00 174.94 175.65 3hbm n GLY 165 N -0.51 4.86 0.29 0.00 0.00 -1.26 -2.56 105.19 106.01 3hbm n GLY 165 Ca 0.04 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 3hbm n GLY 165 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbm h GLY 166 N 0.00 0.93 0.00 -0.02 0.00 -1.97 -3.42 103.07 98.59 3hbm h GLY 166 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3hbm h GLY 166 CO 0.00 0.61 -0.89 -1.30 0.00 0.00 0.00 176.54 174.96 3hbm n THR 167 N -4.19 0.00 -3.63 4.70 -2.24 -1.26 -3.75 114.28 103.91 3hbm n THR 167 Ca 0.02 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 3hbm n THR 167 Cb 0.34 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 68.08 3hbm n THR 167 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hbm n ASP 168 N -2.44 -4.96 0.05 3.42 2.03 -1.26 -4.37 116.55 109.01 3hbm n ASP 168 Ca 0.00 -0.96 0.13 0.00 0.52 0.00 0.00 54.79 54.48 3hbm n ASP 168 Cb 0.44 -3.68 0.60 0.00 -0.72 0.00 0.00 41.12 37.77 3hbm n ASP 168 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3hbm h ILE 169 N -1.78 0.88 -0.00 5.18 2.10 -1.97 0.20 117.51 122.13 3hbm h ILE 169 Ca -0.65 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.23 3hbm h ILE 169 Cb 1.35 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 3hbm h ILE 169 CO 0.49 0.03 -0.03 0.29 -1.08 0.00 0.00 178.15 177.85 3hbm n LYS 170 N -4.46 0.51 -3.89 2.19 5.02 -1.26 -4.85 118.16 111.42 3hbm n LYS 170 Ca 0.06 -0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3hbm n LYS 170 Cb 0.36 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3hbm n LYS 170 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hbm n ASN 171 N -1.20 -3.78 0.19 4.39 5.15 0.71 -2.66 115.26 118.06 3hbm n ASN 171 Ca 0.15 -0.81 0.03 0.00 -0.60 0.00 0.00 54.58 53.35 3hbm n ASN 171 Cb 0.25 -3.84 0.41 0.00 -0.53 0.00 0.00 39.78 36.07 3hbm n ASN 171 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3hbm h LEU 172 N -2.01 0.04 -1.03 1.20 3.38 -1.92 -3.13 115.31 111.84 3hbm h LEU 172 Ca -0.59 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.47 3hbm h LEU 172 Cb 1.37 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 3hbm h LEU 172 CO 0.65 0.31 0.63 0.28 0.09 0.00 0.00 178.44 180.41 3hbm h SER 173 N 0.03 0.96 -0.09 -0.43 0.02 -1.91 0.17 113.55 112.31 3hbm h SER 173 Ca 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3hbm h SER 173 Cb 0.50 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3hbm h SER 173 CO 0.04 0.56 -0.05 0.25 -1.14 0.00 0.00 176.83 176.48 3hbm h LEU 174 N 1.06 0.20 -0.76 5.07 5.85 -1.94 -1.72 115.31 123.07 3hbm h LEU 174 Ca 0.46 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3hbm h LEU 174 Cb 0.35 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3hbm h LEU 174 CO -0.22 0.58 0.50 -0.61 -0.34 0.00 0.00 178.44 178.36 3hbm h GLN 175 N -0.18 1.00 -0.13 1.25 -0.00 -1.39 0.13 115.11 115.79 3hbm h GLN 175 Ca 0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 3hbm h GLN 175 Cb 0.51 -0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 3hbm h GLN 175 CO 0.01 0.66 -0.00 0.82 0.00 0.00 0.00 178.83 180.32 3hbm h ILE 176 N 1.03 1.25 -0.65 2.39 2.04 -0.66 -3.13 117.51 119.78 3hbm h ILE 176 Ca 0.28 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 3hbm h ILE 176 Cb -0.12 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3hbm h ILE 176 CO -0.06 0.24 0.14 0.00 0.00 0.00 0.00 178.15 178.47 3hbm h ALA 177 N 0.75 1.02 0.00 1.87 0.00 -1.12 -2.96 119.26 118.81 3hbm h ALA 177 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3hbm h ALA 177 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hbm h ALA 177 CO 0.01 0.64 -0.18 1.03 0.00 0.00 0.00 179.25 180.74 3hbm h SER 178 N 0.99 0.00 0.00 0.00 0.87 -0.68 -2.57 113.55 112.16 3hbm h SER 178 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3hbm h SER 178 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3hbm h SER 178 CO 0.00 0.18 -1.03 -1.84 -0.53 0.00 0.00 176.83 173.62 3hbm n GLU 179 N -3.65 0.54 -2.26 2.24 0.28 -1.19 -4.95 120.64 111.65 3hbm n GLU 179 Ca -0.01 -0.02 -0.36 0.00 -0.16 0.00 0.00 57.16 56.60 3hbm n GLU 179 Cb 0.31 -1.43 -0.00 0.00 1.43 0.00 0.00 31.44 31.75 3hbm n GLU 179 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3hbm s LEU 180 N -3.07 3.91 0.35 -1.84 1.43 -0.97 -4.95 118.68 113.54 3hbm s LEU 180 Ca 0.06 2.26 -0.27 0.00 -1.03 0.00 0.00 54.13 55.15 3hbm s LEU 180 Cb 0.15 -4.37 -0.12 0.00 0.03 0.00 0.00 46.19 41.88 3hbm s LEU 180 CO 0.81 -1.03 1.23 -2.65 0.23 0.00 0.00 176.35 174.93 3hbm n PRO 181 N -0.79 1.94 0.00 1.29 -0.02 -1.26 -4.86 135.00 131.30 3hbm n PRO 181 Ca 0.09 0.68 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 3hbm n PRO 181 Cb 0.49 -2.25 0.63 0.00 -0.02 0.00 0.00 33.50 32.35 3hbm n PRO 181 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hbm n LYS 182 N 0.48 0.38 0.00 -0.52 4.76 -1.26 -1.66 118.16 120.33 3hbm n LYS 182 Ca 0.06 0.05 0.14 0.00 -2.87 0.00 0.00 58.31 55.69 3hbm n LYS 182 Cb 0.36 -1.50 0.63 0.00 -1.84 0.00 0.00 35.03 32.68 3hbm n LYS 182 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3hbm n THR 183 N -1.27 0.00 -3.63 -0.18 -2.24 -1.26 -4.61 114.28 101.09 3hbm n THR 183 Ca 0.12 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 3hbm n THR 183 Cb 0.19 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 3hbm n THR 183 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hbm s LYS 184 N -2.17 3.89 -0.26 -0.78 -0.14 -0.66 -5.06 119.74 114.56 3hbm s LYS 184 Ca 0.37 0.14 -0.23 0.00 -1.36 0.00 0.00 55.97 54.88 3hbm s LYS 184 Cb 0.21 -3.28 -0.01 0.00 -1.68 0.00 0.00 37.83 33.07 3hbm s LYS 184 CO 0.40 0.57 0.78 0.42 -0.76 0.00 0.00 175.35 176.75 3hbm s ILE 185 N -0.55 4.85 -0.07 2.17 1.01 -1.26 -4.77 121.20 122.58 3hbm s ILE 185 Ca 0.19 1.38 0.05 0.00 0.00 0.00 0.00 60.65 62.27 3hbm s ILE 185 Cb -0.14 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 3hbm s ILE 185 CO 0.07 -0.10 -0.23 -0.63 0.00 0.00 0.00 174.94 174.05 3hbm s ILE 186 N 2.81 1.94 -0.10 2.92 1.01 0.10 -0.74 121.20 129.13 3hbm s ILE 186 Ca 0.32 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3hbm s ILE 186 Cb -0.15 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3hbm s ILE 186 CO 0.09 0.54 -0.03 -0.94 0.00 0.00 0.00 174.94 174.60 3hbm s SER 187 N 0.08 4.98 -0.10 3.58 1.04 0.01 -0.71 113.70 122.57 3hbm s SER 187 Ca -0.10 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.39 3hbm s SER 187 Cb -0.15 -1.47 0.01 0.00 0.10 0.00 0.00 66.02 64.51 3hbm s SER 187 CO 0.05 0.32 -0.19 -0.63 0.98 0.00 0.00 173.24 173.77 3hbm s ILE 188 N -0.54 1.74 -0.19 -1.02 1.01 -0.37 -0.19 121.20 121.65 3hbm s ILE 188 Ca 0.09 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3hbm s ILE 188 Cb -0.12 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3hbm s ILE 188 CO 0.02 0.49 0.02 0.00 0.00 0.00 0.00 174.94 175.47 3hbm s ALA 189 N 0.67 3.18 0.23 9.38 0.00 -0.37 -0.40 121.76 134.45 3hbm s ALA 189 Ca -0.13 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 3hbm s ALA 189 Cb -0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 3hbm s ALA 189 CO 0.03 0.03 0.41 -0.08 0.00 0.00 0.00 175.76 176.15 3hbm s THR 190 N 0.67 0.01 0.45 0.00 -1.32 -0.89 -4.57 115.64 109.98 3hbm s THR 190 Ca 0.01 -1.44 -0.02 0.00 -1.21 0.00 0.00 61.69 59.02 3hbm s THR 190 Cb -0.14 -2.15 -0.02 0.00 -1.51 0.00 0.00 72.50 68.68 3hbm s THR 190 CO 0.02 -0.05 0.71 -0.94 -2.21 0.00 0.00 174.62 172.14 3hbm s SER 191 N -3.02 6.08 0.00 8.08 1.04 -1.25 -1.43 113.70 123.20 3hbm s SER 191 Ca 0.23 0.61 0.15 0.00 0.48 0.00 0.00 55.95 57.41 3hbm s SER 191 Cb 0.01 -1.94 0.65 0.00 0.10 0.00 0.00 66.02 64.84 3hbm s SER 191 CO 0.07 -0.60 1.45 -1.54 0.98 0.00 0.00 173.24 173.61 3hbm n SER 192 N -2.13 0.00 -0.30 7.02 3.41 -1.26 -2.01 113.62 118.35 3hbm n SER 192 Ca -0.00 0.41 0.14 0.00 -0.26 0.00 0.00 58.87 59.16 3hbm n SER 192 Cb 0.56 -0.45 0.59 0.00 -0.26 0.00 0.00 64.21 64.65 3hbm n SER 192 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hbm n SER 193 N -1.45 1.00 -4.66 4.04 2.88 -1.26 -4.91 113.62 109.26 3hbm n SER 193 Ca 0.04 -1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 55.99 3hbm n SER 193 Cb 0.16 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 3hbm n SER 193 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3hbm s ASN 194 N -2.15 6.48 0.12 -3.46 3.84 -0.85 -4.86 114.94 114.06 3hbm s ASN 194 Ca 0.36 2.61 0.16 0.00 0.21 0.00 0.00 52.86 56.20 3hbm s ASN 194 Cb 0.21 -2.53 0.70 0.00 -0.55 0.00 0.00 41.25 39.07 3hbm s ASN 194 CO 0.39 -1.03 1.49 -0.81 -2.79 0.00 0.00 177.10 174.35 3hbm n PRO 195 N 7.32 0.08 -0.44 0.43 -0.04 -1.26 -2.17 135.00 138.92 3hbm n PRO 195 Ca 0.19 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 64.11 3hbm n PRO 195 Cb 0.41 -1.67 0.19 0.00 -0.04 0.00 0.00 33.50 32.39 3hbm n PRO 195 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hbm n ASN 196 N -1.82 2.22 -0.10 3.54 3.02 -1.26 -4.84 115.26 116.02 3hbm n ASN 196 Ca 0.02 -3.53 -0.06 0.00 -0.03 0.00 0.00 54.58 50.98 3hbm n ASN 196 Cb 0.14 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 3hbm n ASN 196 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hbm h LEU 197 N 0.72 0.01 -0.89 3.41 5.85 -1.81 -1.57 115.31 121.04 3hbm h LEU 197 Ca 0.03 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3hbm h LEU 197 Cb 1.13 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3hbm h LEU 197 CO 0.08 0.04 0.57 0.11 -0.34 0.00 0.00 178.44 178.90 3hbm h LYS 198 N 0.19 1.05 -0.53 1.25 1.57 -1.88 -0.14 116.57 118.08 3hbm h LYS 198 Ca 0.16 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3hbm h LYS 198 Cb 0.18 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3hbm h LYS 198 CO -0.21 0.70 0.19 -0.22 -0.57 0.00 0.00 179.45 179.33 3hbm h LYS 199 N 1.09 0.81 -0.89 3.15 3.64 -1.86 -0.39 116.57 122.12 3hbm h LYS 199 Ca 0.36 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3hbm h LYS 199 Cb 0.05 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3hbm h LYS 199 CO -0.13 0.73 0.54 1.25 -2.27 0.00 0.00 179.45 179.57 3hbm h LEU 200 N 0.72 1.06 -0.52 5.20 5.85 -0.37 -1.07 115.31 126.17 3hbm h LEU 200 Ca 0.17 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hbm h LEU 200 Cb 0.24 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hbm h LEU 200 CO -0.01 0.81 0.16 1.56 -0.34 0.00 0.00 178.44 180.62 3hbm h GLN 201 N 1.22 0.81 -0.54 1.25 4.20 -0.75 -1.28 115.11 120.01 3hbm h GLN 201 Ca 0.32 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.86 3hbm h GLN 201 Cb -0.06 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3hbm h GLN 201 CO -0.06 0.75 0.36 0.87 -0.67 0.00 0.00 178.83 180.07 3hbm h LYS 202 N 0.71 0.71 -0.61 1.46 1.57 -0.80 -2.20 116.57 117.41 3hbm h LYS 202 Ca 0.17 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3hbm h LYS 202 Cb 0.27 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3hbm h LYS 202 CO -0.01 0.47 0.31 0.35 -0.57 0.00 0.00 179.45 180.00 3hbm h PHE 203 N 0.73 0.86 -1.00 -1.35 3.04 -1.03 -2.61 116.94 115.59 3hbm h PHE 203 Ca 0.20 -0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.16 3hbm h PHE 203 Cb -0.08 -0.27 -0.06 0.00 2.56 0.00 0.00 35.95 38.10 3hbm h PHE 203 CO -0.04 0.65 0.65 0.00 -2.02 0.00 0.00 178.31 177.55 3hbm h ALA 204 N 1.13 1.37 0.00 2.41 0.00 -1.02 -2.10 119.26 121.06 3hbm h ALA 204 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hbm h ALA 204 Cb 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hbm h ALA 204 CO -0.03 0.51 -0.16 -0.22 0.00 0.00 0.00 179.25 179.35 3hbm h LYS 205 N 1.23 0.00 0.00 0.00 3.64 -1.03 -1.82 116.57 118.59 3hbm h LYS 205 Ca 0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3hbm h LYS 205 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3hbm h LYS 205 CO -0.14 0.16 0.00 -0.07 -2.27 0.00 0.00 179.45 177.13 3hbm h LEU 206 N 0.00 0.00 -9.68 5.20 3.38 -1.13 -3.45 115.31 109.63 3hbm h LEU 206 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3hbm h LEU 206 Cb 0.28 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.90 3hbm h LEU 206 CO 0.02 0.00 -0.54 -1.00 0.09 0.00 0.00 178.44 177.01 3hbm s HIS 207 N -3.37 1.97 -0.55 1.13 3.76 -0.68 -5.06 115.29 112.48 3hbm s HIS 207 Ca 0.04 -1.00 0.05 0.00 -0.15 0.00 0.00 55.06 54.00 3hbm s HIS 207 Cb 0.09 -1.47 0.03 0.00 1.11 0.00 0.00 32.58 32.35 3hbm s HIS 207 CO 0.42 0.09 0.61 0.27 -0.85 0.00 0.00 174.74 175.28 3hbm n ASN 208 N -1.14 1.29 -0.28 1.40 0.23 -1.26 -4.78 115.26 110.72 3hbm n ASN 208 Ca -0.10 -1.14 0.03 0.00 -0.53 0.00 0.00 54.58 52.83 3hbm n ASN 208 Cb 0.66 0.08 0.04 0.00 -2.08 0.00 0.00 39.78 38.49 3hbm n ASN 208 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3hbm n ASN 209 N 0.15 1.74 -4.28 0.53 6.94 -1.26 -4.96 115.26 114.11 3hbm n ASN 209 Ca 0.03 -1.42 -0.33 0.00 -0.02 0.00 0.00 54.58 52.83 3hbm n ASN 209 Cb 0.11 -0.03 -0.15 0.00 -2.36 0.00 0.00 39.78 37.36 3hbm n ASN 209 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hbm s ILE 210 N -0.63 2.84 -0.16 1.53 1.01 -1.26 -0.73 121.20 123.81 3hbm s ILE 210 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3hbm s ILE 210 Cb 0.06 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 3hbm s ILE 210 CO 0.08 0.50 -0.15 -0.60 0.00 0.00 0.00 174.94 174.77 3hbm s ARG 211 N 0.91 3.22 -0.06 2.79 3.52 0.11 -4.93 118.95 124.50 3hbm s ARG 211 Ca -0.03 -0.74 -0.11 0.00 -0.13 0.00 0.00 55.73 54.72 3hbm s ARG 211 Cb -0.15 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.55 3hbm s ARG 211 CO -0.01 -0.00 0.28 -0.51 -0.81 0.00 0.00 175.30 174.25 3hbm s LEU 212 N 0.86 4.42 -0.22 -0.88 1.43 -1.26 -1.23 118.68 121.80 3hbm s LEU 212 Ca -0.04 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 3hbm s LEU 212 Cb -0.15 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.78 3hbm s LEU 212 CO -0.01 0.35 -0.11 -0.36 0.23 0.00 0.00 176.35 176.46 3hbm s PHE 213 N -0.97 2.69 -0.18 0.29 0.40 0.47 -4.94 117.98 115.74 3hbm s PHE 213 Ca 0.19 -1.83 -0.06 0.00 -0.60 0.00 0.00 56.93 54.63 3hbm s PHE 213 Cb -0.14 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 3hbm s PHE 213 CO 0.08 -0.79 0.03 0.42 0.70 0.00 0.00 175.22 175.66 3hbm s ILE 214 N 1.30 4.46 -1.45 0.64 1.01 -1.26 -2.10 121.20 123.79 3hbm s ILE 214 Ca -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3hbm s ILE 214 Cb -0.17 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.30 3hbm s ILE 214 CO -0.07 0.46 0.26 0.47 0.00 0.00 0.00 174.94 176.06 3hbm n ASP 215 N 3.61 0.03 -4.74 3.58 8.00 -0.52 -4.87 116.55 121.65 3hbm n ASP 215 Ca -0.17 -1.12 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 3hbm n ASP 215 Cb 0.52 -2.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.15 3hbm n ASP 215 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3hbm s HIS 216 N -4.12 3.39 -0.61 1.24 2.46 -1.26 -4.95 115.29 111.45 3hbm s HIS 216 Ca 0.02 1.41 0.25 0.00 0.47 0.00 0.00 55.06 57.21 3hbm s HIS 216 Cb -0.01 -3.46 0.48 0.00 -0.13 0.00 0.00 32.58 29.46 3hbm s HIS 216 CO 0.93 -1.30 1.50 0.93 -2.47 0.00 0.00 174.74 174.34 3hbm h GLU 217 N 5.09 0.00 -2.13 2.88 4.39 -1.99 -3.37 114.58 119.45 3hbm h GLU 217 Ca -0.45 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.69 3hbm h GLU 217 Cb 1.21 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.46 3hbm h GLU 217 CO 0.74 0.00 -0.86 -1.71 -1.16 0.00 0.00 179.01 176.02 3hbm n ASN 218 N -2.35 2.45 0.12 1.42 5.15 -1.26 -4.91 115.26 115.90 3hbm n ASN 218 Ca 0.04 -3.23 0.03 0.00 -0.60 0.00 0.00 54.58 50.81 3hbm n ASN 218 Cb 0.46 -0.62 0.40 0.00 -0.53 0.00 0.00 39.78 39.48 3hbm n ASN 218 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3hbm h ILE 219 N 2.37 1.17 -0.63 -1.44 2.04 -2.01 -2.77 117.51 116.24 3hbm h ILE 219 Ca 0.13 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.30 3hbm h ILE 219 Cb 0.74 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 3hbm h ILE 219 CO 0.67 0.24 0.30 0.00 0.00 0.00 0.00 178.15 179.36 3hbm h ALA 220 N 1.66 0.84 -0.43 1.87 0.00 -1.92 -2.73 119.26 118.55 3hbm h ALA 220 Ca 0.04 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3hbm h ALA 220 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hbm h ALA 220 CO 0.02 -0.09 -0.28 -0.22 0.00 0.00 0.00 179.25 178.69 3hbm h LYS 221 N 0.54 0.94 -0.05 0.00 3.64 -1.86 0.16 116.57 119.93 3hbm h LYS 221 Ca 0.30 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3hbm h LYS 221 Cb 0.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3hbm h LYS 221 CO -0.25 1.09 0.00 1.28 -2.27 0.00 0.00 179.45 179.30 3hbm n LEU 222 N -4.09 0.00 0.00 5.20 4.77 -1.03 -0.38 117.00 121.47 3hbm n LEU 222 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3hbm n LEU 222 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3hbm n LEU 222 CO 0.47 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.33 3hbm n ASN 224 N 0.44 0.00 -1.42 -1.43 5.15 0.04 -2.57 115.26 115.48 3hbm n ASN 224 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 3hbm n ASN 224 Cb 0.00 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 39.56 3hbm n ASN 224 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3hbm n GLU 225 N 0.00 3.41 -4.70 1.20 0.28 0.49 -4.61 120.64 116.70 3hbm n GLU 225 Ca 0.00 -2.43 -0.33 0.00 -0.16 0.00 0.00 57.16 54.23 3hbm n GLU 225 Cb 0.00 -1.83 -0.12 0.00 1.43 0.00 0.00 31.44 30.92 3hbm n GLU 225 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3hbm s SER 226 N -0.81 4.39 0.07 -1.84 0.01 -1.06 0.21 113.70 114.67 3hbm s SER 226 Ca 0.43 -0.11 -0.21 0.00 1.31 0.00 0.00 55.95 57.38 3hbm s SER 226 Cb 0.29 -1.02 -0.11 0.00 0.21 0.00 0.00 66.02 65.38 3hbm s SER 226 CO 0.20 0.34 1.52 0.78 0.41 0.00 0.00 173.24 176.50 3hbm h ASN 227 N 5.16 0.28 -3.72 2.44 2.35 -0.86 -3.45 115.58 117.78 3hbm h ASN 227 Ca -0.48 -0.28 -0.39 0.00 -0.55 0.00 0.00 56.30 54.60 3hbm h ASN 227 Cb 1.16 -0.07 -0.31 0.00 0.05 0.00 0.00 38.32 39.15 3hbm h ASN 227 CO 0.52 0.48 -0.77 -0.75 -1.65 0.00 0.00 177.43 175.26 3hbm s LYS 228 N -5.11 0.77 0.05 0.81 2.47 -0.90 -4.40 119.74 113.44 3hbm s LYS 228 Ca -0.14 -0.21 0.01 0.00 -1.56 0.00 0.00 55.97 54.08 3hbm s LYS 228 Cb 0.06 -0.75 -0.04 0.00 -1.46 0.00 0.00 37.83 35.64 3hbm s LYS 228 CO 0.72 0.05 0.12 -0.51 0.16 0.00 0.00 175.35 175.88 3hbm s LEU 229 N 0.36 3.99 -0.25 5.43 1.43 0.23 -1.37 118.68 128.50 3hbm s LEU 229 Ca -0.05 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3hbm s LEU 229 Cb -0.09 -2.56 0.07 0.00 0.03 0.00 0.00 46.19 43.63 3hbm s LEU 229 CO 0.00 0.20 -0.02 -0.63 0.23 0.00 0.00 176.35 176.13 3hbm s ILE 230 N -1.37 1.44 0.10 -0.59 1.01 0.77 -0.40 121.20 122.16 3hbm s ILE 230 Ca 0.29 -1.29 0.04 0.00 0.00 0.00 0.00 60.65 59.69 3hbm s ILE 230 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3hbm s ILE 230 CO 0.22 -0.22 -0.11 0.27 0.00 0.00 0.00 174.94 175.09 3hbm s ILE 231 N 1.41 1.04 0.73 2.92 -4.36 -0.53 -1.57 121.20 120.84 3hbm s ILE 231 Ca -0.02 -1.65 -0.12 0.00 -0.26 0.00 0.00 60.65 58.60 3hbm s ILE 231 Cb -0.19 -1.39 0.04 0.00 1.25 0.00 0.00 42.46 42.17 3hbm s ILE 231 CO -0.09 -0.52 1.11 -0.94 0.24 0.00 0.00 174.94 174.74 3hbm s SER 232 N -2.43 4.66 -0.64 4.36 1.04 -1.06 -0.04 113.70 119.59 3hbm s SER 232 Ca 0.06 1.93 -0.04 0.00 0.48 0.00 0.00 55.95 58.39 3hbm s SER 232 Cb -0.04 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.67 3hbm s SER 232 CO 0.01 -1.93 2.59 0.00 0.98 0.00 0.00 173.24 174.88 3hbm n ALA 233 N -3.08 6.50 -2.68 5.32 0.00 -0.18 -4.32 120.51 122.07 3hbm n ALA 233 Ca 0.10 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.15 3hbm n ALA 233 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3hbm n ALA 233 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hbm n SER 234 N 0.75 0.00 0.00 0.00 3.41 -1.26 -4.79 113.62 111.73 3hbm n SER 234 Ca 0.51 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 3hbm n SER 234 Cb 0.46 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.99 3hbm n SER 234 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hbm h SER 235 N 0.00 0.18 0.28 4.04 4.64 -1.97 -1.11 113.55 119.61 3hbm h SER 235 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3hbm h SER 235 Cb 0.00 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3hbm h SER 235 CO 0.00 0.11 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.87 3hbm h LEU 236 N 0.21 0.00 -0.23 5.97 3.38 -1.94 -2.80 115.31 119.89 3hbm h LEU 236 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hbm h LEU 236 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hbm h LEU 236 CO -0.04 0.13 0.13 0.58 0.09 0.00 0.00 178.44 179.33 3hbm h VAL 237 N 0.00 1.10 -0.79 1.22 2.07 -1.39 0.14 116.25 118.61 3hbm h VAL 237 Ca -0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3hbm h VAL 237 Cb 0.30 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3hbm h VAL 237 CO 0.02 0.10 0.37 0.78 0.02 0.00 0.00 177.57 178.85 3hbm h ASN 238 N 0.28 1.03 -0.26 0.57 2.35 -1.63 0.24 115.58 118.16 3hbm h ASN 238 Ca 0.08 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3hbm h ASN 238 Cb 0.04 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3hbm h ASN 238 CO -0.01 0.88 0.11 -0.33 -1.65 0.00 0.00 177.43 176.43 3hbm h GLU 239 N 1.13 0.38 -1.00 0.81 5.08 -1.44 -1.67 114.58 117.86 3hbm h GLU 239 Ca 0.27 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3hbm h GLU 239 Cb 0.13 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3hbm h GLU 239 CO -0.03 0.40 0.66 0.00 -1.00 0.00 0.00 179.01 179.03 3hbm h ALA 240 N 0.96 1.29 -0.54 3.43 0.00 -0.43 -2.24 119.26 121.73 3hbm h ALA 240 Ca 0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hbm h ALA 240 Cb 0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hbm h ALA 240 CO -0.01 0.62 -0.04 -0.07 0.00 0.00 0.00 179.25 179.75 3hbm h LEU 241 N 1.32 0.95 -1.00 0.00 3.38 -0.75 -1.64 115.31 117.57 3hbm h LEU 241 Ca 0.38 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3hbm h LEU 241 Cb -0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3hbm h LEU 241 CO -0.10 1.03 -0.20 0.25 0.09 0.00 0.00 178.44 179.51 3hbm h LEU 242 N 0.88 0.48 -0.15 1.67 5.85 -1.00 -1.73 115.31 121.30 3hbm h LEU 242 Ca 0.15 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hbm h LEU 242 Cb 0.57 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3hbm h LEU 242 CO 0.03 0.69 -0.01 0.18 -0.34 0.00 0.00 178.44 178.99 3hbm n LEU 243 N -4.15 0.25 -3.81 2.25 4.77 -0.87 -4.88 117.00 110.56 3hbm n LEU 243 Ca -0.00 -0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.67 3hbm n LEU 243 Cb 0.37 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3hbm n LEU 243 CO 0.41 0.04 0.15 0.29 -1.33 0.00 0.00 177.39 176.95 3hbm n LYS 244 N -0.88 -6.27 -2.51 3.23 5.02 -0.65 -4.95 118.16 111.15 3hbm n LYS 244 Ca 0.21 0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 56.85 3hbm n LYS 244 Cb 0.18 -5.61 -0.04 0.00 -0.02 0.00 0.00 35.03 29.54 3hbm n LYS 244 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hbm s ALA 245 N -3.32 3.09 -0.23 7.82 0.00 -0.68 -5.04 121.76 123.40 3hbm s ALA 245 Ca 0.61 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.51 3hbm s ALA 245 Cb -0.30 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3hbm s ALA 245 CO 0.80 -0.15 0.84 1.21 0.00 0.00 0.00 175.76 178.46 3hbm s ASN 246 N -2.93 6.87 0.03 0.00 2.47 -1.26 -4.87 114.94 115.25 3hbm s ASN 246 Ca 0.59 1.08 -0.09 0.00 0.42 0.00 0.00 52.86 54.86 3hbm s ASN 246 Cb -0.10 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 3hbm s ASN 246 CO 0.28 -0.50 0.18 0.72 -3.72 0.00 0.00 177.10 174.06 3hbm s PHE 247 N 2.74 0.07 -0.12 0.43 -0.71 -1.26 -0.60 117.98 118.53 3hbm s PHE 247 Ca 0.36 -0.27 -0.01 0.00 -1.04 0.00 0.00 56.93 55.96 3hbm s PHE 247 Cb -0.15 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 3hbm s PHE 247 CO 0.08 -0.40 -0.07 0.21 -1.34 0.00 0.00 175.22 173.70 3hbm s LYS 248 N -2.40 3.31 -0.14 1.99 2.20 0.47 -4.26 119.74 120.90 3hbm s LYS 248 Ca -0.06 -0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 3hbm s LYS 248 Cb -0.02 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 3hbm s LYS 248 CO -0.03 0.37 0.04 0.00 -0.36 0.00 0.00 175.35 175.37 3hbm s ALA 249 N -0.02 3.38 -0.28 3.13 0.00 -0.54 -1.45 121.76 125.98 3hbm s ALA 249 Ca -0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 3hbm s ALA 249 Cb -0.14 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 3hbm s ALA 249 CO 0.03 0.36 0.16 0.42 0.00 0.00 0.00 175.76 176.73 3hbm s ILE 250 N -0.16 5.02 -0.78 0.00 -1.09 0.95 -1.19 121.20 123.94 3hbm s ILE 250 Ca 0.06 0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.25 3hbm s ILE 250 Cb -0.12 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 3hbm s ILE 250 CO 0.02 0.24 1.73 0.00 -1.23 0.00 0.00 174.94 175.69 3hbm h TYR 252 N 12.22 0.82 -3.79 0.00 5.03 -1.92 -3.39 116.97 125.93 3hbm h TYR 252 Ca -0.09 -0.44 -0.25 0.00 2.58 0.00 0.00 58.73 60.53 3hbm h TYR 252 Cb 1.07 -0.10 -0.15 0.00 1.55 0.00 0.00 36.73 39.11 3hbm h TYR 252 CO 1.15 1.27 -0.68 0.14 -1.32 0.00 0.00 178.16 178.71 3hbm s VAL 253 N -3.28 0.69 0.41 1.81 -7.23 -1.26 -4.68 120.40 106.86 3hbm s VAL 253 Ca -0.12 -1.96 0.20 0.00 -1.81 0.00 0.00 61.98 58.29 3hbm s VAL 253 Cb 0.05 -1.88 0.40 0.00 0.56 0.00 0.00 36.38 35.51 3hbm s VAL 253 CO 0.87 -0.69 1.77 0.11 -0.31 0.00 0.00 175.10 176.85 3hbm h LYS 254 N 2.84 0.35 0.00 4.82 1.57 -1.98 -1.57 116.57 122.60 3hbm h LYS 254 Ca -0.36 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3hbm h LYS 254 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3hbm h LYS 254 CO 0.64 0.23 0.00 0.27 -0.57 0.00 0.00 179.45 180.02 3hbm n ASN 255 N -4.60 0.00 -0.75 0.86 0.23 -1.26 -1.95 115.26 107.79 3hbm n ASN 255 Ca 0.26 0.24 0.12 0.00 -0.53 0.00 0.00 54.58 54.67 3hbm n ASN 255 Cb 0.91 -0.37 0.32 0.00 -2.08 0.00 0.00 39.78 38.56 3hbm n ASN 255 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hbm n GLN 256 N -1.37 2.01 -0.33 -3.83 6.02 -0.59 -4.45 117.38 114.84 3hbm n GLN 256 Ca 0.06 -1.50 0.05 0.00 -0.01 0.00 0.00 57.00 55.60 3hbm n GLN 256 Cb 0.14 -1.46 0.20 0.00 1.02 0.00 0.00 30.24 30.15 3hbm n GLN 256 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3hbm h GLU 257 N 3.32 0.86 -0.41 -1.09 5.08 -1.56 -0.88 114.58 119.91 3hbm h GLU 257 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3hbm h GLU 257 Cb 0.72 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3hbm h GLU 257 CO 0.00 0.57 0.17 0.77 -1.00 0.00 0.00 179.01 179.52 3hbm h SER 258 N 0.89 0.56 -0.28 1.42 0.02 -1.84 -0.01 113.55 114.30 3hbm h SER 258 Ca 0.45 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3hbm h SER 258 Cb 0.43 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3hbm h SER 258 CO -0.26 0.57 0.16 0.74 -1.14 0.00 0.00 176.83 176.90 3hbm h THR 259 N 0.52 1.11 -0.68 -2.27 2.02 -1.82 -2.20 112.91 109.60 3hbm h THR 259 Ca 0.14 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3hbm h THR 259 Cb 0.18 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3hbm h THR 259 CO -0.01 0.11 0.43 0.00 0.37 0.00 0.00 175.52 176.42 3hbm h ALA 260 N 1.05 0.86 -0.58 6.16 0.00 -0.85 -0.34 119.26 125.55 3hbm h ALA 260 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hbm h ALA 260 Cb 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hbm h ALA 260 CO -0.02 0.30 0.28 1.15 0.00 0.00 0.00 179.25 180.96 3hbm h THR 261 N 0.92 1.21 -0.08 0.00 2.02 -0.93 -1.53 112.91 114.51 3hbm h THR 261 Ca 0.25 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3hbm h THR 261 Cb -0.08 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3hbm h THR 261 CO -0.05 0.24 0.00 -0.25 0.37 0.00 0.00 175.52 175.83 3hbm h TRP 262 N 0.78 0.16 -0.67 3.16 7.01 -1.10 -2.23 115.95 123.07 3hbm h TRP 262 Ca 0.20 -0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.29 3hbm h TRP 262 Cb 0.12 -0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 27.05 3hbm h TRP 262 CO -0.00 0.40 0.23 -0.07 -2.79 0.00 0.00 178.44 176.21 3hbm h LEU 263 N -0.13 0.19 -0.73 0.65 3.38 -0.92 -0.71 115.31 117.04 3hbm h LEU 263 Ca 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3hbm h LEU 263 Cb 0.34 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3hbm h LEU 263 CO 0.00 0.09 0.32 0.00 0.09 0.00 0.00 178.44 178.95 3hbm h ALA 264 N 1.49 0.94 -0.62 1.53 0.00 -1.13 -0.67 119.26 120.80 3hbm h ALA 264 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hbm h ALA 264 Cb 0.50 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hbm h ALA 264 CO -0.37 0.53 0.39 -0.22 0.00 0.00 0.00 179.25 179.58 3hbm h LYS 265 N 1.03 0.82 0.00 0.00 3.64 -0.79 -0.37 116.57 120.90 3hbm h LYS 265 Ca 0.25 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3hbm h LYS 265 Cb 0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3hbm h LYS 265 CO -0.03 0.56 0.00 1.63 -2.27 0.00 0.00 179.45 179.34 3hbm n LYS 266 N -4.43 0.80 -0.30 1.90 4.76 -0.33 -4.90 118.16 115.67 3hbm n LYS 266 Ca 0.06 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3hbm n LYS 266 Cb 0.06 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 3hbm n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hbm n GLY 267 N 0.86 0.84 3.83 0.72 0.00 -0.15 -5.06 105.19 106.25 3hbm n GLY 267 Ca 0.20 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3hbm n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbm s TYR 268 N -2.00 3.36 0.10 1.61 1.51 -0.35 -4.99 117.35 116.59 3hbm s TYR 268 Ca 0.00 1.40 -0.30 0.00 -1.01 0.00 0.00 57.07 57.15 3hbm s TYR 268 Cb 0.00 -2.68 -0.06 0.00 -0.11 0.00 0.00 41.96 39.11 3hbm s TYR 268 CO 0.00 0.01 1.11 -1.21 -1.11 0.00 0.00 175.55 174.35 3hbm s GLU 269 N -3.04 4.53 -0.01 -0.62 2.02 -1.26 -4.06 118.70 116.27 3hbm s GLU 269 Ca 0.57 1.67 0.03 0.00 0.02 0.00 0.00 54.97 57.26 3hbm s GLU 269 Cb -0.10 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 3hbm s GLU 269 CO 0.16 -0.06 -0.10 0.14 0.02 0.00 0.00 175.26 175.42 3hbm s VAL 270 N 0.47 0.76 -0.15 2.63 -7.23 -1.26 -1.47 120.40 114.14 3hbm s VAL 270 Ca 0.53 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 60.29 3hbm s VAL 270 Cb -0.28 -0.63 -0.00 0.00 0.56 0.00 0.00 36.38 36.03 3hbm s VAL 270 CO 0.31 0.21 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.45 3hbm s GLU 271 N -0.25 3.20 0.00 4.82 2.56 -0.34 -4.97 118.70 123.73 3hbm s GLU 271 Ca 0.04 -0.76 0.15 0.00 0.00 0.00 0.00 54.97 54.40 3hbm s GLU 271 Cb -0.04 -2.60 -0.12 0.00 2.00 0.00 0.00 34.13 33.37 3hbm s GLU 271 CO -0.00 0.03 0.68 0.66 -0.56 0.00 0.00 175.26 176.06 3hbm n TYR 272 N 4.02 0.00 0.28 5.30 4.02 -1.26 -1.31 117.16 128.21 3hbm n TYR 272 Ca -0.19 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.85 3hbm n TYR 272 Cb 0.52 0.00 0.82 0.00 -0.02 0.00 0.00 39.34 40.66 3hbm n TYR 272 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3hbm h LYS 273 N 0.43 0.00 0.00 -0.72 2.10 -1.94 -2.38 116.57 114.06 3hbm h LYS 273 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hbm h LYS 273 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3hbm h LYS 273 CO 0.00 0.07 0.00 0.66 -2.00 0.00 0.00 179.45 178.18 3hbm n TYR 274 N -3.45 0.00 0.23 0.07 4.02 -1.26 -1.40 117.16 115.38 3hbm n TYR 274 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.99 3hbm n TYR 274 Cb 0.21 -0.36 0.51 0.00 -0.02 0.00 0.00 39.34 39.68 3hbm n TYR 274 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hbm h LEU 275 N 0.00 0.00 -9.96 7.72 3.38 -1.62 -3.43 115.31 111.41 3hbm h LEU 275 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3hbm h LEU 275 Cb 0.26 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.07 3hbm h LEU 275 CO 0.00 0.18 0.52 -1.61 0.09 0.00 0.00 178.44 177.61 3hbm s GLU 276 N -3.67 3.96 0.35 1.13 2.02 -0.49 -4.92 118.70 117.08 3hbm s GLU 276 Ca 0.01 1.87 0.07 0.00 0.02 0.00 0.00 54.97 56.94 3hbm s GLU 276 Cb 0.10 -2.62 0.77 0.00 0.10 0.00 0.00 34.13 32.48 3hbm s GLU 276 CO 0.62 -0.41 1.90 1.25 0.02 0.00 0.00 175.26 178.64 3hbm h HIS 277 N 2.49 0.83 0.00 1.61 -0.00 -1.88 -1.04 115.15 117.16 3hbm h HIS 277 Ca -0.49 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3hbm h HIS 277 Cb 1.24 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3hbm h HIS 277 CO 0.54 0.36 0.00 1.12 -0.00 0.00 0.00 177.93 179.95 3hbm h HIS 278 N 0.74 0.00 -0.52 5.26 2.07 -1.93 -2.16 115.15 118.62 3hbm h HIS 278 Ca 0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 3hbm h HIS 278 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 3hbm h HIS 278 CO -0.00 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.58 3hbm n HIS 279 N -2.70 1.10 0.65 6.12 8.25 -0.39 -4.44 115.22 123.81 3hbm n HIS 279 Ca -0.00 -0.45 0.12 0.00 -0.26 0.00 0.00 57.72 57.12 3hbm n HIS 279 Cb 0.16 -0.17 0.47 0.00 1.12 0.00 0.00 29.99 31.57 3hbm n HIS 279 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hbm n HIS 280 N 0.89 0.50 -3.84 4.41 8.25 -0.81 -4.73 115.22 119.89 3hbm n HIS 280 Ca 0.20 0.17 -0.12 0.00 -0.26 0.00 0.00 57.72 57.71 3hbm n HIS 280 Cb 0.68 -0.77 -0.10 0.00 1.12 0.00 0.00 29.99 30.92 3hbm n HIS 280 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3hbm s HIS 281 N -3.11 -0.06 0.00 4.41 3.76 -1.26 -4.38 115.29 114.65 3hbm s HIS 281 Ca 0.09 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 3hbm s HIS 281 Cb 0.13 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.83 3hbm s HIS 281 CO 0.48 -0.26 0.00 0.72 -0.85 0.00 0.00 174.74 174.83