#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbm h LYS 3 N 0.00 0.00 -6.43 0.00 1.57 -2.03 -3.46 116.57 106.22 1hbm h LYS 3 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1hbm h LYS 3 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 1hbm h LYS 3 CO 0.00 0.73 -0.78 -0.06 -0.57 0.00 0.00 179.45 178.77 1hbm s PHE 4 N -3.20 2.36 -0.46 -1.35 0.40 -1.26 -5.05 117.98 109.42 1hbm s PHE 4 Ca 0.00 -0.32 0.24 0.00 -0.60 0.00 0.00 56.93 56.24 1hbm s PHE 4 Cb 0.11 -1.11 0.26 0.00 0.51 0.00 0.00 43.02 42.79 1hbm s PHE 4 CO 0.77 0.58 1.32 0.93 0.70 0.00 0.00 175.22 179.53 1hbm h GLU 5 N 2.76 0.00 -6.97 0.44 5.08 -2.05 -3.47 114.58 110.37 1hbm h GLU 5 Ca -0.44 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.37 1hbm h GLU 5 Cb 1.23 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.60 1hbm h GLU 5 CO 0.54 0.00 0.70 -0.25 -1.00 0.00 0.00 179.01 178.99 1hbm n ASP 6 N -2.52 3.31 -4.22 1.42 8.00 -1.26 -4.93 116.55 116.36 1hbm n ASP 6 Ca 0.02 1.13 -0.19 0.00 0.71 0.00 0.00 54.79 56.46 1hbm n ASP 6 Cb 0.50 -1.60 -0.12 0.00 -0.02 0.00 0.00 41.12 39.88 1hbm n ASP 6 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1hbm s LYS 7 N -2.42 0.94 0.06 -1.24 1.02 -1.26 -1.42 119.74 115.42 1hbm s LYS 7 Ca 0.61 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 55.53 1hbm s LYS 7 Cb -0.45 -0.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1hbm s LYS 7 CO 0.58 0.20 -0.11 0.14 -0.92 0.00 0.00 175.35 175.24 1hbm s VAL 8 N -1.64 0.83 0.05 3.17 -7.23 0.21 -4.87 120.40 110.91 1hbm s VAL 8 Ca 0.04 -1.22 -0.19 0.00 -1.81 0.00 0.00 61.98 58.80 1hbm s VAL 8 Cb -0.08 -0.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.93 1hbm s VAL 8 CO 0.03 -0.32 0.54 -1.81 -0.31 0.00 0.00 175.10 173.23 1hbm s ASP 9 N -1.71 7.00 -0.14 4.85 1.01 -1.26 -0.71 116.67 125.71 1hbm s ASP 9 Ca -0.05 1.19 -0.04 0.00 0.71 0.00 0.00 52.55 54.36 1hbm s ASP 9 Cb -0.09 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1hbm s ASP 9 CO 0.01 0.25 -0.01 -0.76 0.21 0.00 0.00 175.17 174.87 1hbm s LEU 10 N -0.94 3.42 0.30 1.23 1.43 0.05 -1.01 118.68 123.16 1hbm s LEU 10 Ca 0.28 -0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.45 1hbm s LEU 10 Cb -0.19 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1hbm s LEU 10 CO 0.18 0.22 -0.15 -0.31 0.23 0.00 0.00 176.35 176.52 1hbm s TYR 11 N 0.07 2.26 0.19 0.29 1.51 -1.26 -0.11 117.35 120.30 1hbm s TYR 11 Ca 0.01 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1hbm s TYR 11 Cb -0.13 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1hbm s TYR 11 CO 0.02 0.61 0.26 -0.40 -1.11 0.00 0.00 175.55 174.93 1hbm n ASP 12 N -0.66 0.67 -0.29 2.29 3.85 -0.50 -4.85 116.55 117.05 1hbm n ASP 12 Ca -0.05 -1.49 0.06 0.00 -0.71 0.00 0.00 54.79 52.60 1hbm n ASP 12 Cb 0.62 -0.14 0.27 0.00 -1.35 0.00 0.00 41.12 40.52 1hbm n ASP 12 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1hbm n ASP 13 N -2.79 0.85 -0.77 -1.12 3.85 -1.26 -1.82 116.55 113.50 1hbm n ASP 13 Ca 0.05 -1.78 0.07 0.00 -0.71 0.00 0.00 54.79 52.43 1hbm n ASP 13 Cb 0.19 -0.08 0.17 0.00 -1.35 0.00 0.00 41.12 40.05 1hbm n ASP 13 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1hbm n ARG 14 N -0.13 2.43 -1.58 0.11 5.12 -1.26 -4.99 116.66 116.36 1hbm n ARG 14 Ca 0.10 -2.02 -0.06 0.00 -1.93 0.00 0.00 57.85 53.94 1hbm n ARG 14 Cb 0.17 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.12 1hbm n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hbm n GLY 15 N 0.81 0.52 3.87 -0.13 0.00 -0.75 -5.04 105.19 104.46 1hbm n GLY 15 Ca 0.13 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1hbm n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hbm s ASN 16 N -2.85 6.44 0.23 1.61 0.01 -1.26 -4.86 114.94 114.25 1hbm s ASN 16 Ca 0.00 0.53 -0.31 0.00 -0.71 0.00 0.00 52.86 52.37 1hbm s ASN 16 Cb 0.00 -2.09 -0.11 0.00 0.41 0.00 0.00 41.25 39.46 1hbm s ASN 16 CO 0.00 0.40 1.62 -0.22 -1.51 0.00 0.00 177.10 177.38 1hbm s LEU 17 N -1.03 4.36 -0.17 0.60 2.96 -1.26 -1.41 118.68 122.74 1hbm s LEU 17 Ca 0.16 2.81 -0.07 0.00 -0.22 0.00 0.00 54.13 56.81 1hbm s LEU 17 Cb -0.13 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 1hbm s LEU 17 CO 0.05 -0.89 -0.21 0.52 -1.32 0.00 0.00 176.35 174.50 1hbm n VAL 18 N 3.28 0.93 -3.68 1.68 0.31 0.84 -4.89 118.33 116.79 1hbm n VAL 18 Ca 0.12 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 1hbm n VAL 18 Cb 0.37 -1.64 -0.10 0.00 -0.91 0.00 0.00 33.84 31.57 1hbm n VAL 18 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1hbm s GLU 19 N -2.31 0.50 0.27 5.55 2.56 -0.97 -5.02 118.70 119.29 1hbm s GLU 19 Ca -0.23 0.88 -0.12 0.00 0.00 0.00 0.00 54.97 55.50 1hbm s GLU 19 Cb 0.09 0.06 -0.08 0.00 2.00 0.00 0.00 34.13 36.20 1hbm s GLU 19 CO 0.31 -0.14 0.63 -1.21 -0.56 0.00 0.00 175.26 174.29 1hbm s GLU 20 N 1.28 3.89 -1.26 4.30 2.02 -1.26 -0.77 118.70 126.89 1hbm s GLU 20 Ca -0.08 0.45 -0.08 0.00 0.02 0.00 0.00 54.97 55.27 1hbm s GLU 20 Cb -0.07 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1hbm s GLU 20 CO -0.12 0.24 0.66 1.04 0.02 0.00 0.00 175.26 177.09 1hbm n GLN 21 N -0.27 -2.89 -3.41 1.61 1.13 -1.13 -4.92 117.38 107.50 1hbm n GLN 21 Ca 0.02 0.50 -0.38 0.00 -1.94 0.00 0.00 57.00 55.20 1hbm n GLN 21 Cb 0.53 -4.61 -0.06 0.00 0.11 0.00 0.00 30.24 26.21 1hbm n GLN 21 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1hbm s VAL 22 N -3.67 4.91 0.36 5.09 1.01 0.12 -4.78 120.40 123.45 1hbm s VAL 22 Ca 0.20 0.99 -0.28 0.00 0.00 0.00 0.00 61.98 62.89 1hbm s VAL 22 Cb -0.07 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 1hbm s VAL 22 CO 0.85 0.57 1.50 -2.65 0.00 0.00 0.00 175.10 175.37 1hbm n PRO 23 N 1.78 2.66 -0.28 2.72 -0.02 -1.26 -0.62 135.00 139.98 1hbm n PRO 23 Ca -0.12 0.93 0.06 0.00 -2.02 0.00 0.00 63.50 62.35 1hbm n PRO 23 Cb 0.52 -2.67 0.21 0.00 -0.02 0.00 0.00 33.50 31.54 1hbm n PRO 23 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hbm h LEU 24 N 3.19 0.43 0.00 2.45 5.85 -1.58 -1.51 115.31 124.14 1hbm h LEU 24 Ca -0.50 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1hbm h LEU 24 Cb 1.24 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1hbm h LEU 24 CO 0.66 0.18 0.00 -0.62 -0.34 0.00 0.00 178.44 178.32 1hbm n GLU 25 N -4.92 0.12 0.21 1.25 1.02 -1.26 -1.74 120.64 115.32 1hbm n GLU 25 Ca 0.16 0.20 0.15 0.00 -0.02 0.00 0.00 57.16 57.64 1hbm n GLU 25 Cb 0.42 -1.50 0.67 0.00 -0.02 0.00 0.00 31.44 31.01 1hbm n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hbm h ALA 26 N 2.60 1.00 -0.01 0.62 0.00 -1.63 -1.56 119.26 120.27 1hbm h ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hbm h ALA 26 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hbm h ALA 26 CO 0.00 0.00 -0.26 1.28 0.00 0.00 0.00 179.25 180.27 1hbm n LEU 27 N -2.63 1.66 -4.77 0.00 4.77 -0.71 -4.41 117.00 110.91 1hbm n LEU 27 Ca 0.00 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 1hbm n LEU 27 Cb 0.20 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1hbm n LEU 27 CO 0.21 0.30 1.10 -0.55 -1.33 0.00 0.00 177.39 177.11 1hbm s SER 28 N -2.35 6.50 0.40 -1.43 0.15 -0.59 -4.82 113.70 111.55 1hbm s SER 28 Ca 0.25 2.91 0.13 0.00 0.70 0.00 0.00 55.95 59.94 1hbm s SER 28 Cb 0.19 -2.66 0.96 0.00 -1.71 0.00 0.00 66.02 62.81 1hbm s SER 28 CO 0.48 -0.76 1.89 -0.65 1.20 0.00 0.00 173.24 175.40 1hbm h PRO 29 N 3.39 0.51 0.00 5.44 0.11 -1.91 -0.50 132.00 139.04 1hbm h PRO 29 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1hbm h PRO 29 Cb 1.23 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1hbm h PRO 29 CO 0.67 0.34 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.65 1hbm h LEU 30 N 0.52 0.00 0.00 2.35 3.38 -1.93 -3.35 115.31 116.28 1hbm h LEU 30 Ca 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1hbm h LEU 30 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1hbm h LEU 30 CO -0.16 0.07 -1.07 0.54 0.09 0.00 0.00 178.44 177.91 1hbm n ARG 31 N -3.37 3.10 -2.89 1.13 5.12 -0.68 -5.04 116.66 114.03 1hbm n ARG 31 Ca -0.01 -0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.49 1hbm n ARG 31 Cb 0.23 -1.03 -0.04 0.00 -1.16 0.00 0.00 32.46 30.46 1hbm n ARG 31 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1hbm s ASN 32 N -2.94 7.00 0.35 0.55 3.84 -0.28 -4.94 114.94 118.52 1hbm s ASN 32 Ca -0.00 1.22 0.15 0.00 0.21 0.00 0.00 52.86 54.44 1hbm s ASN 32 Cb 0.00 -2.46 0.63 0.00 -0.55 0.00 0.00 41.25 38.87 1hbm s ASN 32 CO 0.04 -0.36 1.73 1.55 -2.79 0.00 0.00 177.10 177.28 1hbm h PRO 33 N 7.22 0.00 -0.18 0.43 0.13 -1.90 -2.00 132.00 135.70 1hbm h PRO 33 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.62 1hbm h PRO 33 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1hbm h PRO 33 CO 0.82 0.44 -0.66 0.00 -0.23 0.00 0.00 178.00 178.37 1hbm h ALA 34 N 1.56 0.49 -0.60 -0.56 0.00 -1.92 -0.71 119.26 117.52 1hbm h ALA 34 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1hbm h ALA 34 Cb 0.87 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1hbm h ALA 34 CO 0.06 0.70 0.37 0.82 0.00 0.00 0.00 179.25 181.19 1hbm h ILE 35 N 0.50 1.18 -0.56 0.00 2.04 -1.86 -0.17 117.51 118.64 1hbm h ILE 35 Ca -0.02 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.49 1hbm h ILE 35 Cb 1.26 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1hbm h ILE 35 CO 0.13 0.18 0.32 0.50 0.00 0.00 0.00 178.15 179.28 1hbm h LYS 36 N 0.82 0.60 -0.72 2.37 3.64 -1.27 -1.29 116.57 120.71 1hbm h LYS 36 Ca 0.22 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1hbm h LYS 36 Cb -0.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1hbm h LYS 36 CO -0.04 0.40 0.35 1.03 -2.27 0.00 0.00 179.45 178.91 1hbm h SER 37 N 0.62 0.95 -0.24 4.20 0.87 -0.84 0.48 113.55 119.58 1hbm h SER 37 Ca 0.24 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1hbm h SER 37 Cb 0.09 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1hbm h SER 37 CO -0.14 0.81 0.15 0.40 -0.53 0.00 0.00 176.83 177.53 1hbm h ILE 38 N 1.01 1.08 0.04 2.23 2.04 -0.75 0.14 117.51 123.31 1hbm h ILE 38 Ca 0.25 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1hbm h ILE 38 Cb 0.12 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1hbm h ILE 38 CO -0.03 0.08 -0.02 0.58 0.00 0.00 0.00 178.15 178.76 1hbm h VAL 39 N 0.30 1.13 -0.45 1.67 2.07 -1.00 0.14 116.25 120.10 1hbm h VAL 39 Ca 0.09 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1hbm h VAL 39 Cb -0.00 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1hbm h VAL 39 CO -0.02 0.14 0.07 1.56 0.02 0.00 0.00 177.57 179.34 1hbm h GLN 40 N -0.30 0.70 -0.20 1.57 4.20 -0.92 -1.48 115.11 118.68 1hbm h GLN 40 Ca -0.01 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1hbm h GLN 40 Cb 0.27 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1hbm h GLN 40 CO 0.01 0.67 0.10 0.78 -0.67 0.00 0.00 178.83 179.71 1hbm h GLY 41 N 0.91 0.26 1.74 3.46 0.00 -0.55 -2.39 103.07 106.50 1hbm h GLY 41 Ca 0.15 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1hbm h GLY 41 CO 0.00 0.06 -0.30 -2.22 0.00 0.00 0.00 176.54 174.08 1hbm h ILE 42 N 0.21 1.27 -0.90 2.60 2.04 -0.58 -1.80 117.51 120.35 1hbm h ILE 42 Ca 0.08 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1hbm h ILE 42 Cb 0.02 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1hbm h ILE 42 CO -0.06 0.39 0.59 0.11 0.00 0.00 0.00 178.15 179.18 1hbm h LYS 43 N 0.27 1.17 -0.07 2.37 1.57 -1.11 -3.31 116.57 117.46 1hbm h LYS 43 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1hbm h LYS 43 Cb 0.67 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1hbm h LYS 43 CO 0.05 0.77 0.00 2.89 -0.57 0.00 0.00 179.45 182.59 1hbm n ARG 44 N -4.40 1.45 -3.84 3.15 1.85 -0.75 -4.58 116.66 109.54 1hbm n ARG 44 Ca 0.11 -1.57 -0.36 0.00 -1.00 0.00 0.00 57.85 55.03 1hbm n ARG 44 Cb 0.03 -1.33 -0.07 0.00 -1.05 0.00 0.00 32.46 30.04 1hbm n ARG 44 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1hbm s THR 45 N -1.35 5.35 -0.01 8.89 2.01 -0.76 -0.97 115.64 128.79 1hbm s THR 45 Ca 0.21 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1hbm s THR 45 Cb 0.14 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 1hbm s THR 45 CO 0.21 0.52 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.89 1hbm s VAL 46 N -0.23 0.66 -0.20 3.82 1.01 0.10 -4.73 120.40 120.83 1hbm s VAL 46 Ca 0.10 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1hbm s VAL 46 Cb -0.12 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1hbm s VAL 46 CO 0.01 0.20 0.25 0.00 0.00 0.00 0.00 175.10 175.56 1hbm s ALA 47 N -0.01 3.60 -0.18 5.51 0.00 -0.13 -1.69 121.76 128.88 1hbm s ALA 47 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1hbm s ALA 47 Cb -0.05 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1hbm s ALA 47 CO -0.00 -0.09 -0.04 0.08 0.00 0.00 0.00 175.76 175.72 1hbm s VAL 48 N 0.85 3.73 -0.85 0.00 1.01 -0.15 -1.18 120.40 123.81 1hbm s VAL 48 Ca 0.13 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1hbm s VAL 48 Cb -0.13 -2.66 0.21 0.00 0.00 0.00 0.00 36.38 33.81 1hbm s VAL 48 CO 0.04 0.47 0.82 0.21 0.00 0.00 0.00 175.10 176.64 1hbm s ASN 49 N 0.73 6.78 0.25 3.32 3.84 -0.39 -1.14 114.94 128.31 1hbm s ASN 49 Ca -0.02 -2.66 -0.03 0.00 0.21 0.00 0.00 52.86 50.36 1hbm s ASN 49 Cb -0.14 -2.23 0.29 0.00 -0.55 0.00 0.00 41.25 38.61 1hbm s ASN 49 CO 0.02 -0.61 1.75 -0.07 -2.79 0.00 0.00 177.10 175.39 1hbm h LEU 50 N 8.02 0.83 -0.16 3.21 3.38 -1.36 -0.60 115.31 128.63 1hbm h LEU 50 Ca 0.12 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1hbm h LEU 50 Cb 1.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1hbm h LEU 50 CO 0.80 0.88 0.09 -0.08 0.09 0.00 0.00 178.44 180.21 1hbm h GLU 51 N 0.80 0.18 -0.47 1.13 4.81 -1.58 -1.68 114.58 117.78 1hbm h GLU 51 Ca 0.16 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1hbm h GLU 51 Cb 0.45 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1hbm h GLU 51 CO 0.02 0.12 0.23 0.78 -0.73 0.00 0.00 179.01 179.42 1hbm h GLY 52 N 0.19 0.64 0.70 1.92 0.00 -1.75 -0.60 103.07 104.17 1hbm h GLY 52 Ca 0.06 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1hbm h GLY 52 CO -0.03 0.09 0.22 -2.22 0.00 0.00 0.00 176.54 174.60 1hbm h ILE 53 N 0.45 0.93 0.12 2.60 2.04 -1.02 -0.90 117.51 121.73 1hbm h ILE 53 Ca 0.21 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1hbm h ILE 53 Cb 0.13 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1hbm h ILE 53 CO -0.15 0.08 -0.06 -0.08 0.00 0.00 0.00 178.15 177.94 1hbm h GLU 54 N 0.43 -0.16 -0.75 2.37 4.81 -0.95 -1.46 114.58 118.88 1hbm h GLU 54 Ca 0.21 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1hbm h GLU 54 Cb 0.15 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1hbm h GLU 54 CO -0.17 -0.09 0.44 -0.91 -0.73 0.00 0.00 179.01 177.55 1hbm h ASN 55 N -0.18 0.91 -0.60 1.04 2.35 -1.08 -0.61 115.58 117.40 1hbm h ASN 55 Ca -0.02 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1hbm h ASN 55 Cb 0.14 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1hbm h ASN 55 CO 0.03 0.72 0.35 0.00 -1.65 0.00 0.00 177.43 176.88 1hbm h ALA 56 N 1.23 0.78 -0.28 -0.83 0.00 -0.93 -2.33 119.26 116.90 1hbm h ALA 56 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1hbm h ALA 56 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1hbm h ALA 56 CO -0.05 0.07 0.08 -0.07 0.00 0.00 0.00 179.25 179.28 1hbm h LEU 57 N 0.69 0.42 -1.78 0.00 3.38 -1.00 0.45 115.31 117.47 1hbm h LEU 57 Ca 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1hbm h LEU 57 Cb 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1hbm h LEU 57 CO -0.12 0.53 -0.16 0.11 0.09 0.00 0.00 178.44 178.89 1hbm h LYS 58 N 0.29 0.00 -0.01 1.13 1.57 -0.94 -0.68 116.57 117.94 1hbm h LYS 58 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1hbm h LYS 58 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1hbm h LYS 58 CO -0.00 0.16 -0.53 0.25 -0.57 0.00 0.00 179.45 178.76 1hbm n THR 59 N -3.93 0.00 -2.15 -0.16 -2.24 -0.89 -4.43 114.28 100.47 1hbm n THR 59 Ca -0.02 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 1hbm n THR 59 Cb 0.25 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 1hbm n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hbm n ALA 60 N -0.75 -0.53 -3.14 6.98 0.00 0.09 -4.76 120.51 118.39 1hbm n ALA 60 Ca 0.05 0.22 -0.45 0.00 0.00 0.00 0.00 53.44 53.25 1hbm n ALA 60 Cb 0.29 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 1hbm n ALA 60 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1hbm s LYS 61 N -4.65 3.36 0.05 0.00 1.02 -0.81 -1.43 119.74 117.28 1hbm s LYS 61 Ca 0.00 -1.82 0.02 0.00 0.02 0.00 0.00 55.97 54.19 1hbm s LYS 61 Cb 0.00 -4.48 -0.03 0.00 -0.52 0.00 0.00 37.83 32.80 1hbm s LYS 61 CO 0.00 -1.51 -0.07 0.14 -0.92 0.00 0.00 175.35 172.99 1hbm s VAL 62 N 1.83 0.50 0.00 3.17 -7.23 -1.22 -4.61 120.40 112.84 1hbm s VAL 62 Ca 0.18 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1hbm s VAL 62 Cb -0.15 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.01 1hbm s VAL 62 CO -0.03 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 1hbm n GLY 63 N 1.17 0.85 0.00 2.32 0.00 -1.26 -4.34 105.19 103.93 1hbm n GLY 63 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1hbm n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbm n GLY 64 N -2.00 2.00 3.68 -0.02 0.00 -1.26 -4.52 105.19 103.09 1hbm n GLY 64 Ca 0.00 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 1hbm n GLY 64 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hbm n PRO 65 N -1.61 2.71 -1.03 1.61 -0.02 -1.26 -1.79 135.00 133.61 1hbm n PRO 65 Ca 0.00 0.99 -0.01 0.00 -2.02 0.00 0.00 63.50 62.45 1hbm n PRO 65 Cb 0.00 -2.88 -0.00 0.00 -0.02 0.00 0.00 33.50 30.60 1hbm n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hbm n ALA 66 N 5.80 -0.02 -2.21 3.55 0.00 -1.26 -5.00 120.51 121.38 1hbm n ALA 66 Ca 0.19 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 1hbm n ALA 66 Cb 0.36 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 1hbm n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hbm s LYS 68 N -2.02 0.83 -0.36 0.00 2.20 -1.26 -3.41 119.74 115.72 1hbm s LYS 68 Ca 0.41 0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 56.84 1hbm s LYS 68 Cb -0.16 0.40 0.08 0.00 -1.51 0.00 0.00 37.83 36.64 1hbm s LYS 68 CO 0.20 -0.13 0.11 0.42 -0.36 0.00 0.00 175.35 175.59 1hbm s ILE 69 N 0.14 3.21 0.29 5.43 1.01 -0.52 -4.97 121.20 125.79 1hbm s ILE 69 Ca -0.02 -1.69 -0.30 0.00 0.00 0.00 0.00 60.65 58.64 1hbm s ILE 69 Cb -0.04 -3.02 -0.12 0.00 0.01 0.00 0.00 42.46 39.29 1hbm s ILE 69 CO 0.02 -0.40 1.59 0.23 0.00 0.00 0.00 174.94 176.38 1hbm n MET 70 N 4.62 2.69 -0.28 2.79 2.81 -1.26 -2.52 117.12 125.97 1hbm n MET 70 Ca -0.07 0.96 0.00 0.00 -1.81 0.00 0.00 57.70 56.77 1hbm n MET 70 Cb 0.42 -2.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.20 1hbm n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hbm n GLY 71 N 2.17 0.92 1.15 3.03 0.00 -1.26 -4.93 105.19 106.28 1hbm n GLY 71 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1hbm n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hbm n ARG 72 N -2.00 2.50 -1.68 1.61 5.12 -1.05 -5.02 116.66 116.14 1hbm n ARG 72 Ca 0.00 -2.27 -0.43 0.00 -1.93 0.00 0.00 57.85 53.22 1hbm n ARG 72 Cb 0.00 -1.52 -0.01 0.00 -1.16 0.00 0.00 32.46 29.77 1hbm n ARG 72 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1hbm n GLU 73 N 1.46 2.01 -3.82 5.56 4.71 -1.26 -4.78 120.64 124.52 1hbm n GLU 73 Ca 0.20 0.71 -0.24 0.00 -0.01 0.00 0.00 57.16 57.82 1hbm n GLU 73 Cb 0.60 -2.26 -0.17 0.00 -1.01 0.00 0.00 31.44 28.59 1hbm n GLU 73 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1hbm s LEU 74 N -0.74 0.76 -0.93 -4.62 1.43 -0.29 -5.00 118.68 109.29 1hbm s LEU 74 Ca 0.57 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 1hbm s LEU 74 Cb -0.59 -0.54 0.20 0.00 0.03 0.00 0.00 46.19 45.29 1hbm s LEU 74 CO 0.61 -0.17 0.97 -0.62 0.23 0.00 0.00 176.35 177.37 1hbm s ASP 75 N 1.87 6.86 -0.09 2.29 2.15 -1.26 -2.80 116.67 125.69 1hbm s ASP 75 Ca 0.05 -2.72 0.04 0.00 0.43 0.00 0.00 52.55 50.34 1hbm s ASP 75 Cb -0.12 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.22 1hbm s ASP 75 CO -0.06 -0.66 -0.21 -0.76 -0.17 0.00 0.00 175.17 173.32 1hbm s LEU 76 N 0.64 2.29 -1.41 -1.34 1.43 -1.26 -5.05 118.68 113.97 1hbm s LEU 76 Ca 0.26 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 1hbm s LEU 76 Cb -0.08 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1hbm s LEU 76 CO -0.08 0.20 2.12 -0.67 0.23 0.00 0.00 176.35 178.16 1hbm n ASP 77 N 3.24 4.20 0.01 2.29 2.03 -1.26 -4.77 116.55 122.28 1hbm n ASP 77 Ca -0.18 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.10 1hbm n ASP 77 Cb 0.53 -1.62 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 1hbm n ASP 77 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1hbm h ILE 78 N 4.01 1.22 -0.61 5.18 2.04 -1.95 -2.67 117.51 124.73 1hbm h ILE 78 Ca 0.52 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1hbm h ILE 78 Cb 0.65 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1hbm h ILE 78 CO 1.81 0.18 0.04 0.58 0.00 0.00 0.00 178.15 180.75 1hbm h VAL 79 N -0.30 1.26 0.00 1.67 2.07 -1.84 -1.72 116.25 117.39 1hbm h VAL 79 Ca -0.00 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1hbm h VAL 79 Cb 0.29 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1hbm h VAL 79 CO 0.00 0.40 -0.09 1.23 0.02 0.00 0.00 177.57 179.13 1hbm h GLY 80 N 1.01 0.00 -2.26 2.17 0.00 -1.92 -2.31 103.07 99.77 1hbm h GLY 80 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.31 1hbm h GLY 80 CO 0.02 0.00 0.02 0.70 0.00 0.00 0.00 176.54 177.29 1hbm n ASN 81 N -4.29 2.81 -0.25 0.19 3.02 -0.91 -4.82 115.26 111.03 1hbm n ASN 81 Ca -0.03 -3.67 -0.02 0.00 -0.03 0.00 0.00 54.58 50.83 1hbm n ASN 81 Cb 0.16 -0.65 0.17 0.00 -0.61 0.00 0.00 39.78 38.85 1hbm n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hbm h ALA 82 N 1.12 1.29 -0.25 5.41 0.00 -0.73 -2.41 119.26 123.69 1hbm h ALA 82 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hbm h ALA 82 Cb 1.80 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1hbm h ALA 82 CO 0.47 0.58 0.15 1.49 0.00 0.00 0.00 179.25 181.94 1hbm h GLU 83 N 1.08 0.34 -0.59 0.00 4.57 -1.87 0.71 114.58 118.82 1hbm h GLU 83 Ca 0.28 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1hbm h GLU 83 Cb 0.02 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1hbm h GLU 83 CO -0.05 0.25 0.34 1.03 -1.18 0.00 0.00 179.01 179.40 1hbm h SER 84 N 0.32 0.72 -0.28 1.04 0.87 -1.89 -1.65 113.55 112.68 1hbm h SER 84 Ca 0.09 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1hbm h SER 84 Cb 0.00 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1hbm h SER 84 CO -0.02 0.59 0.01 0.40 -0.53 0.00 0.00 176.83 177.29 1hbm h ILE 85 N 0.79 1.25 -0.72 2.23 2.04 -1.23 -1.37 117.51 120.50 1hbm h ILE 85 Ca 0.21 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1hbm h ILE 85 Cb 0.02 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1hbm h ILE 85 CO -0.04 0.29 0.25 0.00 0.00 0.00 0.00 178.15 178.65 1hbm h ALA 86 N 0.84 1.07 -0.41 1.87 0.00 -0.76 -0.23 119.26 121.64 1hbm h ALA 86 Ca 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1hbm h ALA 86 Cb 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1hbm h ALA 86 CO 0.01 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.95 1hbm h ALA 87 N 1.20 0.55 -0.85 0.00 0.00 -1.15 -0.92 119.26 118.08 1hbm h ALA 87 Ca 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1hbm h ALA 87 Cb 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1hbm h ALA 87 CO -0.01 0.29 0.46 0.00 0.00 0.00 0.00 179.25 179.98 1hbm h ALA 88 N 0.92 1.09 -0.66 0.00 0.00 -1.12 -2.39 119.26 117.10 1hbm h ALA 88 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1hbm h ALA 88 Cb 0.41 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1hbm h ALA 88 CO 0.01 0.61 0.10 0.00 0.00 0.00 0.00 179.25 179.97 1hbm h ALA 89 N 1.24 0.92 -0.60 0.00 0.00 -0.86 -2.78 119.26 117.18 1hbm h ALA 89 Ca 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1hbm h ALA 89 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1hbm h ALA 89 CO -0.05 0.67 0.23 -0.22 0.00 0.00 0.00 179.25 179.88 1hbm h LYS 90 N 1.03 0.88 -0.42 0.00 3.64 -0.97 -1.29 116.57 119.44 1hbm h LYS 90 Ca 0.20 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1hbm h LYS 90 Cb 0.45 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1hbm h LYS 90 CO 0.01 0.73 0.26 1.49 -2.27 0.00 0.00 179.45 179.67 1hbm h GLU 91 N 0.86 0.56 0.08 1.90 4.81 -1.15 -1.41 114.58 120.24 1hbm h GLU 91 Ca 0.20 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.14 1hbm h GLU 91 Cb 0.18 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1hbm h GLU 91 CO -0.02 0.39 -1.12 0.52 -0.73 0.00 0.00 179.01 178.06 1hbm h MET 92 N 0.58 0.26 -0.10 1.92 2.86 -1.37 -3.36 114.93 115.73 1hbm h MET 92 Ca 0.15 -0.39 -0.22 0.00 -2.06 0.00 0.00 59.70 57.19 1hbm h MET 92 Cb -0.03 0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.77 1hbm h MET 92 CO -0.03 1.15 -0.82 0.82 1.06 0.00 0.00 176.91 179.09 1hbm h ILE 93 N 0.10 1.31 -4.29 -1.22 2.04 -0.79 -3.46 117.51 111.21 1hbm h ILE 93 Ca -0.10 -2.10 -0.51 0.00 1.00 0.00 0.00 64.86 63.15 1hbm h ILE 93 Cb 1.82 2.11 0.12 0.00 -0.74 0.00 0.00 36.82 40.13 1hbm h ILE 93 CO 0.18 0.65 0.34 0.00 0.00 0.00 0.00 178.15 179.32 1hbm s GLN 94 N -3.61 2.44 -0.25 2.37 -2.07 -0.57 -4.58 119.66 113.39 1hbm s GLN 94 Ca -0.09 1.21 -0.13 0.00 -1.82 0.00 0.00 55.36 54.53 1hbm s GLN 94 Cb 0.09 -1.92 -0.15 0.00 -1.09 0.00 0.00 33.01 29.94 1hbm s GLN 94 CO 0.89 -1.51 -0.17 0.28 -1.32 0.00 0.00 175.29 173.46 1hbm n VAL 95 N -3.22 1.54 -4.26 3.63 0.31 -1.26 -4.99 118.33 110.08 1hbm n VAL 95 Ca 0.09 -0.36 -0.15 0.00 -0.01 0.00 0.00 64.34 63.92 1hbm n VAL 95 Cb 0.53 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.52 1hbm n VAL 95 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1hbm s THR 96 N -2.48 1.23 0.38 2.52 -4.23 -1.26 -5.10 115.64 106.70 1hbm s THR 96 Ca -0.35 -2.03 -0.27 0.00 -1.18 0.00 0.00 61.69 57.86 1hbm s THR 96 Cb 0.12 -1.82 -0.11 0.00 1.34 0.00 0.00 72.50 72.03 1hbm s THR 96 CO 0.55 -0.69 1.41 -0.62 -0.54 0.00 0.00 174.62 174.73 1hbm n GLU 97 N -0.12 2.42 -2.35 3.99 1.02 -1.26 -2.29 120.64 122.06 1hbm n GLU 97 Ca -0.11 0.85 -0.20 0.00 -0.02 0.00 0.00 57.16 57.69 1hbm n GLU 97 Cb 0.60 -2.56 -0.01 0.00 -0.02 0.00 0.00 31.44 29.45 1hbm n GLU 97 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1hbm n ASP 98 N 0.43 -5.63 -2.19 1.62 9.92 -1.26 -5.01 116.55 114.43 1hbm n ASP 98 Ca 0.03 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1hbm n ASP 98 Cb 0.39 -4.71 0.00 0.00 -0.64 0.00 0.00 41.12 36.15 1hbm n ASP 98 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1hbm n ASP 99 N -1.94 0.00 -0.95 -2.24 3.85 -0.97 -4.96 116.55 109.34 1hbm n ASP 99 Ca -0.23 -0.38 0.02 0.00 -0.71 0.00 0.00 54.79 53.49 1hbm n ASP 99 Cb 0.68 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.58 1hbm n ASP 99 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1hbm n ASP 100 N -1.15 2.57 -4.75 -1.12 5.75 -1.26 -4.85 116.55 111.73 1hbm n ASP 100 Ca 0.00 -2.30 -0.41 0.00 -0.01 0.00 0.00 54.79 52.06 1hbm n ASP 100 Cb 0.00 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.52 1hbm n ASP 100 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1hbm s THR 101 N -1.61 2.58 -0.06 2.12 2.01 -1.26 -4.69 115.64 114.74 1hbm s THR 101 Ca 0.19 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.71 1hbm s THR 101 Cb 0.14 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.34 1hbm s THR 101 CO 0.06 0.09 -0.11 0.20 -0.69 0.00 0.00 174.62 174.16 1hbm s ASN 102 N 0.23 1.67 -0.17 3.53 0.01 -0.91 -4.98 114.94 114.32 1hbm s ASN 102 Ca 0.58 -0.28 -0.03 0.00 -0.71 0.00 0.00 52.86 52.42 1hbm s ASN 102 Cb -0.42 -0.77 0.05 0.00 0.41 0.00 0.00 41.25 40.52 1hbm s ASN 102 CO 0.46 0.03 0.03 -0.69 -1.51 0.00 0.00 177.10 175.42 1hbm s VAL 103 N 0.67 0.46 -0.10 1.60 1.01 -1.26 -0.48 120.40 122.30 1hbm s VAL 103 Ca -0.14 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1hbm s VAL 103 Cb -0.15 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1hbm s VAL 103 CO 0.03 -0.12 -0.09 -1.61 0.00 0.00 0.00 175.10 173.31 1hbm s GLU 104 N 1.90 1.62 0.31 2.72 2.02 0.02 -4.98 118.70 122.30 1hbm s GLU 104 Ca 0.00 -0.32 -0.28 0.00 0.02 0.00 0.00 54.97 54.40 1hbm s GLU 104 Cb -0.16 -1.56 -0.09 0.00 0.10 0.00 0.00 34.13 32.41 1hbm s GLU 104 CO -0.08 -0.18 1.06 -0.51 0.02 0.00 0.00 175.26 175.58 1hbm s LEU 105 N 1.39 4.44 0.19 1.80 1.43 -1.26 -1.43 118.68 125.24 1hbm s LEU 105 Ca -0.01 2.16 0.08 0.00 -1.03 0.00 0.00 54.13 55.33 1hbm s LEU 105 Cb -0.14 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1hbm s LEU 105 CO -0.05 -0.20 -0.15 -0.76 0.23 0.00 0.00 176.35 175.41 1hbm s LEU 106 N -1.77 2.52 -1.21 1.79 1.43 0.02 -4.86 118.68 116.60 1hbm s LEU 106 Ca 0.48 -0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1hbm s LEU 106 Cb -0.28 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.23 1hbm s LEU 106 CO 0.36 -0.13 1.05 0.61 0.23 0.00 0.00 176.35 178.46 1hbm n GLY 107 N -0.14 -0.39 3.14 -3.19 0.00 -1.26 -1.98 105.19 101.36 1hbm n GLY 107 Ca -0.10 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1hbm n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbm n GLY 108 N -1.65 -0.52 1.36 -0.02 0.00 -1.26 -2.33 105.19 100.76 1hbm n GLY 108 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hbm n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbm n GLY 109 N -1.57 0.80 0.15 -0.02 0.00 -0.92 -4.94 105.19 98.69 1hbm n GLY 109 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 1hbm n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hbm h LYS 110 N 3.98 0.00 -5.01 1.61 1.57 -1.02 -3.43 116.57 114.26 1hbm h LYS 110 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1hbm h LYS 110 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1hbm h LYS 110 CO 0.00 0.54 -0.70 1.03 -0.57 0.00 0.00 179.45 179.75 1hbm s ARG 111 N -3.27 1.07 -0.02 3.15 3.00 -0.84 -1.01 118.95 121.03 1hbm s ARG 111 Ca 0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 55.73 54.26 1hbm s ARG 111 Cb 0.10 -0.56 0.01 0.00 0.00 0.00 0.00 34.95 34.50 1hbm s ARG 111 CO 0.73 0.04 0.05 0.00 0.00 0.00 0.00 175.30 176.12 1hbm s ALA 112 N -3.38 -0.11 -0.12 2.13 0.00 -0.29 -0.80 121.76 119.19 1hbm s ALA 112 Ca 0.18 0.14 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 1hbm s ALA 112 Cb 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1hbm s ALA 112 CO 0.01 -0.03 0.47 -1.17 0.00 0.00 0.00 175.76 175.04 1hbm s LEU 113 N 0.08 4.28 -0.08 0.00 0.20 -0.51 -0.98 118.68 121.66 1hbm s LEU 113 Ca -0.00 0.80 0.02 0.00 0.69 0.00 0.00 54.13 55.64 1hbm s LEU 113 Cb -0.01 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.09 1hbm s LEU 113 CO -0.00 0.01 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.25 1hbm s VAL 114 N 0.58 1.24 -0.23 1.68 1.01 -0.68 -0.80 120.40 123.19 1hbm s VAL 114 Ca 0.25 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1hbm s VAL 114 Cb -0.15 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1hbm s VAL 114 CO 0.10 0.38 -0.14 -1.10 0.00 0.00 0.00 175.10 174.34 1hbm s GLN 115 N 0.88 2.51 0.32 2.72 -0.21 0.37 -0.72 119.66 125.52 1hbm s GLN 115 Ca -0.10 -1.17 -0.28 0.00 0.02 0.00 0.00 55.36 53.84 1hbm s GLN 115 Cb -0.15 -2.78 -0.09 0.00 1.00 0.00 0.00 33.01 30.99 1hbm s GLN 115 CO 0.01 -0.44 1.09 0.08 -2.12 0.00 0.00 175.29 173.90 1hbm s VAL 116 N 1.17 3.54 0.44 1.09 1.01 -0.14 -2.14 120.40 125.36 1hbm s VAL 116 Ca -0.04 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.10 1hbm s VAL 116 Cb -0.18 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1hbm s VAL 116 CO -0.08 0.24 1.43 -0.81 0.00 0.00 0.00 175.10 175.88 1hbm n PRO 117 N 0.74 2.29 -0.05 2.72 -0.04 -1.26 -4.85 135.00 134.54 1hbm n PRO 117 Ca 0.01 0.81 0.13 0.00 -0.04 0.00 0.00 63.50 64.41 1hbm n PRO 117 Cb 0.46 -2.61 0.54 0.00 -0.04 0.00 0.00 33.50 31.85 1hbm n PRO 117 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1hbm h SER 118 N 2.37 0.29 0.16 3.54 0.02 -1.93 -2.57 113.55 115.44 1hbm h SER 118 Ca -0.50 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 1hbm h SER 118 Cb 1.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1hbm h SER 118 CO 0.61 0.18 -0.12 0.00 -1.14 0.00 0.00 176.83 176.36 1hbm h ALA 119 N 1.72 1.65 -0.47 3.77 0.00 -2.00 -1.36 119.26 122.57 1hbm h ALA 119 Ca 0.26 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1hbm h ALA 119 Cb 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1hbm h ALA 119 CO -0.06 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1hbm h ARG 120 N 0.00 0.78 0.00 0.00 3.08 -1.82 -3.12 114.38 113.29 1hbm h ARG 120 Ca -0.00 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 1hbm h ARG 120 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1hbm h ARG 120 CO 0.02 0.78 -0.30 0.74 -1.07 0.00 0.00 179.97 180.13 1hbm h PHE 121 N 0.73 0.00 0.00 3.04 -1.00 -1.40 -3.19 116.94 115.11 1hbm h PHE 121 Ca 0.14 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1hbm h PHE 121 Cb 0.44 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 1hbm h PHE 121 CO 0.02 0.30 -0.05 -0.44 -1.61 0.00 0.00 178.31 176.53 1hbm h ASP 122 N 0.00 0.00 -0.02 2.17 3.45 -1.31 -2.48 116.42 118.23 1hbm h ASP 122 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1hbm h ASP 122 Cb 1.20 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1hbm h ASP 122 CO 0.04 0.05 -0.47 0.55 -1.57 0.00 0.00 179.24 177.85 1hbm n VAL 123 N -3.52 2.22 -4.41 -1.35 3.14 -1.22 -5.04 118.33 108.15 1hbm n VAL 123 Ca -0.02 -3.20 -0.26 0.00 -2.96 0.00 0.00 64.34 57.90 1hbm n VAL 123 Cb 0.17 -0.24 -0.11 0.00 -1.06 0.00 0.00 33.84 32.60 1hbm n VAL 123 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hbm s ALA 124 N -3.23 2.66 0.10 1.55 0.00 -0.94 -5.04 121.76 116.86 1hbm s ALA 124 Ca 0.38 -1.68 0.10 0.00 0.00 0.00 0.00 51.96 50.76 1hbm s ALA 124 Cb 0.37 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1hbm s ALA 124 CO -0.06 0.39 1.41 0.00 0.00 0.00 0.00 175.76 177.50 1hbm h ALA 125 N 2.89 0.58 -3.00 0.00 0.00 -1.93 -3.49 119.26 114.31 1hbm h ALA 125 Ca -0.45 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1hbm h ALA 125 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1hbm h ALA 125 CO 0.52 0.98 0.00 -0.85 0.00 0.00 0.00 179.25 179.90 1hbm n GLU 126 N -3.42 0.00 0.00 0.00 -0.00 -1.26 -5.10 120.64 110.86 1hbm n GLU 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1hbm n GLU 126 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.24 1hbm n GLU 126 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1hbm n TYR 127 N 0.00 0.00 0.51 -1.84 0.18 -1.26 -4.76 117.16 109.99 1hbm n TYR 127 Ca 0.00 -0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.87 1hbm n TYR 127 Cb 0.00 -0.00 0.40 0.00 -0.38 0.00 0.00 39.34 39.36 1hbm n TYR 127 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1hbm n SER 128 N -0.00 0.27 -0.05 9.48 7.64 -1.26 -2.15 113.62 127.53 1hbm n SER 128 Ca 0.00 0.56 0.20 0.00 1.01 0.00 0.00 58.87 60.64 1hbm n SER 128 Cb 0.13 -0.62 0.66 0.00 -1.01 0.00 0.00 64.21 63.37 1hbm n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hbm h ALA 129 N 2.46 2.46 0.86 -0.43 0.00 -1.94 -2.07 119.26 120.61 1hbm h ALA 129 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1hbm h ALA 129 Cb 0.33 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hbm h ALA 129 CO 0.00 -0.64 -0.41 0.00 0.00 0.00 0.00 179.25 178.20 1hbm h ALA 130 N 1.70 -1.29 -0.72 0.00 0.00 -1.68 -0.09 119.26 117.17 1hbm h ALA 130 Ca 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hbm h ALA 130 Cb 1.06 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1hbm h ALA 130 CO -0.03 -1.20 0.41 -1.00 0.00 0.00 0.00 179.25 177.43 1hbm h PRO 131 N -1.18 1.00 -0.31 0.00 0.13 -1.79 -2.17 132.00 127.68 1hbm h PRO 131 Ca -0.12 -0.11 -0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1hbm h PRO 131 Cb 0.89 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1hbm h PRO 131 CO 0.19 0.73 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.30 1hbm h LEU 132 N 0.99 0.81 -0.27 1.56 3.38 -1.30 0.48 115.31 120.96 1hbm h LEU 132 Ca 0.26 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1hbm h LEU 132 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1hbm h LEU 132 CO -0.04 1.12 -0.02 0.58 0.09 0.00 0.00 178.44 180.17 1hbm h VAL 133 N 0.52 1.26 -0.25 1.22 2.07 -1.09 -2.24 116.25 117.75 1hbm h VAL 133 Ca 0.05 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1hbm h VAL 133 Cb 0.90 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1hbm h VAL 133 CO 0.08 0.31 0.14 0.74 0.02 0.00 0.00 177.57 178.86 1hbm h THR 134 N 0.27 1.03 -0.30 2.57 2.02 -1.35 -1.94 112.91 115.21 1hbm h THR 134 Ca 0.08 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1hbm h THR 134 Cb 0.45 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1hbm h THR 134 CO 0.02 0.05 0.18 0.00 0.37 0.00 0.00 175.52 176.14 1hbm h ALA 135 N 1.11 0.37 -0.39 6.16 0.00 -0.87 -1.83 119.26 123.80 1hbm h ALA 135 Ca 0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 135 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1hbm h ALA 135 CO -0.04 -0.19 -0.27 0.00 0.00 0.00 0.00 179.25 178.75 1hbm h THR 136 N 0.36 1.27 -0.47 0.00 1.03 -1.30 -0.16 112.91 113.65 1hbm h THR 136 Ca 0.12 -1.41 0.03 0.00 -0.01 0.00 0.00 66.41 65.13 1hbm h THR 136 Cb -0.01 1.26 -0.03 0.00 -1.07 0.00 0.00 68.15 68.30 1hbm h THR 136 CO -0.05 0.47 0.27 0.00 -0.01 0.00 0.00 175.52 176.20 1hbm h ALA 137 N 0.99 0.59 -0.25 0.00 0.00 -1.26 0.31 119.26 119.65 1hbm h ALA 137 Ca 0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1hbm h ALA 137 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1hbm h ALA 137 CO 0.07 -0.05 -0.43 0.74 0.00 0.00 0.00 179.25 179.58 1hbm h PHE 138 N 0.53 0.74 0.20 0.00 -1.00 -1.07 -0.08 116.94 116.26 1hbm h PHE 138 Ca 0.19 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1hbm h PHE 138 Cb 0.04 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 1hbm h PHE 138 CO -0.08 0.94 -0.12 0.28 -1.61 0.00 0.00 178.31 177.72 1hbm h VAL 139 N 0.50 0.76 -0.77 -0.55 2.07 -0.82 -1.50 116.25 115.93 1hbm h VAL 139 Ca 0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1hbm h VAL 139 Cb 0.95 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1hbm h VAL 139 CO 0.09 0.00 0.34 1.56 0.02 0.00 0.00 177.57 179.58 1hbm h GLN 140 N -0.30 1.13 -0.70 1.57 4.20 -0.87 -2.13 115.11 118.01 1hbm h GLN 140 Ca -0.02 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1hbm h GLN 140 Cb 0.25 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1hbm h GLN 140 CO 0.03 0.90 0.35 0.00 -0.67 0.00 0.00 178.83 179.43 1hbm h ALA 141 N 1.17 0.90 -0.37 3.87 0.00 -0.93 -0.47 119.26 123.44 1hbm h ALA 141 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1hbm h ALA 141 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hbm h ALA 141 CO -0.03 0.44 0.14 0.82 0.00 0.00 0.00 179.25 180.62 1hbm h ILE 142 N 0.96 1.20 -0.44 0.00 2.04 -1.12 -0.54 117.51 119.61 1hbm h ILE 142 Ca 0.24 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1hbm h ILE 142 Cb 0.09 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1hbm h ILE 142 CO -0.03 0.22 0.27 0.40 0.00 0.00 0.00 178.15 179.00 1hbm h ILE 143 N 0.45 1.07 -0.31 -0.67 2.04 -1.16 -2.51 117.51 116.42 1hbm h ILE 143 Ca 0.12 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1hbm h ILE 143 Cb 0.20 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1hbm h ILE 143 CO -0.01 0.10 -0.14 0.78 0.00 0.00 0.00 178.15 178.88 1hbm h ASN 144 N 0.55 0.52 -0.52 1.72 2.35 -0.97 0.11 115.58 119.34 1hbm h ASN 144 Ca 0.17 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1hbm h ASN 144 Cb -0.02 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1hbm h ASN 144 CO -0.07 0.69 0.14 -0.08 -1.65 0.00 0.00 177.43 176.47 1hbm h GLU 145 N 0.49 0.82 -0.22 0.81 4.57 -0.65 -3.17 114.58 117.23 1hbm h GLU 145 Ca 0.09 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1hbm h GLU 145 Cb 0.53 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1hbm h GLU 145 CO 0.03 0.78 0.00 1.19 -1.18 0.00 0.00 179.01 179.83 1hbm n PHE 146 N -4.45 0.28 -3.67 0.92 3.01 -1.09 -4.99 117.46 107.48 1hbm n PHE 146 Ca 0.02 -0.23 -0.22 0.00 1.01 0.00 0.00 57.45 58.03 1hbm n PHE 146 Cb 0.21 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.71 1hbm n PHE 146 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1hbm n ASP 147 N 0.83 -2.19 -4.75 4.37 2.03 -0.11 -4.92 116.55 111.82 1hbm n ASP 147 Ca 0.12 -0.84 -0.41 0.00 0.52 0.00 0.00 54.79 54.17 1hbm n ASP 147 Cb 0.42 -4.03 -0.02 0.00 -0.72 0.00 0.00 41.12 36.77 1hbm n ASP 147 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1hbm s VAL 148 N -3.63 2.78 0.81 5.18 1.01 -0.39 -4.97 120.40 121.19 1hbm s VAL 148 Ca 0.11 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1hbm s VAL 148 Cb -0.03 -3.44 0.08 0.00 0.00 0.00 0.00 36.38 32.99 1hbm s VAL 148 CO 0.82 0.12 1.11 -0.94 0.00 0.00 0.00 175.10 176.20 1hbm s SER 149 N 0.13 4.42 0.43 3.32 1.04 -1.26 -4.78 113.70 117.00 1hbm s SER 149 Ca 0.56 1.21 0.09 0.00 0.48 0.00 0.00 55.95 58.29 1hbm s SER 149 Cb -0.40 -1.92 0.93 0.00 0.10 0.00 0.00 66.02 64.73 1hbm s SER 149 CO 0.45 -2.00 2.06 -0.03 0.98 0.00 0.00 173.24 174.69 1hbm h MET 150 N -1.11 0.46 0.00 4.02 4.05 -2.01 -1.43 114.93 118.91 1hbm h MET 150 Ca -0.47 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 58.83 1hbm h MET 150 Cb 1.28 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 1hbm h MET 150 CO 0.60 0.30 -0.41 1.88 0.23 0.00 0.00 176.91 179.51 1hbm h TYR 151 N 0.47 0.00 0.00 1.39 -1.99 -2.02 -3.32 116.97 111.50 1hbm h TYR 151 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1hbm h TYR 151 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1hbm h TYR 151 CO -0.00 0.41 -0.74 -0.25 -0.00 0.00 0.00 178.16 177.58 1hbm n ASP 152 N -3.76 0.79 0.23 3.88 8.00 -0.85 -4.67 116.55 120.17 1hbm n ASP 152 Ca -0.01 -0.69 0.07 0.00 0.71 0.00 0.00 54.79 54.86 1hbm n ASP 152 Cb 0.48 1.08 0.53 0.00 -0.02 0.00 0.00 41.12 43.19 1hbm n ASP 152 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hbm h ALA 153 N 1.73 1.51 -0.00 2.24 0.00 -1.38 -1.47 119.26 121.90 1hbm h ALA 153 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1hbm h ALA 153 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1hbm h ALA 153 CO 0.00 0.26 0.01 -2.95 0.00 0.00 0.00 179.25 176.57 1hbm h ASN 154 N 0.00 0.00 -0.14 0.00 7.08 -1.83 -0.94 115.58 119.75 1hbm h ASN 154 Ca -0.00 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.08 1hbm h ASN 154 Cb 0.40 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.64 1hbm h ASN 154 CO 0.03 0.00 -0.41 0.24 -2.08 0.00 0.00 177.43 175.21 1hbm h MET 155 N 0.00 0.68 -0.18 4.14 2.86 -1.61 -2.06 114.93 118.76 1hbm h MET 155 Ca 0.00 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1hbm h MET 155 Cb 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1hbm h MET 155 CO -0.00 0.96 0.10 0.28 1.06 0.00 0.00 176.91 179.31 1hbm h VAL 156 N 0.56 1.09 -0.50 -2.22 2.07 -1.31 -0.94 116.25 115.00 1hbm h VAL 156 Ca 0.05 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.42 1hbm h VAL 156 Cb 0.94 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1hbm h VAL 156 CO 0.09 0.09 0.07 0.50 0.02 0.00 0.00 177.57 178.33 1hbm h LYS 157 N 0.20 0.19 -0.73 1.57 1.63 -1.46 -1.71 116.57 116.26 1hbm h LYS 157 Ca 0.06 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1hbm h LYS 157 Cb 0.05 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1hbm h LYS 157 CO -0.01 0.12 0.26 0.00 -3.45 0.00 0.00 179.45 176.37 1hbm h ALA 158 N 1.41 1.08 0.00 5.00 0.00 -1.10 -1.63 119.26 124.02 1hbm h ALA 158 Ca 0.25 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1hbm h ALA 158 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1hbm h ALA 158 CO -0.36 0.64 -0.38 0.00 0.00 0.00 0.00 179.25 179.15 1hbm h ALA 159 N 1.21 1.27 0.00 0.00 0.00 -0.69 -0.93 119.26 120.12 1hbm h ALA 159 Ca 0.24 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1hbm h ALA 159 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1hbm h ALA 159 CO -0.01 0.48 -0.41 0.28 0.00 0.00 0.00 179.25 179.58 1hbm h VAL 160 N 0.00 1.43 -0.01 0.00 2.07 -1.14 -3.31 116.25 115.29 1hbm h VAL 160 Ca -0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1hbm h VAL 160 Cb 0.72 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1hbm h VAL 160 CO 0.05 0.48 -0.02 -0.11 0.02 0.00 0.00 177.57 177.99 1hbm n LEU 161 N -4.56 1.54 0.00 2.57 7.94 -0.63 -1.03 117.00 122.83 1hbm n LEU 161 Ca -0.17 -0.96 0.00 0.00 -1.11 0.00 0.00 56.01 53.77 1hbm n LEU 161 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1hbm n LEU 161 CO 0.28 0.31 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 1hbm n GLY 162 N 0.48 0.10 0.35 -3.96 0.00 -0.35 -4.00 105.19 97.80 1hbm n GLY 162 Ca 0.04 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 45.07 1hbm n GLY 162 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hbm n ARG 163 N 5.65 1.48 -1.66 1.61 0.63 0.29 -4.59 116.66 120.06 1hbm n ARG 163 Ca 0.00 -0.69 -0.43 0.00 -0.92 0.00 0.00 57.85 55.81 1hbm n ARG 163 Cb 0.00 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.41 1hbm n ARG 163 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1hbm s TYR 164 N -1.98 1.26 0.00 -0.14 5.04 -1.26 -1.30 117.35 118.98 1hbm s TYR 164 Ca 0.39 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1hbm s TYR 164 Cb 0.20 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.51 1hbm s TYR 164 CO 0.33 -4.24 0.61 -0.35 -1.34 0.00 0.00 175.55 170.56 1hbm n PRO 165 N 8.48 0.74 -0.09 4.97 -0.04 -1.26 -4.90 135.00 142.91 1hbm n PRO 165 Ca 0.27 -0.79 -0.11 0.00 -0.04 0.00 0.00 63.50 62.83 1hbm n PRO 165 Cb 0.44 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 33.01 1hbm n PRO 165 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1hbm h GLN 166 N 0.00 0.44 -6.77 0.54 5.75 -1.57 -3.41 115.11 110.10 1hbm h GLN 166 Ca 0.00 -0.12 -0.49 0.00 -0.15 0.00 0.00 58.65 57.89 1hbm h GLN 166 Cb 0.40 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1hbm h GLN 166 CO 0.00 0.58 0.14 -1.54 -2.65 0.00 0.00 178.83 175.36 1hbm s SER 167 N -5.89 6.84 0.18 -0.69 1.04 -1.03 -5.00 113.70 109.14 1hbm s SER 167 Ca -0.14 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 57.56 1hbm s SER 167 Cb 0.08 -2.41 0.06 0.00 0.10 0.00 0.00 66.02 63.86 1hbm s SER 167 CO 0.74 -0.20 1.65 0.58 0.98 0.00 0.00 173.24 176.99 1hbm h VAL 168 N 2.04 1.26 -3.10 5.02 2.07 -1.92 -3.39 116.25 118.23 1hbm h VAL 168 Ca -0.48 -1.09 -0.45 0.00 0.82 0.00 0.00 66.70 65.50 1hbm h VAL 168 Cb 1.18 0.78 0.09 0.00 -1.52 0.00 0.00 31.29 31.81 1hbm h VAL 168 CO 0.65 0.40 0.17 -1.61 0.02 0.00 0.00 177.57 177.20 1hbm s GLU 169 N -5.10 1.90 -1.38 1.57 2.02 -1.26 -4.98 118.70 111.47 1hbm s GLU 169 Ca -0.12 -0.62 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 1hbm s GLU 169 Cb 0.13 -2.23 0.09 0.00 0.10 0.00 0.00 34.13 32.23 1hbm s GLU 169 CO 0.85 -1.36 2.11 0.66 0.02 0.00 0.00 175.26 177.53 1hbm n TYR 170 N -2.90 3.20 -2.43 1.61 0.53 -1.26 -4.02 117.16 111.88 1hbm n TYR 170 Ca 0.11 -2.89 -0.43 0.00 -1.02 0.00 0.00 57.90 53.67 1hbm n TYR 170 Cb 0.60 -2.27 -0.02 0.00 -1.03 0.00 0.00 39.34 36.62 1hbm n TYR 170 CO 0.00 0.00 0.00 1.41 -1.02 0.00 0.00 176.86 177.25 1hbm s MET 171 N 1.82 4.05 0.00 -0.72 1.75 -1.26 -2.00 119.30 122.94 1hbm s MET 171 Ca 0.45 1.40 0.00 0.00 -1.25 0.00 0.00 55.69 56.29 1hbm s MET 171 Cb 0.12 -3.83 0.00 0.00 2.84 0.00 0.00 34.83 33.97 1hbm s MET 171 CO -0.05 -0.95 0.00 0.41 -0.65 0.00 0.00 175.02 173.78 1hbm n GLY 172 N 4.01 0.71 3.75 2.11 0.00 -1.26 -0.55 105.19 113.95 1hbm n GLY 172 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1hbm n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbm s ALA 173 N -2.34 2.28 -0.30 4.61 0.00 -0.84 -4.40 121.76 120.76 1hbm s ALA 173 Ca 0.00 0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.75 1hbm s ALA 173 Cb 0.00 -3.39 0.52 0.00 0.00 0.00 0.00 23.12 20.25 1hbm s ALA 173 CO 0.00 -1.59 1.51 0.09 0.00 0.00 0.00 175.76 175.77 1hbm n ASN 174 N -2.59 2.63 -4.27 0.00 3.02 -0.20 -4.93 115.26 108.91 1hbm n ASN 174 Ca 0.12 -3.75 -0.17 0.00 -0.03 0.00 0.00 54.58 50.75 1hbm n ASN 174 Cb 0.51 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 1hbm n ASN 174 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1hbm s ILE 175 N -3.24 1.38 -0.00 2.41 -4.36 -1.25 -1.27 121.20 114.86 1hbm s ILE 175 Ca 0.46 -1.97 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 1hbm s ILE 175 Cb 0.41 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 42.37 1hbm s ILE 175 CO 0.01 -0.59 0.31 0.00 0.24 0.00 0.00 174.94 174.92 1hbm s ALA 176 N -2.79 -0.78 0.15 2.27 0.00 -0.33 -4.99 121.76 115.29 1hbm s ALA 176 Ca 0.15 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1hbm s ALA 176 Cb -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1hbm s ALA 176 CO 0.03 -0.29 -0.05 0.95 0.00 0.00 0.00 175.76 176.41 1hbm s THR 177 N -1.53 0.83 0.15 0.00 -4.23 -1.26 -0.95 115.64 108.64 1hbm s THR 177 Ca -0.12 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.35 1hbm s THR 177 Cb -0.04 -1.93 -0.13 0.00 1.34 0.00 0.00 72.50 71.73 1hbm s THR 177 CO 0.03 -0.66 1.37 0.24 -0.54 0.00 0.00 174.62 175.06 1hbm h MET 178 N 2.79 0.52 -7.40 3.99 2.86 -1.87 -3.45 114.93 112.38 1hbm h MET 178 Ca -0.36 -0.45 -0.49 0.00 -2.06 0.00 0.00 59.70 56.34 1hbm h MET 178 Cb 1.19 0.10 0.10 0.00 0.06 0.00 0.00 31.60 33.05 1hbm h MET 178 CO 0.64 1.08 0.36 -0.51 1.06 0.00 0.00 176.91 179.53 1hbm s LEU 179 N -8.05 2.79 0.48 1.22 1.43 -1.26 -4.44 118.68 110.85 1hbm s LEU 179 Ca -0.07 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1hbm s LEU 179 Cb 0.10 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 1hbm s LEU 179 CO 0.86 -1.71 0.02 -0.62 0.23 0.00 0.00 176.35 175.13 1hbm s ASP 180 N -3.96 3.91 0.67 2.29 -1.08 -1.25 -5.05 116.67 112.20 1hbm s ASP 180 Ca 0.60 -1.62 -0.16 0.00 -0.52 0.00 0.00 52.55 50.84 1hbm s ASP 180 Cb -0.14 0.42 0.01 0.00 -1.46 0.00 0.00 42.92 41.75 1hbm s ASP 180 CO 0.54 -0.82 1.15 0.27 0.52 0.00 0.00 175.17 176.83 1hbm s ILE 181 N -2.91 2.88 0.47 4.11 -4.36 -1.26 -4.92 121.20 115.20 1hbm s ILE 181 Ca 0.11 0.44 0.16 0.00 -0.26 0.00 0.00 60.65 61.10 1hbm s ILE 181 Cb 0.03 -2.99 0.21 0.00 1.25 0.00 0.00 42.46 40.96 1hbm s ILE 181 CO 0.06 -0.23 2.04 1.55 0.24 0.00 0.00 174.94 178.61 1hbm h PRO 182 N 0.08 0.00 0.00 0.37 0.13 -2.00 -2.14 132.00 128.45 1hbm h PRO 182 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1hbm h PRO 182 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1hbm h PRO 182 CO 0.53 0.13 -0.09 1.96 -0.23 0.00 0.00 178.00 180.30 1hbm h GLN 183 N 0.00 0.00 -0.07 0.86 7.50 -1.99 -2.88 115.11 118.54 1hbm h GLN 183 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1hbm h GLN 183 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1hbm h GLN 183 CO 0.02 0.09 0.00 1.63 -1.50 0.00 0.00 178.83 179.06 1hbm n LYS 184 N -3.44 1.57 -1.73 1.46 5.02 -0.80 -4.88 118.16 115.37 1hbm n LYS 184 Ca -0.01 -0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 55.01 1hbm n LYS 184 Cb 0.24 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1hbm n LYS 184 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1hbm n LEU 185 N 0.04 4.10 0.17 -0.35 4.77 -1.09 -4.91 117.00 119.73 1hbm n LEU 185 Ca 0.18 1.13 0.03 0.00 -0.03 0.00 0.00 56.01 57.32 1hbm n LEU 185 Cb 0.30 -1.56 0.28 0.00 -2.33 0.00 0.00 43.42 40.10 1hbm n LEU 185 CO 0.15 0.07 0.62 -0.33 -1.33 0.00 0.00 177.39 176.56 1hbm h GLU 186 N 5.15 0.00 -3.11 3.23 4.39 -1.90 -3.46 114.58 118.89 1hbm h GLU 186 Ca -0.46 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.28 1hbm h GLU 186 Cb 1.23 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.81 1hbm h GLU 186 CO 0.82 0.45 0.17 0.20 -1.16 0.00 0.00 179.01 179.50 1hbm s GLY 187 N -4.39 -0.05 0.26 -3.84 0.00 -1.26 -5.10 107.32 92.93 1hbm s GLY 187 Ca -0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 44.72 44.10 1hbm s GLY 187 CO 0.71 -0.15 1.40 -1.05 0.00 0.00 0.00 173.10 174.01 1hbm n PRO 188 N -0.43 2.07 -0.38 2.90 -0.02 -1.26 -2.62 135.00 135.25 1hbm n PRO 188 Ca -0.05 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1hbm n PRO 188 Cb 0.60 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1hbm n PRO 188 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hbm n GLY 189 N 1.95 0.77 0.78 -1.23 0.00 -1.26 -4.79 105.19 101.41 1hbm n GLY 189 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1hbm n GLY 189 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hbm n TYR 190 N -2.24 0.28 -0.25 1.61 4.02 -1.08 -4.25 117.16 115.25 1hbm n TYR 190 Ca 0.00 -0.14 -0.06 0.00 -0.01 0.00 0.00 57.90 57.69 1hbm n TYR 190 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.39 1hbm n TYR 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hbm h ALA 191 N 4.27 1.02 0.00 -0.72 0.00 -1.93 -0.16 119.26 121.74 1hbm h ALA 191 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1hbm h ALA 191 Cb 0.69 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1hbm h ALA 191 CO 0.00 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1hbm n LEU 192 N -4.25 0.00 0.12 0.00 4.77 -1.26 -2.00 117.00 114.38 1hbm n LEU 192 Ca 0.06 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 1hbm n LEU 192 Cb 0.23 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 41.03 1hbm n LEU 192 CO 0.42 -0.18 0.42 0.03 -1.33 0.00 0.00 177.39 176.75 1hbm h ARG 193 N 0.00 0.00 -2.68 3.23 3.08 -1.30 -3.40 114.38 113.30 1hbm h ARG 193 Ca 0.00 0.00 -0.79 0.00 0.07 0.00 0.00 59.98 59.26 1hbm h ARG 193 Cb 0.26 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.07 1hbm h ARG 193 CO 0.00 0.00 1.29 -1.71 -1.07 0.00 0.00 179.97 178.48 1hbm n ASN 194 N -2.57 6.88 -3.82 7.04 5.15 -0.85 -1.73 115.26 125.37 1hbm n ASN 194 Ca 0.03 -3.44 -0.27 0.00 -0.60 0.00 0.00 54.58 50.29 1hbm n ASN 194 Cb 0.50 -1.27 -0.17 0.00 -0.53 0.00 0.00 39.78 38.31 1hbm n ASN 194 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1hbm s ILE 195 N -2.76 0.83 0.42 -1.44 1.01 -1.26 -3.82 121.20 114.18 1hbm s ILE 195 Ca 0.39 -0.55 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 1hbm s ILE 195 Cb 0.13 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.38 1hbm s ILE 195 CO -0.03 0.00 1.41 -0.32 0.00 0.00 0.00 174.94 176.01 1hbm s MET 196 N 1.74 3.84 0.21 2.79 1.75 -1.26 -4.67 119.30 123.70 1hbm s MET 196 Ca 0.00 2.40 -0.10 0.00 -1.25 0.00 0.00 55.69 56.74 1hbm s MET 196 Cb -0.16 -2.75 0.28 0.00 2.84 0.00 0.00 34.83 35.05 1hbm s MET 196 CO -0.07 -0.68 1.73 0.28 -0.65 0.00 0.00 175.02 175.63 1hbm h VAL 197 N 2.49 0.74 -0.69 10.11 2.07 -1.20 -1.27 116.25 128.49 1hbm h VAL 197 Ca -0.51 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.01 1hbm h VAL 197 Cb 1.26 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1hbm h VAL 197 CO 0.62 0.07 0.46 0.78 0.02 0.00 0.00 177.57 179.52 1hbm h ASN 198 N 0.37 0.41 -0.66 0.57 2.35 -1.38 -1.56 115.58 115.67 1hbm h ASN 198 Ca 0.31 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 1hbm h ASN 198 Cb 0.40 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1hbm h ASN 198 CO -0.33 0.23 0.11 0.45 -1.65 0.00 0.00 177.43 176.24 1hbm h HIS 199 N 0.44 1.17 -0.15 1.19 3.86 -1.53 -0.35 115.15 119.78 1hbm h HIS 199 Ca 0.33 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1hbm h HIS 199 Cb 0.67 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1hbm h HIS 199 CO -0.00 0.98 0.07 0.28 0.86 0.00 0.00 177.93 180.11 1hbm h VAL 200 N 1.02 1.14 -0.91 2.45 2.07 -1.07 -1.69 116.25 119.26 1hbm h VAL 200 Ca 0.20 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1hbm h VAL 200 Cb 0.44 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1hbm h VAL 200 CO 0.01 0.13 0.55 0.58 0.02 0.00 0.00 177.57 178.86 1hbm h VAL 201 N 0.10 1.25 -0.29 2.57 2.07 -1.30 -2.48 116.25 118.18 1hbm h VAL 201 Ca 0.05 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1hbm h VAL 201 Cb 0.15 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1hbm h VAL 201 CO -0.01 0.26 0.05 0.00 0.02 0.00 0.00 177.57 177.90 1hbm h ALA 202 N 1.30 0.38 -0.48 1.67 0.00 -0.95 -2.25 119.26 118.94 1hbm h ALA 202 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hbm h ALA 202 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1hbm h ALA 202 CO -0.06 0.07 0.29 0.00 0.00 0.00 0.00 179.25 179.54 1hbm h ALA 203 N 0.88 1.60 -0.49 0.00 0.00 -1.17 -2.77 119.26 117.31 1hbm h ALA 203 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hbm h ALA 203 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1hbm h ALA 203 CO 0.00 0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.85 1hbm n THR 204 N -4.44 0.66 -2.95 0.00 -2.24 -0.94 -4.15 114.28 100.21 1hbm n THR 204 Ca 0.04 -0.69 -0.22 0.00 -2.27 0.00 0.00 64.05 60.91 1hbm n THR 204 Cb 0.08 0.42 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1hbm n THR 204 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1hbm n LEU 205 N 1.05 -2.43 -1.21 3.22 4.77 -0.96 -1.89 117.00 119.55 1hbm n LEU 205 Ca 0.18 -0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 1hbm n LEU 205 Cb 0.46 -2.88 -0.07 0.00 -2.33 0.00 0.00 43.42 38.60 1hbm n LEU 205 CO 0.13 0.15 -0.15 0.29 -1.33 0.00 0.00 177.39 176.48 1hbm n LYS 206 N -3.83 -1.25 -2.29 3.23 5.02 -0.89 -4.96 118.16 113.18 1hbm n LYS 206 Ca -0.13 1.05 -0.43 0.00 -2.02 0.00 0.00 58.31 56.78 1hbm n LYS 206 Cb 0.62 -5.29 -0.02 0.00 -0.02 0.00 0.00 35.03 30.32 1hbm n LYS 206 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1hbm s ASN 207 N -2.74 6.40 0.17 4.39 3.84 -0.79 -4.69 114.94 121.51 1hbm s ASN 207 Ca 0.00 1.15 -0.15 0.00 0.21 0.00 0.00 52.86 54.07 1hbm s ASN 207 Cb 0.00 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.26 1hbm s ASN 207 CO 0.00 -1.32 1.75 0.74 -2.79 0.00 0.00 177.10 175.49 1hbm h THR 208 N 6.28 0.88 -0.33 -5.21 2.02 -1.90 -0.47 112.91 114.19 1hbm h THR 208 Ca -0.29 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 1hbm h THR 208 Cb 1.12 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1hbm h THR 208 CO 1.05 0.06 -0.34 -0.07 0.37 0.00 0.00 175.52 176.58 1hbm h LEU 209 N 0.31 0.77 -0.54 2.58 3.38 -1.94 -1.52 115.31 118.35 1hbm h LEU 209 Ca 0.19 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1hbm h LEU 209 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1hbm h LEU 209 CO -0.19 1.04 0.05 1.56 0.09 0.00 0.00 178.44 180.99 1hbm h GLN 210 N 0.61 0.92 -0.48 1.13 1.08 -1.81 -0.51 115.11 116.05 1hbm h GLN 210 Ca 0.06 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 1hbm h GLN 210 Cb 0.87 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 1hbm h GLN 210 CO 0.08 0.91 0.18 0.00 -0.95 0.00 0.00 178.83 179.04 1hbm h ALA 211 N 0.97 0.63 -1.00 3.87 0.00 -1.02 0.02 119.26 122.73 1hbm h ALA 211 Ca 0.16 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1hbm h ALA 211 Cb 0.46 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1hbm h ALA 211 CO 0.02 0.25 0.65 0.00 0.00 0.00 0.00 179.25 180.17 1hbm h ALA 212 N 1.03 1.36 -0.17 0.00 0.00 -1.11 -1.97 119.26 118.40 1hbm h ALA 212 Ca 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1hbm h ALA 212 Cb 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1hbm h ALA 212 CO -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 1hbm h ALA 213 N 1.43 0.23 -0.40 0.00 0.00 -0.67 -1.40 119.26 118.44 1hbm h ALA 213 Ca 0.41 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1hbm h ALA 213 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1hbm h ALA 213 CO -0.13 -0.02 0.18 1.25 0.00 0.00 0.00 179.25 180.53 1hbm h LEU 214 N 0.02 0.26 -0.44 0.00 5.85 -0.90 -0.61 115.31 119.48 1hbm h LEU 214 Ca 0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1hbm h LEU 214 Cb 0.46 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1hbm h LEU 214 CO 0.02 0.19 0.29 -1.28 -0.34 0.00 0.00 178.44 177.31 1hbm h SER 215 N 0.38 0.52 -0.48 1.25 0.87 -1.32 -1.39 113.55 113.38 1hbm h SER 215 Ca 0.17 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1hbm h SER 215 Cb 0.10 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1hbm h SER 215 CO -0.14 0.39 0.04 0.74 -0.53 0.00 0.00 176.83 177.33 1hbm h THR 216 N 0.60 1.26 0.03 2.23 2.02 -0.96 -1.09 112.91 116.99 1hbm h THR 216 Ca 0.16 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.37 1hbm h THR 216 Cb -0.05 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1hbm h THR 216 CO -0.03 0.35 -0.11 0.40 0.37 0.00 0.00 175.52 176.50 1hbm h ILE 217 N 0.68 0.74 -0.16 3.11 2.04 -0.91 -0.06 117.51 122.94 1hbm h ILE 217 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1hbm h ILE 217 Cb 0.45 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1hbm h ILE 217 CO 0.02 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 178.19 1hbm h LEU 218 N -0.20 0.16 -0.04 1.44 3.38 -1.20 -1.09 115.31 117.76 1hbm h LEU 218 Ca 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1hbm h LEU 218 Cb 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1hbm h LEU 218 CO -0.09 0.12 0.02 -0.33 0.09 0.00 0.00 178.44 178.25 1hbm h GLU 219 N 0.20 0.07 -0.01 1.13 4.39 -1.06 -2.17 114.58 117.12 1hbm h GLU 219 Ca 0.06 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1hbm h GLU 219 Cb -0.01 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1hbm h GLU 219 CO -0.03 0.20 -0.56 1.96 -1.16 0.00 0.00 179.01 179.42 1hbm h GLN 220 N -0.09 0.02 -0.74 2.33 1.08 -1.03 -2.24 115.11 114.44 1hbm h GLN 220 Ca 0.01 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1hbm h GLN 220 Cb 0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1hbm h GLN 220 CO -0.00 0.58 0.26 1.15 -0.95 0.00 0.00 178.83 179.87 1hbm h THR 221 N 0.02 1.26 -0.92 -0.54 2.02 -1.16 -1.42 112.91 112.16 1hbm h THR 221 Ca -0.01 -0.86 0.13 0.00 0.77 0.00 0.00 66.41 66.44 1hbm h THR 221 Cb 1.00 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 1hbm h THR 221 CO 0.07 0.34 0.59 0.00 0.37 0.00 0.00 175.52 176.90 1hbm h ALA 222 N 1.13 1.70 -0.05 6.16 0.00 -1.14 -2.19 119.26 124.87 1hbm h ALA 222 Ca 0.24 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1hbm h ALA 222 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1hbm h ALA 222 CO -0.01 0.07 -0.25 0.52 0.00 0.00 0.00 179.25 179.58 1hbm h MET 223 N 0.82 0.08 -0.29 0.00 2.07 -0.66 0.61 114.93 117.57 1hbm h MET 223 Ca 0.45 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 58.02 1hbm h MET 223 Cb 0.58 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.29 1hbm h MET 223 CO -0.22 0.33 0.01 0.74 1.07 0.00 0.00 176.91 178.84 1hbm h PHE 224 N 0.07 0.54 -0.06 -0.22 -1.00 -1.11 -0.34 116.94 114.83 1hbm h PHE 224 Ca 0.01 -0.09 -0.08 0.00 2.81 0.00 0.00 57.97 60.62 1hbm h PHE 224 Cb 0.49 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1hbm h PHE 224 CO 0.00 0.63 -0.34 1.49 -1.61 0.00 0.00 178.31 178.49 1hbm h GLU 225 N 0.29 0.12 0.00 1.51 4.81 -0.94 -1.35 114.58 119.02 1hbm h GLU 225 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1hbm h GLU 225 Cb 0.41 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1hbm h GLU 225 CO 0.01 0.45 0.00 -1.33 -0.73 0.00 0.00 179.01 177.41 1hbm n MET 226 N -4.11 0.19 -0.61 1.92 2.81 0.12 -4.74 117.12 112.70 1hbm n MET 226 Ca -0.02 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1hbm n MET 226 Cb 0.40 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1hbm n MET 226 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hbm n GLY 227 N 0.39 1.01 0.17 3.03 0.00 -0.51 -4.91 105.19 104.37 1hbm n GLY 227 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1hbm n GLY 227 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hbm h ASP 228 N 0.00 0.45 -0.86 1.61 3.32 -1.33 -3.21 116.42 116.41 1hbm h ASP 228 Ca 0.00 -0.30 -0.44 0.00 0.02 0.00 0.00 57.03 56.31 1hbm h ASP 228 Cb 0.00 -0.13 -0.16 0.00 0.22 0.00 0.00 39.33 39.26 1hbm h ASP 228 CO 0.00 1.04 0.33 0.00 -1.72 0.00 0.00 179.24 178.89 1hbm n ALA 229 N -2.51 6.19 -2.81 3.45 0.00 -0.67 -4.60 120.51 119.57 1hbm n ALA 229 Ca -0.04 -2.68 -0.24 0.00 0.00 0.00 0.00 53.44 50.48 1hbm n ALA 229 Cb 0.71 -2.01 -0.16 0.00 0.00 0.00 0.00 19.45 17.99 1hbm n ALA 229 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hbm s VAL 230 N -1.98 1.26 0.00 0.00 1.01 -1.21 -4.26 120.40 115.21 1hbm s VAL 230 Ca 0.54 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1hbm s VAL 230 Cb 0.35 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1hbm s VAL 230 CO -0.16 0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1hbm n GLY 231 N 3.02 1.49 0.32 4.51 0.00 -1.26 -3.54 105.19 109.73 1hbm n GLY 231 Ca -0.17 -0.48 0.19 0.00 0.00 0.00 0.00 46.02 45.55 1hbm n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbm h ALA 232 N -0.35 1.35 -0.01 4.61 0.00 -1.96 -2.79 119.26 120.10 1hbm h ALA 232 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hbm h ALA 232 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hbm h ALA 232 CO 0.00 -0.07 -0.44 1.19 0.00 0.00 0.00 179.25 179.93 1hbm n PHE 233 N -3.47 0.00 -0.14 0.00 3.01 -1.23 -4.66 117.46 110.97 1hbm n PHE 233 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.36 1hbm n PHE 233 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1hbm n PHE 233 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1hbm h GLU 234 N 1.91 0.58 -0.63 -1.08 4.81 -1.67 -2.76 114.58 115.74 1hbm h GLU 234 Ca 0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1hbm h GLU 234 Cb 0.62 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1hbm h GLU 234 CO 0.00 0.42 0.13 -0.09 -0.73 0.00 0.00 179.01 178.75 1hbm h ARG 235 N 0.56 1.03 -0.60 1.92 2.43 -1.83 -1.75 114.38 116.14 1hbm h ARG 235 Ca 0.15 -0.26 0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1hbm h ARG 235 Cb -0.01 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.34 1hbm h ARG 235 CO -0.03 0.94 0.21 1.98 -1.51 0.00 0.00 179.97 181.56 1hbm h MET 236 N 0.94 0.38 -0.43 0.20 4.05 -1.81 -1.09 114.93 117.17 1hbm h MET 236 Ca 0.20 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.46 1hbm h MET 236 Cb 0.39 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1hbm h MET 236 CO 0.01 0.25 -0.26 0.45 0.23 0.00 0.00 176.91 177.58 1hbm h HIS 237 N 0.39 1.06 -0.43 1.39 3.86 -1.19 -1.69 115.15 118.54 1hbm h HIS 237 Ca 0.30 -0.27 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1hbm h HIS 237 Cb 0.38 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1hbm h HIS 237 CO -0.18 1.07 -0.06 -0.07 0.86 0.00 0.00 177.93 179.55 1hbm h LEU 238 N 0.78 0.80 -1.14 2.43 3.38 -0.94 -1.10 115.31 119.53 1hbm h LEU 238 Ca 0.09 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1hbm h LEU 238 Cb 0.83 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1hbm h LEU 238 CO 0.07 0.95 -0.13 -0.07 0.09 0.00 0.00 178.44 179.35 1hbm h LEU 239 N 0.63 0.43 -0.19 1.67 3.38 -1.19 -1.48 115.31 118.55 1hbm h LEU 239 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1hbm h LEU 239 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1hbm h LEU 239 CO 0.03 0.59 0.02 1.23 0.09 0.00 0.00 178.44 180.41 1hbm h GLY 240 N 0.91 0.35 0.50 0.83 0.00 -0.96 -0.60 103.07 104.10 1hbm h GLY 240 Ca 0.08 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.22 1hbm h GLY 240 CO 0.03 0.22 0.04 -2.00 0.00 0.00 0.00 176.54 174.83 1hbm h LEU 241 N 0.10 -0.07 0.37 3.11 5.85 -0.88 -0.50 115.31 123.28 1hbm h LEU 241 Ca 0.06 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1hbm h LEU 241 Cb 0.34 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1hbm h LEU 241 CO 0.01 0.00 -0.18 0.00 -0.34 0.00 0.00 178.44 177.93 1hbm h ALA 242 N 1.29 -0.49 0.10 1.25 0.00 -1.19 -1.87 119.26 118.36 1hbm h ALA 242 Ca 0.17 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1hbm h ALA 242 Cb 0.22 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1hbm h ALA 242 CO -0.26 -0.67 -1.38 1.88 0.00 0.00 0.00 179.25 178.82 1hbm h TYR 243 N -0.71 0.40 0.08 0.00 -1.99 -1.10 -2.06 116.97 111.59 1hbm h TYR 243 Ca -0.05 -0.29 -0.30 0.00 2.00 0.00 0.00 58.73 60.09 1hbm h TYR 243 Cb 0.49 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 1hbm h TYR 243 CO -0.00 1.29 -1.58 0.37 -0.00 0.00 0.00 178.16 178.24 1hbm h GLN 244 N 0.06 0.16 0.00 4.88 4.15 -1.23 -3.39 115.11 119.75 1hbm h GLN 244 Ca -0.18 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1hbm h GLN 244 Cb 1.97 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.77 1hbm h GLN 244 CO 0.17 0.96 -1.37 0.41 -1.93 0.00 0.00 178.83 177.06 1hbm n GLY 245 N 1.64 -0.40 0.51 2.39 0.00 -0.77 -4.62 105.19 103.94 1hbm n GLY 245 Ca -0.17 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1hbm n GLY 245 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hbm n MET 246 N -1.79 2.68 -3.91 1.61 2.81 -0.81 -3.85 117.12 113.86 1hbm n MET 246 Ca -0.02 -2.26 -0.27 0.00 -1.81 0.00 0.00 57.70 53.34 1hbm n MET 246 Cb 0.24 -1.43 0.01 0.00 -0.71 0.00 0.00 33.22 31.34 1hbm n MET 246 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1hbm n ASN 247 N -0.27 -2.20 -4.77 7.83 5.15 -1.18 -4.66 115.26 115.15 1hbm n ASN 247 Ca 0.13 -0.89 -0.39 0.00 -0.60 0.00 0.00 54.58 52.82 1hbm n ASN 247 Cb 0.56 -3.53 -0.01 0.00 -0.53 0.00 0.00 39.78 36.28 1hbm n ASN 247 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hbm s ALA 248 N -3.60 3.27 -1.67 5.20 0.00 -0.81 -2.03 121.76 122.12 1hbm s ALA 248 Ca 0.29 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1hbm s ALA 248 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1hbm s ALA 248 CO 0.86 -0.76 0.00 -0.25 0.00 0.00 0.00 175.76 175.60 1hbm n ASP 249 N 0.20 -5.34 -1.61 0.00 8.00 -0.18 -2.35 116.55 115.28 1hbm n ASP 249 Ca 0.03 0.39 -0.14 0.00 0.71 0.00 0.00 54.79 55.78 1hbm n ASP 249 Cb 0.44 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 37.11 1hbm n ASP 249 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hbm n ASN 250 N -1.17 -3.92 -0.03 -2.24 5.15 -0.86 -4.90 115.26 107.30 1hbm n ASN 250 Ca -0.16 0.32 -0.13 0.00 -0.60 0.00 0.00 54.58 54.01 1hbm n ASN 250 Cb 0.62 -3.55 -0.09 0.00 -0.53 0.00 0.00 39.78 36.23 1hbm n ASN 250 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1hbm h LEU 251 N 0.00 0.13 -0.03 1.20 5.85 -1.67 -0.20 115.31 120.60 1hbm h LEU 251 Ca -0.30 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 57.99 1hbm h LEU 251 Cb 1.00 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1hbm h LEU 251 CO 0.43 0.56 -0.24 0.58 -0.34 0.00 0.00 178.44 179.43 1hbm h VAL 252 N -0.29 0.44 -0.58 1.05 2.07 -1.81 -1.77 116.25 115.36 1hbm h VAL 252 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1hbm h VAL 252 Cb 0.52 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1hbm h VAL 252 CO 0.01 0.00 0.13 0.15 0.02 0.00 0.00 177.57 177.88 1hbm h PHE 253 N -0.36 0.21 -0.13 1.57 3.57 -1.87 -1.75 116.94 118.17 1hbm h PHE 253 Ca 0.07 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.43 1hbm h PHE 253 Cb 0.46 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1hbm h PHE 253 CO -0.29 -0.01 -0.63 -0.44 -2.23 0.00 0.00 178.31 174.70 1hbm h ASP 254 N 0.27 0.56 -0.76 0.41 3.32 -0.90 0.37 116.42 119.69 1hbm h ASP 254 Ca 0.30 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1hbm h ASP 254 Cb 0.43 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1hbm h ASP 254 CO -0.38 1.05 0.26 -0.07 -1.72 0.00 0.00 179.24 178.39 1hbm h LEU 255 N 0.36 1.08 -0.35 1.55 3.38 -1.12 -1.85 115.31 118.36 1hbm h LEU 255 Ca -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1hbm h LEU 255 Cb 1.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1hbm h LEU 255 CO 0.11 0.98 0.04 0.58 0.09 0.00 0.00 178.44 180.25 1hbm h VAL 256 N 1.11 1.25 -0.34 1.22 2.07 -1.10 -2.30 116.25 118.15 1hbm h VAL 256 Ca 0.25 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1hbm h VAL 256 Cb 0.27 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1hbm h VAL 256 CO -0.01 0.30 0.04 0.50 0.02 0.00 0.00 177.57 178.41 1hbm h LYS 257 N 0.43 0.14 0.00 1.57 3.64 -0.80 0.25 116.57 121.80 1hbm h LYS 257 Ca 0.10 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1hbm h LYS 257 Cb 0.39 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1hbm h LYS 257 CO 0.01 0.09 -0.19 0.00 -2.27 0.00 0.00 179.45 177.10 1hbm h ALA 258 N 1.27 1.23 -0.02 5.00 0.00 -1.30 -3.28 119.26 122.15 1hbm h ALA 258 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hbm h ALA 258 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hbm h ALA 258 CO -0.24 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1hbm n ASN 259 N -3.64 1.50 -0.18 0.00 3.02 -0.75 -4.76 115.26 110.45 1hbm n ASN 259 Ca -0.01 -1.29 -0.11 0.00 -0.03 0.00 0.00 54.58 53.14 1hbm n ASN 259 Cb 0.32 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.48 1hbm n ASN 259 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1hbm h GLY 260 N 0.87 1.11 1.05 7.41 0.00 -0.59 0.70 103.07 113.62 1hbm h GLY 260 Ca 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 47.33 46.25 1hbm h GLY 260 CO 0.00 0.85 -0.44 0.50 0.00 0.00 0.00 176.54 177.45 1hbm h LYS 261 N 0.89 0.78 0.00 4.80 1.79 -1.84 -3.40 116.57 119.59 1hbm h LYS 261 Ca 0.13 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1hbm h LYS 261 Cb 0.72 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1hbm h LYS 261 CO 0.06 1.10 0.00 0.39 -1.08 0.00 0.00 179.45 179.92 1hbm n GLU 262 N -4.13 0.00 -2.39 3.15 1.02 -1.25 -5.13 120.64 111.91 1hbm n GLU 262 Ca -0.04 -0.16 -0.25 0.00 -0.02 0.00 0.00 57.16 56.69 1hbm n GLU 262 Cb 0.56 -0.51 0.09 0.00 -0.02 0.00 0.00 31.44 31.57 1hbm n GLU 262 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1hbm s GLY 263 N -0.00 1.75 0.40 0.62 0.00 0.24 -5.11 107.32 105.22 1hbm s GLY 263 Ca 0.00 -1.33 0.06 0.00 0.00 0.00 0.00 44.72 43.44 1hbm s GLY 263 CO 0.00 -0.84 0.20 -0.51 0.00 0.00 0.00 173.10 171.95 1hbm s THR 264 N -3.20 0.30 0.19 0.90 -4.23 -1.26 -4.88 115.64 103.45 1hbm s THR 264 Ca 0.64 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1hbm s THR 264 Cb -0.08 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.51 1hbm s THR 264 CO 0.44 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 176.93 1hbm h VAL 265 N 1.85 1.18 -0.89 2.29 2.07 -1.95 -2.66 116.25 118.14 1hbm h VAL 265 Ca -0.30 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 66.92 1hbm h VAL 265 Cb 1.26 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1hbm h VAL 265 CO 0.46 0.18 0.54 1.23 0.02 0.00 0.00 177.57 180.00 1hbm h GLY 266 N 0.85 1.38 1.54 2.17 0.00 -1.97 -1.97 103.07 105.06 1hbm h GLY 266 Ca 0.23 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 1hbm h GLY 266 CO -0.04 0.19 -0.75 1.48 0.00 0.00 0.00 176.54 177.42 1hbm h SER 267 N 0.92 0.54 -0.56 0.19 4.64 -1.90 -2.25 113.55 115.12 1hbm h SER 267 Ca 0.41 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1hbm h SER 267 Cb 0.31 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1hbm h SER 267 CO -0.22 1.11 0.35 0.58 -0.87 0.00 0.00 176.83 177.77 1hbm h VAL 268 N 0.31 1.16 -0.06 0.95 2.07 -1.31 -2.16 116.25 117.20 1hbm h VAL 268 Ca -0.04 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1hbm h VAL 268 Cb 1.33 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1hbm h VAL 268 CO 0.13 0.16 -0.15 0.40 0.02 0.00 0.00 177.57 178.13 1hbm h ILE 269 N 0.76 0.61 -0.72 4.57 2.04 -1.17 -0.44 117.51 123.15 1hbm h ILE 269 Ca 0.20 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.11 1hbm h ILE 269 Cb -0.04 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1hbm h ILE 269 CO -0.04 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.54 1hbm h ALA 270 N 0.77 0.96 -0.68 1.87 0.00 -1.27 -0.61 119.26 120.31 1hbm h ALA 270 Ca 0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1hbm h ALA 270 Cb 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1hbm h ALA 270 CO -0.19 0.15 0.12 -0.44 0.00 0.00 0.00 179.25 178.89 1hbm h ASP 271 N 0.81 1.07 -0.45 0.00 3.32 -1.14 -2.08 116.42 117.94 1hbm h ASP 271 Ca 0.31 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1hbm h ASP 271 Cb 0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1hbm h ASP 271 CO -0.15 1.05 -0.03 0.25 -1.72 0.00 0.00 179.24 178.64 1hbm h LEU 272 N 1.05 0.80 -0.51 1.55 7.12 -0.43 -1.31 115.31 123.59 1hbm h LEU 272 Ca 0.21 -0.32 -0.01 0.00 0.13 0.00 0.00 57.88 57.88 1hbm h LEU 272 Cb 0.43 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1hbm h LEU 272 CO 0.01 0.94 0.26 0.58 -0.13 0.00 0.00 178.44 180.10 1hbm h VAL 273 N 0.65 1.18 -0.38 1.05 2.07 -1.06 0.31 116.25 120.08 1hbm h VAL 273 Ca 0.12 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1hbm h VAL 273 Cb 0.54 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1hbm h VAL 273 CO 0.03 0.20 0.17 -0.33 0.02 0.00 0.00 177.57 177.66 1hbm h GLU 274 N 0.67 0.35 -0.88 1.57 5.08 -1.29 -1.55 114.58 118.53 1hbm h GLU 274 Ca 0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1hbm h GLU 274 Cb 0.08 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1hbm h GLU 274 CO -0.03 0.23 0.49 -0.09 -1.00 0.00 0.00 179.01 178.62 1hbm h ARG 275 N 0.36 1.22 -0.60 2.33 9.65 -0.81 -1.33 114.38 125.20 1hbm h ARG 275 Ca 0.16 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.85 1hbm h ARG 275 Cb 0.09 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 1hbm h ARG 275 CO -0.13 0.88 0.12 0.00 2.80 0.00 0.00 179.97 183.65 1hbm h ALA 276 N 1.27 1.09 -0.18 2.80 0.00 -0.67 -1.47 119.26 122.10 1hbm h ALA 276 Ca 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1hbm h ALA 276 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hbm h ALA 276 CO -0.05 0.60 0.02 -0.07 0.00 0.00 0.00 179.25 179.75 1hbm h LEU 277 N 0.90 0.29 -1.06 0.00 3.38 -1.08 -0.50 115.31 117.24 1hbm h LEU 277 Ca 0.19 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1hbm h LEU 277 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1hbm h LEU 277 CO 0.00 0.49 0.63 -0.08 0.09 0.00 0.00 178.44 179.58 1hbm h GLU 278 N 0.07 1.20 -0.01 1.13 4.81 -1.01 -2.20 114.58 118.57 1hbm h GLU 278 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1hbm h GLU 278 Cb 0.34 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1hbm h GLU 278 CO 0.01 0.79 -0.02 -0.25 -0.73 0.00 0.00 179.01 178.80 1hbm n ASP 279 N -4.43 0.78 0.00 1.04 8.00 -0.57 -4.92 116.55 116.45 1hbm n ASP 279 Ca 0.13 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1hbm n ASP 279 Cb 0.08 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1hbm n ASP 279 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hbm n GLY 280 N 1.13 0.58 0.20 0.44 0.00 -0.83 -4.93 105.19 101.78 1hbm n GLY 280 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1hbm n GLY 280 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hbm h VAL 281 N 0.00 1.33 -2.78 1.61 2.07 -1.33 -3.45 116.25 113.70 1hbm h VAL 281 Ca 0.00 -2.09 -0.47 0.00 0.82 0.00 0.00 66.70 64.97 1hbm h VAL 281 Cb 0.00 2.07 -0.14 0.00 -1.52 0.00 0.00 31.29 31.70 1hbm h VAL 281 CO 0.00 0.64 -0.67 0.27 0.02 0.00 0.00 177.57 177.83 1hbm s ILE 282 N -3.65 1.53 0.08 4.57 -4.36 -1.15 -4.47 121.20 113.75 1hbm s ILE 282 Ca -0.08 -2.11 -0.22 0.00 -0.26 0.00 0.00 60.65 57.98 1hbm s ILE 282 Cb 0.10 -2.41 0.06 0.00 1.25 0.00 0.00 42.46 41.45 1hbm s ILE 282 CO 0.87 -0.32 0.54 -1.59 0.24 0.00 0.00 174.94 174.68 1hbm s LYS 283 N -3.75 1.11 0.09 0.37 -2.85 -0.86 -4.44 119.74 109.41 1hbm s LYS 283 Ca 0.29 -0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 54.62 1hbm s LYS 283 Cb 0.04 0.51 -0.08 0.00 -2.06 0.00 0.00 37.83 36.24 1hbm s LYS 283 CO 0.11 -0.43 1.53 0.08 0.10 0.00 0.00 175.35 176.74 1hbm s VAL 284 N -2.91 3.13 -0.17 1.79 1.01 -1.26 -0.75 120.40 121.24 1hbm s VAL 284 Ca -0.03 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1hbm s VAL 284 Cb -0.00 -3.45 -0.22 0.00 0.00 0.00 0.00 36.38 32.71 1hbm s VAL 284 CO -0.05 0.02 0.14 1.21 0.00 0.00 0.00 175.10 176.41 1hbm n GLU 285 N 4.82 0.69 -3.53 2.72 2.13 0.88 -4.83 120.64 123.52 1hbm n GLU 285 Ca 0.14 0.18 -0.17 0.00 0.66 0.00 0.00 57.16 57.96 1hbm n GLU 285 Cb 0.41 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.44 1hbm n GLU 285 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1hbm s LYS 286 N -2.54 1.02 -0.17 5.31 2.20 -1.11 -5.03 119.74 119.41 1hbm s LYS 286 Ca -0.22 0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.63 1hbm s LYS 286 Cb 0.08 0.48 -0.01 0.00 -1.51 0.00 0.00 37.83 36.86 1hbm s LYS 286 CO 0.73 -0.31 -0.09 -1.21 -0.36 0.00 0.00 175.35 174.11 1hbm s GLU 287 N -1.15 3.40 0.00 4.03 2.02 -1.26 -0.86 118.70 124.88 1hbm s GLU 287 Ca -0.10 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1hbm s GLU 287 Cb -0.00 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1hbm s GLU 287 CO 0.09 0.02 0.00 1.28 0.02 0.00 0.00 175.26 176.67 1hbm n LEU 288 N 4.11 0.00 -4.61 1.80 4.77 0.54 -4.98 117.00 118.63 1hbm n LEU 288 Ca -0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.37 1hbm n LEU 288 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1hbm n LEU 288 CO 0.30 -0.36 1.34 -0.89 -1.33 0.00 0.00 177.39 176.45 1hbm s THR 289 N 1.17 3.76 -1.61 -5.08 2.01 -1.26 -3.06 115.64 111.57 1hbm s THR 289 Ca 0.00 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 62.65 1hbm s THR 289 Cb 0.00 -3.94 0.12 0.00 0.01 0.00 0.00 72.50 68.69 1hbm s THR 289 CO 0.00 -0.54 0.85 0.47 -0.69 0.00 0.00 174.62 174.71 1hbm n ASP 290 N 9.04 -3.71 -3.66 3.53 10.43 -1.26 -4.95 116.55 125.96 1hbm n ASP 290 Ca 0.19 -0.91 -0.07 0.00 2.57 0.00 0.00 54.79 56.57 1hbm n ASP 290 Cb 0.47 -3.28 -0.08 0.00 1.84 0.00 0.00 41.12 40.07 1hbm n ASP 290 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1hbm s TYR 291 N -3.34 -0.94 -0.21 1.24 5.04 -1.17 -5.14 117.35 112.82 1hbm s TYR 291 Ca 0.65 1.81 -0.13 0.00 -2.44 0.00 0.00 57.07 56.95 1hbm s TYR 291 Cb -0.34 0.49 -0.05 0.00 0.35 0.00 0.00 41.96 42.42 1hbm s TYR 291 CO 0.88 -0.50 0.27 0.15 -1.34 0.00 0.00 175.55 175.01 1hbm s LYS 292 N 2.13 4.15 -0.30 4.97 1.02 -1.26 -0.34 119.74 130.11 1hbm s LYS 292 Ca -0.07 -0.02 -0.21 0.00 0.02 0.00 0.00 55.97 55.69 1hbm s LYS 292 Cb -0.09 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 1hbm s LYS 292 CO -0.16 0.07 0.68 0.08 -0.92 0.00 0.00 175.35 175.10 1hbm s VAL 293 N 1.00 4.90 0.28 3.17 1.01 -0.04 -4.80 120.40 125.92 1hbm s VAL 293 Ca 0.14 1.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.99 1hbm s VAL 293 Cb -0.14 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1hbm s VAL 293 CO 0.05 -0.15 0.66 -0.31 0.00 0.00 0.00 175.10 175.35 1hbm s TYR 294 N 2.71 3.40 0.26 5.22 1.51 -0.16 -0.08 117.35 130.21 1hbm s TYR 294 Ca 0.28 1.08 0.02 0.00 -1.01 0.00 0.00 57.07 57.43 1hbm s TYR 294 Cb -0.15 -2.42 -0.05 0.00 -0.11 0.00 0.00 41.96 39.23 1hbm s TYR 294 CO 0.11 0.17 0.08 0.20 -1.11 0.00 0.00 175.55 175.00 1hbm s GLY 295 N -2.29 1.76 -0.04 0.71 0.00 0.07 -4.50 107.32 103.03 1hbm s GLY 295 Ca 0.51 -1.88 -0.13 0.00 0.00 0.00 0.00 44.72 43.22 1hbm s GLY 295 CO 0.19 -1.64 0.28 -1.08 0.00 0.00 0.00 173.10 170.86 1hbm s THR 296 N -3.64 0.05 -1.98 0.90 -1.32 -1.26 -2.02 115.64 106.37 1hbm s THR 296 Ca 0.36 -0.39 0.26 0.00 -1.21 0.00 0.00 61.69 60.71 1hbm s THR 296 Cb 0.08 -0.54 0.28 0.00 -1.51 0.00 0.00 72.50 70.80 1hbm s THR 296 CO 0.13 -0.22 1.52 0.47 -2.21 0.00 0.00 174.62 174.31 1hbm n ASP 297 N 1.69 1.34 -3.38 8.08 8.00 -1.26 -4.70 116.55 126.31 1hbm n ASP 297 Ca -0.20 -1.14 -0.26 0.00 0.71 0.00 0.00 54.79 53.91 1hbm n ASP 297 Cb 0.56 0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.72 1hbm n ASP 297 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hbm s ASP 298 N -2.39 1.57 0.33 -2.24 -1.08 -1.26 -5.00 116.67 106.60 1hbm s ASP 298 Ca 0.26 -2.81 0.02 0.00 -0.52 0.00 0.00 52.55 49.50 1hbm s ASP 298 Cb 0.19 -0.30 0.60 0.00 -1.46 0.00 0.00 42.92 41.95 1hbm s ASP 298 CO 0.48 -0.19 1.98 -0.07 0.52 0.00 0.00 175.17 177.89 1hbm h LEU 299 N 5.90 0.79 -0.94 -1.34 3.38 -1.94 -1.77 115.31 119.40 1hbm h LEU 299 Ca 0.22 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1hbm h LEU 299 Cb 0.93 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1hbm h LEU 299 CO 0.33 0.55 0.12 0.00 0.09 0.00 0.00 178.44 179.53 1hbm h ALA 300 N 1.56 1.14 -0.10 1.53 0.00 -1.98 -0.59 119.26 120.83 1hbm h ALA 300 Ca 0.28 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1hbm h ALA 300 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1hbm h ALA 300 CO -0.08 0.58 -0.82 1.98 0.00 0.00 0.00 179.25 180.91 1hbm h MET 301 N 0.86 0.63 -0.50 0.00 1.85 -1.86 -1.92 114.93 113.99 1hbm h MET 301 Ca 0.18 -0.55 0.06 0.00 -0.61 0.00 0.00 59.70 58.78 1hbm h MET 301 Cb 0.34 0.13 -0.05 0.00 0.43 0.00 0.00 31.60 32.44 1hbm h MET 301 CO 0.00 1.17 0.21 2.35 -0.40 0.00 0.00 176.91 180.24 1hbm h TRP 302 N 0.41 0.38 -0.90 1.39 2.91 -1.16 -1.05 115.95 117.93 1hbm h TRP 302 Ca -0.06 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.01 1hbm h TRP 302 Cb 1.44 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.94 1hbm h TRP 302 CO 0.07 0.15 0.59 -0.97 -1.03 0.00 0.00 178.44 177.26 1hbm h ASN 303 N 0.41 1.00 -0.37 2.65 -1.24 -1.02 0.60 115.58 117.61 1hbm h ASN 303 Ca 0.23 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.12 1hbm h ASN 303 Cb 0.20 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1hbm h ASN 303 CO -0.20 0.70 -0.16 0.00 -1.29 0.00 0.00 177.43 176.48 1hbm h ALA 304 N 1.35 0.52 -0.29 1.57 0.00 -0.89 0.01 119.26 121.53 1hbm h ALA 304 Ca 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hbm h ALA 304 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1hbm h ALA 304 CO -0.10 0.44 0.14 1.88 0.00 0.00 0.00 179.25 181.61 1hbm h TYR 305 N 0.56 0.42 -0.82 0.00 -1.99 -0.94 -0.70 116.97 113.49 1hbm h TYR 305 Ca 0.08 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.81 1hbm h TYR 305 Cb 0.70 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.26 1hbm h TYR 305 CO 0.06 0.39 0.54 0.00 -0.00 0.00 0.00 178.16 179.15 1hbm h ALA 306 N 0.99 1.44 -0.29 3.88 0.00 -0.75 -1.87 119.26 122.66 1hbm h ALA 306 Ca 0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 306 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1hbm h ALA 306 CO -0.01 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 179.57 1hbm h ALA 307 N 1.50 1.16 -0.59 0.00 0.00 -0.70 -1.16 119.26 119.48 1hbm h ALA 307 Ca 0.31 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1hbm h ALA 307 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1hbm h ALA 307 CO -0.07 0.53 -0.00 0.00 0.00 0.00 0.00 179.25 179.71 1hbm h ALA 308 N 1.35 0.79 -0.68 0.00 0.00 -0.47 -2.06 119.26 118.20 1hbm h ALA 308 Ca 0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1hbm h ALA 308 Cb 0.58 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1hbm h ALA 308 CO 0.04 0.63 0.18 0.78 0.00 0.00 0.00 179.25 180.88 1hbm h GLY 309 N 0.93 1.15 0.71 0.00 0.00 -1.09 -1.43 103.07 103.34 1hbm h GLY 309 Ca 0.17 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 46.84 1hbm h GLY 309 CO 0.03 0.66 0.29 -2.00 0.00 0.00 0.00 176.54 175.52 1hbm h LEU 310 N 1.00 0.42 -0.24 3.11 5.85 -0.98 0.25 115.31 124.72 1hbm h LEU 310 Ca 0.21 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1hbm h LEU 310 Cb 0.34 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1hbm h LEU 310 CO -0.00 0.28 0.12 -0.03 -0.34 0.00 0.00 178.44 178.47 1hbm h MET 311 N 0.56 0.35 -0.69 1.25 4.05 -1.17 -2.15 114.93 117.12 1hbm h MET 311 Ca 0.25 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1hbm h MET 311 Cb 0.15 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 1hbm h MET 311 CO -0.16 0.34 0.27 0.00 0.23 0.00 0.00 176.91 177.59 1hbm h ALA 312 N 0.98 1.17 -0.58 0.39 0.00 -0.85 -1.73 119.26 118.65 1hbm h ALA 312 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1hbm h ALA 312 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1hbm h ALA 312 CO -0.01 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.09 1hbm h ALA 313 N 1.29 1.36 -0.35 0.00 0.00 -0.41 -0.39 119.26 120.75 1hbm h ALA 313 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1hbm h ALA 313 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1hbm h ALA 313 CO -0.02 0.49 0.12 1.15 0.00 0.00 0.00 179.25 180.99 1hbm h THR 314 N 0.82 1.21 -0.83 0.00 2.02 -0.91 0.39 112.91 115.60 1hbm h THR 314 Ca 0.20 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1hbm h THR 314 Cb 0.12 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1hbm h THR 314 CO -0.02 0.23 0.42 0.24 0.37 0.00 0.00 175.52 176.76 1hbm h MET 315 N 0.42 1.18 -0.17 6.66 2.86 -0.89 0.46 114.93 125.45 1hbm h MET 315 Ca 0.12 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1hbm h MET 315 Cb 0.24 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1hbm h MET 315 CO -0.00 0.89 -0.32 0.28 1.06 0.00 0.00 176.91 178.82 1hbm h VAL 316 N 1.17 1.35 0.08 -2.22 2.07 -0.97 -0.89 116.25 116.83 1hbm h VAL 316 Ca 0.29 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1hbm h VAL 316 Cb 0.09 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1hbm h VAL 316 CO -0.04 0.47 -0.04 -1.13 0.02 0.00 0.00 177.57 176.86 1hbm h ASN 317 N 0.14 -0.09 0.97 0.57 -1.24 -0.74 -2.33 115.58 112.86 1hbm h ASN 317 Ca 0.01 -0.49 -0.12 0.00 0.71 0.00 0.00 56.30 56.41 1hbm h ASN 317 Cb 0.91 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.97 1hbm h ASN 317 CO 0.07 0.59 -0.57 1.56 -1.29 0.00 0.00 177.43 177.79 1hbm h GLN 318 N -0.91 0.00 -0.37 6.67 7.50 -1.08 -2.85 115.11 124.07 1hbm h GLN 318 Ca -0.01 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.05 1hbm h GLN 318 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 1hbm h GLN 318 CO 0.02 0.57 -0.14 0.78 -1.50 0.00 0.00 178.83 178.55 1hbm h GLY 319 N 2.50 0.73 1.12 3.46 0.00 -1.20 -0.24 103.07 109.43 1hbm h GLY 319 Ca -0.01 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.62 1hbm h GLY 319 CO 0.07 0.51 -0.37 0.00 0.00 0.00 0.00 176.54 176.75 1hbm h ALA 320 N 1.23 0.57 0.00 3.60 0.00 -1.26 -2.58 119.26 120.83 1hbm h ALA 320 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1hbm h ALA 320 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hbm h ALA 320 CO 0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1hbm h ALA 321 N 0.77 1.00 -6.68 0.00 0.00 -1.43 -3.47 119.26 109.45 1hbm h ALA 321 Ca 0.06 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.44 1hbm h ALA 321 Cb 0.96 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.59 1hbm h ALA 321 CO 0.09 0.00 -0.85 0.54 0.00 0.00 0.00 179.25 179.03 1hbm n ARG 322 N -3.08 -3.18 -3.52 0.00 5.12 -0.12 -4.93 116.66 106.95 1hbm n ARG 322 Ca 0.02 0.38 -0.08 0.00 -1.93 0.00 0.00 57.85 56.23 1hbm n ARG 322 Cb 0.37 -4.89 -0.08 0.00 -1.16 0.00 0.00 32.46 26.70 1hbm n ARG 322 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hbm s ALA 323 N -3.52 -1.22 0.02 7.54 0.00 -1.12 -1.46 121.76 122.00 1hbm s ALA 323 Ca 0.50 1.34 0.27 0.00 0.00 0.00 0.00 51.96 54.08 1hbm s ALA 323 Cb -0.27 -1.50 0.98 0.00 0.00 0.00 0.00 23.12 22.33 1hbm s ALA 323 CO 0.92 -0.97 1.84 0.00 0.00 0.00 0.00 175.76 177.55 1hbm h ALA 324 N 8.16 0.99 -0.68 0.00 0.00 -1.84 -3.36 119.26 122.53 1hbm h ALA 324 Ca -0.17 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1hbm h ALA 324 Cb 1.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1hbm h ALA 324 CO 0.18 0.14 0.46 -0.56 0.00 0.00 0.00 179.25 179.46 1hbm h GLN 325 N 0.00 0.42 0.00 0.00 3.07 -1.97 -1.78 115.11 114.85 1hbm h GLN 325 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1hbm h GLN 325 Cb 0.72 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1hbm h GLN 325 CO 0.01 0.28 0.00 0.41 0.09 0.00 0.00 178.83 179.62 1hbm n GLY 326 N -1.52 -0.88 0.38 0.06 0.00 -1.26 -3.15 105.19 98.83 1hbm n GLY 326 Ca 0.12 -0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.16 1hbm n GLY 326 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hbm h VAL 327 N 0.00 0.68 -0.58 1.61 3.04 -1.62 -0.36 116.25 119.03 1hbm h VAL 327 Ca 0.00 -0.19 -0.05 0.00 -1.01 0.00 0.00 66.70 65.45 1hbm h VAL 327 Cb 0.06 0.07 -0.03 0.00 -2.01 0.00 0.00 31.29 29.38 1hbm h VAL 327 CO 0.00 0.10 0.16 0.77 -1.01 0.00 0.00 177.57 177.60 1hbm h SER 328 N 0.57 0.82 -0.24 3.17 4.64 -1.80 -0.95 113.55 119.75 1hbm h SER 328 Ca 0.52 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.64 1hbm h SER 328 Cb 1.07 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1hbm h SER 328 CO -0.27 0.78 -0.10 -1.28 -0.87 0.00 0.00 176.83 175.09 1hbm h SER 329 N 0.85 0.51 -0.16 4.97 0.87 -1.40 -2.98 113.55 116.21 1hbm h SER 329 Ca 0.19 -0.40 0.04 0.00 -1.23 0.00 0.00 61.79 60.39 1hbm h SER 329 Cb 0.27 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1hbm h SER 329 CO -0.01 0.80 -0.07 0.74 -0.53 0.00 0.00 176.83 177.76 1hbm h THR 330 N 0.23 0.76 -0.83 2.23 2.02 -0.93 0.66 112.91 117.04 1hbm h THR 330 Ca 0.06 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.41 1hbm h THR 330 Cb 0.60 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 1hbm h THR 330 CO 0.03 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.41 1hbm h LEU 331 N -0.05 0.41 0.12 2.58 3.38 -1.21 -1.08 115.31 119.45 1hbm h LEU 331 Ca 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1hbm h LEU 331 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1hbm h LEU 331 CO -0.20 0.19 -0.06 0.25 0.09 0.00 0.00 178.44 178.71 1hbm h LEU 332 N 0.43 -0.14 -0.08 1.67 6.46 -1.26 -3.38 115.31 119.01 1hbm h LEU 332 Ca 0.42 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.18 1hbm h LEU 332 Cb 0.99 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1hbm h LEU 332 CO -0.15 0.23 -0.05 1.88 -0.62 0.00 0.00 178.44 179.73 1hbm h TYR 333 N -0.81 0.00 -0.24 1.25 -1.99 -0.79 -1.54 116.97 112.85 1hbm h TYR 333 Ca -0.02 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.76 1hbm h TYR 333 Cb 0.12 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.80 1hbm h TYR 333 CO 0.01 0.05 -0.08 -0.92 -0.00 0.00 0.00 178.16 177.21 1hbm h TYR 334 N 0.00 -0.19 -0.33 4.88 3.20 -1.40 0.33 116.97 123.46 1hbm h TYR 334 Ca -0.00 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.74 1hbm h TYR 334 Cb 1.01 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 1hbm h TYR 334 CO 0.00 -0.14 -0.39 -0.91 -1.64 0.00 0.00 178.16 175.08 1hbm h ASN 335 N -0.04 0.91 -0.04 -2.11 2.35 -1.65 -1.69 115.58 113.31 1hbm h ASN 335 Ca 0.12 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1hbm h ASN 335 Cb 0.22 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1hbm h ASN 335 CO -0.27 1.21 0.02 -0.78 -1.65 0.00 0.00 177.43 175.96 1hbm h ASP 336 N 0.63 0.05 -0.77 5.81 3.58 -1.18 -2.43 116.42 122.10 1hbm h ASP 336 Ca 0.04 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 1hbm h ASP 336 Cb 0.98 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 1hbm h ASP 336 CO 0.09 0.16 0.28 -0.07 -2.88 0.00 0.00 179.24 176.83 1hbm h LEU 337 N -0.07 1.09 -0.94 2.28 3.38 -1.00 -3.06 115.31 116.99 1hbm h LEU 337 Ca 0.01 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1hbm h LEU 337 Cb 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1hbm h LEU 337 CO -0.00 0.99 -0.52 -0.29 0.09 0.00 0.00 178.44 178.71 1hbm h ILE 338 N 1.14 1.37 -0.48 1.22 2.10 -1.14 0.28 117.51 122.00 1hbm h ILE 338 Ca 0.26 -1.78 -0.02 0.00 1.08 0.00 0.00 64.86 64.40 1hbm h ILE 338 Cb 0.26 1.95 -0.02 0.00 -1.09 0.00 0.00 36.82 37.91 1hbm h ILE 338 CO -0.02 0.51 0.23 -0.33 -1.08 0.00 0.00 178.15 177.47 1hbm h GLU 339 N 0.02 0.69 0.00 2.19 5.08 -1.36 -2.61 114.58 118.60 1hbm h GLU 339 Ca -0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1hbm h GLU 339 Cb 0.93 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1hbm h GLU 339 CO 0.07 0.58 -0.07 0.74 -1.00 0.00 0.00 179.01 179.33 1hbm h PHE 340 N 0.63 0.00 0.00 4.33 -1.00 -1.36 -0.05 116.94 119.49 1hbm h PHE 340 Ca 0.16 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.88 1hbm h PHE 340 Cb 0.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1hbm h PHE 340 CO -0.01 0.00 -0.29 1.49 -1.61 0.00 0.00 178.31 177.89 1hbm h GLU 341 N 0.00 0.00 0.00 1.51 4.57 -0.81 -3.40 114.58 116.45 1hbm h GLU 341 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1hbm h GLU 341 Cb 1.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1hbm h GLU 341 CO 0.00 0.29 -0.59 0.25 -1.18 0.00 0.00 179.01 177.78 1hbm n THR 342 N -4.18 0.00 -0.95 0.32 -2.24 -1.00 -4.96 114.28 101.28 1hbm n THR 342 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1hbm n THR 342 Cb 0.34 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1hbm n THR 342 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hbm n GLY 343 N 1.94 0.50 3.68 3.38 0.00 -0.04 -0.98 105.19 113.66 1hbm n GLY 343 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1hbm n GLY 343 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hbm s LEU 344 N 0.00 3.36 0.50 0.99 1.43 -1.26 -4.82 118.68 118.88 1hbm s LEU 344 Ca 0.00 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.50 1hbm s LEU 344 Cb 0.00 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1hbm s LEU 344 CO 0.00 0.08 1.19 -2.16 0.23 0.00 0.00 176.35 175.69 1hbm s PRO 345 N -3.03 3.54 0.82 1.29 0.04 -1.26 -4.28 135.00 132.12 1hbm s PRO 345 Ca 0.28 1.82 -0.14 0.00 0.04 0.00 0.00 61.00 63.00 1hbm s PRO 345 Cb -0.09 -2.28 0.19 0.00 0.04 0.00 0.00 34.50 32.36 1hbm s PRO 345 CO 0.19 -0.75 1.02 -1.13 0.04 0.00 0.00 177.00 176.37 1hbm n SER 346 N -0.79 -0.33 -4.73 6.66 3.41 -1.26 -4.85 113.62 111.72 1hbm n SER 346 Ca 0.09 -1.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.97 1hbm n SER 346 Cb 0.48 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1hbm n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hbm s VAL 347 N -3.16 2.48 -1.55 -3.33 1.01 -1.26 -1.77 120.40 112.82 1hbm s VAL 347 Ca 0.59 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 1hbm s VAL 347 Cb -0.02 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1hbm s VAL 347 CO 0.42 0.04 0.02 -0.67 0.00 0.00 0.00 175.10 174.91 1hbm n ASP 348 N 3.28 -5.29 -3.92 3.32 2.03 -1.26 -3.20 116.55 111.50 1hbm n ASP 348 Ca 0.11 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 55.11 1hbm n ASP 348 Cb 0.38 -4.36 0.02 0.00 -0.72 0.00 0.00 41.12 36.44 1hbm n ASP 348 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1hbm n PHE 349 N -4.03 -2.09 0.00 -0.67 3.01 -0.73 -1.38 117.46 111.58 1hbm n PHE 349 Ca -0.21 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.11 1hbm n PHE 349 Cb 0.66 -3.90 0.00 0.00 -0.01 0.00 0.00 39.48 36.23 1hbm n PHE 349 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hbm n GLY 350 N -1.66 3.15 0.13 1.37 0.00 -1.22 -4.90 105.19 102.06 1hbm n GLY 350 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1hbm n GLY 350 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hbm h LYS 351 N 2.60 0.00 -0.30 1.61 1.57 -1.31 -0.60 116.57 120.14 1hbm h LYS 351 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1hbm h LYS 351 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1hbm h LYS 351 CO 0.00 0.64 -0.04 0.28 -0.57 0.00 0.00 179.45 179.75 1hbm h VAL 352 N 0.00 1.27 -0.47 0.50 2.07 -1.77 -1.34 116.25 116.51 1hbm h VAL 352 Ca -0.01 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1hbm h VAL 352 Cb 1.24 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 1hbm h VAL 352 CO 0.08 0.34 0.20 -0.08 0.02 0.00 0.00 177.57 178.13 1hbm h GLU 353 N 0.34 0.39 -0.09 1.57 4.81 -1.62 0.13 114.58 120.12 1hbm h GLU 353 Ca 0.08 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1hbm h GLU 353 Cb 0.51 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1hbm h GLU 353 CO 0.02 0.26 0.04 0.78 -0.73 0.00 0.00 179.01 179.38 1hbm h GLY 354 N 0.41 0.13 0.22 1.92 0.00 -1.12 -1.44 103.07 103.19 1hbm h GLY 354 Ca 0.21 -0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.57 1hbm h GLY 354 CO -0.18 0.07 0.07 -0.84 0.00 0.00 0.00 176.54 175.66 1hbm h THR 355 N 0.01 0.65 -0.44 4.70 2.02 -0.80 -2.34 112.91 116.71 1hbm h THR 355 Ca 0.03 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1hbm h THR 355 Cb 0.13 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1hbm h THR 355 CO -0.00 0.04 0.15 0.00 0.37 0.00 0.00 175.52 176.07 1hbm h ALA 356 N 1.44 1.44 -0.19 6.16 0.00 -0.50 -0.08 119.26 127.54 1hbm h ALA 356 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hbm h ALA 356 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hbm h ALA 356 CO -0.39 0.42 0.12 0.28 0.00 0.00 0.00 179.25 179.68 1hbm h VAL 357 N 0.63 1.04 -0.03 0.00 2.07 -0.73 0.36 116.25 119.58 1hbm h VAL 357 Ca 0.15 -0.08 -0.21 0.00 0.82 0.00 0.00 66.70 67.37 1hbm h VAL 357 Cb 0.17 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1hbm h VAL 357 CO -0.01 0.04 -0.87 1.23 0.02 0.00 0.00 177.57 177.99 1hbm h GLY 358 N 0.24 0.49 1.00 2.17 0.00 -1.28 -2.46 103.07 103.24 1hbm h GLY 358 Ca 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 1hbm h GLY 358 CO -0.02 0.70 0.34 -2.75 0.00 0.00 0.00 176.54 174.81 1hbm h PHE 359 N 0.27 0.96 0.28 5.60 -0.00 -0.96 0.62 116.94 123.70 1hbm h PHE 359 Ca -0.06 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 57.87 1hbm h PHE 359 Cb 1.48 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 37.12 1hbm h PHE 359 CO 0.06 0.70 -0.25 0.77 -0.00 0.00 0.00 178.31 179.59 1hbm h SER 360 N 0.93 -0.66 -0.37 0.41 0.02 -0.87 -0.76 113.55 112.25 1hbm h SER 360 Ca 0.23 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1hbm h SER 360 Cb 0.09 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 1hbm h SER 360 CO -0.03 -0.37 -0.01 0.15 -1.14 0.00 0.00 176.83 175.43 1hbm h PHE 361 N -0.55 -0.04 -0.16 3.45 3.57 -1.17 -2.26 116.94 119.78 1hbm h PHE 361 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1hbm h PHE 361 Cb 0.50 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1hbm h PHE 361 CO -0.15 -0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.04 1hbm n PHE 362 N -5.19 0.37 -0.18 0.41 3.01 0.19 -2.35 117.46 113.71 1hbm n PHE 362 Ca 0.02 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1hbm n PHE 362 Cb 0.19 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1hbm n PHE 362 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1hbm n SER 363 N 0.09 1.54 -1.11 4.37 3.41 -0.31 -1.94 113.62 119.66 1hbm n SER 363 Ca 0.06 -1.73 0.02 0.00 -0.26 0.00 0.00 58.87 56.97 1hbm n SER 363 Cb 0.30 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1hbm n SER 363 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1hbm n HIS 364 N -0.36 0.00 -4.19 7.33 8.25 -0.96 -4.85 115.22 120.44 1hbm n HIS 364 Ca 0.00 -0.31 -0.17 0.00 -0.26 0.00 0.00 57.72 56.97 1hbm n HIS 364 Cb 0.27 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 1hbm n HIS 364 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hbm s SER 365 N -1.59 1.37 0.06 0.41 1.04 -0.99 -4.99 113.70 109.01 1hbm s SER 365 Ca 0.21 -1.65 0.26 0.00 0.48 0.00 0.00 55.95 55.24 1hbm s SER 365 Cb 0.24 0.61 0.72 0.00 0.10 0.00 0.00 66.02 67.69 1hbm s SER 365 CO -0.10 -1.19 1.60 2.30 0.98 0.00 0.00 173.24 176.83 1hbm n ILE 366 N -0.61 0.18 0.32 -1.02 -5.35 -1.26 -4.50 119.36 107.13 1hbm n ILE 366 Ca 0.05 -0.11 0.12 0.00 -0.27 0.00 0.00 62.75 62.53 1hbm n ILE 366 Cb 0.62 -0.19 0.12 0.00 -1.74 0.00 0.00 39.64 38.45 1hbm n ILE 366 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1hbm h TYR 367 N 0.00 0.00 0.00 4.28 -1.99 -1.96 -3.49 116.97 113.81 1hbm h TYR 367 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1hbm h TYR 367 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1hbm h TYR 367 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1hbm n GLY 368 N 1.23 -0.50 7.00 3.88 0.00 -1.26 -5.14 105.19 110.40 1hbm n GLY 368 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1hbm n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbm n GLY 369 N 0.00 2.75 0.00 -0.02 0.00 -1.25 -4.69 105.19 101.97 1hbm n GLY 369 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1hbm n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbm n GLY 370 N 0.00 0.27 3.75 -0.02 0.00 -0.82 -5.04 105.19 103.33 1hbm n GLY 370 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1hbm n GLY 370 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hbm s GLY 371 N 0.00 1.58 0.39 -0.02 0.00 -1.26 -4.26 107.32 103.75 1hbm s GLY 371 Ca 0.00 -0.42 0.11 0.00 0.00 0.00 0.00 44.72 44.40 1hbm s GLY 371 CO 0.00 0.14 1.92 -2.55 0.00 0.00 0.00 173.10 172.61 1hbm h PRO 372 N -1.58 0.58 0.00 2.90 0.11 -1.93 -2.87 132.00 129.21 1hbm h PRO 372 Ca -0.51 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1hbm h PRO 372 Cb 1.32 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hbm h PRO 372 CO 0.60 0.39 -0.01 0.78 -0.21 0.00 0.00 178.00 179.55 1hbm h GLY 373 N 0.60 0.00 0.22 -0.55 0.00 -1.92 -2.95 103.07 98.47 1hbm h GLY 373 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1hbm h GLY 373 CO -0.14 0.00 -0.21 0.29 0.00 0.00 0.00 176.54 176.48 1hbm n ILE 374 N -3.11 0.00 -2.06 2.60 -6.64 -1.08 -1.07 119.36 108.00 1hbm n ILE 374 Ca -0.01 -0.14 -0.28 0.00 -1.77 0.00 0.00 62.75 60.56 1hbm n ILE 374 Cb 0.23 0.36 0.12 0.00 -1.44 0.00 0.00 39.64 38.91 1hbm n ILE 374 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1hbm s PHE 375 N -2.44 2.39 -0.10 4.28 0.40 -1.12 -4.76 117.98 116.63 1hbm s PHE 375 Ca 0.26 0.43 -0.32 0.00 -0.60 0.00 0.00 56.93 56.70 1hbm s PHE 375 Cb 0.19 -3.56 0.12 0.00 0.51 0.00 0.00 43.02 40.29 1hbm s PHE 375 CO 0.49 -1.94 1.17 0.54 0.70 0.00 0.00 175.22 176.19 1hbm s ASN 376 N -4.67 -0.15 0.43 1.36 2.20 -1.26 -1.34 114.94 111.51 1hbm s ASN 376 Ca 0.66 -0.06 0.30 0.00 -0.94 0.00 0.00 52.86 52.81 1hbm s ASN 376 Cb -0.08 0.20 1.39 0.00 -2.00 0.00 0.00 41.25 40.76 1hbm s ASN 376 CO 0.49 -0.35 1.90 1.23 -2.94 0.00 0.00 177.10 177.43 1hbm h GLY 377 N 2.00 0.00 0.74 0.45 0.00 -1.64 -2.14 103.07 102.47 1hbm h GLY 377 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1hbm h GLY 377 CO 0.25 0.00 -0.32 -2.01 0.00 0.00 0.00 176.54 174.47 1hbm n ASN 378 N -2.64 0.68 -4.77 0.19 5.15 -0.70 -3.93 115.26 109.25 1hbm n ASN 378 Ca 0.00 -0.51 -0.39 0.00 -0.60 0.00 0.00 54.58 53.08 1hbm n ASN 378 Cb 0.18 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 1hbm n ASN 378 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1hbm s HIS 379 N -2.73 2.75 0.52 1.20 2.46 -0.81 -4.69 115.29 114.00 1hbm s HIS 379 Ca 0.19 1.44 0.17 0.00 0.47 0.00 0.00 55.06 57.33 1hbm s HIS 379 Cb 0.19 -3.62 1.29 0.00 -0.13 0.00 0.00 32.58 30.31 1hbm s HIS 379 CO 0.59 -2.06 2.14 0.97 -2.47 0.00 0.00 174.74 173.90 1hbm h ILE 380 N 2.16 0.97 0.00 0.89 6.09 -1.92 -1.70 117.51 124.00 1hbm h ILE 380 Ca -0.50 -0.09 -0.20 0.00 -1.37 0.00 0.00 64.86 62.70 1hbm h ILE 380 Cb 1.25 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.58 1hbm h ILE 380 CO 0.61 0.02 -0.90 0.58 -3.07 0.00 0.00 178.15 175.40 1hbm h VAL 381 N 0.00 1.48 0.00 2.19 2.07 -1.93 -3.37 116.25 116.69 1hbm h VAL 381 Ca -0.00 -2.60 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 1hbm h VAL 381 Cb 0.05 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1hbm h VAL 381 CO 0.00 0.76 -0.27 0.35 0.02 0.00 0.00 177.57 178.44 1hbm n THR 382 N -3.67 2.03 0.97 2.57 -2.24 -0.71 -4.54 114.28 108.68 1hbm n THR 382 Ca -0.04 -2.75 0.12 0.00 -2.27 0.00 0.00 64.05 59.11 1hbm n THR 382 Cb 0.82 -0.23 0.27 0.00 -2.10 0.00 0.00 70.33 69.09 1hbm n THR 382 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1hbm n ARG 383 N -1.25 0.02 -0.04 -0.78 1.85 -0.78 -4.58 116.66 111.10 1hbm n ARG 383 Ca 0.17 0.01 -0.15 0.00 -1.00 0.00 0.00 57.85 56.88 1hbm n ARG 383 Cb 0.67 -1.51 -0.08 0.00 -1.05 0.00 0.00 32.46 30.49 1hbm n ARG 383 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1hbm h HIS 384 N 0.00 0.62 -3.86 2.89 -0.00 -1.87 -3.42 115.15 109.51 1hbm h HIS 384 Ca 0.00 -0.24 -0.50 0.00 -0.00 0.00 0.00 60.37 59.63 1hbm h HIS 384 Cb 0.52 -0.11 0.02 0.00 -0.00 0.00 0.00 27.41 27.84 1hbm h HIS 384 CO 0.00 0.98 0.46 0.45 -0.00 0.00 0.00 177.93 179.82 1hbm s SER 385 N -6.49 7.08 -1.25 2.45 0.15 -1.26 -4.95 113.70 109.44 1hbm s SER 385 Ca -0.13 2.21 -0.06 0.00 0.70 0.00 0.00 55.95 58.67 1hbm s SER 385 Cb 0.06 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.93 1hbm s SER 385 CO 0.80 -0.27 2.01 0.29 1.20 0.00 0.00 173.24 177.27 1hbm n LYS 386 N 0.78 4.27 0.00 5.44 4.76 -1.26 -4.47 118.16 127.68 1hbm n LYS 386 Ca 0.01 -3.75 0.00 0.00 -2.87 0.00 0.00 58.31 51.70 1hbm n LYS 386 Cb 0.46 -2.72 0.00 0.00 -1.84 0.00 0.00 35.03 30.93 1hbm n LYS 386 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hbm n GLY 387 N 1.93 0.42 0.79 0.72 0.00 -1.26 -4.91 105.19 102.88 1hbm n GLY 387 Ca 0.47 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.61 1hbm n GLY 387 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hbm n PHE 388 N -1.88 0.00 -0.07 1.61 3.01 -1.26 -4.55 117.46 114.31 1hbm n PHE 388 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 1hbm n PHE 388 Cb 0.00 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.41 1hbm n PHE 388 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hbm n ALA 389 N 0.89 1.93 -0.18 4.37 0.00 -1.26 -4.77 120.51 121.48 1hbm n ALA 389 Ca 0.14 -0.62 0.08 0.00 0.00 0.00 0.00 53.44 53.04 1hbm n ALA 389 Cb 0.53 0.27 0.37 0.00 0.00 0.00 0.00 19.45 20.61 1hbm n ALA 389 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1hbm h ILE 390 N -0.58 0.99 -0.22 0.00 1.08 -1.89 -2.17 117.51 114.73 1hbm h ILE 390 Ca -0.35 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1hbm h ILE 390 Cb 1.25 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1hbm h ILE 390 CO -0.21 0.13 0.06 -0.65 -0.69 0.00 0.00 178.15 176.79 1hbm h PRO 391 N 0.72 0.30 -0.47 2.37 0.11 -1.86 -0.88 132.00 132.28 1hbm h PRO 391 Ca 0.33 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 1hbm h PRO 391 Cb 0.34 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1hbm h PRO 391 CO -0.11 0.28 0.07 0.00 -0.21 0.00 0.00 178.00 178.03 1hbm h VAL 393 N 0.71 1.26 -0.56 0.00 2.07 -1.13 -1.13 116.25 117.47 1hbm h VAL 393 Ca 0.15 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1hbm h VAL 393 Cb 0.33 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1hbm h VAL 393 CO 0.00 0.39 0.33 0.00 0.02 0.00 0.00 177.57 178.32 1hbm h ALA 394 N 1.01 0.71 -0.25 1.67 0.00 -1.22 -1.37 119.26 119.82 1hbm h ALA 394 Ca 0.18 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1hbm h ALA 394 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1hbm h ALA 394 CO 0.02 0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.60 1hbm h ALA 395 N 1.16 0.30 -0.69 0.00 0.00 -1.10 -1.66 119.26 117.28 1hbm h ALA 395 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1hbm h ALA 395 Cb -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1hbm h ALA 395 CO -0.04 -0.26 0.41 0.00 0.00 0.00 0.00 179.25 179.36 1hbm h ALA 396 N 1.12 0.92 -0.08 0.00 0.00 -0.99 -2.14 119.26 118.10 1hbm h ALA 396 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1hbm h ALA 396 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hbm h ALA 396 CO -0.06 0.15 -0.45 0.52 0.00 0.00 0.00 179.25 179.40 1hbm h MET 397 N 0.79 0.18 -0.10 0.00 2.86 -1.11 -2.52 114.93 115.02 1hbm h MET 397 Ca 0.29 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1hbm h MET 397 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1hbm h MET 397 CO -0.14 0.61 -0.20 0.00 1.06 0.00 0.00 176.91 178.23 1hbm h ALA 398 N 1.38 1.47 -0.03 6.32 0.00 -0.78 -2.51 119.26 125.12 1hbm h ALA 398 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1hbm h ALA 398 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1hbm h ALA 398 CO 0.07 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.97 1hbm n LEU 399 N -4.23 0.90 -4.71 0.00 4.77 -0.85 -4.83 117.00 108.05 1hbm n LEU 399 Ca -0.01 -0.32 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 1hbm n LEU 399 Cb 0.31 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1hbm n LEU 399 CO 0.38 0.16 0.77 -0.62 -1.33 0.00 0.00 177.39 176.75 1hbm s ASP 400 N -1.92 7.25 0.00 -1.43 2.15 -0.95 -4.24 116.67 117.53 1hbm s ASP 400 Ca 0.40 1.79 0.26 0.00 0.43 0.00 0.00 52.55 55.42 1hbm s ASP 400 Cb 0.20 -2.57 0.64 0.00 -0.30 0.00 0.00 42.92 40.89 1hbm s ASP 400 CO 0.33 -0.35 1.51 0.00 -0.17 0.00 0.00 175.17 176.48 1hbm n ALA 401 N 4.00 2.73 0.00 3.66 0.00 -0.54 -4.84 120.51 125.52 1hbm n ALA 401 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1hbm n ALA 401 Cb 0.49 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1hbm n ALA 401 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hbm n GLY 402 N 1.28 0.18 0.45 0.00 0.00 -1.26 -5.06 105.19 100.78 1hbm n GLY 402 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1hbm n GLY 402 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hbm n THR 403 N 0.00 0.00 -4.24 2.61 -2.24 -1.26 -4.97 114.28 104.18 1hbm n THR 403 Ca 0.00 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 1hbm n THR 403 Cb 0.00 1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 69.30 1hbm n THR 403 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1hbm s GLN 404 N -2.51 3.20 0.01 -0.78 -1.52 -1.26 -5.01 119.66 111.79 1hbm s GLN 404 Ca 0.18 -0.35 -0.19 0.00 -1.95 0.00 0.00 55.36 53.06 1hbm s GLN 404 Cb 0.18 -2.92 -0.24 0.00 -0.22 0.00 0.00 33.01 29.81 1hbm s GLN 404 CO 0.59 0.66 1.09 0.52 -0.25 0.00 0.00 175.29 177.90 1hbm h MET 405 N 5.33 0.46 -3.04 2.91 2.86 -2.04 -3.37 114.93 118.03 1hbm h MET 405 Ca -0.50 -0.52 -0.78 0.00 -2.06 0.00 0.00 59.70 55.84 1hbm h MET 405 Cb 1.20 0.15 -0.21 0.00 0.06 0.00 0.00 31.60 32.80 1hbm h MET 405 CO 0.57 1.17 1.48 1.19 1.06 0.00 0.00 176.91 182.38 1hbm n PHE 406 N -4.13 2.58 -2.37 -0.22 3.01 -1.26 -4.75 117.46 110.32 1hbm n PHE 406 Ca -0.11 -2.68 -0.24 0.00 1.01 0.00 0.00 57.45 55.43 1hbm n PHE 406 Cb 0.74 -1.58 0.08 0.00 -0.01 0.00 0.00 39.48 38.70 1hbm n PHE 406 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1hbm s SER 407 N -0.49 4.72 0.41 4.37 1.04 -1.26 -4.68 113.70 117.81 1hbm s SER 407 Ca 0.38 0.16 0.07 0.00 0.48 0.00 0.00 55.95 57.04 1hbm s SER 407 Cb 0.10 -0.77 0.87 0.00 0.10 0.00 0.00 66.02 66.32 1hbm s SER 407 CO 0.02 -1.61 2.06 -0.65 0.98 0.00 0.00 173.24 174.04 1hbm h PRO 408 N -0.49 0.52 -0.15 4.02 0.11 -1.94 -0.73 132.00 133.35 1hbm h PRO 408 Ca -0.42 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1hbm h PRO 408 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1hbm h PRO 408 CO 0.53 0.35 -0.17 0.93 -0.21 0.00 0.00 178.00 179.42 1hbm h GLU 409 N 0.54 0.24 0.11 1.05 3.07 -1.94 0.15 114.58 117.81 1hbm h GLU 409 Ca 0.15 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.36 58.65 1hbm h GLU 409 Cb -0.05 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1hbm h GLU 409 CO -0.03 0.42 -1.42 0.00 -1.40 0.00 0.00 179.01 176.57 1hbm h ALA 410 N 1.60 0.23 0.00 3.43 0.00 -1.48 -3.39 119.26 119.66 1hbm h ALA 410 Ca 0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 1hbm h ALA 410 Cb 0.44 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hbm h ALA 410 CO 0.03 1.10 -1.91 0.25 0.00 0.00 0.00 179.25 178.71 1hbm n THR 411 N -3.46 0.13 -1.95 0.00 -2.24 -0.53 -4.76 114.28 101.46 1hbm n THR 411 Ca -0.13 -0.47 0.03 0.00 -2.27 0.00 0.00 64.05 61.21 1hbm n THR 411 Cb 1.03 -0.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1hbm n THR 411 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hbm n SER 412 N -2.22 0.87 -0.21 3.42 7.64 0.53 -4.89 113.62 118.76 1hbm n SER 412 Ca -0.06 -2.39 -0.08 0.00 1.01 0.00 0.00 58.87 57.34 1hbm n SER 412 Cb 0.56 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.48 1hbm n SER 412 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1hbm h GLY 413 N 0.40 1.00 0.91 0.23 0.00 -1.74 0.34 103.07 104.21 1hbm h GLY 413 Ca -0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1hbm h GLY 413 CO 0.03 0.57 0.07 -2.00 0.00 0.00 0.00 176.54 175.22 1hbm h LEU 414 N 0.84 0.52 -0.26 3.11 5.85 -1.93 -2.08 115.31 121.36 1hbm h LEU 414 Ca 0.19 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1hbm h LEU 414 Cb 0.33 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1hbm h LEU 414 CO -0.00 0.63 0.00 0.40 -0.34 0.00 0.00 178.44 179.13 1hbm h ILE 415 N 0.39 0.82 -0.26 4.05 1.08 -1.86 -2.59 117.51 119.15 1hbm h ILE 415 Ca 0.11 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.60 1hbm h ILE 415 Cb 0.32 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 1hbm h ILE 415 CO 0.00 0.01 -0.07 0.50 -0.69 0.00 0.00 178.15 177.91 1hbm h LYS 416 N 0.08 -0.01 -0.88 2.37 3.64 -0.78 0.22 116.57 121.20 1hbm h LYS 416 Ca 0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1hbm h LYS 416 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1hbm h LYS 416 CO -0.20 -0.00 0.52 1.49 -2.27 0.00 0.00 179.45 178.98 1hbm h GLU 417 N -0.01 1.21 0.00 1.90 4.81 -1.18 -2.50 114.58 118.81 1hbm h GLU 417 Ca 0.12 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1hbm h GLU 417 Cb 0.20 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1hbm h GLU 417 CO -0.27 0.86 -0.73 0.28 -0.73 0.00 0.00 179.01 178.43 1hbm h VAL 418 N 1.22 0.75 0.00 0.32 2.07 -1.39 -3.39 116.25 115.83 1hbm h VAL 418 Ca 0.32 -1.80 -0.09 0.00 0.82 0.00 0.00 66.70 65.95 1hbm h VAL 418 Cb -0.02 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1hbm h VAL 418 CO -0.06 0.25 -0.44 -0.26 0.02 0.00 0.00 177.57 177.08 1hbm h PHE 419 N -1.00 0.00 0.00 1.57 -1.00 -0.64 -2.44 116.94 113.43 1hbm h PHE 419 Ca -0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.61 1hbm h PHE 419 Cb 0.92 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.48 1hbm h PHE 419 CO 0.04 0.44 0.00 0.66 -1.61 0.00 0.00 178.31 177.84 1hbm h SER 420 N 0.00 0.00 0.48 2.17 4.64 -1.55 -2.77 113.55 116.53 1hbm h SER 420 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1hbm h SER 420 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1hbm h SER 420 CO 0.06 0.00 -0.15 1.56 -0.87 0.00 0.00 176.83 177.42 1hbm h GLN 421 N 0.00 0.00 -6.01 4.77 1.08 -1.63 -3.43 115.11 109.89 1hbm h GLN 421 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 1hbm h GLN 421 Cb 0.31 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.65 1hbm h GLN 421 CO 0.00 0.15 0.57 0.08 -0.95 0.00 0.00 178.83 178.68 1hbm s VAL 422 N -4.08 4.64 0.26 -0.54 1.01 -1.04 -4.95 120.40 115.70 1hbm s VAL 422 Ca -0.02 1.25 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1hbm s VAL 422 Cb 0.13 -4.29 0.24 0.00 0.00 0.00 0.00 36.38 32.46 1hbm s VAL 422 CO 0.60 -0.45 1.81 0.44 0.00 0.00 0.00 175.10 177.51 1hbm h ASP 423 N 8.32 0.73 1.00 3.32 3.32 -1.89 -1.24 116.42 129.97 1hbm h ASP 423 Ca -0.23 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1hbm h ASP 423 Cb 1.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1hbm h ASP 423 CO 0.96 0.39 -0.39 -0.33 -1.72 0.00 0.00 179.24 178.15 1hbm h GLU 424 N 0.82 0.00 -0.06 3.56 3.07 -1.92 -0.84 114.58 119.21 1hbm h GLU 424 Ca 0.44 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.06 1hbm h GLU 424 Cb 0.44 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1hbm h GLU 424 CO -0.27 0.39 -0.91 0.74 -1.40 0.00 0.00 179.01 177.55 1hbm h PHE 425 N 0.00 0.96 0.02 4.33 0.04 -1.58 -3.20 116.94 117.51 1hbm h PHE 425 Ca -0.00 -0.48 -0.26 0.00 2.80 0.00 0.00 57.97 60.02 1hbm h PHE 425 Cb 0.99 -0.13 0.02 0.00 2.20 0.00 0.00 35.95 39.03 1hbm h PHE 425 CO 0.00 1.31 -1.05 -0.09 -0.60 0.00 0.00 178.31 177.88 1hbm h ARG 426 N 0.42 0.63 -2.14 1.51 2.43 -1.05 -3.39 114.38 112.78 1hbm h ARG 426 Ca -0.09 -0.70 -0.55 0.00 -0.81 0.00 0.00 59.98 57.84 1hbm h ARG 426 Cb 1.55 0.20 -0.41 0.00 -0.42 0.00 0.00 29.97 30.90 1hbm h ARG 426 CO 0.18 1.29 -0.89 0.39 -1.51 0.00 0.00 179.97 179.42 1hbm n GLU 427 N -3.82 2.04 0.19 0.20 1.02 -0.34 -4.53 120.64 115.40 1hbm n GLU 427 Ca -0.10 -4.11 0.03 0.00 -0.02 0.00 0.00 57.16 52.95 1hbm n GLU 427 Cb 0.89 -1.93 0.36 0.00 -0.02 0.00 0.00 31.44 30.74 1hbm n GLU 427 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1hbm h PRO 428 N 3.24 0.00 -0.82 3.49 0.13 -1.74 -2.30 132.00 134.00 1hbm h PRO 428 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1hbm h PRO 428 Cb 0.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 1hbm h PRO 428 CO 0.66 0.38 0.50 1.25 -0.23 0.00 0.00 178.00 180.56 1hbm h LEU 429 N 0.00 0.97 0.46 1.56 5.85 -1.90 -0.03 115.31 122.23 1hbm h LEU 429 Ca -0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1hbm h LEU 429 Cb 0.69 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1hbm h LEU 429 CO 0.05 0.74 -0.22 0.50 -0.34 0.00 0.00 178.44 179.17 1hbm h LYS 430 N 1.13 -0.60 -0.08 1.25 3.64 -1.81 -2.73 116.57 117.37 1hbm h LYS 430 Ca 0.30 0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.52 1hbm h LYS 430 Cb -0.06 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1hbm h LYS 430 CO -0.06 -0.35 -0.76 1.88 -2.27 0.00 0.00 179.45 177.90 1hbm h TYR 431 N -0.73 0.61 -0.50 1.91 -1.99 -1.37 -1.43 116.97 113.47 1hbm h TYR 431 Ca -0.06 -0.28 -0.12 0.00 2.00 0.00 0.00 58.73 60.27 1hbm h TYR 431 Cb 0.53 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1hbm h TYR 431 CO -0.02 1.05 -0.17 0.28 -0.00 0.00 0.00 178.16 179.30 1hbm h VAL 432 N 0.30 1.27 -0.22 -2.88 2.07 -1.10 -0.92 116.25 114.76 1hbm h VAL 432 Ca -0.04 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1hbm h VAL 432 Cb 1.35 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1hbm h VAL 432 CO 0.13 0.46 0.10 0.58 0.02 0.00 0.00 177.57 178.86 1hbm h VAL 433 N 0.86 1.15 -0.59 2.57 2.07 -1.46 -1.01 116.25 119.84 1hbm h VAL 433 Ca 0.12 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1hbm h VAL 433 Cb 0.73 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1hbm h VAL 433 CO 0.06 0.15 0.36 -0.33 0.02 0.00 0.00 177.57 177.83 1hbm h GLU 434 N 0.22 0.69 -0.41 1.57 5.08 -1.12 -1.34 114.58 119.27 1hbm h GLU 434 Ca 0.08 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1hbm h GLU 434 Cb 0.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1hbm h GLU 434 CO -0.01 0.46 -0.06 0.00 -1.00 0.00 0.00 179.01 178.40 1hbm h ALA 435 N 1.26 1.13 -0.75 3.43 0.00 -1.12 -1.76 119.26 121.44 1hbm h ALA 435 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1hbm h ALA 435 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1hbm h ALA 435 CO -0.10 0.55 0.24 0.00 0.00 0.00 0.00 179.25 179.94 1hbm h ALA 436 N 1.29 1.00 -0.37 0.00 0.00 -0.59 -1.84 119.26 118.74 1hbm h ALA 436 Ca 0.12 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1hbm h ALA 436 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1hbm h ALA 436 CO 0.03 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.72 1hbm h ALA 437 N 1.13 0.89 -0.12 0.00 0.00 -1.09 -2.40 119.26 117.67 1hbm h ALA 437 Ca 0.24 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1hbm h ALA 437 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1hbm h ALA 437 CO -0.01 0.63 -0.30 1.49 0.00 0.00 0.00 179.25 181.06 1hbm h GLU 438 N 0.65 0.23 -0.54 0.00 4.57 -0.84 -3.01 114.58 115.64 1hbm h GLU 438 Ca 0.09 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1hbm h GLU 438 Cb 0.73 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1hbm h GLU 438 CO 0.06 0.51 0.00 0.44 -1.18 0.00 0.00 179.01 178.84 1hbm n ILE 439 N -4.12 1.27 0.24 2.32 -5.35 -0.74 -4.66 119.36 108.32 1hbm n ILE 439 Ca -0.01 -1.11 0.10 0.00 -0.27 0.00 0.00 62.75 61.46 1hbm n ILE 439 Cb 0.39 0.37 0.63 0.00 -1.74 0.00 0.00 39.64 39.29 1hbm n ILE 439 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1hbm h LYS 440 N 3.21 0.00 -0.64 6.28 2.10 -1.29 -0.38 116.57 125.85 1hbm h LYS 440 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1hbm h LYS 440 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1hbm h LYS 440 CO 0.06 0.16 0.00 0.09 -2.00 0.00 0.00 179.45 177.77 1hbm n ASN 441 N -3.86 4.28 -0.69 7.07 4.13 -1.26 -3.87 115.26 121.05 1hbm n ASN 441 Ca -0.02 -2.41 0.08 0.00 1.68 0.00 0.00 54.58 53.91 1hbm n ASN 441 Cb 0.26 -0.55 0.10 0.00 -1.54 0.00 0.00 39.78 38.05 1hbm n ASN 441 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1hbm n GLU 442 N 0.95 1.52 0.00 3.52 1.02 -0.15 -5.21 120.64 122.29 1hbm n GLU 442 Ca 0.23 -1.61 0.12 0.00 -0.02 0.00 0.00 57.16 55.87 1hbm n GLU 442 Cb 0.81 -1.32 0.10 0.00 -0.02 0.00 0.00 31.44 31.01 1hbm n GLU 442 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42