#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 0.51 -6.78 0.00 3.64 -2.03 -3.46 116.57 108.45 1hbm h LYS 3 Ca 0.00 -0.80 -0.69 0.00 -1.27 0.00 0.00 60.65 57.89 1hbm h LYS 3 Cb 0.00 0.29 -0.23 0.00 -0.41 0.00 0.00 32.23 31.88 1hbm h LYS 3 CO 0.00 1.37 -0.85 -0.06 -2.27 0.00 0.00 179.45 177.64 1hbm s PHE 4 N -2.69 2.38 -0.80 1.91 0.40 -1.26 -5.04 117.98 112.89 1hbm s PHE 4 Ca -0.10 -0.35 0.26 0.00 -0.60 0.00 0.00 56.93 56.14 1hbm s PHE 4 Cb 0.04 -1.34 0.77 0.00 0.51 0.00 0.00 43.02 43.00 1hbm s PHE 4 CO 0.92 0.27 1.67 0.39 0.70 0.00 0.00 175.22 179.16 1hbm n GLU 5 N 1.25 0.18 -1.95 0.44 1.02 -1.26 -4.84 120.64 115.49 1hbm n GLU 5 Ca -0.17 0.12 -0.39 0.00 -0.02 0.00 0.00 57.16 56.70 1hbm n GLU 5 Cb 0.52 -1.68 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1hbm n GLU 5 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hbm s ASP 6 N -3.96 5.80 0.06 1.62 1.01 -1.26 -4.92 116.67 115.01 1hbm s ASP 6 Ca 0.10 2.67 0.05 0.00 0.71 0.00 0.00 52.55 56.08 1hbm s ASP 6 Cb 0.15 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1hbm s ASP 6 CO 0.62 -1.20 -0.14 -0.54 0.21 0.00 0.00 175.17 174.12 1hbm s LYS 7 N -2.63 0.88 0.16 8.23 1.02 -1.26 -1.77 119.74 124.36 1hbm s LYS 7 Ca 0.65 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.85 1hbm s LYS 7 Cb -0.38 -0.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1hbm s LYS 7 CO 0.47 0.21 -0.15 0.14 -0.92 0.00 0.00 175.35 175.10 1hbm s VAL 8 N -1.05 1.53 -0.17 3.17 -7.23 0.16 -4.86 120.40 111.94 1hbm s VAL 8 Ca -0.00 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 1hbm s VAL 8 Cb -0.09 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1hbm s VAL 8 CO 0.02 -0.48 0.16 -1.81 -0.31 0.00 0.00 175.10 172.68 1hbm s ASP 9 N -2.82 6.29 -0.07 4.85 1.01 -1.26 -0.77 116.67 123.91 1hbm s ASP 9 Ca 0.15 0.33 0.01 0.00 0.71 0.00 0.00 52.55 53.76 1hbm s ASP 9 Cb -0.03 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 1hbm s ASP 9 CO 0.05 0.22 -0.09 -0.76 0.21 0.00 0.00 175.17 174.80 1hbm s LEU 10 N 0.04 3.05 0.32 1.23 1.43 0.23 -0.49 118.68 124.50 1hbm s LEU 10 Ca 0.11 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1hbm s LEU 10 Cb -0.12 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 1hbm s LEU 10 CO 0.00 0.35 -0.06 -0.31 0.23 0.00 0.00 176.35 176.57 1hbm s TYR 11 N -0.72 2.20 0.31 0.29 1.51 -1.26 0.08 117.35 119.75 1hbm s TYR 11 Ca 0.11 -0.64 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1hbm s TYR 11 Cb -0.11 -1.31 0.05 0.00 -0.11 0.00 0.00 41.96 40.48 1hbm s TYR 11 CO 0.01 0.40 0.42 -0.40 -1.11 0.00 0.00 175.55 174.87 1hbm n ASP 12 N -0.72 0.94 -0.37 2.29 3.85 -0.18 -4.81 116.55 117.55 1hbm n ASP 12 Ca -0.05 -1.70 0.04 0.00 -0.71 0.00 0.00 54.79 52.37 1hbm n ASP 12 Cb 0.64 -0.24 0.14 0.00 -1.35 0.00 0.00 41.12 40.31 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 -2.75 1.07 -0.46 -1.12 3.85 -1.26 -2.29 116.55 113.59 1hbm n ASP 13 Ca 0.08 -1.94 0.05 0.00 -0.71 0.00 0.00 54.79 52.26 1hbm n ASP 13 Cb 0.29 -0.13 0.09 0.00 -1.35 0.00 0.00 41.12 40.03 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 0.06 1.94 -0.47 0.11 5.12 -1.26 -5.00 116.66 117.15 1hbm n ARG 14 Ca 0.08 -1.62 0.00 0.00 -1.93 0.00 0.00 57.85 54.38 1hbm n ARG 14 Cb 0.18 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.39 0.75 3.78 -0.13 0.00 -0.97 -5.05 105.19 103.96 1hbm n GLY 15 Ca 0.08 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.11 6.68 0.05 1.61 0.01 -1.26 -4.86 114.94 115.05 1hbm s ASN 16 Ca 0.00 0.80 -0.30 0.00 -0.71 0.00 0.00 52.86 52.65 1hbm s ASN 16 Cb 0.00 -2.24 -0.08 0.00 0.41 0.00 0.00 41.25 39.34 1hbm s ASN 16 CO 0.00 0.20 1.67 -0.22 -1.51 0.00 0.00 177.10 177.24 1hbm s LEU 17 N -0.30 4.36 -0.26 0.60 1.98 -1.26 -1.01 118.68 122.79 1hbm s LEU 17 Ca 0.22 2.46 -0.09 0.00 -2.89 0.00 0.00 54.13 53.84 1hbm s LEU 17 Cb -0.15 -3.56 -0.13 0.00 0.66 0.00 0.00 46.19 43.01 1hbm s LEU 17 CO 0.10 -0.90 -0.31 0.52 -1.89 0.00 0.00 176.35 173.87 1hbm n VAL 18 N 4.90 1.46 -3.66 1.68 0.31 0.11 -4.92 118.33 118.20 1hbm n VAL 18 Ca 0.16 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.95 1hbm n VAL 18 Cb 0.41 -1.71 -0.12 0.00 -0.91 0.00 0.00 33.84 31.50 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 -2.49 0.20 0.40 5.55 2.56 -0.90 -5.02 118.70 119.00 1hbm s GLU 19 Ca -0.36 0.83 -0.08 0.00 0.00 0.00 0.00 54.97 55.36 1hbm s GLU 19 Cb 0.13 0.07 -0.05 0.00 2.00 0.00 0.00 34.13 36.27 1hbm s GLU 19 CO 0.50 -0.27 0.72 -2.00 -0.56 0.00 0.00 175.26 173.65 1hbm s GLU 20 N 2.41 3.68 -1.34 4.30 2.12 -1.26 -0.60 118.70 128.01 1hbm s GLU 20 Ca -0.00 0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.57 1hbm s GLU 20 Cb -0.12 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.83 1hbm s GLU 20 CO -0.10 -0.02 0.77 1.04 -0.54 0.00 0.00 175.26 176.42 1hbm n GLN 21 N -1.48 -5.19 -3.14 4.30 1.13 -1.14 -4.93 117.38 106.94 1hbm n GLN 21 Ca 0.01 0.64 -0.40 0.00 -1.94 0.00 0.00 57.00 55.31 1hbm n GLN 21 Cb 0.54 -5.28 -0.06 0.00 0.11 0.00 0.00 30.24 25.55 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 -3.59 5.06 0.24 5.09 1.01 0.05 -4.80 120.40 123.46 1hbm s VAL 22 Ca 0.12 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.97 1hbm s VAL 22 Cb -0.06 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 1hbm s VAL 22 CO 0.81 0.18 1.48 -2.65 0.00 0.00 0.00 175.10 174.92 1hbm n PRO 23 N 4.56 2.21 -0.26 2.72 -0.02 -1.26 -0.67 135.00 142.28 1hbm n PRO 23 Ca -0.02 0.79 0.06 0.00 -2.02 0.00 0.00 63.50 62.31 1hbm n PRO 23 Cb 0.50 -2.49 0.20 0.00 -0.02 0.00 0.00 33.50 31.68 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 4.68 0.08 -0.38 2.45 5.85 -1.67 -1.27 115.31 125.05 1hbm h LEU 24 Ca -0.45 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1hbm h LEU 24 Cb 1.26 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1hbm h LEU 24 CO 0.79 -0.02 0.00 -0.62 -0.34 0.00 0.00 178.44 178.25 1hbm n GLU 25 N -5.13 0.07 0.16 1.25 1.02 -1.26 -1.72 120.64 115.03 1hbm n GLU 25 Ca 0.15 0.39 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 1hbm n GLU 25 Cb 0.48 -1.66 0.55 0.00 -0.02 0.00 0.00 31.44 30.78 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 2.28 1.00 -0.02 0.62 0.00 -1.58 -2.31 119.26 119.24 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 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1hbm h ALA 26 CO 0.00 0.00 -0.15 1.28 0.00 0.00 0.00 179.25 180.38 1hbm n LEU 27 N -2.35 1.97 -4.77 0.00 4.77 -0.70 -4.38 117.00 111.54 1hbm n LEU 27 Ca 0.01 -0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 54.93 1hbm n LEU 27 Cb 0.20 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1hbm n LEU 27 CO 0.19 0.34 1.03 -0.55 -1.33 0.00 0.00 177.39 177.07 1hbm s SER 28 N -2.20 6.65 0.49 -1.43 0.15 -0.87 -4.83 113.70 111.66 1hbm s SER 28 Ca 0.28 2.80 0.24 0.00 0.70 0.00 0.00 55.95 59.97 1hbm s SER 28 Cb 0.20 -2.65 1.30 0.00 -1.71 0.00 0.00 66.02 63.16 1hbm s SER 28 CO 0.41 -0.64 1.92 -0.65 1.20 0.00 0.00 173.24 175.48 1hbm h PRO 29 N 3.30 0.15 0.00 5.44 0.11 -1.90 0.12 132.00 139.21 1hbm h PRO 29 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hbm h PRO 29 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hbm h PRO 29 CO 0.65 0.10 0.00 -0.07 -0.21 0.00 0.00 178.00 178.47 1hbm h LEU 30 N 0.15 0.00 0.00 2.35 3.38 -1.93 -3.36 115.31 115.91 1hbm h LEU 30 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1hbm h LEU 30 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1hbm h LEU 30 CO -0.06 0.00 -0.78 0.54 0.09 0.00 0.00 178.44 178.23 1hbm n ARG 31 N -2.67 2.51 -2.87 1.13 5.12 -0.23 -5.05 116.66 114.60 1hbm n ARG 31 Ca 0.02 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.52 1hbm n ARG 31 Cb 0.30 -0.89 -0.04 0.00 -1.16 0.00 0.00 32.46 30.68 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 -2.79 6.96 0.39 0.55 3.84 -0.14 -4.94 114.94 118.82 1hbm s ASN 32 Ca 0.00 1.19 0.18 0.00 0.21 0.00 0.00 52.86 54.44 1hbm s ASN 32 Cb 0.00 -2.46 0.77 0.00 -0.55 0.00 0.00 41.25 39.01 1hbm s ASN 32 CO 0.00 -0.43 1.79 1.55 -2.79 0.00 0.00 177.10 177.22 1hbm h PRO 33 N 7.37 0.00 -0.21 0.43 0.13 -1.90 -2.48 132.00 135.34 1hbm h PRO 33 Ca -0.28 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.65 1hbm h PRO 33 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1hbm h PRO 33 CO 0.85 0.36 -0.65 0.00 -0.23 0.00 0.00 178.00 178.33 1hbm h ALA 34 N 1.64 0.44 -0.27 -0.56 0.00 -1.91 -0.60 119.26 118.00 1hbm h ALA 34 Ca -0.00 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1hbm h ALA 34 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1hbm h ALA 34 CO 0.05 0.69 0.16 0.82 0.00 0.00 0.00 179.25 180.97 1hbm h ILE 35 N 0.56 1.04 -0.54 0.00 2.04 -1.85 -1.56 117.51 117.21 1hbm h ILE 35 Ca -0.02 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1hbm h ILE 35 Cb 1.26 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 1hbm h ILE 35 CO 0.14 0.06 0.13 0.50 0.00 0.00 0.00 178.15 178.98 1hbm h LYS 36 N 0.33 0.27 -0.74 2.37 3.64 -1.38 -0.96 116.57 120.10 1hbm h LYS 36 Ca 0.10 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1hbm h LYS 36 Cb -0.01 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1hbm h LYS 36 CO -0.04 0.18 0.35 1.03 -2.27 0.00 0.00 179.45 178.70 1hbm h SER 37 N 0.28 0.97 -0.30 4.20 0.87 -0.91 -0.10 113.55 118.56 1hbm h SER 37 Ca 0.27 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1hbm h SER 37 Cb 0.37 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1hbm h SER 37 CO -0.33 0.82 0.01 0.40 -0.53 0.00 0.00 176.83 177.20 1hbm h ILE 38 N 1.06 1.25 0.02 2.23 2.04 -0.86 0.60 117.51 123.86 1hbm h ILE 38 Ca 0.26 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1hbm h ILE 38 Cb 0.12 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1hbm h ILE 38 CO -0.03 0.29 -0.01 0.58 0.00 0.00 0.00 178.15 178.98 1hbm h VAL 39 N 0.31 1.06 -0.40 1.67 2.07 -0.90 0.63 116.25 120.70 1hbm h VAL 39 Ca 0.09 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1hbm h VAL 39 Cb 0.41 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1hbm h VAL 39 CO 0.01 0.07 0.11 1.56 0.02 0.00 0.00 177.57 179.34 1hbm h GLN 40 N -0.14 0.58 -0.14 1.57 4.20 -1.01 -1.65 115.11 118.52 1hbm h GLN 40 Ca -0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1hbm h GLN 40 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1hbm h GLN 40 CO 0.01 0.52 0.07 0.78 -0.67 0.00 0.00 178.83 179.54 1hbm h GLY 41 N 0.78 0.20 1.61 3.46 0.00 -0.64 -2.58 103.07 105.90 1hbm h GLY 41 Ca 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1hbm h GLY 41 CO -0.01 0.09 -0.01 -2.22 0.00 0.00 0.00 176.54 174.39 1hbm h ILE 42 N 0.12 1.19 -0.50 2.60 2.04 -0.35 -2.14 117.51 120.47 1hbm h ILE 42 Ca 0.05 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1hbm h ILE 42 Cb 0.07 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1hbm h ILE 42 CO -0.01 0.26 0.16 0.11 0.00 0.00 0.00 178.15 178.68 1hbm h LYS 43 N 0.47 0.73 -0.02 2.37 1.57 -1.21 -3.32 116.57 117.16 1hbm h LYS 43 Ca 0.10 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1hbm h LYS 43 Cb 0.33 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hbm h LYS 43 CO 0.01 0.63 -0.01 2.89 -0.57 0.00 0.00 179.45 182.40 1hbm n ARG 44 N -4.32 1.61 -3.81 3.15 1.85 -0.86 -4.60 116.66 109.69 1hbm n ARG 44 Ca 0.04 -1.60 -0.36 0.00 -1.00 0.00 0.00 57.85 54.93 1hbm n ARG 44 Cb 0.18 -1.36 -0.07 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.59 5.46 -0.00 8.89 2.01 -0.89 -1.18 115.64 128.33 1hbm s THR 45 Ca 0.22 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.47 1hbm s THR 45 Cb 0.16 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.22 1hbm s THR 45 CO 0.24 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.98 1hbm s VAL 46 N -0.54 0.45 -0.18 3.82 1.01 0.30 -4.68 120.40 120.57 1hbm s VAL 46 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1hbm s VAL 46 Cb -0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1hbm s VAL 46 CO 0.02 0.12 0.11 0.00 0.00 0.00 0.00 175.10 175.35 1hbm s ALA 47 N -0.16 3.65 -0.15 5.51 0.00 -0.19 -1.13 121.76 129.29 1hbm s ALA 47 Ca 0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1hbm s ALA 47 Cb -0.02 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 1hbm s ALA 47 CO -0.00 0.28 -0.12 0.08 0.00 0.00 0.00 175.76 176.00 1hbm s VAL 48 N 0.02 3.04 -0.81 0.00 1.01 -0.37 -1.06 120.40 122.24 1hbm s VAL 48 Ca 0.09 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1hbm s VAL 48 Cb -0.12 -2.30 0.21 0.00 0.00 0.00 0.00 36.38 34.18 1hbm s VAL 48 CO -0.00 0.50 0.73 0.21 0.00 0.00 0.00 175.10 176.55 1hbm s ASN 49 N 0.67 6.59 0.22 3.32 2.47 -0.41 -1.20 114.94 126.60 1hbm s ASN 49 Ca -0.06 -2.73 -0.05 0.00 0.42 0.00 0.00 52.86 50.44 1hbm s ASN 49 Cb -0.15 -2.17 0.21 0.00 -1.45 0.00 0.00 41.25 37.69 1hbm s ASN 49 CO 0.02 -0.54 1.70 -0.07 -3.72 0.00 0.00 177.10 174.49 1hbm h LEU 50 N 7.67 0.87 -0.58 3.21 3.38 -1.50 -1.30 115.31 127.06 1hbm h LEU 50 Ca 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1hbm h LEU 50 Cb 1.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1hbm h LEU 50 CO 0.75 0.95 0.37 -0.08 0.09 0.00 0.00 178.44 180.52 1hbm h GLU 51 N 0.82 0.77 -0.59 1.13 4.81 -1.64 -1.34 114.58 118.54 1hbm h GLU 51 Ca 0.15 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1hbm h GLU 51 Cb 0.53 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1hbm h GLU 51 CO 0.03 0.52 0.18 0.78 -0.73 0.00 0.00 179.01 179.79 1hbm h GLY 52 N 0.78 0.99 0.94 1.92 0.00 -1.76 -0.52 103.07 105.42 1hbm h GLY 52 Ca 0.21 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1hbm h GLY 52 CO -0.04 0.55 0.08 -2.22 0.00 0.00 0.00 176.54 174.91 1hbm h ILE 53 N 0.84 1.00 -0.57 2.60 2.04 -1.10 -0.56 117.51 121.75 1hbm h ILE 53 Ca 0.19 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1hbm h ILE 53 Cb 0.29 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1hbm h ILE 53 CO -0.01 0.03 0.32 -0.08 0.00 0.00 0.00 178.15 178.42 1hbm h GLU 54 N 0.17 0.60 -0.24 2.37 4.81 -0.98 -1.68 114.58 119.62 1hbm h GLU 54 Ca 0.06 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1hbm h GLU 54 Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1hbm h GLU 54 CO -0.04 0.40 -0.50 -0.91 -0.73 0.00 0.00 179.01 177.23 1hbm h ASN 55 N 0.62 0.74 -0.79 1.04 2.35 -0.94 -1.93 115.58 116.67 1hbm h ASN 55 Ca 0.25 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1hbm h ASN 55 Cb 0.10 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 1hbm h ASN 55 CO -0.14 1.11 0.44 0.00 -1.65 0.00 0.00 177.43 177.19 1hbm h ALA 56 N 0.91 1.01 -0.33 -0.83 0.00 -0.87 -2.24 119.26 116.91 1hbm h ALA 56 Ca 0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1hbm h ALA 56 Cb 1.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1hbm h ALA 56 CO 0.10 0.51 -0.07 -0.07 0.00 0.00 0.00 179.25 179.72 1hbm h LEU 57 N 1.09 0.63 -1.58 0.00 3.38 -1.19 0.15 115.31 117.79 1hbm h LEU 57 Ca 0.28 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1hbm h LEU 57 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1hbm h LEU 57 CO -0.05 0.84 -0.22 0.11 0.09 0.00 0.00 178.44 179.22 1hbm h LYS 58 N 0.41 0.00 0.00 1.13 1.57 -1.06 -0.42 116.57 118.20 1hbm h LYS 58 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1hbm h LYS 58 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1hbm h LYS 58 CO 0.03 0.22 -1.05 0.25 -0.57 0.00 0.00 179.45 178.32 1hbm n THR 59 N -4.23 0.00 -1.73 -0.16 -2.24 -0.85 -4.45 114.28 100.62 1hbm n THR 59 Ca -0.02 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1hbm n THR 59 Cb 0.28 0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.55 -0.29 -3.13 6.98 0.00 0.46 -4.77 120.51 118.20 1hbm n ALA 60 Ca 0.03 0.19 -0.45 0.00 0.00 0.00 0.00 53.44 53.20 1hbm n ALA 60 Cb 0.34 -1.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.77 3.58 0.09 0.00 1.02 -0.78 -1.58 119.74 118.31 1hbm s LYS 61 Ca 0.00 -2.09 0.04 0.00 0.02 0.00 0.00 55.97 53.93 1hbm s LYS 61 Cb 0.00 -4.65 -0.04 0.00 -0.52 0.00 0.00 37.83 32.62 1hbm s LYS 61 CO 0.00 -1.53 -0.10 0.14 -0.92 0.00 0.00 175.35 172.95 1hbm s VAL 62 N 1.43 0.91 0.00 3.17 -7.23 -1.22 -4.65 120.40 112.82 1hbm s VAL 62 Ca 0.25 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1hbm s VAL 62 Cb -0.08 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1hbm s VAL 62 CO -0.09 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 1hbm n GLY 63 N 0.57 0.87 0.00 2.32 0.00 -1.26 -4.43 105.19 103.26 1hbm n GLY 63 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.25 1.75 3.68 -0.02 0.00 -1.25 -4.54 105.19 102.56 1hbm n GLY 64 Ca 0.00 -2.03 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.58 2.48 -1.19 1.61 -0.02 -1.26 -1.78 135.00 133.26 1hbm n PRO 65 Ca 0.00 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.31 1hbm n PRO 65 Cb 0.00 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 30.71 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 5.05 -0.10 -2.04 3.55 0.00 -1.26 -4.99 120.51 120.72 1hbm n ALA 66 Ca 0.18 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.33 1hbm n ALA 66 Cb 0.33 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.81 0.56 -0.38 0.00 2.20 -1.26 -3.39 119.74 116.66 1hbm s LYS 68 Ca 0.39 0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 56.36 1hbm s LYS 68 Cb -0.23 0.27 0.08 0.00 -1.51 0.00 0.00 37.83 36.44 1hbm s LYS 68 CO 0.27 -0.10 0.17 0.42 -0.36 0.00 0.00 175.35 175.75 1hbm s ILE 69 N -0.17 3.55 0.29 5.43 1.01 -0.62 -4.99 121.20 125.70 1hbm s ILE 69 Ca -0.03 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.68 1hbm s ILE 69 Cb -0.03 -3.23 -0.11 0.00 0.01 0.00 0.00 42.46 39.10 1hbm s ILE 69 CO 0.02 -0.47 1.51 -0.04 0.00 0.00 0.00 174.94 175.96 1hbm s MET 70 N 1.27 4.19 0.00 2.79 -1.94 -1.26 -2.52 119.30 121.83 1hbm s MET 70 Ca 0.03 2.45 0.00 0.00 -1.71 0.00 0.00 55.69 56.46 1hbm s MET 70 Cb -0.22 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.57 1hbm s MET 70 CO -0.01 -0.52 0.00 0.41 -0.01 0.00 0.00 175.02 174.89 1hbm n GLY 71 N 1.89 1.09 1.04 -0.03 0.00 -1.26 -4.93 105.19 103.00 1hbm n GLY 71 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 2.37 -1.76 1.61 5.12 -1.05 -5.01 116.66 115.94 1hbm n ARG 72 Ca 0.00 -2.17 -0.41 0.00 -1.93 0.00 0.00 57.85 53.34 1hbm n ARG 72 Cb 0.00 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 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 1.32 2.48 -4.13 5.56 4.71 -1.26 -4.81 120.64 124.51 1hbm n GLU 73 Ca 0.17 0.87 -0.22 0.00 -0.01 0.00 0.00 57.16 57.97 1hbm n GLU 73 Cb 0.56 -2.60 -0.17 0.00 -1.01 0.00 0.00 31.44 28.22 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 -2.04 1.24 -0.59 -4.62 1.43 -0.19 -4.99 118.68 108.91 1hbm s LEU 74 Ca 0.56 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1hbm s LEU 74 Cb -0.48 -0.57 0.15 0.00 0.03 0.00 0.00 46.19 45.31 1hbm s LEU 74 CO 0.62 -0.07 0.54 -0.62 0.23 0.00 0.00 176.35 177.05 1hbm s ASP 75 N 1.17 6.25 -0.05 2.29 -1.08 -1.26 -2.54 116.67 121.45 1hbm s ASP 75 Ca -0.07 -2.00 0.05 0.00 -0.52 0.00 0.00 52.55 50.01 1hbm s ASP 75 Cb -0.14 -2.19 -0.02 0.00 -1.46 0.00 0.00 42.92 39.11 1hbm s ASP 75 CO -0.01 -0.78 -0.20 -0.76 0.52 0.00 0.00 175.17 173.94 1hbm s LEU 76 N 1.26 2.40 -1.42 -1.34 1.43 -1.26 -5.05 118.68 114.71 1hbm s LEU 76 Ca 0.06 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 1hbm s LEU 76 Cb -0.25 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1hbm s LEU 76 CO 0.00 0.29 2.31 -0.67 0.23 0.00 0.00 176.35 178.52 1hbm n ASP 77 N 2.63 6.04 0.05 2.29 2.03 -1.26 -4.75 116.55 123.58 1hbm n ASP 77 Ca -0.17 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.10 1hbm n ASP 77 Cb 0.52 -1.53 -0.08 0.00 -0.72 0.00 0.00 41.12 39.30 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 3.45 0.99 -0.70 5.18 2.04 -1.95 -2.67 117.51 123.85 1hbm h ILE 78 Ca 0.61 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1hbm h ILE 78 Cb 0.50 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1hbm h ILE 78 CO 1.72 0.24 0.44 0.58 0.00 0.00 0.00 178.15 181.13 1hbm h VAL 79 N -0.76 1.11 -0.11 1.67 2.07 -1.85 -2.03 116.25 116.34 1hbm h VAL 79 Ca -0.02 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1hbm h VAL 79 Cb 0.53 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1hbm h VAL 79 CO 0.03 0.16 0.11 1.23 0.02 0.00 0.00 177.57 179.12 1hbm h GLY 80 N 0.87 0.00 -2.18 2.17 0.00 -1.92 -2.37 103.07 99.64 1hbm h GLY 80 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.44 1hbm h GLY 80 CO -0.10 0.00 0.03 0.70 0.00 0.00 0.00 176.54 177.17 1hbm n ASN 81 N -4.05 3.05 -0.16 0.19 3.02 -0.95 -4.81 115.26 111.56 1hbm n ASN 81 Ca -0.00 -3.54 -0.03 0.00 -0.03 0.00 0.00 54.58 50.98 1hbm n ASN 81 Cb 0.22 -0.64 0.19 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.26 1.24 -0.57 5.41 0.00 -0.82 -2.04 119.26 123.74 1hbm h ALA 82 Ca 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1hbm h ALA 82 Cb 1.75 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1hbm h ALA 82 CO 0.43 0.55 0.36 1.49 0.00 0.00 0.00 179.25 182.08 1hbm h GLU 83 N 0.88 0.71 -0.20 0.00 4.57 -1.87 0.38 114.58 119.05 1hbm h GLU 83 Ca 0.20 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1hbm h GLU 83 Cb 0.22 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1hbm h GLU 83 CO -0.01 0.47 -0.24 1.03 -1.18 0.00 0.00 179.01 179.07 1hbm h SER 84 N 0.73 0.55 -0.26 1.04 0.87 -1.83 -2.25 113.55 112.40 1hbm h SER 84 Ca 0.22 -0.50 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1hbm h SER 84 Cb -0.04 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1hbm h SER 84 CO -0.07 0.94 0.14 0.40 -0.53 0.00 0.00 176.83 177.71 1hbm h ILE 85 N 0.18 1.01 -0.46 2.23 2.04 -1.25 -1.48 117.51 119.78 1hbm h ILE 85 Ca 0.03 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1hbm h ILE 85 Cb 0.80 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1hbm h ILE 85 CO 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 178.15 178.22 1hbm h ALA 86 N 1.12 1.06 -0.39 1.87 0.00 -0.87 -0.85 119.26 121.20 1hbm h ALA 86 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1hbm h ALA 86 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1hbm h ALA 86 CO -0.06 0.58 0.13 0.00 0.00 0.00 0.00 179.25 179.90 1hbm h ALA 87 N 1.23 0.51 -0.63 0.00 0.00 -1.21 0.09 119.26 119.25 1hbm h ALA 87 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1hbm h ALA 87 Cb 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1hbm h ALA 87 CO 0.03 0.15 0.38 0.00 0.00 0.00 0.00 179.25 179.80 1hbm h ALA 88 N 0.97 0.82 -0.44 0.00 0.00 -1.06 -2.31 119.26 117.23 1hbm h ALA 88 Ca 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1hbm h ALA 88 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1hbm h ALA 88 CO -0.00 0.12 0.27 0.00 0.00 0.00 0.00 179.25 179.64 1hbm h ALA 89 N 1.28 0.56 -0.91 0.00 0.00 -0.98 -2.82 119.26 116.39 1hbm h ALA 89 Ca 0.25 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1hbm h ALA 89 Cb 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1hbm h ALA 89 CO -0.11 -0.03 0.60 -0.22 0.00 0.00 0.00 179.25 179.48 1hbm h LYS 90 N 0.55 1.06 -0.70 0.00 3.64 -0.71 -1.34 116.57 119.07 1hbm h LYS 90 Ca 0.17 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1hbm h LYS 90 Cb -0.02 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.52 1hbm h LYS 90 CO -0.06 0.70 0.46 0.93 -2.27 0.00 0.00 179.45 179.21 1hbm h GLU 91 N 1.10 0.68 0.15 1.90 5.08 -1.16 -0.86 114.58 121.47 1hbm h GLU 91 Ca 0.38 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.41 1hbm h GLU 91 Cb 0.10 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1hbm h GLU 91 CO -0.13 0.45 -1.28 0.52 -1.00 0.00 0.00 179.01 177.57 1hbm h MET 92 N 0.70 0.36 -0.35 2.33 2.86 -1.27 -3.35 114.93 116.21 1hbm h MET 92 Ca 0.30 -0.59 -0.17 0.00 -2.06 0.00 0.00 59.70 57.19 1hbm h MET 92 Cb 0.29 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1hbm h MET 92 CO -0.10 1.27 -0.44 0.82 1.06 0.00 0.00 176.91 179.53 1hbm h ILE 93 N 0.11 1.27 -4.13 -1.22 2.04 -0.91 -3.45 117.51 111.22 1hbm h ILE 93 Ca -0.16 -1.61 -0.50 0.00 1.00 0.00 0.00 64.86 63.58 1hbm h ILE 93 Cb 1.99 1.46 0.08 0.00 -0.74 0.00 0.00 36.82 39.61 1hbm h ILE 93 CO 0.22 0.54 0.40 0.00 0.00 0.00 0.00 178.15 179.31 1hbm s GLN 94 N -4.31 3.23 -0.20 2.37 -2.07 -0.36 -4.60 119.66 113.73 1hbm s GLN 94 Ca -0.11 1.48 -0.20 0.00 -1.82 0.00 0.00 55.36 54.71 1hbm s GLN 94 Cb 0.11 -2.00 -0.17 0.00 -1.09 0.00 0.00 33.01 29.86 1hbm s GLN 94 CO 0.88 -0.92 0.17 0.28 -1.32 0.00 0.00 175.29 174.38 1hbm h VAL 95 N 0.81 0.80 -3.31 3.63 2.07 -1.89 -3.49 116.25 114.88 1hbm h VAL 95 Ca -0.49 -2.03 -0.35 0.00 0.82 0.00 0.00 66.70 64.65 1hbm h VAL 95 Cb 1.25 1.94 -0.14 0.00 -1.52 0.00 0.00 31.29 32.82 1hbm h VAL 95 CO 0.56 0.27 -0.70 0.42 0.02 0.00 0.00 177.57 178.14 1hbm s THR 96 N -2.34 1.20 0.58 2.57 -4.23 -1.26 -5.05 115.64 107.11 1hbm s THR 96 Ca -0.27 -2.07 0.27 0.00 -1.18 0.00 0.00 61.69 58.44 1hbm s THR 96 Cb 0.05 -1.97 0.35 0.00 1.34 0.00 0.00 72.50 72.26 1hbm s THR 96 CO 0.54 -0.64 2.19 -0.33 -0.54 0.00 0.00 174.62 175.85 1hbm h GLU 97 N 2.69 0.00 -0.59 3.99 5.08 -1.99 -2.66 114.58 121.10 1hbm h GLU 97 Ca -0.37 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.75 1hbm h GLU 97 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 1hbm h GLU 97 CO 0.64 0.00 0.20 -3.47 -1.00 0.00 0.00 179.01 175.38 1hbm n ASP 98 N -3.95 3.61 -2.00 1.42 2.03 -1.26 -5.01 116.55 111.39 1hbm n ASP 98 Ca -0.01 -3.48 0.00 0.00 0.52 0.00 0.00 54.79 51.82 1hbm n ASP 98 Cb 0.16 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1hbm n ASP 98 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1hbm n ASP 99 N -0.79 0.00 -1.43 1.67 3.85 -1.00 -4.98 116.55 113.87 1hbm n ASP 99 Ca 0.40 -1.00 -0.02 0.00 -0.71 0.00 0.00 54.79 53.46 1hbm n ASP 99 Cb 1.26 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 41.22 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 -3.00 3.61 -4.74 -1.12 5.75 -1.26 -4.91 116.55 110.88 1hbm n ASP 100 Ca 0.00 -2.66 -0.42 0.00 -0.01 0.00 0.00 54.79 51.70 1hbm n ASP 100 Cb 0.00 -0.64 -0.02 0.00 -1.03 0.00 0.00 41.12 39.43 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 -1.96 2.28 -0.05 2.12 2.01 -1.26 -4.66 115.64 114.12 1hbm s THR 101 Ca 0.31 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1hbm s THR 101 Cb 0.25 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1hbm s THR 101 CO 0.08 0.03 -0.09 0.20 -0.69 0.00 0.00 174.62 174.16 1hbm s ASN 102 N 0.57 1.33 -0.12 3.53 0.01 -0.63 -4.98 114.94 114.65 1hbm s ASN 102 Ca 0.64 -0.21 -0.02 0.00 -0.71 0.00 0.00 52.86 52.55 1hbm s ASN 102 Cb -0.46 -0.58 0.04 0.00 0.41 0.00 0.00 41.25 40.66 1hbm s ASN 102 CO 0.44 0.01 0.02 -0.69 -1.51 0.00 0.00 177.10 175.37 1hbm s VAL 103 N 0.65 0.36 -0.08 1.60 1.01 -1.26 -0.08 120.40 122.60 1hbm s VAL 103 Ca -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1hbm s VAL 103 Cb -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1hbm s VAL 103 CO 0.02 0.06 -0.05 -0.70 0.00 0.00 0.00 175.10 174.43 1hbm s GLU 104 N 1.96 1.04 0.33 2.72 2.12 0.12 -4.98 118.70 122.02 1hbm s GLU 104 Ca 0.03 -0.11 -0.27 0.00 0.36 0.00 0.00 54.97 54.98 1hbm s GLU 104 Cb -0.14 -1.16 -0.09 0.00 0.26 0.00 0.00 34.13 33.00 1hbm s GLU 104 CO -0.06 -0.20 1.06 -0.51 -0.54 0.00 0.00 175.26 175.01 1hbm s LEU 105 N 1.47 4.36 0.12 2.70 1.43 -1.26 -0.67 118.68 126.84 1hbm s LEU 105 Ca -0.01 2.13 0.05 0.00 -1.03 0.00 0.00 54.13 55.26 1hbm s LEU 105 Cb -0.13 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 1hbm s LEU 105 CO -0.04 -0.28 -0.12 -0.76 0.23 0.00 0.00 176.35 175.39 1hbm s LEU 106 N -1.99 2.44 -1.30 1.79 1.43 0.33 -4.85 118.68 116.53 1hbm s LEU 106 Ca 0.50 -0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1hbm s LEU 106 Cb -0.27 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1hbm s LEU 106 CO 0.34 -0.24 0.34 0.61 0.23 0.00 0.00 176.35 177.63 1hbm n GLY 107 N 0.34 -0.29 2.25 -3.19 0.00 -1.26 -2.04 105.19 101.00 1hbm n GLY 107 Ca -0.14 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.27 0.11 0.43 -0.02 0.00 -1.26 -2.68 105.19 100.50 1hbm n GLY 108 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.09 0.54 0.23 -0.02 0.00 -0.87 -4.94 105.19 99.04 1hbm n GLY 109 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 3.68 0.04 -5.30 1.61 1.57 -1.36 -3.43 116.57 113.37 1hbm h LYS 110 Ca 0.00 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.38 1hbm h LYS 110 Cb 0.00 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 32.16 1hbm h LYS 110 CO 0.00 0.18 -0.72 1.03 -0.57 0.00 0.00 179.45 179.38 1hbm s ARG 111 N -4.73 1.22 -0.01 3.15 3.00 -0.95 -1.36 118.95 119.27 1hbm s ARG 111 Ca -0.04 -1.54 0.01 0.00 0.00 0.00 0.00 55.73 54.15 1hbm s ARG 111 Cb 0.16 -0.86 0.01 0.00 0.00 0.00 0.00 34.95 34.26 1hbm s ARG 111 CO 0.70 0.11 -0.02 0.00 0.00 0.00 0.00 175.30 176.09 1hbm s ALA 112 N -3.17 0.24 -0.15 2.13 0.00 -0.34 -0.51 121.76 119.95 1hbm s ALA 112 Ca 0.21 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 1hbm s ALA 112 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1hbm s ALA 112 CO 0.04 0.02 0.52 -1.17 0.00 0.00 0.00 175.76 175.18 1hbm s LEU 113 N 0.21 4.22 -0.06 0.00 0.20 0.15 -1.23 118.68 122.16 1hbm s LEU 113 Ca -0.02 0.79 0.03 0.00 0.69 0.00 0.00 54.13 55.63 1hbm s LEU 113 Cb -0.04 -2.75 0.00 0.00 -0.43 0.00 0.00 46.19 42.97 1hbm s LEU 113 CO -0.01 -0.10 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.10 1hbm s VAL 114 N 1.15 1.37 -0.24 1.68 1.01 -0.28 -0.71 120.40 124.38 1hbm s VAL 114 Ca 0.26 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1hbm s VAL 114 Cb -0.15 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 35.08 1hbm s VAL 114 CO 0.11 0.40 -0.08 -1.10 0.00 0.00 0.00 175.10 174.43 1hbm s GLN 115 N 0.37 1.84 0.40 2.72 -0.21 0.88 -0.54 119.66 125.11 1hbm s GLN 115 Ca -0.11 -1.07 -0.25 0.00 0.02 0.00 0.00 55.36 53.95 1hbm s GLN 115 Cb -0.14 -2.65 -0.09 0.00 1.00 0.00 0.00 33.01 31.13 1hbm s GLN 115 CO 0.04 -0.57 1.14 0.08 -2.12 0.00 0.00 175.29 173.86 1hbm s VAL 116 N 1.31 3.28 0.35 1.09 1.01 -0.33 -1.61 120.40 125.51 1hbm s VAL 116 Ca -0.06 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 1hbm s VAL 116 Cb -0.19 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1hbm s VAL 116 CO -0.06 0.09 1.35 -2.16 0.00 0.00 0.00 175.10 174.32 1hbm s PRO 117 N -2.30 4.25 0.42 2.72 0.04 -1.26 -4.83 135.00 134.03 1hbm s PRO 117 Ca 0.57 2.30 0.14 0.00 0.04 0.00 0.00 61.00 64.05 1hbm s PRO 117 Cb -0.29 -3.01 1.01 0.00 0.04 0.00 0.00 34.50 32.26 1hbm s PRO 117 CO 0.36 -0.31 1.93 0.77 0.04 0.00 0.00 177.00 179.79 1hbm h SER 118 N 3.20 0.42 -0.70 6.66 0.02 -1.93 -2.03 113.55 119.19 1hbm h SER 118 Ca -0.49 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.56 1hbm h SER 118 Cb 1.23 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1hbm h SER 118 CO 0.65 0.23 0.46 0.00 -1.14 0.00 0.00 176.83 177.02 1hbm h ALA 119 N 1.65 1.83 -0.19 3.77 0.00 -2.00 -0.80 119.26 123.53 1hbm h ALA 119 Ca 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1hbm h ALA 119 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1hbm h ALA 119 CO -0.12 0.03 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 1hbm h ARG 120 N 0.62 0.28 0.00 0.00 3.08 -1.74 -2.93 114.38 113.70 1hbm h ARG 120 Ca 0.32 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 1hbm h ARG 120 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1hbm h ARG 120 CO -0.11 0.36 -0.49 0.74 -1.07 0.00 0.00 179.97 179.40 1hbm h PHE 121 N 0.27 0.00 0.00 3.04 -1.00 -1.27 -3.16 116.94 114.82 1hbm h PHE 121 Ca 0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1hbm h PHE 121 Cb 0.29 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 1hbm h PHE 121 CO 0.01 0.32 -0.07 -0.44 -1.61 0.00 0.00 178.31 176.52 1hbm h ASP 122 N 0.00 0.00 0.00 2.17 3.45 -1.20 -2.42 116.42 118.42 1hbm h ASP 122 Ca -0.02 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 1hbm h ASP 122 Cb 1.26 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.01 1hbm h ASP 122 CO 0.04 0.07 -0.43 0.55 -1.57 0.00 0.00 179.24 177.89 1hbm n VAL 123 N -3.28 2.02 -4.27 -1.35 3.14 -1.22 -5.03 118.33 108.33 1hbm n VAL 123 Ca -0.01 -2.92 -0.30 0.00 -2.96 0.00 0.00 64.34 58.15 1hbm n VAL 123 Cb 0.27 -0.17 -0.11 0.00 -1.06 0.00 0.00 33.84 32.77 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 -2.98 2.84 0.17 1.55 0.00 -0.91 -5.04 121.76 117.38 1hbm s ALA 124 Ca 0.36 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1hbm s ALA 124 Cb 0.35 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1hbm s ALA 124 CO -0.06 0.62 1.46 0.00 0.00 0.00 0.00 175.76 177.78 1hbm h ALA 125 N 3.70 0.60 -3.00 0.00 0.00 -1.93 -3.49 119.26 115.14 1hbm h ALA 125 Ca -0.49 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1hbm h ALA 125 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1hbm h ALA 125 CO 0.50 0.70 0.00 -0.85 0.00 0.00 0.00 179.25 179.59 1hbm n GLU 126 N -3.95 0.00 0.00 0.00 -0.00 -1.26 -5.10 120.64 110.33 1hbm n GLU 126 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 1hbm n GLU 126 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.08 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 0.45 -1.84 0.18 -1.26 -4.78 117.16 109.91 1hbm n TYR 127 Ca 0.00 -0.03 0.11 0.00 1.88 0.00 0.00 57.90 59.86 1hbm n TYR 127 Cb 0.00 -0.00 0.46 0.00 -0.38 0.00 0.00 39.34 39.41 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 -0.03 0.55 0.15 9.48 7.64 -1.26 -2.12 113.62 128.04 1hbm n SER 128 Ca 0.00 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.63 1hbm n SER 128 Cb 0.13 -0.75 0.65 0.00 -1.01 0.00 0.00 64.21 63.23 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 2.35 2.17 0.41 -0.43 0.00 -1.93 -2.39 119.26 119.44 1hbm h ALA 129 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1hbm h ALA 129 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1hbm h ALA 129 CO 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 179.25 178.62 1hbm h ALA 130 N 1.89 -1.08 -0.31 0.00 0.00 -1.68 0.22 119.26 118.31 1hbm h ALA 130 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1hbm h ALA 130 Cb 0.37 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1hbm h ALA 130 CO -0.00 -1.10 -0.20 -1.00 0.00 0.00 0.00 179.25 176.95 1hbm h PRO 131 N -0.80 0.57 0.11 0.00 0.13 -1.77 -2.28 132.00 127.96 1hbm h PRO 131 Ca -0.05 -0.20 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 1hbm h PRO 131 Cb 0.69 -0.04 0.03 0.00 0.13 0.00 0.00 31.00 31.81 1hbm h PRO 131 CO -0.05 0.74 -1.23 -0.07 -0.23 0.00 0.00 178.00 177.17 1hbm h LEU 132 N 0.51 0.88 -0.25 1.56 3.38 -1.40 0.41 115.31 120.41 1hbm h LEU 132 Ca 0.08 -0.82 -0.04 0.00 0.09 0.00 0.00 57.88 57.19 1hbm h LEU 132 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1hbm h LEU 132 CO 0.05 1.61 -0.02 0.58 0.09 0.00 0.00 178.44 180.75 1hbm h VAL 133 N 0.28 1.27 -0.43 1.22 2.07 -1.01 -2.48 116.25 117.17 1hbm h VAL 133 Ca -0.18 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1hbm h VAL 133 Cb 1.90 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1hbm h VAL 133 CO 0.24 0.30 0.27 0.74 0.02 0.00 0.00 177.57 179.13 1hbm h THR 134 N 0.21 1.07 -0.46 2.57 2.02 -1.42 -1.98 112.91 114.93 1hbm h THR 134 Ca 0.07 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1hbm h THR 134 Cb 0.45 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1hbm h THR 134 CO 0.02 0.10 0.19 0.00 0.37 0.00 0.00 175.52 176.19 1hbm h ALA 135 N 1.17 0.59 -0.10 6.16 0.00 -0.91 -2.31 119.26 123.86 1hbm h ALA 135 Ca 0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1hbm h ALA 135 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1hbm h ALA 135 CO -0.06 0.19 -0.60 0.00 0.00 0.00 0.00 179.25 178.78 1hbm h THR 136 N 0.59 1.36 -0.92 0.00 1.03 -1.37 -0.44 112.91 113.17 1hbm h THR 136 Ca 0.15 -1.93 0.00 0.00 -0.01 0.00 0.00 66.41 64.62 1hbm h THR 136 Cb 0.18 1.94 -0.05 0.00 -1.07 0.00 0.00 68.15 69.16 1hbm h THR 136 CO -0.01 0.58 0.59 0.00 -0.01 0.00 0.00 175.52 176.66 1hbm h ALA 137 N 1.10 1.17 -0.03 0.00 0.00 -1.28 -0.36 119.26 119.86 1hbm h ALA 137 Ca -0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1hbm h ALA 137 Cb 1.12 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1hbm h ALA 137 CO 0.10 0.60 -0.79 0.74 0.00 0.00 0.00 179.25 179.90 1hbm h PHE 138 N 1.26 0.40 -0.13 0.00 -1.00 -1.25 -0.01 116.94 116.21 1hbm h PHE 138 Ca 0.33 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1hbm h PHE 138 Cb -0.10 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1hbm h PHE 138 CO -0.00 0.96 0.05 0.28 -1.61 0.00 0.00 178.31 177.99 1hbm h VAL 139 N 0.18 1.15 -0.53 -0.55 2.07 -0.79 -0.98 116.25 116.81 1hbm h VAL 139 Ca -0.04 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1hbm h VAL 139 Cb 1.37 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1hbm h VAL 139 CO 0.13 0.14 0.12 1.56 0.02 0.00 0.00 177.57 179.54 1hbm h GLN 140 N 0.06 0.85 -0.83 1.57 4.20 -1.07 -2.04 115.11 117.85 1hbm h GLN 140 Ca 0.04 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1hbm h GLN 140 Cb 0.17 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1hbm h GLN 140 CO -0.00 0.81 0.41 0.00 -0.67 0.00 0.00 178.83 179.37 1hbm h ALA 141 N 1.00 1.16 -0.25 3.87 0.00 -0.85 -0.92 119.26 123.27 1hbm h ALA 141 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1hbm h ALA 141 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hbm h ALA 141 CO 0.00 0.65 -0.02 0.82 0.00 0.00 0.00 179.25 180.70 1hbm h ILE 142 N 1.18 1.27 -0.30 0.00 2.04 -1.01 0.13 117.51 120.82 1hbm h ILE 142 Ca 0.29 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1hbm h ILE 142 Cb 0.10 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1hbm h ILE 142 CO -0.04 0.30 0.12 0.40 0.00 0.00 0.00 178.15 178.93 1hbm h ILE 143 N 0.22 0.94 -0.34 -0.67 2.04 -1.13 -2.79 117.51 115.78 1hbm h ILE 143 Ca 0.07 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1hbm h ILE 143 Cb 0.46 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1hbm h ILE 143 CO 0.02 0.05 -0.12 0.78 0.00 0.00 0.00 178.15 178.88 1hbm h ASN 144 N 0.26 0.57 -0.60 1.72 2.35 -1.07 -0.73 115.58 118.07 1hbm h ASN 144 Ca 0.13 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1hbm h ASN 144 Cb 0.08 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1hbm h ASN 144 CO -0.12 0.72 0.37 -0.08 -1.65 0.00 0.00 177.43 176.67 1hbm h GLU 145 N 0.54 0.81 -0.42 0.81 4.57 -0.71 -3.20 114.58 116.98 1hbm h GLU 145 Ca 0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1hbm h GLU 145 Cb 0.52 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1hbm h GLU 145 CO 0.03 0.58 0.00 1.19 -1.18 0.00 0.00 179.01 179.63 1hbm n PHE 146 N -4.63 0.56 -3.87 0.92 3.01 -1.08 -4.98 117.46 107.40 1hbm n PHE 146 Ca 0.04 -0.46 -0.26 0.00 1.01 0.00 0.00 57.45 57.79 1hbm n PHE 146 Cb 0.05 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 0.85 -1.21 -4.75 4.37 2.03 -0.40 -4.90 116.55 112.54 1hbm n ASP 147 Ca 0.15 -0.98 -0.41 0.00 0.52 0.00 0.00 54.79 54.07 1hbm n ASP 147 Cb 0.47 -3.28 -0.03 0.00 -0.72 0.00 0.00 41.12 37.57 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 -3.83 2.86 0.87 5.18 1.01 -0.49 -4.96 120.40 121.04 1hbm s VAL 148 Ca 0.07 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 1hbm s VAL 148 Cb -0.03 -3.48 0.11 0.00 0.00 0.00 0.00 36.38 32.99 1hbm s VAL 148 CO 0.87 0.13 1.09 -0.94 0.00 0.00 0.00 175.10 176.25 1hbm s SER 149 N 0.16 3.63 0.41 3.32 1.04 -1.26 -4.77 113.70 116.24 1hbm s SER 149 Ca 0.56 1.67 0.08 0.00 0.48 0.00 0.00 55.95 58.75 1hbm s SER 149 Cb -0.39 -2.33 0.89 0.00 0.10 0.00 0.00 66.02 64.28 1hbm s SER 149 CO 0.44 -2.57 2.04 -0.03 0.98 0.00 0.00 173.24 174.10 1hbm h MET 150 N -1.50 0.52 -0.07 4.02 4.05 -2.01 -1.31 114.93 118.63 1hbm h MET 150 Ca -0.47 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 58.82 1hbm h MET 150 Cb 1.27 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1hbm h MET 150 CO 0.52 0.34 -0.37 1.88 0.23 0.00 0.00 176.91 179.51 1hbm h TYR 151 N 0.53 0.16 0.00 1.39 -1.99 -2.02 -3.32 116.97 111.72 1hbm h TYR 151 Ca 0.18 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1hbm h TYR 151 Cb 0.05 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1hbm h TYR 151 CO -0.00 0.50 -0.82 -0.25 -0.00 0.00 0.00 178.16 177.59 1hbm n ASP 152 N -4.07 0.80 0.15 3.88 8.00 -0.82 -4.68 116.55 119.81 1hbm n ASP 152 Ca -0.01 -0.73 0.03 0.00 0.71 0.00 0.00 54.79 54.78 1hbm n ASP 152 Cb 0.43 1.09 0.40 0.00 -0.02 0.00 0.00 41.12 43.03 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 1.96 1.52 -0.33 2.24 0.00 -1.36 -1.92 119.26 121.37 1hbm h ALA 153 Ca 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1hbm h ALA 153 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hbm h ALA 153 CO 0.00 0.35 0.27 -2.95 0.00 0.00 0.00 179.25 176.92 1hbm h ASN 154 N 0.15 0.00 -0.09 0.00 7.08 -1.83 -0.43 115.58 120.46 1hbm h ASN 154 Ca 0.03 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.17 1hbm h ASN 154 Cb 0.41 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 -0.16 0.24 -2.08 0.00 0.00 177.43 175.46 1hbm h MET 155 N 0.00 0.45 -0.59 4.14 2.86 -1.69 -1.69 114.93 118.42 1hbm h MET 155 Ca 0.15 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1hbm h MET 155 Cb 0.70 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1hbm h MET 155 CO -0.00 0.60 0.05 0.28 1.06 0.00 0.00 176.91 178.90 1hbm h VAL 156 N 0.42 1.26 -0.48 -2.22 2.07 -1.22 -0.71 116.25 115.37 1hbm h VAL 156 Ca 0.07 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1hbm h VAL 156 Cb 0.52 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1hbm h VAL 156 CO 0.03 0.39 0.28 0.50 0.02 0.00 0.00 177.57 178.79 1hbm h LYS 157 N 0.90 0.66 -0.66 1.57 1.63 -1.30 -1.51 116.57 117.85 1hbm h LYS 157 Ca 0.17 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1hbm h LYS 157 Cb 0.48 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1hbm h LYS 157 CO 0.02 0.49 0.19 0.00 -3.45 0.00 0.00 179.45 176.70 1hbm h ALA 158 N 1.13 0.87 -0.63 5.00 0.00 -1.12 -0.85 119.26 123.67 1hbm h ALA 158 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1hbm h ALA 158 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1hbm h ALA 158 CO -0.03 0.56 0.34 0.00 0.00 0.00 0.00 179.25 180.13 1hbm h ALA 159 N 1.08 1.42 0.00 0.00 0.00 -0.78 0.29 119.26 121.27 1hbm h ALA 159 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1hbm h ALA 159 Cb 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1hbm h ALA 159 CO -0.00 0.48 -0.07 0.28 0.00 0.00 0.00 179.25 179.93 1hbm h VAL 160 N 0.87 1.45 -0.01 0.00 2.07 -0.93 -3.30 116.25 116.40 1hbm h VAL 160 Ca 0.22 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1hbm h VAL 160 Cb 0.02 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1hbm h VAL 160 CO -0.04 0.49 -0.06 -0.11 0.02 0.00 0.00 177.57 177.88 1hbm n LEU 161 N -4.63 1.42 0.00 2.57 7.94 -0.35 -1.32 117.00 122.62 1hbm n LEU 161 Ca -0.10 -0.91 0.00 0.00 -1.11 0.00 0.00 56.01 53.89 1hbm n LEU 161 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1hbm n LEU 161 CO 0.28 0.29 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 1hbm n GLY 162 N 0.57 -0.05 0.07 -3.96 0.00 0.09 -4.00 105.19 97.91 1hbm n GLY 162 Ca 0.04 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 2.44 0.79 -1.60 1.61 0.63 0.17 -4.58 116.66 116.12 1hbm n ARG 163 Ca 0.00 -0.15 -0.44 0.00 -0.92 0.00 0.00 57.85 56.35 1hbm n ARG 163 Cb 0.00 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.38 1hbm n ARG 163 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1hbm n TYR 164 N -0.98 2.03 -0.28 -0.14 9.36 -1.25 -1.39 117.16 124.51 1hbm n TYR 164 Ca 0.18 -0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1hbm n TYR 164 Cb 0.22 -2.73 0.00 0.00 -0.63 0.00 0.00 39.34 36.20 1hbm n TYR 164 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1hbm n PRO 165 N 8.51 -0.38 -0.06 2.98 -0.04 -1.26 -4.89 135.00 139.85 1hbm n PRO 165 Ca 0.29 -0.46 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1hbm n PRO 165 Cb 0.43 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.32 -6.96 0.54 5.75 -1.61 -3.41 115.11 109.74 1hbm h GLN 166 Ca 0.00 -0.04 -0.48 0.00 -0.15 0.00 0.00 58.65 57.97 1hbm h GLN 166 Cb 0.20 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1hbm h GLN 166 CO 0.00 0.32 0.21 -1.54 -2.65 0.00 0.00 178.83 175.17 1hbm s SER 167 N -5.55 6.61 0.15 -0.69 1.04 -1.02 -5.00 113.70 109.25 1hbm s SER 167 Ca -0.13 1.33 -0.08 0.00 0.48 0.00 0.00 55.95 57.55 1hbm s SER 167 Cb 0.08 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1hbm s SER 167 CO 0.71 -0.43 1.45 0.58 0.98 0.00 0.00 173.24 176.52 1hbm h VAL 168 N 1.19 1.30 -2.94 5.02 2.07 -1.92 -3.38 116.25 117.58 1hbm h VAL 168 Ca -0.47 -1.77 -0.45 0.00 0.82 0.00 0.00 66.70 64.83 1hbm h VAL 168 Cb 1.18 1.70 0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1hbm h VAL 168 CO 0.63 0.56 0.08 -1.61 0.02 0.00 0.00 177.57 177.26 1hbm s GLU 169 N -4.06 2.29 -1.47 1.57 2.02 -1.26 -4.98 118.70 112.82 1hbm s GLU 169 Ca -0.09 -0.62 -0.14 0.00 0.02 0.00 0.00 54.97 54.14 1hbm s GLU 169 Cb 0.11 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 32.00 1hbm s GLU 169 CO 0.87 -1.01 2.34 0.66 0.02 0.00 0.00 175.26 178.14 1hbm n TYR 170 N -2.63 3.31 -2.30 1.61 0.53 -1.26 -3.91 117.16 112.51 1hbm n TYR 170 Ca 0.09 -2.96 -0.43 0.00 -1.02 0.00 0.00 57.90 53.57 1hbm n TYR 170 Cb 0.60 -2.52 -0.02 0.00 -1.03 0.00 0.00 39.34 36.36 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 3.08 3.74 0.00 -0.72 1.75 -1.26 -1.74 119.30 124.16 1hbm s MET 171 Ca 0.51 1.26 0.00 0.00 -1.25 0.00 0.00 55.69 56.21 1hbm s MET 171 Cb 0.15 -3.98 0.00 0.00 2.84 0.00 0.00 34.83 33.84 1hbm s MET 171 CO -0.08 -1.35 0.00 0.41 -0.65 0.00 0.00 175.02 173.35 1hbm n GLY 172 N 4.70 0.76 3.74 2.11 0.00 -1.26 -0.66 105.19 114.59 1hbm n GLY 172 Ca 0.17 0.00 -0.36 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 -2.31 2.40 -0.34 4.61 0.00 -0.71 -4.43 121.76 120.98 1hbm s ALA 173 Ca 0.00 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1hbm s ALA 173 Cb 0.00 -3.48 0.56 0.00 0.00 0.00 0.00 23.12 20.20 1hbm s ALA 173 CO 0.00 -1.44 1.60 0.09 0.00 0.00 0.00 175.76 176.01 1hbm n ASN 174 N -1.96 2.87 -4.34 0.00 3.02 -0.44 -4.94 115.26 109.46 1hbm n ASN 174 Ca 0.14 -3.75 -0.21 0.00 -0.03 0.00 0.00 54.58 50.73 1hbm n ASN 174 Cb 0.49 -0.70 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.29 1.81 0.00 2.41 -4.36 -1.25 -1.29 121.20 115.23 1hbm s ILE 175 Ca 0.49 -2.01 -0.10 0.00 -0.26 0.00 0.00 60.65 58.76 1hbm s ILE 175 Cb 0.43 -1.91 0.01 0.00 1.25 0.00 0.00 42.46 42.24 1hbm s ILE 175 CO 0.03 -0.39 0.20 0.00 0.24 0.00 0.00 174.94 175.02 1hbm s ALA 176 N -2.31 -0.48 0.15 2.27 0.00 -0.22 -4.99 121.76 116.18 1hbm s ALA 176 Ca 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1hbm s ALA 176 Cb -0.04 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1hbm s ALA 176 CO 0.07 -0.25 -0.02 0.95 0.00 0.00 0.00 175.76 176.51 1hbm s THR 177 N -1.57 0.69 0.09 0.00 -4.23 -1.26 -1.03 115.64 108.34 1hbm s THR 177 Ca -0.13 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.36 1hbm s THR 177 Cb -0.06 -2.01 -0.26 0.00 1.34 0.00 0.00 72.50 71.51 1hbm s THR 177 CO 0.02 -0.58 1.18 0.24 -0.54 0.00 0.00 174.62 174.94 1hbm h MET 178 N 2.76 0.30 -7.48 3.99 2.86 -1.87 -3.45 114.93 112.05 1hbm h MET 178 Ca -0.36 -0.46 -0.48 0.00 -2.06 0.00 0.00 59.70 56.33 1hbm h MET 178 Cb 1.19 0.16 0.10 0.00 0.06 0.00 0.00 31.60 33.12 1hbm h MET 178 CO 0.63 1.19 0.36 -0.51 1.06 0.00 0.00 176.91 179.65 1hbm s LEU 179 N -7.29 2.56 0.36 1.22 1.02 -1.26 -4.40 118.68 110.89 1hbm s LEU 179 Ca -0.04 1.10 0.04 0.00 0.02 0.00 0.00 54.13 55.25 1hbm s LEU 179 Cb 0.07 -3.69 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 1hbm s LEU 179 CO 0.88 -1.89 0.06 -0.62 0.02 0.00 0.00 176.35 174.80 1hbm s ASP 180 N -4.17 2.66 0.78 2.29 -1.08 -1.25 -5.04 116.67 110.86 1hbm s ASP 180 Ca 0.61 -1.44 -0.14 0.00 -0.52 0.00 0.00 52.55 51.06 1hbm s ASP 180 Cb -0.13 0.02 0.07 0.00 -1.46 0.00 0.00 42.92 41.42 1hbm s ASP 180 CO 0.52 -0.66 1.20 0.27 0.52 0.00 0.00 175.17 177.02 1hbm s ILE 181 N -3.21 2.22 0.31 4.11 -4.36 -1.26 -4.90 121.20 114.10 1hbm s ILE 181 Ca 0.33 0.10 0.27 0.00 -0.26 0.00 0.00 60.65 61.08 1hbm s ILE 181 Cb 0.07 -2.55 0.28 0.00 1.25 0.00 0.00 42.46 41.51 1hbm s ILE 181 CO 0.15 -0.07 1.98 1.55 0.24 0.00 0.00 174.94 178.80 1hbm h PRO 182 N -0.71 0.00 0.00 0.37 0.13 -2.00 -1.95 132.00 127.83 1hbm h PRO 182 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1hbm h PRO 182 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1hbm h PRO 182 CO 0.48 0.15 -0.18 1.96 -0.23 0.00 0.00 178.00 180.18 1hbm h GLN 183 N 0.00 0.00 -0.01 0.86 7.50 -1.99 -3.02 115.11 118.46 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 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1hbm h GLN 183 CO 0.02 0.18 -0.05 1.63 -1.50 0.00 0.00 178.83 179.11 1hbm n LYS 184 N -3.53 1.01 -1.69 1.46 5.02 -0.73 -4.90 118.16 114.79 1hbm n LYS 184 Ca -0.01 -0.34 -0.44 0.00 -2.02 0.00 0.00 58.31 55.50 1hbm n LYS 184 Cb 0.33 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.70 3.37 0.16 -0.35 4.32 -1.14 -4.91 117.00 117.75 1hbm n LEU 185 Ca 0.18 1.13 0.02 0.00 -0.02 0.00 0.00 56.01 57.32 1hbm n LEU 185 Cb 0.25 -1.46 0.27 0.00 -1.62 0.00 0.00 43.42 40.85 1hbm n LEU 185 CO 0.20 -0.31 0.60 -0.33 -1.22 0.00 0.00 177.39 176.34 1hbm h GLU 186 N 4.69 0.00 -3.45 3.23 4.39 -1.91 -3.46 114.58 118.07 1hbm h GLU 186 Ca -0.45 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.22 1hbm h GLU 186 Cb 1.26 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.84 1hbm h GLU 186 CO 0.79 0.49 -0.00 0.20 -1.16 0.00 0.00 179.01 179.33 1hbm s GLY 187 N -4.40 0.39 0.37 -3.84 0.00 -1.26 -5.11 107.32 93.47 1hbm s GLY 187 Ca -0.01 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 43.69 1hbm s GLY 187 CO 0.73 -0.47 1.32 -1.05 0.00 0.00 0.00 173.10 173.63 1hbm n PRO 188 N -0.42 2.19 -0.53 2.90 -0.02 -1.26 -2.71 135.00 135.15 1hbm n PRO 188 Ca -0.02 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1hbm n PRO 188 Cb 0.61 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.72 0.75 0.89 -1.23 0.00 -1.26 -4.83 105.19 100.22 1hbm n GLY 189 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.26 0.16 -0.07 1.61 4.02 -1.10 -4.30 117.16 115.22 1hbm n TYR 190 Ca 0.00 -0.08 -0.05 0.00 -0.01 0.00 0.00 57.90 57.76 1hbm n TYR 190 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.47 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 4.53 1.05 0.00 -0.72 0.00 -1.93 0.40 119.26 122.59 1hbm h ALA 191 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1hbm h ALA 191 Cb 0.86 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1hbm h ALA 191 CO 0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1hbm n LEU 192 N -4.17 0.35 0.13 0.00 4.77 -1.26 -1.95 117.00 114.87 1hbm n LEU 192 Ca 0.01 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 1hbm n LEU 192 Cb 0.35 -0.48 0.24 0.00 -2.33 0.00 0.00 43.42 41.20 1hbm n LEU 192 CO 0.42 -0.26 0.66 0.03 -1.33 0.00 0.00 177.39 176.91 1hbm h ARG 193 N 0.00 0.00 -2.61 3.23 3.08 -1.20 -3.41 114.38 113.47 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 0.44 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.26 1hbm h ARG 193 CO 0.00 0.00 1.33 -1.71 -1.07 0.00 0.00 179.97 178.52 1hbm n ASN 194 N -2.54 7.05 -3.83 7.04 5.15 -0.82 -1.88 115.26 125.43 1hbm n ASN 194 Ca 0.04 -3.46 -0.28 0.00 -0.60 0.00 0.00 54.58 50.28 1hbm n ASN 194 Cb 0.48 -1.26 -0.16 0.00 -0.53 0.00 0.00 39.78 38.30 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 -2.90 0.91 0.37 -1.44 1.01 -1.26 -3.85 121.20 114.05 1hbm s ILE 195 Ca 0.40 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 60.11 1hbm s ILE 195 Cb 0.14 -1.23 -0.11 0.00 0.01 0.00 0.00 42.46 41.27 1hbm s ILE 195 CO -0.05 -0.03 1.47 0.80 0.00 0.00 0.00 174.94 177.13 1hbm n MET 196 N 4.92 2.63 -0.27 2.79 1.56 -1.26 -4.68 117.12 122.81 1hbm n MET 196 Ca -0.10 0.92 0.05 0.00 -0.27 0.00 0.00 57.70 58.30 1hbm n MET 196 Cb 0.47 -2.64 0.19 0.00 2.15 0.00 0.00 33.22 33.39 1hbm n MET 196 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1hbm h VAL 197 N 2.91 0.74 -0.31 1.12 2.07 -1.25 0.68 116.25 122.22 1hbm h VAL 197 Ca -0.50 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1hbm h VAL 197 Cb 1.25 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1hbm h VAL 197 CO 0.64 0.11 0.21 0.78 0.02 0.00 0.00 177.57 179.32 1hbm h ASN 198 N 0.58 0.18 -0.38 0.57 2.35 -1.47 -1.70 115.58 115.70 1hbm h ASN 198 Ca 0.42 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.01 1hbm h ASN 198 Cb 0.57 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1hbm h ASN 198 CO -0.35 0.12 -0.37 0.45 -1.65 0.00 0.00 177.43 175.63 1hbm h HIS 199 N 0.21 1.12 -0.41 1.19 3.86 -1.16 0.16 115.15 120.13 1hbm h HIS 199 Ca 0.13 -0.33 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1hbm h HIS 199 Cb 0.27 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1hbm h HIS 199 CO -0.00 1.16 0.20 0.28 0.86 0.00 0.00 177.93 180.43 1hbm h VAL 200 N 0.77 1.17 -0.54 2.45 2.07 -1.09 -0.97 116.25 120.11 1hbm h VAL 200 Ca 0.07 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1hbm h VAL 200 Cb 0.97 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1hbm h VAL 200 CO 0.09 0.19 -0.02 0.58 0.02 0.00 0.00 177.57 178.43 1hbm h VAL 201 N 0.52 1.26 -0.42 2.57 2.07 -1.28 -2.22 116.25 118.75 1hbm h VAL 201 Ca 0.14 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1hbm h VAL 201 Cb 0.12 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1hbm h VAL 201 CO -0.02 0.40 0.09 0.00 0.02 0.00 0.00 177.57 178.06 1hbm h ALA 202 N 1.11 0.56 -0.11 1.67 0.00 -0.86 -2.03 119.26 119.60 1hbm h ALA 202 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1hbm h ALA 202 Cb 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hbm h ALA 202 CO 0.03 0.25 -0.33 0.00 0.00 0.00 0.00 179.25 179.20 1hbm h ALA 203 N 0.95 1.24 -0.54 0.00 0.00 -1.06 -2.71 119.26 117.13 1hbm h ALA 203 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hbm h ALA 203 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1hbm h ALA 203 CO 0.00 0.52 0.00 0.25 0.00 0.00 0.00 179.25 180.02 1hbm n THR 204 N -4.09 0.79 -3.37 0.00 -2.24 -0.85 -4.21 114.28 100.31 1hbm n THR 204 Ca -0.01 -0.75 -0.24 0.00 -2.27 0.00 0.00 64.05 60.78 1hbm n THR 204 Cb 0.42 0.34 0.03 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.08 -2.41 -0.39 3.22 4.77 -0.91 -2.14 117.00 120.22 1hbm n LEU 205 Ca 0.18 -0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 55.67 1hbm n LEU 205 Cb 0.48 -2.65 -0.02 0.00 -2.33 0.00 0.00 43.42 38.90 1hbm n LEU 205 CO 0.13 0.31 -0.05 0.29 -1.33 0.00 0.00 177.39 176.74 1hbm n LYS 206 N -4.19 -1.33 -2.20 3.23 5.02 -0.81 -4.97 118.16 112.90 1hbm n LYS 206 Ca -0.04 0.59 -0.43 0.00 -2.02 0.00 0.00 58.31 56.41 1hbm n LYS 206 Cb 0.57 -4.70 -0.02 0.00 -0.02 0.00 0.00 35.03 30.86 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 -2.28 6.41 0.10 4.39 3.84 -0.91 -4.68 114.94 121.81 1hbm s ASN 207 Ca 0.00 1.42 -0.23 0.00 0.21 0.00 0.00 52.86 54.26 1hbm s ASN 207 Cb 0.00 -2.53 -0.13 0.00 -0.55 0.00 0.00 41.25 38.04 1hbm s ASN 207 CO 0.00 -1.26 1.73 0.74 -2.79 0.00 0.00 177.10 175.51 1hbm h THR 208 N 6.18 0.94 -0.18 -5.21 2.02 -1.90 0.18 112.91 114.93 1hbm h THR 208 Ca -0.31 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 1hbm h THR 208 Cb 1.14 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1hbm h THR 208 CO 1.02 0.00 -0.45 -0.07 0.37 0.00 0.00 175.52 176.39 1hbm h LEU 209 N -0.04 0.47 -0.36 2.58 3.38 -1.95 -0.75 115.31 118.63 1hbm h LEU 209 Ca 0.01 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1hbm h LEU 209 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1hbm h LEU 209 CO -0.03 0.86 -0.21 1.56 0.09 0.00 0.00 178.44 180.70 1hbm h GLN 210 N 0.35 0.78 -0.33 1.13 1.08 -1.85 -0.60 115.11 115.68 1hbm h GLN 210 Ca 0.02 -0.36 0.04 0.00 -1.45 0.00 0.00 58.65 56.91 1hbm h GLN 210 Cb 0.93 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 1hbm h GLN 210 CO 0.08 0.98 0.10 0.00 -0.95 0.00 0.00 178.83 179.04 1hbm h ALA 211 N 0.78 0.37 -0.83 3.87 0.00 -0.83 0.33 119.26 122.95 1hbm h ALA 211 Ca 0.08 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1hbm h ALA 211 Cb 0.76 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1hbm h ALA 211 CO 0.06 -0.30 0.52 0.00 0.00 0.00 0.00 179.25 179.53 1hbm h ALA 212 N 1.22 1.11 -0.06 0.00 0.00 -1.10 -1.99 119.26 118.45 1hbm h ALA 212 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hbm h ALA 212 Cb 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1hbm h ALA 212 CO -0.16 0.30 0.02 0.00 0.00 0.00 0.00 179.25 179.40 1hbm h ALA 213 N 1.37 0.08 -0.25 0.00 0.00 -0.67 -1.91 119.26 117.88 1hbm h ALA 213 Ca 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1hbm h ALA 213 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1hbm h ALA 213 CO -0.14 -0.32 0.15 1.25 0.00 0.00 0.00 179.25 180.19 1hbm h LEU 214 N -0.09 0.25 -0.85 0.00 5.85 -0.80 -1.37 115.31 118.30 1hbm h LEU 214 Ca 0.02 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1hbm h LEU 214 Cb 0.20 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1hbm h LEU 214 CO -0.00 0.19 0.56 -1.28 -0.34 0.00 0.00 178.44 177.57 1hbm h SER 215 N 0.31 0.96 -0.42 1.25 0.87 -1.40 -1.68 113.55 113.45 1hbm h SER 215 Ca 0.10 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 1hbm h SER 215 Cb -0.02 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1hbm h SER 215 CO -0.04 0.69 -0.22 0.74 -0.53 0.00 0.00 176.83 177.47 1hbm h THR 216 N 1.14 1.28 -0.11 2.23 2.02 -1.06 -0.14 112.91 118.26 1hbm h THR 216 Ca 0.32 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1hbm h THR 216 Cb -0.11 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1hbm h THR 216 CO -0.08 0.46 0.06 0.40 0.37 0.00 0.00 175.52 176.74 1hbm h ILE 217 N 0.70 1.07 -0.28 3.11 2.04 -1.15 0.27 117.51 123.27 1hbm h ILE 217 Ca 0.09 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1hbm h ILE 217 Cb 0.79 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1hbm h ILE 217 CO 0.06 0.06 0.15 -0.07 0.00 0.00 0.00 178.15 178.36 1hbm h LEU 218 N 0.10 0.35 -0.11 1.44 3.38 -1.26 -0.62 115.31 118.59 1hbm h LEU 218 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1hbm h LEU 218 Cb 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1hbm h LEU 218 CO -0.01 0.33 0.04 -0.33 0.09 0.00 0.00 178.44 178.57 1hbm h GLU 219 N 0.33 0.16 0.00 1.13 4.39 -0.92 -1.85 114.58 117.82 1hbm h GLU 219 Ca 0.10 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 1hbm h GLU 219 Cb 0.06 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1hbm h GLU 219 CO -0.02 0.27 -0.60 1.96 -1.16 0.00 0.00 179.01 179.46 1hbm h GLN 220 N 0.02 0.00 -0.46 2.33 1.08 -0.94 -2.18 115.11 114.96 1hbm h GLN 220 Ca 0.04 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1hbm h GLN 220 Cb 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1hbm h GLN 220 CO -0.00 0.60 0.16 1.15 -0.95 0.00 0.00 178.83 179.79 1hbm h THR 221 N 0.00 1.22 -1.00 -0.54 2.02 -1.05 -2.50 112.91 111.06 1hbm h THR 221 Ca -0.01 -0.70 0.13 0.00 0.77 0.00 0.00 66.41 66.61 1hbm h THR 221 Cb 1.09 0.82 -0.09 0.00 -1.74 0.00 0.00 68.15 68.23 1hbm h THR 221 CO 0.08 0.25 0.63 0.00 0.37 0.00 0.00 175.52 176.85 1hbm h ALA 222 N 1.01 1.57 -0.72 6.16 0.00 -1.00 -1.98 119.26 124.29 1hbm h ALA 222 Ca 0.15 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1hbm h ALA 222 Cb 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1hbm h ALA 222 CO -0.01 0.16 0.47 0.52 0.00 0.00 0.00 179.25 180.40 1hbm h MET 223 N 0.94 0.67 -0.34 0.00 2.07 -0.95 0.12 114.93 117.44 1hbm h MET 223 Ca 0.51 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 58.05 1hbm h MET 223 Cb 0.58 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 1hbm h MET 223 CO -0.28 0.44 0.01 0.74 1.07 0.00 0.00 176.91 178.89 1hbm h PHE 224 N 0.69 0.65 -0.44 -0.22 -1.00 -1.19 -1.46 116.94 113.97 1hbm h PHE 224 Ca 0.32 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.95 1hbm h PHE 224 Cb 0.36 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1hbm h PHE 224 CO -0.00 0.70 0.11 1.49 -1.61 0.00 0.00 178.31 179.00 1hbm h GLU 225 N 0.41 0.65 0.00 1.51 4.81 -0.88 -2.25 114.58 118.83 1hbm h GLU 225 Ca 0.10 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1hbm h GLU 225 Cb 0.44 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1hbm h GLU 225 CO 0.02 0.60 0.00 -1.33 -0.73 0.00 0.00 179.01 177.56 1hbm n MET 226 N -4.31 0.14 -0.73 1.92 2.81 0.34 -4.79 117.12 112.50 1hbm n MET 226 Ca 0.03 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1hbm n MET 226 Cb 0.20 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 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 0.63 0.85 0.23 3.03 0.00 -0.85 -4.93 105.19 104.15 1hbm n GLY 227 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 0.17 -0.79 1.61 3.32 -1.52 -2.97 116.42 116.24 1hbm h ASP 228 Ca 0.00 -0.04 -0.45 0.00 0.02 0.00 0.00 57.03 56.56 1hbm h ASP 228 Cb 0.00 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 39.26 1hbm h ASP 228 CO 0.00 0.35 0.58 0.00 -1.72 0.00 0.00 179.24 178.45 1hbm n ALA 229 N -2.49 5.25 -2.78 3.45 0.00 -0.97 -4.62 120.51 118.36 1hbm n ALA 229 Ca -0.01 -2.44 -0.34 0.00 0.00 0.00 0.00 53.44 50.64 1hbm n ALA 229 Cb 0.28 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.00 4.23 0.00 0.00 1.01 -1.12 -4.11 120.40 117.40 1hbm s VAL 230 Ca 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1hbm s VAL 230 Cb 0.39 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1hbm s VAL 230 CO 0.06 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1hbm n GLY 231 N 2.74 2.02 0.36 4.51 0.00 -1.26 -3.83 105.19 109.73 1hbm n GLY 231 Ca -0.18 -0.41 0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.28 2.24 -0.10 4.61 0.00 -1.94 -2.72 119.26 121.06 1hbm h ALA 232 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hbm h ALA 232 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1hbm h ALA 232 CO 0.00 -0.49 0.00 1.19 0.00 0.00 0.00 179.25 179.95 1hbm n PHE 233 N -4.20 0.11 -0.03 0.00 3.01 -1.25 -4.61 117.46 110.50 1hbm n PHE 233 Ca 0.06 -0.06 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1hbm n PHE 233 Cb 0.48 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.90 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 3.87 0.20 -0.77 -1.08 4.81 -1.63 -2.48 114.58 117.50 1hbm h GLU 234 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1hbm h GLU 234 Cb 0.84 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1hbm h GLU 234 CO 0.00 0.23 0.48 -0.09 -0.73 0.00 0.00 179.01 178.90 1hbm h ARG 235 N 0.12 1.04 -0.50 1.92 2.43 -1.81 -1.16 114.38 116.42 1hbm h ARG 235 Ca 0.05 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1hbm h ARG 235 Cb 0.09 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1hbm h ARG 235 CO -0.01 0.73 0.25 1.98 -1.51 0.00 0.00 179.97 181.41 1hbm h MET 236 N 1.05 0.48 -0.56 0.20 4.05 -1.78 -0.14 114.93 118.24 1hbm h MET 236 Ca 0.28 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.57 1hbm h MET 236 Cb -0.06 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 1hbm h MET 236 CO -0.05 0.32 -0.05 0.45 0.23 0.00 0.00 176.91 177.80 1hbm h HIS 237 N 0.50 1.13 -0.42 1.39 3.86 -0.97 -1.53 115.15 119.10 1hbm h HIS 237 Ca 0.22 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1hbm h HIS 237 Cb 0.12 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1hbm h HIS 237 CO -0.10 1.03 0.13 -0.07 0.86 0.00 0.00 177.93 179.78 1hbm h LEU 238 N 0.91 0.62 -1.33 2.43 3.38 -0.98 -1.77 115.31 118.56 1hbm h LEU 238 Ca 0.15 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1hbm h LEU 238 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1hbm h LEU 238 CO 0.04 0.66 -0.08 -0.07 0.09 0.00 0.00 178.44 179.08 1hbm h LEU 239 N 0.55 0.34 -0.07 1.67 3.38 -1.00 -1.73 115.31 118.44 1hbm h LEU 239 Ca 0.14 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1hbm h LEU 239 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1hbm h LEU 239 CO -0.00 0.46 0.04 1.23 0.09 0.00 0.00 178.44 180.25 1hbm h GLY 240 N 0.78 0.11 0.65 0.83 0.00 -1.02 -0.23 103.07 104.19 1hbm h GLY 240 Ca 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1hbm h GLY 240 CO 0.02 0.05 0.17 -2.00 0.00 0.00 0.00 176.54 174.78 1hbm h LEU 241 N 0.02 0.20 0.48 3.11 5.85 -1.05 -1.28 115.31 122.64 1hbm h LEU 241 Ca 0.03 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1hbm h LEU 241 Cb 0.09 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1hbm h LEU 241 CO -0.00 0.15 -0.23 0.00 -0.34 0.00 0.00 178.44 178.02 1hbm h ALA 242 N 1.27 -0.64 0.10 1.25 0.00 -1.16 -2.21 119.26 117.86 1hbm h ALA 242 Ca 0.20 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1hbm h ALA 242 Cb 0.17 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1hbm h ALA 242 CO -0.19 -0.77 -1.29 1.88 0.00 0.00 0.00 179.25 178.88 1hbm h TYR 243 N -0.83 0.40 0.08 0.00 -1.99 -1.05 -2.16 116.97 111.42 1hbm h TYR 243 Ca -0.07 -0.29 -0.31 0.00 2.00 0.00 0.00 58.73 60.06 1hbm h TYR 243 Cb 0.57 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1hbm h TYR 243 CO -0.01 1.26 -1.63 0.37 -0.00 0.00 0.00 178.16 178.15 1hbm h GLN 244 N 0.06 0.17 0.00 4.88 4.15 -1.37 -3.37 115.11 119.63 1hbm h GLN 244 Ca -0.15 -0.30 -0.05 0.00 0.77 0.00 0.00 58.65 58.92 1hbm h GLN 244 Cb 1.96 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.75 1hbm h GLN 244 CO 0.18 0.97 -1.66 0.41 -1.93 0.00 0.00 178.83 176.80 1hbm n GLY 245 N 1.68 -0.60 0.43 2.39 0.00 -0.91 -4.61 105.19 103.57 1hbm n GLY 245 Ca -0.18 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.08 2.62 -4.00 1.61 2.81 -0.88 -3.78 117.12 113.42 1hbm n MET 246 Ca -0.07 -2.20 -0.31 0.00 -1.81 0.00 0.00 57.70 53.32 1hbm n MET 246 Cb 0.48 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.36 -3.43 -4.77 7.83 5.15 -1.19 -4.64 115.26 113.85 1hbm n ASN 247 Ca 0.12 -0.89 -0.41 0.00 -0.60 0.00 0.00 54.58 52.80 1hbm n ASN 247 Cb 0.53 -3.43 -0.01 0.00 -0.53 0.00 0.00 39.78 36.35 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 -3.41 3.59 -1.15 5.20 0.00 -0.84 -1.90 121.76 123.24 1hbm s ALA 248 Ca 0.55 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1hbm s ALA 248 Cb -0.28 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1hbm s ALA 248 CO 0.87 -0.95 0.00 -0.25 0.00 0.00 0.00 175.76 175.43 1hbm n ASP 249 N 0.89 -5.69 -2.09 0.00 8.00 0.36 -2.54 116.55 115.48 1hbm n ASP 249 Ca 0.02 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.62 1hbm n ASP 249 Cb 0.40 -4.14 -0.03 0.00 -0.02 0.00 0.00 41.12 37.32 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 -1.16 -4.71 -0.03 -2.24 5.15 -0.80 -4.91 115.26 106.56 1hbm n ASN 250 Ca -0.11 0.20 -0.13 0.00 -0.60 0.00 0.00 54.58 53.94 1hbm n ASN 250 Cb 0.59 -4.06 -0.09 0.00 -0.53 0.00 0.00 39.78 35.69 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 0.15 -0.08 1.20 5.85 -1.68 -0.21 115.31 120.55 1hbm h LEU 251 Ca -0.37 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 57.85 1hbm h LEU 251 Cb 1.22 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1hbm h LEU 251 CO 0.48 0.64 -0.06 0.58 -0.34 0.00 0.00 178.44 179.74 1hbm h VAL 252 N -0.33 0.82 -0.65 1.05 2.07 -1.82 -1.56 116.25 115.82 1hbm h VAL 252 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1hbm h VAL 252 Cb 0.61 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1hbm h VAL 252 CO 0.02 0.00 0.37 0.15 0.02 0.00 0.00 177.57 178.12 1hbm h PHE 253 N -0.07 0.67 -0.01 1.57 3.57 -1.88 -1.58 116.94 119.21 1hbm h PHE 253 Ca 0.05 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 1hbm h PHE 253 Cb 0.15 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1hbm h PHE 253 CO -0.17 0.33 -0.74 -0.44 -2.23 0.00 0.00 178.31 175.06 1hbm h ASP 254 N 0.68 0.11 -0.19 0.41 3.32 -0.90 -0.42 116.42 119.43 1hbm h ASP 254 Ca 0.29 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 1hbm h ASP 254 Cb 0.16 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1hbm h ASP 254 CO -0.17 0.81 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.64 1hbm h LEU 255 N 0.06 0.82 -0.45 1.55 3.38 -0.90 -1.51 115.31 118.25 1hbm h LEU 255 Ca -0.02 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1hbm h LEU 255 Cb 1.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1hbm h LEU 255 CO 0.10 1.14 0.06 0.58 0.09 0.00 0.00 178.44 180.42 1hbm h VAL 256 N 0.60 1.25 -0.59 1.22 2.07 -1.09 -2.36 116.25 117.36 1hbm h VAL 256 Ca 0.04 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1hbm h VAL 256 Cb 1.02 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1hbm h VAL 256 CO 0.10 0.33 0.31 0.50 0.02 0.00 0.00 177.57 178.83 1hbm h LYS 257 N 0.62 0.58 0.00 1.57 3.64 -0.97 0.89 116.57 122.91 1hbm h LYS 257 Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1hbm h LYS 257 Cb 0.41 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1hbm h LYS 257 CO 0.01 0.38 -0.13 0.00 -2.27 0.00 0.00 179.45 177.44 1hbm h ALA 258 N 1.31 0.98 -0.01 5.00 0.00 -1.20 -3.33 119.26 122.01 1hbm h ALA 258 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hbm h ALA 258 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hbm h ALA 258 CO -0.17 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1hbm n ASN 259 N -3.22 1.45 0.09 0.00 3.02 -0.89 -4.79 115.26 110.90 1hbm n ASN 259 Ca 0.01 -1.41 -0.06 0.00 -0.03 0.00 0.00 54.58 53.09 1hbm n ASN 259 Cb 0.43 -0.01 0.07 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.12 0.21 1.10 7.41 0.00 -0.94 0.13 103.07 111.11 1hbm h GLY 260 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 47.33 46.79 1hbm h GLY 260 CO 0.00 0.27 -0.95 0.50 0.00 0.00 0.00 176.54 176.36 1hbm h LYS 261 N 0.13 0.63 0.00 4.80 1.79 -1.84 -3.40 116.57 118.67 1hbm h LYS 261 Ca -0.02 -0.69 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 1hbm h LYS 261 Cb 1.26 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 1hbm h LYS 261 CO 0.11 1.28 0.00 0.39 -1.08 0.00 0.00 179.45 180.15 1hbm n GLU 262 N -3.94 0.07 -1.93 3.15 1.02 -1.25 -5.13 120.64 112.63 1hbm n GLU 262 Ca -0.11 -0.28 -0.29 0.00 -0.02 0.00 0.00 57.16 56.46 1hbm n GLU 262 Cb 0.84 -0.56 0.09 0.00 -0.02 0.00 0.00 31.44 31.79 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 -0.05 1.61 0.34 0.62 0.00 0.46 -5.10 107.32 105.20 1hbm s GLY 263 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.06 1hbm s GLY 263 CO 0.00 -0.21 0.18 -0.51 0.00 0.00 0.00 173.10 172.56 1hbm s THR 264 N -3.56 0.34 0.17 0.90 -4.23 -1.26 -4.88 115.64 103.11 1hbm s THR 264 Ca 0.62 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 1hbm s THR 264 Cb -0.11 -2.46 0.08 0.00 1.34 0.00 0.00 72.50 71.35 1hbm s THR 264 CO 0.49 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.84 1hbm h VAL 265 N 2.06 0.69 -0.53 2.29 2.07 -1.95 -2.60 116.25 118.28 1hbm h VAL 265 Ca -0.32 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1hbm h VAL 265 Cb 1.25 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1hbm h VAL 265 CO 0.50 0.02 0.35 1.23 0.02 0.00 0.00 177.57 179.69 1hbm h GLY 266 N 0.10 0.74 1.66 2.17 0.00 -1.97 -1.79 103.07 103.98 1hbm h GLY 266 Ca 0.20 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 1hbm h GLY 266 CO -0.34 0.27 -0.76 1.48 0.00 0.00 0.00 176.54 177.19 1hbm h SER 267 N 0.71 0.40 -0.35 0.19 4.64 -1.87 -2.29 113.55 114.98 1hbm h SER 267 Ca 0.20 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1hbm h SER 267 Cb -0.07 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1hbm h SER 267 CO -0.04 1.02 0.17 0.58 -0.87 0.00 0.00 176.83 177.69 1hbm h VAL 268 N 0.22 1.16 -0.40 0.95 2.07 -1.16 -2.28 116.25 116.81 1hbm h VAL 268 Ca -0.03 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1hbm h VAL 268 Cb 1.35 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 1hbm h VAL 268 CO 0.13 0.17 -0.13 0.40 0.02 0.00 0.00 177.57 178.16 1hbm h ILE 269 N 0.43 0.54 -0.67 4.57 2.04 -1.21 -0.75 117.51 122.47 1hbm h ILE 269 Ca 0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1hbm h ILE 269 Cb 0.12 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1hbm h ILE 269 CO -0.02 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.56 1hbm h ALA 270 N 1.33 0.87 -0.62 1.87 0.00 -1.15 -1.52 119.26 120.03 1hbm h ALA 270 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1hbm h ALA 270 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1hbm h ALA 270 CO -0.43 0.21 0.35 -0.44 0.00 0.00 0.00 179.25 178.94 1hbm h ASP 271 N 0.85 0.77 -0.43 0.00 3.32 -1.08 -2.25 116.42 117.60 1hbm h ASP 271 Ca 0.26 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1hbm h ASP 271 Cb -0.02 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1hbm h ASP 271 CO -0.09 0.64 0.04 0.25 -1.72 0.00 0.00 179.24 178.36 1hbm h LEU 272 N 0.85 0.71 -0.44 1.55 7.12 -0.65 -0.68 115.31 123.78 1hbm h LEU 272 Ca 0.22 -0.28 0.04 0.00 0.13 0.00 0.00 57.88 57.98 1hbm h LEU 272 Cb 0.03 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 39.94 1hbm h LEU 272 CO -0.04 0.82 0.21 0.58 -0.13 0.00 0.00 178.44 179.89 1hbm h VAL 273 N 0.59 0.96 -0.40 1.05 2.07 -1.21 -0.09 116.25 119.22 1hbm h VAL 273 Ca 0.13 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1hbm h VAL 273 Cb 0.43 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1hbm h VAL 273 CO 0.01 0.08 0.18 -0.33 0.02 0.00 0.00 177.57 177.53 1hbm h GLU 274 N 0.43 0.36 -0.89 1.57 5.08 -1.20 -1.64 114.58 118.29 1hbm h GLU 274 Ca 0.19 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1hbm h GLU 274 Cb 0.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1hbm h GLU 274 CO -0.14 0.24 0.59 -0.09 -1.00 0.00 0.00 179.01 178.61 1hbm h ARG 275 N 0.37 1.17 -0.67 2.33 9.65 -0.83 -0.56 114.38 125.84 1hbm h ARG 275 Ca 0.18 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 1hbm h ARG 275 Cb 0.11 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 1hbm h ARG 275 CO -0.14 0.78 0.15 0.00 2.80 0.00 0.00 179.97 183.55 1hbm h ALA 276 N 1.32 0.99 -0.23 2.80 0.00 -0.54 -1.44 119.26 122.17 1hbm h ALA 276 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1hbm h ALA 276 Cb -0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1hbm h ALA 276 CO -0.07 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.87 1hbm h LEU 277 N 1.02 0.30 -1.01 0.00 3.38 -1.07 -0.16 115.31 117.78 1hbm h LEU 277 Ca 0.21 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1hbm h LEU 277 Cb 0.38 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1hbm h LEU 277 CO 0.00 0.35 0.66 -0.08 0.09 0.00 0.00 178.44 179.46 1hbm h GLU 278 N 0.24 1.25 -0.00 1.13 4.81 -0.72 -1.95 114.58 119.33 1hbm h GLU 278 Ca 0.08 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hbm h GLU 278 Cb 0.13 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1hbm h GLU 278 CO -0.01 0.83 -0.15 -0.25 -0.73 0.00 0.00 179.01 178.70 1hbm n ASP 279 N -4.43 0.36 0.00 1.04 8.00 -0.58 -4.92 116.55 116.02 1hbm n ASP 279 Ca 0.14 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1hbm n ASP 279 Cb 0.09 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.36 0.60 0.14 0.44 0.00 -0.73 -4.94 105.19 102.07 1hbm n GLY 280 Ca 0.11 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 1.44 -3.17 1.61 2.07 -1.28 -3.45 116.25 113.47 1hbm h VAL 281 Ca 0.00 -2.49 -0.38 0.00 0.82 0.00 0.00 66.70 64.64 1hbm h VAL 281 Cb 0.00 2.41 -0.14 0.00 -1.52 0.00 0.00 31.29 32.03 1hbm h VAL 281 CO 0.00 0.74 -0.71 0.27 0.02 0.00 0.00 177.57 177.89 1hbm s ILE 282 N -3.28 1.34 0.15 4.57 -4.36 -1.18 -4.45 121.20 113.99 1hbm s ILE 282 Ca -0.04 -2.10 -0.16 0.00 -0.26 0.00 0.00 60.65 58.08 1hbm s ILE 282 Cb 0.10 -2.05 0.03 0.00 1.25 0.00 0.00 42.46 41.79 1hbm s ILE 282 CO 0.84 -0.59 0.43 -1.59 0.24 0.00 0.00 174.94 174.28 1hbm s LYS 283 N -3.74 1.16 0.06 0.37 -2.85 -0.40 -4.47 119.74 109.87 1hbm s LYS 283 Ca 0.22 -0.76 -0.31 0.00 -1.00 0.00 0.00 55.97 54.12 1hbm s LYS 283 Cb 0.02 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.21 1hbm s LYS 283 CO 0.05 -0.46 1.35 0.08 0.10 0.00 0.00 175.35 176.46 1hbm s VAL 284 N -3.83 3.62 -0.24 1.79 1.01 -1.26 0.10 120.40 121.59 1hbm s VAL 284 Ca 0.05 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1hbm s VAL 284 Cb 0.01 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.49 1hbm s VAL 284 CO -0.09 0.05 -0.14 1.21 0.00 0.00 0.00 175.10 176.13 1hbm n GLU 285 N 4.50 0.66 -3.74 2.72 2.13 0.72 -4.79 120.64 122.85 1hbm n GLU 285 Ca 0.12 0.14 -0.13 0.00 0.66 0.00 0.00 57.16 57.94 1hbm n GLU 285 Cb 0.44 -1.54 -0.09 0.00 0.27 0.00 0.00 31.44 30.52 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 -2.52 0.57 -0.21 5.31 2.20 -1.06 -5.03 119.74 119.00 1hbm s LYS 286 Ca -0.31 0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.46 1hbm s LYS 286 Cb 0.08 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1hbm s LYS 286 CO 0.64 -0.12 0.08 -1.21 -0.36 0.00 0.00 175.35 174.38 1hbm s GLU 287 N -0.47 3.90 0.00 4.03 0.41 -1.26 -0.52 118.70 124.79 1hbm s GLU 287 Ca -0.06 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.13 1hbm s GLU 287 Cb -0.04 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 1hbm s GLU 287 CO 0.03 0.11 0.00 1.28 -0.49 0.00 0.00 175.26 176.19 1hbm n LEU 288 N 4.04 0.00 -4.57 1.80 4.77 0.28 -4.99 117.00 118.34 1hbm n LEU 288 Ca -0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 1hbm n LEU 288 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1hbm n LEU 288 CO 0.34 0.00 0.91 -0.89 -1.33 0.00 0.00 177.39 176.42 1hbm s THR 289 N 2.26 4.28 -1.48 -5.08 2.01 -1.26 -4.12 115.64 112.25 1hbm s THR 289 Ca 0.00 0.87 -0.03 0.00 0.31 0.00 0.00 61.69 62.84 1hbm s THR 289 Cb 0.00 -4.57 0.03 0.00 0.01 0.00 0.00 72.50 67.97 1hbm s THR 289 CO 0.00 -1.04 0.40 0.47 -0.69 0.00 0.00 174.62 173.76 1hbm n ASP 290 N 7.69 -0.52 -3.61 3.53 10.43 -1.26 -4.94 116.55 127.86 1hbm n ASP 290 Ca 0.08 -1.06 -0.03 0.00 2.57 0.00 0.00 54.79 56.35 1hbm n ASP 290 Cb 0.49 -2.73 -0.05 0.00 1.84 0.00 0.00 41.12 40.67 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 -3.93 -1.09 -0.16 1.24 5.04 -1.26 -5.15 117.35 112.04 1hbm s TYR 291 Ca 0.12 1.99 -0.16 0.00 -2.44 0.00 0.00 57.07 56.58 1hbm s TYR 291 Cb -0.07 0.65 -0.04 0.00 0.35 0.00 0.00 41.96 42.85 1hbm s TYR 291 CO 0.92 -0.54 0.38 0.15 -1.34 0.00 0.00 175.55 175.11 1hbm s LYS 292 N 2.28 4.26 -0.27 4.97 1.02 -1.26 -0.55 119.74 130.18 1hbm s LYS 292 Ca -0.07 0.23 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 1hbm s LYS 292 Cb -0.08 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1hbm s LYS 292 CO -0.19 0.13 0.34 0.08 -0.92 0.00 0.00 175.35 174.79 1hbm s VAL 293 N 0.77 5.20 0.20 3.17 1.01 0.32 -4.80 120.40 126.26 1hbm s VAL 293 Ca 0.20 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 1hbm s VAL 293 Cb -0.14 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1hbm s VAL 293 CO 0.07 0.18 0.57 -0.31 0.00 0.00 0.00 175.10 175.60 1hbm s TYR 294 N 2.00 3.51 0.37 5.22 1.51 -0.56 -0.20 117.35 129.20 1hbm s TYR 294 Ca 0.13 1.00 0.04 0.00 -1.01 0.00 0.00 57.07 57.24 1hbm s TYR 294 Cb -0.16 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.30 1hbm s TYR 294 CO 0.10 0.33 0.07 0.20 -1.11 0.00 0.00 175.55 175.15 1hbm s GLY 295 N -2.03 2.32 -0.07 0.71 0.00 0.11 -4.55 107.32 103.82 1hbm s GLY 295 Ca 0.43 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.32 1hbm s GLY 295 CO 0.20 -1.86 0.31 -1.08 0.00 0.00 0.00 173.10 170.67 1hbm s THR 296 N -3.22 0.03 -2.01 0.90 -1.32 -1.26 -1.27 115.64 107.49 1hbm s THR 296 Ca 0.30 -0.26 0.19 0.00 -1.21 0.00 0.00 61.69 60.72 1hbm s THR 296 Cb 0.06 -0.53 0.56 0.00 -1.51 0.00 0.00 72.50 71.08 1hbm s THR 296 CO 0.14 -0.14 1.46 0.47 -2.21 0.00 0.00 174.62 174.35 1hbm n ASP 297 N 2.06 3.38 -3.13 8.08 8.00 -1.26 -4.67 116.55 129.01 1hbm n ASP 297 Ca -0.17 -2.00 -0.17 0.00 0.71 0.00 0.00 54.79 53.16 1hbm n ASP 297 Cb 0.57 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.01 0.22 0.35 -2.24 -1.08 -1.26 -5.01 116.67 106.64 1hbm s ASP 298 Ca 0.42 -2.43 0.06 0.00 -0.52 0.00 0.00 52.55 50.08 1hbm s ASP 298 Cb 0.22 0.58 0.74 0.00 -1.46 0.00 0.00 42.92 43.00 1hbm s ASP 298 CO 0.29 -0.13 1.91 -0.07 0.52 0.00 0.00 175.17 177.69 1hbm h LEU 299 N 5.47 0.70 -0.87 -1.34 3.38 -1.94 -2.02 115.31 118.69 1hbm h LEU 299 Ca 0.17 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1hbm h LEU 299 Cb 1.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1hbm h LEU 299 CO 0.21 0.41 -0.09 0.00 0.09 0.00 0.00 178.44 179.07 1hbm h ALA 300 N 1.59 1.05 -0.20 1.53 0.00 -1.97 0.12 119.26 121.37 1hbm h ALA 300 Ca 0.38 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1hbm h ALA 300 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hbm h ALA 300 CO -0.15 0.58 -0.57 1.98 0.00 0.00 0.00 179.25 181.09 1hbm h MET 301 N 0.68 0.74 -0.46 0.00 1.85 -1.83 -2.50 114.93 113.42 1hbm h MET 301 Ca 0.12 -0.53 0.06 0.00 -0.61 0.00 0.00 59.70 58.74 1hbm h MET 301 Cb 0.54 0.09 -0.05 0.00 0.43 0.00 0.00 31.60 32.61 1hbm h MET 301 CO 0.03 1.15 0.16 2.35 -0.40 0.00 0.00 176.91 180.20 1hbm h TRP 302 N 0.46 0.28 -0.75 1.39 2.91 -1.18 -0.98 115.95 118.08 1hbm h TRP 302 Ca -0.01 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.07 1hbm h TRP 302 Cb 1.19 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.73 1hbm h TRP 302 CO 0.09 0.10 0.46 -0.97 -1.03 0.00 0.00 178.44 177.09 1hbm h ASN 303 N 0.33 0.75 -0.21 2.65 -1.24 -0.95 0.26 115.58 117.17 1hbm h ASN 303 Ca 0.22 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1hbm h ASN 303 Cb 0.22 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1hbm h ASN 303 CO -0.22 0.51 0.10 0.00 -1.29 0.00 0.00 177.43 176.53 1hbm h ALA 304 N 1.33 0.27 -0.30 1.57 0.00 -0.98 0.60 119.26 121.75 1hbm h ALA 304 Ca 0.31 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1hbm h ALA 304 Cb 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1hbm h ALA 304 CO -0.13 -0.17 0.14 1.88 0.00 0.00 0.00 179.25 180.97 1hbm h TYR 305 N 0.21 0.27 -1.00 0.00 -1.99 -0.95 -0.79 116.97 112.73 1hbm h TYR 305 Ca 0.07 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.82 1hbm h TYR 305 Cb 0.11 -0.08 -0.05 0.00 2.00 0.00 0.00 36.73 38.72 1hbm h TYR 305 CO -0.03 0.14 0.66 0.00 -0.00 0.00 0.00 178.16 178.94 1hbm h ALA 306 N 1.16 1.29 -0.69 3.88 0.00 -0.78 -1.48 119.26 122.64 1hbm h ALA 306 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1hbm h ALA 306 Cb 0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1hbm h ALA 306 CO -0.09 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.05 1hbm h ALA 307 N 1.38 1.10 -0.56 0.00 0.00 -0.36 -0.29 119.26 120.53 1hbm h ALA 307 Ca 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1hbm h ALA 307 Cb -0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 1hbm h ALA 307 CO -0.08 0.62 0.32 0.00 0.00 0.00 0.00 179.25 180.11 1hbm h ALA 308 N 1.23 0.71 -0.58 0.00 0.00 -0.64 -2.30 119.26 117.68 1hbm h ALA 308 Ca 0.23 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1hbm h ALA 308 Cb 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1hbm h ALA 308 CO -0.01 0.21 0.29 0.78 0.00 0.00 0.00 179.25 180.51 1hbm h GLY 309 N 0.75 0.83 0.68 0.00 0.00 -0.81 -1.96 103.07 102.54 1hbm h GLY 309 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1hbm h GLY 309 CO -0.03 0.10 0.14 -2.00 0.00 0.00 0.00 176.54 174.75 1hbm h LEU 310 N 0.54 0.16 -0.33 3.11 5.85 -0.77 0.14 115.31 124.00 1hbm h LEU 310 Ca 0.26 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1hbm h LEU 310 Cb 0.20 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1hbm h LEU 310 CO -0.20 0.13 0.12 -0.03 -0.34 0.00 0.00 178.44 178.12 1hbm h MET 311 N 0.30 0.26 -0.64 1.25 4.05 -1.22 -1.52 114.93 117.42 1hbm h MET 311 Ca 0.18 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1hbm h MET 311 Cb 0.15 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1hbm h MET 311 CO -0.17 0.17 0.32 0.00 0.23 0.00 0.00 176.91 177.46 1hbm h ALA 312 N 1.21 0.82 -1.01 0.39 0.00 -1.14 -1.62 119.26 117.91 1hbm h ALA 312 Ca 0.15 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1hbm h ALA 312 Cb 0.12 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1hbm h ALA 312 CO -0.15 0.36 0.65 0.00 0.00 0.00 0.00 179.25 180.12 1hbm h ALA 313 N 1.15 1.38 -0.41 0.00 0.00 -0.56 0.65 119.26 121.46 1hbm h ALA 313 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1hbm h ALA 313 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1hbm h ALA 313 CO -0.03 0.49 0.23 1.15 0.00 0.00 0.00 179.25 181.09 1hbm h THR 314 N 1.22 1.15 -0.76 0.00 2.02 -0.80 -0.35 112.91 115.39 1hbm h THR 314 Ca 0.42 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1hbm h THR 314 Cb 0.11 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1hbm h THR 314 CO -0.16 0.16 0.44 0.24 0.37 0.00 0.00 175.52 176.57 1hbm h MET 315 N 0.54 1.05 -0.20 6.66 2.86 -0.70 -0.30 114.93 124.84 1hbm h MET 315 Ca 0.15 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1hbm h MET 315 Cb 0.05 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 1hbm h MET 315 CO -0.02 0.76 -0.14 0.28 1.06 0.00 0.00 176.91 178.85 1hbm h VAL 316 N 1.05 1.32 0.14 -2.22 2.07 -0.79 -0.81 116.25 117.01 1hbm h VAL 316 Ca 0.27 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1hbm h VAL 316 Cb 0.00 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1hbm h VAL 316 CO -0.05 0.38 -0.07 -1.13 0.02 0.00 0.00 177.57 176.72 1hbm h ASN 317 N 0.12 -0.16 0.70 0.57 -1.24 -0.86 -1.63 115.58 113.08 1hbm h ASN 317 Ca 0.04 -0.33 -0.11 0.00 0.71 0.00 0.00 56.30 56.60 1hbm h ASN 317 Cb 0.65 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.73 1hbm h ASN 317 CO 0.04 0.43 -0.54 1.56 -1.29 0.00 0.00 177.43 177.62 1hbm h GLN 318 N -0.94 0.00 -0.66 6.67 7.50 -1.22 -2.79 115.11 123.68 1hbm h GLN 318 Ca -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 1hbm h GLN 318 Cb 0.48 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.98 1hbm h GLN 318 CO 0.03 0.54 0.38 0.78 -1.50 0.00 0.00 178.83 179.06 1hbm h GLY 319 N 1.94 0.96 1.26 3.46 0.00 -1.19 0.12 103.07 109.62 1hbm h GLY 319 Ca -0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1hbm h GLY 319 CO 0.07 0.40 -0.11 0.00 0.00 0.00 0.00 176.54 176.90 1hbm h ALA 320 N 1.19 0.91 0.00 3.60 0.00 -1.08 -2.44 119.26 121.44 1hbm h ALA 320 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hbm h ALA 320 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1hbm h ALA 320 CO -0.04 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1hbm h ALA 321 N 1.09 1.00 -6.63 0.00 0.00 -1.43 -3.47 119.26 109.82 1hbm h ALA 321 Ca 0.13 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 1hbm h ALA 321 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.26 1hbm h ALA 321 CO 0.04 0.00 -0.83 0.54 0.00 0.00 0.00 179.25 179.01 1hbm n ARG 322 N -2.85 -3.64 -3.66 0.00 5.12 0.01 -4.94 116.66 106.70 1hbm n ARG 322 Ca 0.03 0.42 -0.09 0.00 -1.93 0.00 0.00 57.85 56.28 1hbm n ARG 322 Cb 0.40 -5.11 -0.10 0.00 -1.16 0.00 0.00 32.46 26.49 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 -3.37 -1.07 -0.23 7.54 0.00 -1.10 -1.79 121.76 121.74 1hbm s ALA 323 Ca 0.64 1.42 0.20 0.00 0.00 0.00 0.00 51.96 54.22 1hbm s ALA 323 Cb -0.34 -1.26 0.34 0.00 0.00 0.00 0.00 23.12 21.85 1hbm s ALA 323 CO 0.90 -0.72 1.58 0.00 0.00 0.00 0.00 175.76 177.53 1hbm h ALA 324 N 8.14 0.86 -0.93 0.00 0.00 -1.85 -3.37 119.26 122.11 1hbm h ALA 324 Ca -0.16 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.72 1hbm h ALA 324 Cb 1.11 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1hbm h ALA 324 CO 0.13 0.30 0.60 -0.56 0.00 0.00 0.00 179.25 179.72 1hbm h GLN 325 N 0.00 0.53 0.00 0.00 3.07 -1.97 -1.47 115.11 115.27 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 1.11 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.56 1hbm h GLN 325 CO 0.03 0.35 0.00 0.41 0.09 0.00 0.00 178.83 179.71 1hbm n GLY 326 N -1.46 -0.85 0.35 0.06 0.00 -1.26 -3.05 105.19 98.99 1hbm n GLY 326 Ca 0.20 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 0.82 -0.43 1.61 3.04 -1.56 -0.27 116.25 119.45 1hbm h VAL 327 Ca 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 1hbm h VAL 327 Cb 0.17 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 1hbm h VAL 327 CO 0.00 0.02 0.16 0.77 -1.01 0.00 0.00 177.57 177.51 1hbm h SER 328 N 0.10 0.61 -0.22 3.17 4.64 -1.79 -1.08 113.55 118.97 1hbm h SER 328 Ca 0.22 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1hbm h SER 328 Cb 0.73 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1hbm h SER 328 CO -0.02 0.63 0.11 -1.28 -0.87 0.00 0.00 176.83 175.39 1hbm h SER 329 N 0.55 0.16 -0.48 4.97 0.87 -1.49 -2.84 113.55 115.29 1hbm h SER 329 Ca 0.14 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1hbm h SER 329 Cb 0.22 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1hbm h SER 329 CO -0.01 0.13 0.25 0.74 -0.53 0.00 0.00 176.83 177.40 1hbm h THR 330 N 0.24 0.96 -0.51 2.23 2.02 -0.95 0.27 112.91 117.18 1hbm h THR 330 Ca 0.09 -0.17 0.08 0.00 0.77 0.00 0.00 66.41 67.19 1hbm h THR 330 Cb 0.02 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1hbm h THR 330 CO -0.06 0.09 0.34 -0.07 0.37 0.00 0.00 175.52 176.19 1hbm h LEU 331 N 0.48 0.30 0.05 2.58 3.38 -1.17 -1.05 115.31 119.89 1hbm h LEU 331 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1hbm h LEU 331 Cb 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1hbm h LEU 331 CO -0.15 0.19 -0.03 0.25 0.09 0.00 0.00 178.44 178.80 1hbm h LEU 332 N 0.34 -0.06 -0.47 1.67 6.46 -1.04 -3.37 115.31 118.84 1hbm h LEU 332 Ca 0.23 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.92 1hbm h LEU 332 Cb 0.46 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1hbm h LEU 332 CO -0.05 0.24 -0.36 1.88 -0.62 0.00 0.00 178.44 179.53 1hbm h TYR 333 N -0.64 0.00 -0.45 1.25 -1.99 -0.97 -1.27 116.97 112.89 1hbm h TYR 333 Ca -0.01 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.81 1hbm h TYR 333 Cb 0.05 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.71 1hbm h TYR 333 CO 0.01 0.36 -0.03 -0.92 -0.00 0.00 0.00 178.16 177.58 1hbm h TYR 334 N 0.00 -0.08 -0.15 4.88 3.20 -1.39 0.64 116.97 124.07 1hbm h TYR 334 Ca -0.00 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.69 1hbm h TYR 334 Cb 1.09 0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.48 1hbm h TYR 334 CO 0.00 -0.12 -0.74 -0.91 -1.64 0.00 0.00 178.16 174.75 1hbm h ASN 335 N 0.08 0.92 0.26 -2.11 2.35 -1.60 -2.33 115.58 113.15 1hbm h ASN 335 Ca 0.23 -0.63 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 1hbm h ASN 335 Cb 0.34 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1hbm h ASN 335 CO -0.40 1.39 -0.14 -0.78 -1.65 0.00 0.00 177.43 175.85 1hbm h ASP 336 N 0.50 -0.33 -0.44 5.81 1.82 -1.12 -2.80 116.42 119.85 1hbm h ASP 336 Ca -0.05 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1hbm h ASP 336 Cb 1.37 0.09 -0.04 0.00 0.68 0.00 0.00 39.33 41.43 1hbm h ASP 336 CO 0.15 -0.23 0.21 -0.07 -1.61 0.00 0.00 179.24 177.69 1hbm h LEU 337 N -0.37 0.29 -1.59 2.28 3.38 -0.96 -2.99 115.31 115.35 1hbm h LEU 337 Ca -0.03 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1hbm h LEU 337 Cb 0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1hbm h LEU 337 CO 0.05 0.21 -0.20 -0.29 0.09 0.00 0.00 178.44 178.30 1hbm h ILE 338 N 0.42 1.15 -0.39 1.22 2.10 -1.36 -0.33 117.51 120.32 1hbm h ILE 338 Ca 0.19 -0.69 -0.08 0.00 1.08 0.00 0.00 64.86 65.37 1hbm h ILE 338 Cb 0.12 1.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 1hbm h ILE 338 CO -0.15 0.20 -0.05 -0.33 -1.08 0.00 0.00 178.15 176.74 1hbm h GLU 339 N 0.01 0.72 0.00 2.19 5.08 -1.35 -2.52 114.58 118.71 1hbm h GLU 339 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1hbm h GLU 339 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1hbm h GLU 339 CO 0.03 0.84 0.00 0.74 -1.00 0.00 0.00 179.01 179.62 1hbm h PHE 340 N 0.53 0.00 0.00 4.33 -1.00 -1.40 -0.28 116.94 119.13 1hbm h PHE 340 Ca 0.10 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.77 1hbm h PHE 340 Cb 0.55 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1hbm h PHE 340 CO 0.04 0.00 -0.53 1.49 -1.61 0.00 0.00 178.31 177.71 1hbm h GLU 341 N 0.00 0.00 0.00 1.51 4.57 -0.95 -3.41 114.58 116.29 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 0.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1hbm h GLU 341 CO 0.00 0.53 -0.69 0.25 -1.18 0.00 0.00 179.01 177.91 1hbm n THR 342 N -3.91 0.00 -0.78 0.32 -2.24 -0.96 -4.97 114.28 101.73 1hbm n THR 342 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1hbm n THR 342 Cb 0.54 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 2.38 0.65 3.67 3.38 0.00 -0.13 -1.50 105.19 113.64 1hbm n GLY 343 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 3.34 0.46 0.99 1.43 -1.26 -4.83 118.68 118.81 1hbm s LEU 344 Ca 0.00 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 1hbm s LEU 344 Cb 0.00 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1hbm s LEU 344 CO 0.00 0.12 1.27 -2.16 0.23 0.00 0.00 176.35 175.81 1hbm s PRO 345 N -2.74 3.66 0.58 1.29 0.04 -1.26 -4.33 135.00 132.24 1hbm s PRO 345 Ca 0.27 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.25 1hbm s PRO 345 Cb -0.10 -2.49 0.14 0.00 0.04 0.00 0.00 34.50 32.09 1hbm s PRO 345 CO 0.18 -0.71 0.61 -1.13 0.04 0.00 0.00 177.00 175.99 1hbm n SER 346 N -0.41 -0.91 -4.72 6.66 3.41 -1.26 -4.86 113.62 111.53 1hbm n SER 346 Ca 0.07 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1hbm n SER 346 Cb 0.46 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.21 2.88 -1.30 -3.33 1.01 -1.26 -1.64 120.40 114.55 1hbm s VAL 347 Ca 0.37 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1hbm s VAL 347 Cb -0.03 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1hbm s VAL 347 CO 0.28 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.76 1hbm n ASP 348 N 3.76 -4.51 -3.87 3.32 2.03 -1.26 -3.25 116.55 112.77 1hbm n ASP 348 Ca 0.12 0.04 -0.30 0.00 0.52 0.00 0.00 54.79 55.17 1hbm n ASP 348 Cb 0.40 -3.61 0.02 0.00 -0.72 0.00 0.00 41.12 37.21 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 -3.82 -2.24 0.00 -0.67 3.01 -0.65 -1.28 117.46 111.80 1hbm n PHE 349 Ca -0.17 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.15 1hbm n PHE 349 Cb 0.61 -3.87 0.00 0.00 -0.01 0.00 0.00 39.48 36.21 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 -1.64 2.18 0.19 1.37 0.00 -1.22 -4.90 105.19 101.16 1hbm n GLY 350 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 3.20 0.00 -0.13 1.61 1.57 -1.30 -1.13 116.57 120.39 1hbm h LYS 351 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1hbm h LYS 351 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hbm h LYS 351 CO 0.00 0.38 -0.03 0.28 -0.57 0.00 0.00 179.45 179.51 1hbm h VAL 352 N 0.00 1.29 -0.32 0.50 2.07 -1.78 -1.46 116.25 116.55 1hbm h VAL 352 Ca -0.00 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1hbm h VAL 352 Cb 0.80 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.18 1hbm h VAL 352 CO 0.05 0.28 -0.18 -0.08 0.02 0.00 0.00 177.57 177.66 1hbm h GLU 353 N -0.07 -0.14 -0.29 1.57 4.81 -1.66 0.05 114.58 118.86 1hbm h GLU 353 Ca 0.03 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1hbm h GLU 353 Cb 0.46 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1hbm h GLU 353 CO 0.01 -0.09 0.13 0.78 -0.73 0.00 0.00 179.01 179.11 1hbm h GLY 354 N -0.14 0.38 0.45 1.92 0.00 -1.22 -0.84 103.07 103.61 1hbm h GLY 354 Ca 0.17 -0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.53 1hbm h GLY 354 CO -0.41 0.06 0.57 -0.84 0.00 0.00 0.00 176.54 175.92 1hbm h THR 355 N 0.27 0.89 -0.38 4.70 2.02 -0.88 -2.39 112.91 117.14 1hbm h THR 355 Ca 0.12 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1hbm h THR 355 Cb 0.06 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1hbm h THR 355 CO -0.10 0.16 -0.15 0.00 0.37 0.00 0.00 175.52 175.80 1hbm h ALA 356 N 1.52 1.02 0.18 6.16 0.00 -0.31 0.11 119.26 127.95 1hbm h ALA 356 Ca 0.47 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1hbm h ALA 356 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1hbm h ALA 356 CO -0.27 0.59 -0.30 0.28 0.00 0.00 0.00 179.25 179.54 1hbm h VAL 357 N 0.63 0.36 -0.25 0.00 2.07 -0.66 0.20 116.25 118.59 1hbm h VAL 357 Ca 0.10 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.48 1hbm h VAL 357 Cb 0.61 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1hbm h VAL 357 CO 0.04 0.00 -0.43 1.23 0.02 0.00 0.00 177.57 178.43 1hbm h GLY 358 N -0.56 0.68 0.99 2.17 0.00 -1.34 -2.42 103.07 102.58 1hbm h GLY 358 Ca 0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1hbm h GLY 358 CO -0.14 0.63 0.31 -2.75 0.00 0.00 0.00 176.54 174.59 1hbm h PHE 359 N 0.50 0.87 -0.06 5.60 -0.00 -0.71 -0.23 116.94 122.91 1hbm h PHE 359 Ca 0.04 -0.04 0.04 0.00 -0.00 0.00 0.00 57.97 58.01 1hbm h PHE 359 Cb 0.95 -0.27 -0.05 0.00 -0.00 0.00 0.00 35.95 36.58 1hbm h PHE 359 CO 0.04 0.65 -0.27 0.77 -0.00 0.00 0.00 178.31 179.51 1hbm h SER 360 N 0.84 -0.81 -0.27 0.41 0.02 -0.45 -1.60 113.55 111.70 1hbm h SER 360 Ca 0.21 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 1hbm h SER 360 Cb 0.09 0.34 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 1hbm h SER 360 CO -0.03 -0.32 -0.11 0.15 -1.14 0.00 0.00 176.83 175.38 1hbm h PHE 361 N -0.37 -0.25 -0.14 3.45 3.57 -1.25 -2.31 116.94 119.63 1hbm h PHE 361 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1hbm h PHE 361 Cb 0.49 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1hbm h PHE 361 CO -0.33 -0.17 0.00 1.19 -2.23 0.00 0.00 178.31 176.77 1hbm n PHE 362 N -5.28 0.46 -0.32 0.41 3.01 -0.12 -2.37 117.46 113.26 1hbm n PHE 362 Ca -0.01 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1hbm n PHE 362 Cb 0.19 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 0.13 1.39 -1.63 4.37 3.41 -0.61 -1.80 113.62 118.88 1hbm n SER 363 Ca 0.07 -1.71 0.02 0.00 -0.26 0.00 0.00 58.87 56.99 1hbm n SER 363 Cb 0.43 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.11 -4.09 7.33 8.25 -1.00 -4.85 115.22 120.62 1hbm n HIS 364 Ca 0.00 -0.73 -0.11 0.00 -0.26 0.00 0.00 57.72 56.62 1hbm n HIS 364 Cb 0.33 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 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 -2.08 0.25 0.05 0.41 1.04 -1.04 -5.00 113.70 107.34 1hbm s SER 365 Ca 0.28 -1.22 0.27 0.00 0.48 0.00 0.00 55.95 55.77 1hbm s SER 365 Cb 0.33 0.54 1.09 0.00 0.10 0.00 0.00 66.02 68.08 1hbm s SER 365 CO -0.13 -1.08 1.85 2.30 0.98 0.00 0.00 173.24 177.16 1hbm n ILE 366 N -0.39 0.23 0.38 -1.02 -5.35 -1.26 -4.41 119.36 107.54 1hbm n ILE 366 Ca 0.00 -0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.57 1hbm n ILE 366 Cb 0.63 -0.58 0.08 0.00 -1.74 0.00 0.00 39.64 38.04 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 -3.50 116.97 113.81 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 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 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 1.28 -0.49 7.00 3.88 0.00 -1.26 -5.14 105.19 110.45 1hbm n GLY 368 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 3.80 0.00 -0.02 0.00 -1.25 -4.67 105.19 103.05 1hbm n GLY 369 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.00 3.66 -0.02 0.00 -0.74 -5.03 105.19 103.05 1hbm n GLY 370 Ca 0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 1.57 0.48 -0.02 0.00 -1.26 -4.25 107.32 103.85 1hbm s GLY 371 Ca 0.00 -0.28 0.20 0.00 0.00 0.00 0.00 44.72 44.64 1hbm s GLY 371 CO 0.00 0.33 1.97 -2.55 0.00 0.00 0.00 173.10 172.85 1hbm h PRO 372 N -1.96 0.19 0.00 2.90 0.11 -1.93 -2.72 132.00 128.60 1hbm h PRO 372 Ca -0.55 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1hbm h PRO 372 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1hbm h PRO 372 CO 0.56 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1hbm n GLY 373 N -1.58 -1.55 0.29 -0.55 0.00 -1.26 -2.92 105.19 97.62 1hbm n GLY 373 Ca 0.11 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1hbm n GLY 373 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hbm n ILE 374 N -2.24 0.00 -2.00 -0.61 -6.64 -1.02 -1.29 119.36 105.56 1hbm n ILE 374 Ca 0.04 -0.15 -0.29 0.00 -1.77 0.00 0.00 62.75 60.58 1hbm n ILE 374 Cb 0.36 0.55 0.16 0.00 -1.44 0.00 0.00 39.64 39.26 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 -2.49 1.89 -0.09 4.28 0.40 -1.15 -4.77 117.98 116.04 1hbm s PHE 375 Ca 0.24 0.34 -0.33 0.00 -0.60 0.00 0.00 56.93 56.58 1hbm s PHE 375 Cb 0.19 -3.86 0.14 0.00 0.51 0.00 0.00 43.02 39.99 1hbm s PHE 375 CO 0.53 -2.35 1.34 0.54 0.70 0.00 0.00 175.22 175.97 1hbm s ASN 376 N -4.81 -0.04 0.26 1.36 2.20 -1.26 -1.37 114.94 111.28 1hbm s ASN 376 Ca 0.71 -0.06 0.24 0.00 -0.94 0.00 0.00 52.86 52.80 1hbm s ASN 376 Cb -0.05 0.09 0.97 0.00 -2.00 0.00 0.00 41.25 40.26 1hbm s ASN 376 CO 0.51 -0.17 1.72 0.61 -2.94 0.00 0.00 177.10 176.83 1hbm n GLY 377 N -0.40 -1.32 0.18 0.45 0.00 -0.79 -1.96 105.19 101.36 1hbm n GLY 377 Ca -0.07 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1hbm n GLY 377 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hbm n ASN 378 N -2.25 1.09 -4.77 1.61 5.15 -0.98 -3.91 115.26 111.20 1hbm n ASN 378 Ca 0.02 -0.87 -0.39 0.00 -0.60 0.00 0.00 54.58 52.74 1hbm n ASN 378 Cb 0.25 0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 39.91 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 -2.74 3.04 0.44 1.20 2.46 -0.83 -4.65 115.29 114.20 1hbm s HIS 379 Ca 0.16 1.50 0.09 0.00 0.47 0.00 0.00 55.06 57.28 1hbm s HIS 379 Cb 0.18 -3.52 0.97 0.00 -0.13 0.00 0.00 32.58 30.08 1hbm s HIS 379 CO 0.66 -1.58 2.08 0.97 -2.47 0.00 0.00 174.74 174.40 1hbm h ILE 380 N 2.56 1.08 -0.14 0.89 6.09 -1.93 -2.21 117.51 123.85 1hbm h ILE 380 Ca -0.49 -0.14 -0.13 0.00 -1.37 0.00 0.00 64.86 62.73 1hbm h ILE 380 Cb 1.23 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 39.14 1hbm h ILE 380 CO 0.63 0.08 -0.48 0.58 -3.07 0.00 0.00 178.15 175.88 1hbm h VAL 381 N 0.41 1.33 -0.03 2.19 2.07 -1.93 -3.36 116.25 116.94 1hbm h VAL 381 Ca 0.11 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1hbm h VAL 381 Cb -0.04 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1hbm h VAL 381 CO -0.02 0.52 -0.02 0.35 0.02 0.00 0.00 177.57 178.41 1hbm n THR 382 N -3.97 1.95 0.96 2.57 -2.24 -0.88 -4.50 114.28 108.18 1hbm n THR 382 Ca -0.02 -2.28 0.13 0.00 -2.27 0.00 0.00 64.05 59.61 1hbm n THR 382 Cb 0.55 -0.24 0.39 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.33 0.02 -0.08 -0.78 1.85 -0.91 -4.54 116.66 110.90 1hbm n ARG 383 Ca 0.17 0.01 -0.14 0.00 -1.00 0.00 0.00 57.85 56.89 1hbm n ARG 383 Cb 0.67 -1.52 -0.05 0.00 -1.05 0.00 0.00 32.46 30.51 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 0.90 -3.84 2.89 -0.00 -1.86 -3.42 115.15 109.81 1hbm h HIS 384 Ca 0.00 -0.31 -0.50 0.00 -0.00 0.00 0.00 60.37 59.57 1hbm h HIS 384 Cb 0.52 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1hbm h HIS 384 CO 0.00 1.08 0.45 0.45 -0.00 0.00 0.00 177.93 179.91 1hbm s SER 385 N -6.69 7.16 -1.28 2.45 0.15 -1.26 -4.93 113.70 109.31 1hbm s SER 385 Ca -0.12 2.18 -0.07 0.00 0.70 0.00 0.00 55.95 58.64 1hbm s SER 385 Cb 0.09 -2.61 0.16 0.00 -1.71 0.00 0.00 66.02 61.94 1hbm s SER 385 CO 0.85 -0.21 2.08 0.29 1.20 0.00 0.00 173.24 177.44 1hbm n LYS 386 N 0.87 4.16 0.00 5.44 4.76 -1.26 -4.50 118.16 127.62 1hbm n LYS 386 Ca 0.00 -3.59 0.00 0.00 -2.87 0.00 0.00 58.31 51.85 1hbm n LYS 386 Cb 0.46 -2.76 0.00 0.00 -1.84 0.00 0.00 35.03 30.90 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 2.15 0.51 0.85 0.72 0.00 -1.26 -4.92 105.19 103.24 1hbm n GLY 387 Ca 0.49 0.00 0.10 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 -1.62 0.05 -0.06 1.61 3.01 -1.26 -4.59 117.46 114.59 1hbm n PHE 388 Ca 0.00 -0.03 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 1hbm n PHE 388 Cb 0.00 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.18 1.76 -0.28 4.37 0.00 -1.26 -4.74 120.51 121.54 1hbm n ALA 389 Ca 0.13 -0.60 0.10 0.00 0.00 0.00 0.00 53.44 53.07 1hbm n ALA 389 Cb 0.52 0.19 0.34 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.63 0.89 -0.52 0.00 1.08 -1.89 -2.02 117.51 114.42 1hbm h ILE 390 Ca -0.21 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1hbm h ILE 390 Cb 0.98 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 1hbm h ILE 390 CO -0.12 0.14 0.35 -0.65 -0.69 0.00 0.00 178.15 177.18 1hbm h PRO 391 N 0.78 0.68 -0.53 2.37 0.11 -1.86 -0.15 132.00 133.41 1hbm h PRO 391 Ca 0.44 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.48 1hbm h PRO 391 Cb 0.59 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1hbm h PRO 391 CO -0.20 0.45 0.19 0.00 -0.21 0.00 0.00 178.00 178.24 1hbm h VAL 393 N 0.75 1.24 -0.35 0.00 2.07 -1.01 -1.11 116.25 117.84 1hbm h VAL 393 Ca 0.18 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1hbm h VAL 393 Cb 0.17 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1hbm h VAL 393 CO -0.01 0.30 0.13 0.00 0.02 0.00 0.00 177.57 178.00 1hbm h ALA 394 N 1.01 0.41 -0.50 1.67 0.00 -1.22 -1.36 119.26 119.26 1hbm h ALA 394 Ca 0.16 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1hbm h ALA 394 Cb 0.31 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1hbm h ALA 394 CO -0.00 -0.26 0.21 0.00 0.00 0.00 0.00 179.25 179.20 1hbm h ALA 395 N 1.22 0.63 -0.32 0.00 0.00 -1.16 -1.39 119.26 118.23 1hbm h ALA 395 Ca 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1hbm h ALA 395 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1hbm h ALA 395 CO -0.15 -0.16 0.20 0.00 0.00 0.00 0.00 179.25 179.14 1hbm h ALA 396 N 1.31 0.41 -0.11 0.00 0.00 -0.92 -2.09 119.26 117.86 1hbm h ALA 396 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1hbm h ALA 396 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1hbm h ALA 396 CO -0.20 -0.10 -0.23 0.52 0.00 0.00 0.00 179.25 179.24 1hbm h MET 397 N 0.42 0.18 -0.56 0.00 2.86 -1.12 -2.28 114.93 114.44 1hbm h MET 397 Ca 0.12 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1hbm h MET 397 Cb -0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1hbm h MET 397 CO -0.02 0.41 0.28 0.00 1.06 0.00 0.00 176.91 178.64 1hbm h ALA 398 N 1.60 1.45 -0.00 6.32 0.00 -0.83 -2.68 119.26 125.12 1hbm h ALA 398 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hbm h ALA 398 Cb 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hbm h ALA 398 CO 0.03 0.44 -0.03 1.28 0.00 0.00 0.00 179.25 180.97 1hbm n LEU 399 N -4.38 0.41 -4.71 0.00 4.77 -0.83 -4.84 117.00 107.42 1hbm n LEU 399 Ca 0.05 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1hbm n LEU 399 Cb 0.11 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1hbm n LEU 399 CO 0.37 0.07 0.70 -0.62 -1.33 0.00 0.00 177.39 176.59 1hbm s ASP 400 N -2.21 7.36 0.00 -1.43 2.15 -1.01 -4.31 116.67 117.22 1hbm s ASP 400 Ca 0.38 1.74 0.24 0.00 0.43 0.00 0.00 52.55 55.34 1hbm s ASP 400 Cb 0.21 -2.58 0.48 0.00 -0.30 0.00 0.00 42.92 40.74 1hbm s ASP 400 CO 0.41 -0.24 1.42 0.00 -0.17 0.00 0.00 175.17 176.59 1hbm n ALA 401 N 3.63 2.47 0.00 3.66 0.00 -0.74 -4.84 120.51 124.69 1hbm n ALA 401 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1hbm n ALA 401 Cb 0.50 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 1.35 0.53 0.19 0.00 0.00 -1.26 -5.05 105.19 100.94 1hbm n GLY 402 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.92 2.61 -2.24 -1.26 -4.94 114.28 104.53 1hbm n THR 403 Ca 0.00 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 1hbm n THR 403 Cb 0.00 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.74 3.86 0.05 -0.78 -1.52 -1.26 -5.00 119.66 112.27 1hbm s GLN 404 Ca 0.16 -0.26 -0.20 0.00 -1.95 0.00 0.00 55.36 53.10 1hbm s GLN 404 Cb 0.18 -3.25 -0.13 0.00 -0.22 0.00 0.00 33.01 29.60 1hbm s GLN 404 CO 0.67 0.42 1.41 0.52 -0.25 0.00 0.00 175.29 178.06 1hbm h MET 405 N 6.22 0.35 -3.07 2.91 2.86 -2.05 -3.35 114.93 118.80 1hbm h MET 405 Ca -0.43 -0.15 -0.79 0.00 -2.06 0.00 0.00 59.70 56.27 1hbm h MET 405 Cb 1.18 -0.01 -0.22 0.00 0.06 0.00 0.00 31.60 32.60 1hbm h MET 405 CO 0.69 0.66 1.37 1.19 1.06 0.00 0.00 176.91 181.87 1hbm n PHE 406 N -4.62 2.53 -2.33 -0.22 3.01 -1.26 -4.78 117.46 109.80 1hbm n PHE 406 Ca -0.05 -2.66 -0.25 0.00 1.01 0.00 0.00 57.45 55.50 1hbm n PHE 406 Cb 0.30 -1.54 0.08 0.00 -0.01 0.00 0.00 39.48 38.31 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 -0.66 4.61 0.40 4.37 1.04 -1.26 -4.69 113.70 117.52 1hbm s SER 407 Ca 0.36 0.19 0.07 0.00 0.48 0.00 0.00 55.95 57.04 1hbm s SER 407 Cb 0.08 -0.75 0.84 0.00 0.10 0.00 0.00 66.02 66.29 1hbm s SER 407 CO 0.04 -1.70 2.05 -0.65 0.98 0.00 0.00 173.24 173.96 1hbm h PRO 408 N -0.58 0.57 -0.76 4.02 0.11 -1.94 -0.60 132.00 132.82 1hbm h PRO 408 Ca -0.42 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1hbm h PRO 408 Cb 1.29 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1hbm h PRO 408 CO 0.52 0.38 0.49 0.93 -0.21 0.00 0.00 178.00 180.11 1hbm h GLU 409 N 0.59 1.00 0.22 1.05 3.07 -1.93 0.13 114.58 118.70 1hbm h GLU 409 Ca 0.17 -0.07 -0.32 0.00 -0.50 0.00 0.00 59.36 58.65 1hbm h GLU 409 Cb -0.01 -0.22 0.03 0.00 -0.84 0.00 0.00 28.75 27.70 1hbm h GLU 409 CO -0.04 0.67 -1.43 0.00 -1.40 0.00 0.00 179.01 176.81 1hbm h ALA 410 N 1.51 -0.08 0.00 3.43 0.00 -1.59 -3.38 119.26 119.16 1hbm h ALA 410 Ca 0.28 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1hbm h ALA 410 Cb -0.10 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1hbm h ALA 410 CO -0.06 0.79 -1.94 0.25 0.00 0.00 0.00 179.25 178.29 1hbm n THR 411 N -3.66 0.00 -1.86 0.00 -2.24 -0.33 -4.73 114.28 101.47 1hbm n THR 411 Ca -0.15 -0.47 0.03 0.00 -2.27 0.00 0.00 64.05 61.19 1hbm n THR 411 Cb 1.08 0.05 0.05 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.83 -0.14 3.42 7.64 0.43 -4.90 113.62 118.68 1hbm n SER 412 Ca -0.04 -2.38 -0.09 0.00 1.01 0.00 0.00 58.87 57.38 1hbm n SER 412 Cb 0.56 -0.29 -0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.26 0.65 0.96 0.23 0.00 -1.73 0.11 103.07 103.56 1hbm h GLY 413 Ca -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1hbm h GLY 413 CO 0.02 0.31 0.11 -2.00 0.00 0.00 0.00 176.54 174.98 1hbm h LEU 414 N 0.54 0.69 -0.60 3.11 5.85 -1.93 -1.82 115.31 121.14 1hbm h LEU 414 Ca 0.14 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1hbm h LEU 414 Cb 0.13 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1hbm h LEU 414 CO -0.02 0.74 0.34 0.40 -0.34 0.00 0.00 178.44 179.56 1hbm h ILE 415 N 0.60 0.99 0.00 4.05 1.08 -1.86 -2.64 117.51 119.74 1hbm h ILE 415 Ca 0.14 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1hbm h ILE 415 Cb 0.32 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 1hbm h ILE 415 CO 0.00 0.12 -0.09 0.50 -0.69 0.00 0.00 178.15 177.99 1hbm h LYS 416 N 0.64 -0.16 -0.89 2.37 3.64 -0.59 0.57 116.57 122.16 1hbm h LYS 416 Ca 0.26 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1hbm h LYS 416 Cb 0.13 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1hbm h LYS 416 CO -0.16 -0.10 0.51 1.49 -2.27 0.00 0.00 179.45 178.92 1hbm h GLU 417 N -0.16 1.23 0.00 1.90 4.81 -1.16 -2.74 114.58 118.46 1hbm h GLU 417 Ca 0.03 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1hbm h GLU 417 Cb 0.20 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1hbm h GLU 417 CO -0.09 0.88 -0.84 0.28 -0.73 0.00 0.00 179.01 178.52 1hbm h VAL 418 N 1.24 0.70 0.00 0.32 2.07 -1.35 -3.40 116.25 115.82 1hbm h VAL 418 Ca 0.32 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 1hbm h VAL 418 Cb -0.00 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1hbm h VAL 418 CO -0.05 0.24 -0.33 -0.26 0.02 0.00 0.00 177.57 177.18 1hbm h PHE 419 N -1.00 0.00 0.00 1.57 -1.00 -0.98 -2.45 116.94 113.07 1hbm h PHE 419 Ca -0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1hbm h PHE 419 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 1hbm h PHE 419 CO 0.02 0.33 0.00 -1.13 -1.61 0.00 0.00 178.31 175.92 1hbm n SER 420 N -3.49 0.72 0.25 2.17 3.41 -1.03 -2.48 113.62 113.16 1hbm n SER 420 Ca -0.00 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1hbm n SER 420 Cb 0.48 -0.82 0.65 0.00 -0.26 0.00 0.00 64.21 64.27 1hbm n SER 420 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1hbm h GLN 421 N 0.00 0.00 -6.12 4.33 1.08 -1.64 -3.43 115.11 109.33 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 0.44 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.78 1hbm h GLN 421 CO 0.00 0.16 0.66 0.08 -0.95 0.00 0.00 178.83 178.77 1hbm s VAL 422 N -4.06 4.59 0.21 -0.54 1.01 -1.03 -4.96 120.40 115.62 1hbm s VAL 422 Ca -0.02 1.38 -0.09 0.00 0.00 0.00 0.00 61.98 63.25 1hbm s VAL 422 Cb 0.12 -4.33 0.17 0.00 0.00 0.00 0.00 36.38 32.34 1hbm s VAL 422 CO 0.60 -0.47 1.84 0.44 0.00 0.00 0.00 175.10 177.51 1hbm h ASP 423 N 8.29 0.99 0.72 3.32 3.32 -1.88 -1.14 116.42 130.04 1hbm h ASP 423 Ca -0.22 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1hbm h ASP 423 Cb 1.07 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1hbm h ASP 423 CO 0.98 0.79 -0.13 -0.33 -1.72 0.00 0.00 179.24 178.84 1hbm h GLU 424 N 1.11 0.00 0.10 3.56 3.07 -1.93 -0.57 114.58 119.93 1hbm h GLU 424 Ca 0.29 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.86 1hbm h GLU 424 Cb 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1hbm h GLU 424 CO -0.05 0.13 -1.42 0.74 -1.40 0.00 0.00 179.01 177.02 1hbm h PHE 425 N 0.00 0.37 0.16 4.33 0.04 -1.64 -3.21 116.94 116.99 1hbm h PHE 425 Ca -0.00 -0.27 -0.30 0.00 2.80 0.00 0.00 57.97 60.20 1hbm h PHE 425 Cb 0.52 -0.01 0.03 0.00 2.20 0.00 0.00 35.95 38.69 1hbm h PHE 425 CO 0.00 1.28 -1.30 -0.09 -0.60 0.00 0.00 178.31 177.61 1hbm h ARG 426 N 0.06 0.52 -2.11 1.51 2.43 -0.95 -3.40 114.38 112.44 1hbm h ARG 426 Ca -0.19 -0.77 -0.53 0.00 -0.81 0.00 0.00 59.98 57.68 1hbm h ARG 426 Cb 1.97 0.27 -0.41 0.00 -0.42 0.00 0.00 29.97 31.39 1hbm h ARG 426 CO 0.16 1.35 -0.97 0.39 -1.51 0.00 0.00 179.97 179.39 1hbm n GLU 427 N -3.72 1.86 -0.08 0.20 1.02 -0.25 -4.61 120.64 115.07 1hbm n GLU 427 Ca -0.13 -3.97 -0.03 0.00 -0.02 0.00 0.00 57.16 53.01 1hbm n GLU 427 Cb 1.02 -1.91 0.20 0.00 -0.02 0.00 0.00 31.44 30.73 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 3.04 0.72 -0.57 3.49 0.13 -1.75 -3.09 132.00 133.96 1hbm h PRO 428 Ca 0.11 -0.18 0.11 0.00 -0.87 0.00 0.00 66.00 65.17 1hbm h PRO 428 Cb 0.78 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 31.74 1hbm h PRO 428 CO 0.63 0.72 0.10 1.25 -0.23 0.00 0.00 178.00 180.47 1hbm h LEU 429 N 0.68 -0.05 -0.13 1.56 5.85 -1.89 0.22 115.31 121.55 1hbm h LEU 429 Ca 0.14 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1hbm h LEU 429 Cb 0.40 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1hbm h LEU 429 CO 0.01 -0.01 0.03 0.50 -0.34 0.00 0.00 178.44 178.64 1hbm h LYS 430 N 0.23 0.09 -0.56 1.25 3.64 -1.92 -1.80 116.57 117.50 1hbm h LYS 430 Ca 0.30 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1hbm h LYS 430 Cb 0.44 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1hbm h LYS 430 CO -0.40 0.06 -0.02 1.88 -2.27 0.00 0.00 179.45 178.69 1hbm h TYR 431 N 0.09 1.09 -0.47 1.91 -1.99 -1.51 -2.33 116.97 113.77 1hbm h TYR 431 Ca 0.06 -0.20 -0.11 0.00 2.00 0.00 0.00 58.73 60.48 1hbm h TYR 431 Cb 0.04 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 1hbm h TYR 431 CO -0.11 0.99 -0.15 0.28 -0.00 0.00 0.00 178.16 179.17 1hbm h VAL 432 N 0.88 1.27 0.20 -2.88 2.07 -0.91 -2.05 116.25 114.83 1hbm h VAL 432 Ca 0.15 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1hbm h VAL 432 Cb 0.57 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1hbm h VAL 432 CO 0.03 0.44 -0.14 0.58 0.02 0.00 0.00 177.57 178.51 1hbm h VAL 433 N 0.77 0.71 -0.52 2.57 2.07 -1.34 -1.53 116.25 118.98 1hbm h VAL 433 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 1hbm h VAL 433 Cb 0.71 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1hbm h VAL 433 CO 0.05 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.50 1hbm h GLU 434 N -0.34 0.36 -0.92 1.57 5.08 -1.42 -1.66 114.58 117.25 1hbm h GLU 434 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1hbm h GLU 434 Cb 0.29 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1hbm h GLU 434 CO 0.01 0.24 0.59 0.00 -1.00 0.00 0.00 179.01 178.84 1hbm h ALA 435 N 1.35 1.17 -0.45 3.43 0.00 -1.29 -0.93 119.26 122.54 1hbm h ALA 435 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1hbm h ALA 435 Cb 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1hbm h ALA 435 CO -0.25 0.59 0.17 0.00 0.00 0.00 0.00 179.25 179.75 1hbm h ALA 436 N 1.32 0.58 -0.54 0.00 0.00 -0.66 -1.73 119.26 118.24 1hbm h ALA 436 Ca 0.33 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1hbm h ALA 436 Cb -0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1hbm h ALA 436 CO -0.07 0.20 0.21 0.00 0.00 0.00 0.00 179.25 179.59 1hbm h ALA 437 N 1.01 0.68 -0.38 0.00 0.00 -1.11 -1.90 119.26 117.55 1hbm h ALA 437 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1hbm h ALA 437 Cb 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1hbm h ALA 437 CO -0.01 -0.18 0.17 1.49 0.00 0.00 0.00 179.25 180.72 1hbm h GLU 438 N 0.40 0.53 -0.18 0.00 4.57 -0.56 -2.93 114.58 116.40 1hbm h GLU 438 Ca 0.26 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1hbm h GLU 438 Cb 0.27 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1hbm h GLU 438 CO -0.25 0.43 0.00 0.44 -1.18 0.00 0.00 179.01 178.45 1hbm n ILE 439 N -4.40 0.25 -0.32 2.32 -5.35 -0.71 -4.67 119.36 106.47 1hbm n ILE 439 Ca 0.02 -0.62 0.18 0.00 -0.27 0.00 0.00 62.75 62.06 1hbm n ILE 439 Cb 0.13 1.21 0.38 0.00 -1.74 0.00 0.00 39.64 39.62 1hbm n ILE 439 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1hbm h LYS 440 N 4.08 0.34 -0.01 6.28 3.64 -1.15 0.29 116.57 130.05 1hbm h LYS 440 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1hbm h LYS 440 Cb 0.90 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1hbm h LYS 440 CO 0.00 0.23 -0.02 0.09 -2.27 0.00 0.00 179.45 177.48 1hbm n ASN 441 N -5.07 0.97 0.02 4.20 5.03 -1.26 -3.36 115.26 115.79 1hbm n ASN 441 Ca 0.26 -1.26 0.12 0.00 0.87 0.00 0.00 54.58 54.58 1hbm n ASN 441 Cb 0.81 0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.84 1hbm n ASN 441 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1hbm n GLU 442 N -0.29 0.10 0.00 3.52 1.02 0.10 -5.19 120.64 119.90 1hbm n GLU 442 Ca 0.20 0.03 0.16 0.00 -0.02 0.00 0.00 57.16 57.53 1hbm n GLU 442 Cb 0.28 -1.57 0.93 0.00 -0.02 0.00 0.00 31.44 31.06 1hbm n GLU 442 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42