#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbm n ASP 3 N 0.00 0.51 -4.67 0.00 10.43 -1.26 -4.98 116.55 116.58 1hbm n ASP 3 Ca 0.00 0.91 -0.33 0.00 2.57 0.00 0.00 54.79 57.94 1hbm n ASP 3 Cb 0.00 -1.31 0.14 0.00 1.84 0.00 0.00 41.12 41.79 1hbm n ASP 3 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1hbm n LYS 4 N -0.15 -0.05 0.21 -1.24 4.76 -1.26 -4.91 118.16 115.52 1hbm n LYS 4 Ca 0.11 0.06 0.14 0.00 -2.87 0.00 0.00 58.31 55.76 1hbm n LYS 4 Cb 0.43 -2.39 0.50 0.00 -1.84 0.00 0.00 35.03 31.73 1hbm n LYS 4 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hbm h LEU 5 N -1.25 0.00 -0.51 -0.35 3.38 -1.94 -2.65 115.31 111.99 1hbm h LEU 5 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1hbm h LEU 5 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1hbm h LEU 5 CO 0.44 0.00 -0.11 2.22 0.09 0.00 0.00 178.44 181.08 1hbm n PHE 6 N -2.79 0.00 -0.16 1.13 1.16 -1.26 -4.39 117.46 111.16 1hbm n PHE 6 Ca 0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.52 1hbm n PHE 6 Cb 0.35 -0.09 0.01 0.00 -1.61 0.00 0.00 39.48 38.14 1hbm n PHE 6 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1hbm h ILE 7 N 1.24 1.21 -0.76 1.97 1.08 -1.77 -2.33 117.51 118.15 1hbm h ILE 7 Ca 0.00 -0.65 0.05 0.00 -0.39 0.00 0.00 64.86 63.86 1hbm h ILE 7 Cb 0.41 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 1hbm h ILE 7 CO 0.00 0.24 0.46 0.78 -0.69 0.00 0.00 178.15 178.95 1hbm h ASN 8 N 0.62 0.74 -0.48 1.72 2.35 -1.82 -1.53 115.58 117.18 1hbm h ASN 8 Ca 0.16 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1hbm h ASN 8 Cb 0.20 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1hbm h ASN 8 CO -0.01 0.49 0.12 0.00 -1.65 0.00 0.00 177.43 176.37 1hbm h ALA 9 N 1.35 0.64 -0.62 -0.83 0.00 -1.80 -1.86 119.26 116.14 1hbm h ALA 9 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1hbm h ALA 9 Cb 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1hbm h ALA 9 CO -0.15 0.33 0.21 -0.07 0.00 0.00 0.00 179.25 179.57 1hbm h LEU 10 N 0.66 0.85 -0.68 0.00 3.38 -0.99 -2.16 115.31 116.36 1hbm h LEU 10 Ca 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1hbm h LEU 10 Cb 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1hbm h LEU 10 CO 0.00 0.79 0.17 0.11 0.09 0.00 0.00 178.44 179.60 1hbm h LYS 11 N 0.90 1.09 0.00 1.13 1.57 -1.09 -2.74 116.57 117.43 1hbm h LYS 11 Ca 0.21 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1hbm h LYS 11 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1hbm h LYS 11 CO -0.01 0.96 -0.32 -0.22 -0.57 0.00 0.00 179.45 179.29 1hbm h LYS 12 N 1.02 0.00 0.01 3.15 1.63 -1.11 -3.26 116.57 118.01 1hbm h LYS 12 Ca 0.22 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.78 1hbm h LYS 12 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1hbm h LYS 12 CO 0.00 0.32 -0.98 0.87 -3.45 0.00 0.00 179.45 176.21 1hbm h LYS 13 N 0.00 0.42 -5.28 1.90 1.57 -1.10 -3.48 116.57 110.61 1hbm h LYS 13 Ca -0.00 -0.47 -0.40 0.00 -1.87 0.00 0.00 60.65 57.91 1hbm h LYS 13 Cb 0.60 0.14 -0.21 0.00 0.08 0.00 0.00 32.23 32.83 1hbm h LYS 13 CO 0.04 1.13 -0.77 -0.06 -0.57 0.00 0.00 179.45 179.22 1hbm s PHE 14 N -3.22 1.18 0.22 -1.35 2.99 -1.13 -4.87 117.98 111.80 1hbm s PHE 14 Ca -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 56.93 56.39 1hbm s PHE 14 Cb 0.08 -0.66 0.21 0.00 0.00 0.00 0.00 43.02 42.65 1hbm s PHE 14 CO 0.87 0.05 1.59 1.05 -0.00 0.00 0.00 175.22 178.78 1hbm h GLU 15 N 4.26 0.55 -7.10 0.44 4.11 -1.91 -3.45 114.58 111.49 1hbm h GLU 15 Ca -0.40 -0.29 -0.52 0.00 0.07 0.00 0.00 59.36 58.22 1hbm h GLU 15 Cb 1.19 0.01 0.10 0.00 0.50 0.00 0.00 28.75 30.55 1hbm h GLU 15 CO 0.41 0.87 0.46 -1.21 0.07 0.00 0.00 179.01 179.61 1hbm s GLU 16 N -4.21 3.03 0.70 1.06 8.01 -1.26 -5.03 118.70 121.00 1hbm s GLU 16 Ca -0.07 1.76 -0.16 0.00 0.01 0.00 0.00 54.97 56.51 1hbm s GLU 16 Cb 0.12 -1.94 0.02 0.00 -4.31 0.00 0.00 34.13 28.02 1hbm s GLU 16 CO 0.82 -1.15 1.26 0.45 0.01 0.00 0.00 175.26 176.66 1hbm s SER 17 N -1.68 4.23 0.56 -0.19 0.15 -1.26 -4.85 113.70 110.67 1hbm s SER 17 Ca 0.76 2.53 0.33 0.00 0.70 0.00 0.00 55.95 60.27 1hbm s SER 17 Cb -0.29 -2.61 1.67 0.00 -1.71 0.00 0.00 66.02 63.08 1hbm s SER 17 CO 0.32 -2.25 2.13 -0.65 1.20 0.00 0.00 173.24 173.99 1hbm h PRO 18 N 0.02 0.00 0.00 5.44 0.11 -1.95 -2.03 132.00 133.60 1hbm h PRO 18 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hbm h PRO 18 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1hbm h PRO 18 CO 0.51 0.06 0.00 0.93 -0.21 0.00 0.00 178.00 179.29 1hbm h GLU 19 N 0.00 0.00 -6.86 1.05 3.07 -1.91 -2.55 114.58 107.38 1hbm h GLU 19 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1hbm h GLU 19 Cb 0.29 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.25 1hbm h GLU 19 CO 0.01 0.00 0.59 -1.21 -1.40 0.00 0.00 179.01 177.00 1hbm s GLU 20 N -3.14 4.42 0.04 2.33 2.02 -0.76 -4.52 118.70 119.10 1hbm s GLU 20 Ca 0.10 2.09 0.23 0.00 0.02 0.00 0.00 54.97 57.41 1hbm s GLU 20 Cb 0.10 -3.09 0.11 0.00 0.10 0.00 0.00 34.13 31.36 1hbm s GLU 20 CO 0.61 -0.08 1.10 1.63 0.02 0.00 0.00 175.26 178.54 1hbm n LYS 21 N 0.88 0.21 -4.35 1.61 5.02 -1.26 -4.47 118.16 115.79 1hbm n LYS 21 Ca -0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1hbm n LYS 21 Cb 0.43 -1.57 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1hbm n LYS 21 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1hbm s LYS 22 N -3.14 1.33 0.07 1.97 1.02 -1.26 -5.08 119.74 114.66 1hbm s LYS 22 Ca 0.06 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 54.56 1hbm s LYS 22 Cb 0.15 -1.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.10 1hbm s LYS 22 CO 0.79 0.27 0.11 -2.37 -0.92 0.00 0.00 175.35 173.23 1hbm n THR 23 N 0.10 0.00 -5.05 2.17 5.66 -1.26 -5.03 114.28 110.87 1hbm n THR 23 Ca -0.12 -0.28 -0.32 0.00 -3.05 0.00 0.00 64.05 60.28 1hbm n THR 23 Cb 0.58 0.20 -0.15 0.00 -1.55 0.00 0.00 70.33 69.41 1hbm n THR 23 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1hbm s THR 24 N -2.63 2.61 0.49 1.09 2.01 -1.26 -5.14 115.64 112.81 1hbm s THR 24 Ca 0.05 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1hbm s THR 24 Cb -0.00 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 1hbm s THR 24 CO 0.03 0.58 0.03 0.49 -0.69 0.00 0.00 174.62 175.05 1hbm n PHE 25 N 2.65 0.98 -0.10 4.92 3.01 -1.26 -4.89 117.46 122.77 1hbm n PHE 25 Ca -0.17 -2.50 0.00 0.00 1.01 0.00 0.00 57.45 55.79 1hbm n PHE 25 Cb 0.52 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1hbm n PHE 25 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hbm n TYR 26 N -1.19 0.00 -1.34 1.38 4.02 -0.15 -4.75 117.16 115.14 1hbm n TYR 26 Ca -0.18 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.78 1hbm n TYR 26 Cb 0.63 -0.58 0.18 0.00 -0.02 0.00 0.00 39.34 39.56 1hbm n TYR 26 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1hbm n THR 27 N -2.00 2.10 1.13 -0.72 -2.24 -1.26 -4.61 114.28 106.68 1hbm n THR 27 Ca 0.00 -2.74 0.12 0.00 -2.27 0.00 0.00 64.05 59.16 1hbm n THR 27 Cb 0.00 -0.25 0.21 0.00 -2.10 0.00 0.00 70.33 68.19 1hbm n THR 27 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1hbm n LEU 28 N -1.23 1.32 0.00 3.22 4.77 -1.26 -4.95 117.00 118.86 1hbm n LEU 28 Ca 0.19 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1hbm n LEU 28 Cb 0.70 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1hbm n LEU 28 CO 0.01 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1hbm n GLY 29 N 1.39 0.73 7.00 -0.72 0.00 -1.26 -3.87 105.19 108.47 1hbm n GLY 29 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1hbm n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbm n GLY 30 N -2.44 3.07 0.30 -0.02 0.00 -1.23 -1.72 105.19 103.15 1hbm n GLY 30 Ca 0.00 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 45.95 1hbm n GLY 30 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1hbm h TRP 31 N 0.00 0.00 0.00 1.61 5.08 -1.75 -2.94 115.95 117.95 1hbm h TRP 31 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1hbm h TRP 31 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1hbm h TRP 31 CO 0.00 0.03 0.00 0.87 -1.28 0.00 0.00 178.44 178.06 1hbm h LYS 32 N 0.00 0.00 0.00 0.12 1.57 -1.64 -2.27 116.57 114.34 1hbm h LYS 32 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hbm h LYS 32 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1hbm h LYS 32 CO 0.00 0.00 0.00 -0.56 -0.57 0.00 0.00 179.45 178.32 1hbm h GLN 33 N 0.00 0.00 -5.18 3.15 3.07 -1.62 -3.44 115.11 111.08 1hbm h GLN 33 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 58.65 58.09 1hbm h GLN 33 Cb 0.16 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 27.46 1hbm h GLN 33 CO 0.00 0.00 -0.73 0.45 0.09 0.00 0.00 178.83 178.64 1hbm s SER 34 N -4.48 4.31 0.21 0.06 0.15 -0.86 -5.00 113.70 108.09 1hbm s SER 34 Ca 0.02 -0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 1hbm s SER 34 Cb 0.09 -1.70 0.26 0.00 -1.71 0.00 0.00 66.02 62.95 1hbm s SER 34 CO 0.38 0.09 1.77 -0.08 1.20 0.00 0.00 173.24 176.61 1hbm h GLU 35 N 7.27 0.51 -0.18 5.44 4.81 -1.87 -2.13 114.58 128.42 1hbm h GLU 35 Ca -0.33 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 1hbm h GLU 35 Cb 1.19 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1hbm h GLU 35 CO 0.59 0.34 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.88 1hbm h ARG 36 N 0.52 0.48 -0.59 1.92 9.65 -1.94 -1.58 114.38 122.83 1hbm h ARG 36 Ca 0.30 -0.27 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1hbm h ARG 36 Cb 0.29 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1hbm h ARG 36 CO -0.24 0.86 0.28 0.87 2.80 0.00 0.00 179.97 184.54 1hbm h LYS 37 N 0.13 0.83 -0.22 0.20 1.79 -1.81 -0.99 116.57 116.50 1hbm h LYS 37 Ca 0.02 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1hbm h LYS 37 Cb 0.80 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1hbm h LYS 37 CO 0.06 0.65 0.14 1.15 -1.08 0.00 0.00 179.45 180.36 1hbm h THR 38 N 0.83 1.05 -0.62 -0.16 2.02 -1.29 -0.64 112.91 114.10 1hbm h THR 38 Ca 0.21 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.41 1hbm h THR 38 Cb 0.09 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 1hbm h THR 38 CO -0.03 0.05 0.12 -0.08 0.37 0.00 0.00 175.52 175.96 1hbm h GLU 39 N 0.29 0.24 -0.50 6.66 4.81 -0.77 -2.18 114.58 123.12 1hbm h GLU 39 Ca 0.08 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1hbm h GLU 39 Cb -0.03 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1hbm h GLU 39 CO -0.02 0.16 0.06 0.74 -0.73 0.00 0.00 179.01 179.22 1hbm h PHE 40 N 0.25 0.90 -0.62 0.92 0.05 -0.80 -0.60 116.94 117.03 1hbm h PHE 40 Ca 0.33 -0.13 -0.02 0.00 3.82 0.00 0.00 57.97 61.97 1hbm h PHE 40 Cb 0.51 -0.24 -0.03 0.00 2.00 0.00 0.00 35.95 38.18 1hbm h PHE 40 CO -0.26 0.82 0.33 0.28 -0.18 0.00 0.00 178.31 179.30 1hbm h VAL 41 N 0.71 1.20 -0.36 -0.55 2.07 -0.82 0.53 116.25 119.03 1hbm h VAL 41 Ca 0.15 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1hbm h VAL 41 Cb 0.42 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1hbm h VAL 41 CO 0.01 0.23 0.12 0.78 0.02 0.00 0.00 177.57 178.73 1hbm h ASN 42 N 0.85 0.52 -0.42 0.57 2.35 -1.28 -2.66 115.58 115.52 1hbm h ASN 42 Ca 0.22 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1hbm h ASN 42 Cb 0.06 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1hbm h ASN 42 CO -0.03 0.58 0.26 0.00 -1.65 0.00 0.00 177.43 176.59 1hbm h ALA 43 N 0.96 0.53 -0.72 -0.83 0.00 -0.85 -2.82 119.26 115.53 1hbm h ALA 43 Ca 0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1hbm h ALA 43 Cb 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1hbm h ALA 43 CO -0.00 -0.05 0.40 0.78 0.00 0.00 0.00 179.25 180.37 1hbm h GLY 44 N 0.53 1.07 1.00 0.00 0.00 -0.73 -0.12 103.07 104.81 1hbm h GLY 44 Ca 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1hbm h GLY 44 CO -0.06 0.14 0.35 0.50 0.00 0.00 0.00 176.54 177.48 1hbm h LYS 45 N 0.71 0.77 -0.35 4.80 1.57 -1.33 -1.36 116.57 121.37 1hbm h LYS 45 Ca 0.33 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1hbm h LYS 45 Cb 0.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1hbm h LYS 45 CO -0.21 0.55 0.08 0.93 -0.57 0.00 0.00 179.45 180.23 1hbm h GLU 46 N 0.77 0.57 -0.00 3.15 5.08 -1.21 -2.21 114.58 120.73 1hbm h GLU 46 Ca 0.21 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1hbm h GLU 46 Cb -0.03 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1hbm h GLU 46 CO -0.04 0.62 0.00 0.28 -1.00 0.00 0.00 179.01 178.87 1hbm h VAL 47 N 0.42 1.05 -0.80 3.13 2.07 -0.98 -1.17 116.25 119.97 1hbm h VAL 47 Ca 0.11 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1hbm h VAL 47 Cb 0.31 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1hbm h VAL 47 CO 0.00 0.04 0.50 0.00 0.02 0.00 0.00 177.57 178.13 1hbm h ALA 48 N 0.93 1.07 -0.20 1.67 0.00 -1.22 -2.14 119.26 119.37 1hbm h ALA 48 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 48 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hbm h ALA 48 CO -0.00 0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.57 1hbm h ALA 49 N 1.36 0.26 -0.61 0.00 0.00 -1.18 -0.80 119.26 118.29 1hbm h ALA 49 Ca 0.33 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1hbm h ALA 49 Cb 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1hbm h ALA 49 CO -0.14 -0.09 0.25 -0.22 0.00 0.00 0.00 179.25 179.06 1hbm h LYS 50 N 0.13 0.44 0.00 0.00 3.64 -0.98 -3.20 116.57 116.60 1hbm h LYS 50 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1hbm h LYS 50 Cb 0.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1hbm h LYS 50 CO 0.00 0.29 -0.99 2.89 -2.27 0.00 0.00 179.45 179.37 1hbm n ARG 51 N -4.96 0.13 -1.25 1.90 1.85 -0.83 -4.98 116.66 108.52 1hbm n ARG 51 Ca 0.08 -0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.91 1hbm n ARG 51 Cb 0.25 -1.48 -0.01 0.00 -1.05 0.00 0.00 32.46 30.17 1hbm n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1hbm n GLY 52 N 1.49 0.48 2.83 2.89 0.00 -0.32 -5.03 105.19 107.53 1hbm n GLY 52 Ca 0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1hbm n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hbm s ILE 53 N -2.08 -0.14 0.42 -0.61 1.01 -1.15 -5.07 121.20 113.59 1hbm s ILE 53 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 1hbm s ILE 53 Cb 0.00 -0.22 -0.12 0.00 0.01 0.00 0.00 42.46 42.13 1hbm s ILE 53 CO 0.00 0.12 0.56 -2.65 0.00 0.00 0.00 174.94 172.97 1hbm n PRO 54 N 4.78 0.59 0.00 2.79 -0.02 -1.26 -4.34 135.00 137.54 1hbm n PRO 54 Ca -0.15 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1hbm n PRO 54 Cb 0.50 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1hbm n PRO 54 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1hbm n GLN 55 N 0.58 0.00 -2.09 -0.52 7.27 -1.26 -4.96 117.38 116.40 1hbm n GLN 55 Ca 0.11 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.77 1hbm n GLN 55 Cb 0.39 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.01 1hbm n GLN 55 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1hbm s TYR 56 N 3.15 3.17 -0.24 3.69 6.14 -1.26 -4.99 117.35 127.01 1hbm s TYR 56 Ca 0.00 0.87 -0.04 0.00 0.64 0.00 0.00 57.07 58.54 1hbm s TYR 56 Cb 0.00 -3.77 0.13 0.00 0.42 0.00 0.00 41.96 38.75 1hbm s TYR 56 CO 0.00 -2.70 0.44 1.21 0.64 0.00 0.00 175.55 175.14 1hbm s ASN 57 N 1.02 -0.25 0.34 4.32 3.84 -1.26 -4.43 114.94 118.51 1hbm s ASN 57 Ca 0.65 0.63 0.24 0.00 0.21 0.00 0.00 52.86 54.59 1hbm s ASN 57 Cb -0.39 1.43 1.23 0.00 -0.55 0.00 0.00 41.25 42.96 1hbm s ASN 57 CO 0.32 -0.27 1.73 1.55 -2.79 0.00 0.00 177.10 177.64 1hbm h PRO 58 N 8.14 0.00 -0.01 0.43 0.13 -1.95 -2.45 132.00 136.28 1hbm h PRO 58 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1hbm h PRO 58 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1hbm h PRO 58 CO 0.22 0.00 -0.20 -0.25 -0.23 0.00 0.00 178.00 177.53 1hbm n ASP 59 N -2.33 0.99 -4.76 1.44 8.00 -1.26 -4.78 116.55 113.85 1hbm n ASP 59 Ca -0.01 -0.91 -0.40 0.00 0.71 0.00 0.00 54.79 54.18 1hbm n ASP 59 Cb 0.08 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1hbm n ASP 59 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hbm s ILE 60 N -2.44 3.80 0.00 0.53 -1.09 -0.93 -4.88 121.20 116.21 1hbm s ILE 60 Ca 0.27 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.47 1hbm s ILE 60 Cb 0.20 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1hbm s ILE 60 CO 0.49 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 175.21 1hbm n GLY 61 N 1.25 1.96 3.90 6.18 0.00 -1.26 -4.79 105.19 112.43 1hbm n GLY 61 Ca -0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1hbm n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hbm s THR 62 N 0.00 4.93 -0.59 2.61 -4.23 -1.26 -5.02 115.64 112.09 1hbm s THR 62 Ca 0.00 0.24 -0.21 0.00 -1.18 0.00 0.00 61.69 60.53 1hbm s THR 62 Cb 0.00 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.16 1hbm s THR 62 CO 0.00 -0.46 0.81 -2.16 -0.54 0.00 0.00 174.62 172.27 1hbm s PRO 63 N -3.83 3.14 0.60 3.99 0.04 -1.26 -4.99 135.00 132.69 1hbm s PRO 63 Ca 0.47 -0.87 -0.19 0.00 0.04 0.00 0.00 61.00 60.45 1hbm s PRO 63 Cb -0.10 -4.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.21 1hbm s PRO 63 CO 0.32 -1.55 0.96 1.28 0.04 0.00 0.00 177.00 178.05 1hbm n LEU 64 N 6.96 3.63 -0.03 -3.56 4.77 -1.26 -4.14 117.00 123.37 1hbm n LEU 64 Ca -0.05 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1hbm n LEU 64 Cb 0.45 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1hbm n LEU 64 CO 0.60 -1.87 0.00 0.61 -1.33 0.00 0.00 177.39 175.40 1hbm n GLY 65 N 1.29 1.25 0.23 -0.72 0.00 -1.26 -2.51 105.19 103.47 1hbm n GLY 65 Ca 0.14 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1hbm n GLY 65 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1hbm h GLN 66 N 0.00 0.00 -5.70 1.61 1.08 -1.88 -3.25 115.11 106.98 1hbm h GLN 66 Ca 0.00 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.59 1hbm h GLN 66 Cb 0.43 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.77 1hbm h GLN 66 CO 0.00 0.00 -0.42 -0.98 -0.95 0.00 0.00 178.83 176.48 1hbm s ARG 67 N -3.39 2.23 0.12 1.46 1.04 -1.26 -0.97 118.95 118.17 1hbm s ARG 67 Ca 0.05 -2.09 -0.31 0.00 -1.04 0.00 0.00 55.73 52.34 1hbm s ARG 67 Cb 0.07 -1.89 -0.09 0.00 -2.04 0.00 0.00 34.95 31.00 1hbm s ARG 67 CO 0.60 -0.40 1.60 0.08 -0.04 0.00 0.00 175.30 177.14 1hbm s VAL 68 N -2.76 2.85 -0.51 4.99 1.01 -1.26 -4.97 120.40 119.76 1hbm s VAL 68 Ca 0.27 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1hbm s VAL 68 Cb 0.01 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.11 1hbm s VAL 68 CO 0.16 0.02 0.88 -0.76 0.00 0.00 0.00 175.10 175.40 1hbm s LEU 69 N 1.86 4.18 0.33 3.92 1.43 -1.26 -5.01 118.68 124.13 1hbm s LEU 69 Ca 0.72 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 1hbm s LEU 69 Cb -0.41 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 42.81 1hbm s LEU 69 CO 0.32 -1.10 0.84 -0.04 0.23 0.00 0.00 176.35 176.60 1hbm s MET 70 N 3.67 4.27 0.60 1.70 -1.94 -1.26 -5.02 119.30 121.31 1hbm s MET 70 Ca 0.30 1.00 -0.15 0.00 -1.71 0.00 0.00 55.69 55.14 1hbm s MET 70 Cb -0.12 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 1hbm s MET 70 CO 0.21 0.19 1.04 -1.25 -0.01 0.00 0.00 175.02 175.20 1hbm s PRO 71 N -2.56 3.37 -0.05 2.03 0.04 -1.26 -4.07 135.00 132.49 1hbm s PRO 71 Ca 0.53 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.72 1hbm s PRO 71 Cb -0.13 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1hbm s PRO 71 CO 0.19 -0.76 -0.20 0.71 0.04 0.00 0.00 177.00 176.97 1hbm s TYR 72 N -2.61 1.96 -0.10 0.56 1.51 0.94 -4.85 117.35 114.75 1hbm s TYR 72 Ca 0.62 -0.55 -0.27 0.00 -1.01 0.00 0.00 57.07 55.85 1hbm s TYR 72 Cb -0.14 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1hbm s TYR 72 CO 0.40 -0.17 0.86 -1.14 -1.11 0.00 0.00 175.55 174.39 1hbm s GLN 73 N -0.07 4.40 -0.13 -0.62 0.74 -1.26 -1.11 119.66 121.61 1hbm s GLN 73 Ca -0.03 1.13 -0.29 0.00 0.05 0.00 0.00 55.36 56.22 1hbm s GLN 73 Cb -0.12 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 1hbm s GLN 73 CO 0.02 -0.19 1.42 0.08 -0.55 0.00 0.00 175.29 176.08 1hbm s VAL 74 N 1.62 4.00 0.48 1.34 1.01 -0.33 0.03 120.40 128.53 1hbm s VAL 74 Ca 0.43 1.20 -0.23 0.00 0.00 0.00 0.00 61.98 63.38 1hbm s VAL 74 Cb -0.18 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1hbm s VAL 74 CO 0.18 -0.12 1.09 -1.20 0.00 0.00 0.00 175.10 175.05 1hbm n SER 75 N 6.88 1.59 0.00 3.32 7.64 -0.63 -1.45 113.62 130.97 1hbm n SER 75 Ca 0.15 0.99 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1hbm n SER 75 Cb 0.44 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1hbm n SER 75 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1hbm n THR 76 N -0.77 0.00 -4.35 0.44 -2.24 -1.26 -4.78 114.28 101.32 1hbm n THR 76 Ca 0.10 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.59 1hbm n THR 76 Cb 0.42 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1hbm n THR 76 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hbm s THR 77 N -2.52 1.69 -0.30 4.28 -4.23 -0.53 -5.02 115.64 109.01 1hbm s THR 77 Ca 0.00 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1hbm s THR 77 Cb 0.00 -2.48 0.61 0.00 1.34 0.00 0.00 72.50 71.98 1hbm s THR 77 CO 0.00 0.00 1.63 0.47 -0.54 0.00 0.00 174.62 176.18 1hbm n ASP 78 N -1.35 3.75 -4.64 3.99 10.43 -1.26 -4.72 116.55 122.73 1hbm n ASP 78 Ca -0.08 -3.39 -0.39 0.00 2.57 0.00 0.00 54.79 53.49 1hbm n ASP 78 Cb 0.66 -0.68 -0.08 0.00 1.84 0.00 0.00 41.12 42.86 1hbm n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1hbm s THR 79 N -3.07 5.14 -0.17 -3.53 2.01 -1.26 -5.02 115.64 109.74 1hbm s THR 79 Ca 0.49 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 63.27 1hbm s THR 79 Cb 0.41 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1hbm s THR 79 CO 0.08 0.18 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.77 1hbm s TYR 80 N 1.75 2.86 0.05 4.92 1.51 -1.26 -1.19 117.35 125.99 1hbm s TYR 80 Ca 0.20 -0.86 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 1hbm s TYR 80 Cb -0.15 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1hbm s TYR 80 CO 0.09 -0.39 -0.04 0.14 -1.11 0.00 0.00 175.55 174.24 1hbm s VAL 81 N 0.84 0.28 0.67 0.71 -7.23 -0.27 -4.88 120.40 110.53 1hbm s VAL 81 Ca -0.03 -1.45 -0.17 0.00 -1.81 0.00 0.00 61.98 58.52 1hbm s VAL 81 Cb -0.15 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.78 1hbm s VAL 81 CO 0.00 -0.75 1.22 -1.61 -0.31 0.00 0.00 175.10 173.65 1hbm s GLU 82 N -2.83 2.47 0.53 4.82 2.02 -1.26 -0.04 118.70 124.40 1hbm s GLU 82 Ca -0.02 1.82 0.27 0.00 0.02 0.00 0.00 54.97 57.06 1hbm s GLU 82 Cb -0.00 -1.87 1.47 0.00 0.10 0.00 0.00 34.13 33.83 1hbm s GLU 82 CO -0.05 -1.60 2.09 0.78 0.02 0.00 0.00 175.26 176.50 1hbm h GLY 83 N 0.20 0.00 2.00 -1.39 0.00 -1.95 -2.47 103.07 99.45 1hbm h GLY 83 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1hbm h GLY 83 CO 0.52 0.00 -0.02 -0.55 0.00 0.00 0.00 176.54 176.49 1hbm h ASP 84 N 0.00 0.00 0.72 0.19 5.19 -1.95 -0.84 116.42 119.74 1hbm h ASP 84 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hbm h ASP 84 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1hbm h ASP 84 CO 0.01 0.02 -0.05 0.47 -3.12 0.00 0.00 179.24 176.57 1hbm n ASP 85 N -3.58 0.10 -0.59 6.45 9.92 -0.93 -2.31 116.55 125.60 1hbm n ASP 85 Ca -0.03 0.07 0.06 0.00 -0.53 0.00 0.00 54.79 54.37 1hbm n ASP 85 Cb 0.11 -0.31 0.10 0.00 -0.64 0.00 0.00 41.12 40.37 1hbm n ASP 85 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1hbm n LEU 86 N -1.35 2.41 -4.75 0.64 4.77 -0.32 -4.13 117.00 114.26 1hbm n LEU 86 Ca 0.10 -1.35 -0.41 0.00 -0.03 0.00 0.00 56.01 54.32 1hbm n LEU 86 Cb 0.30 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1hbm n LEU 86 CO 0.26 0.52 1.06 -2.28 -1.33 0.00 0.00 177.39 175.62 1hbm s HIS 87 N -1.04 3.08 0.31 -1.77 2.46 -0.98 -4.93 115.29 112.42 1hbm s HIS 87 Ca 0.19 1.12 -0.01 0.00 0.47 0.00 0.00 55.06 56.83 1hbm s HIS 87 Cb 0.12 -3.75 0.50 0.00 -0.13 0.00 0.00 32.58 29.31 1hbm s HIS 87 CO 0.17 -2.38 1.98 0.27 -2.47 0.00 0.00 174.74 172.30 1hbm h PHE 88 N 4.89 0.97 -0.72 3.88 -5.15 -1.90 -1.87 116.94 117.06 1hbm h PHE 88 Ca -0.46 0.02 0.07 0.00 -0.20 0.00 0.00 57.97 57.41 1hbm h PHE 88 Cb 1.22 -0.33 -0.05 0.00 0.22 0.00 0.00 35.95 37.01 1hbm h PHE 88 CO 0.60 0.61 0.47 0.28 -2.00 0.00 0.00 178.31 178.27 1hbm h VAL 89 N 1.05 0.99 -0.29 0.88 2.07 -1.94 -2.95 116.25 116.05 1hbm h VAL 89 Ca 0.29 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1hbm h VAL 89 Cb -0.11 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1hbm h VAL 89 CO -0.06 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.24 1hbm n ASN 90 N -4.48 2.36 -3.73 0.57 3.02 -0.73 -4.82 115.26 107.44 1hbm n ASN 90 Ca 0.11 -1.85 -0.29 0.00 -0.03 0.00 0.00 54.58 52.52 1hbm n ASN 90 Cb 0.26 -0.19 -0.16 0.00 -0.61 0.00 0.00 39.78 39.09 1hbm n ASN 90 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1hbm s ASN 91 N -1.43 3.45 0.36 6.41 3.84 -1.04 -4.86 114.94 121.66 1hbm s ASN 91 Ca 0.34 -1.19 0.18 0.00 0.21 0.00 0.00 52.86 52.40 1hbm s ASN 91 Cb 0.19 -0.72 0.59 0.00 -0.55 0.00 0.00 41.25 40.76 1hbm s ASN 91 CO 0.27 -0.35 1.69 0.00 -2.79 0.00 0.00 177.10 175.92 1hbm h ALA 92 N 8.18 0.96 -0.64 1.71 0.00 -1.83 -2.49 119.26 125.14 1hbm h ALA 92 Ca -0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1hbm h ALA 92 Cb 1.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1hbm h ALA 92 CO 0.40 0.51 0.30 0.00 0.00 0.00 0.00 179.25 180.46 1hbm h ALA 93 N 1.59 0.83 -0.58 0.00 0.00 -1.86 -0.57 119.26 118.67 1hbm h ALA 93 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1hbm h ALA 93 Cb 0.96 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1hbm h ALA 93 CO 0.05 0.41 0.21 0.52 0.00 0.00 0.00 179.25 180.45 1hbm h MET 94 N 0.89 0.87 -0.41 0.00 2.86 -1.79 -0.25 114.93 117.10 1hbm h MET 94 Ca 0.22 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1hbm h MET 94 Cb 0.14 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1hbm h MET 94 CO -0.03 0.76 0.06 1.96 1.06 0.00 0.00 176.91 180.73 1hbm h GLN 95 N 0.80 0.69 -0.20 1.72 4.20 -1.36 -2.84 115.11 118.11 1hbm h GLN 95 Ca 0.19 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1hbm h GLN 95 Cb 0.23 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1hbm h GLN 95 CO -0.01 0.73 -0.23 0.37 -0.67 0.00 0.00 178.83 179.02 1hbm h GLN 96 N 0.54 0.37 -0.35 1.46 5.75 -0.95 -1.35 115.11 120.58 1hbm h GLN 96 Ca 0.12 -0.13 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1hbm h GLN 96 Cb 0.38 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 1hbm h GLN 96 CO 0.01 0.59 0.04 1.98 -2.65 0.00 0.00 178.83 178.79 1hbm h MET 97 N 0.33 0.14 -0.46 1.69 4.05 -0.87 0.29 114.93 120.10 1hbm h MET 97 Ca 0.05 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1hbm h MET 97 Cb 0.60 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1hbm h MET 97 CO 0.04 0.09 0.09 2.35 0.23 0.00 0.00 176.91 179.72 1hbm h TRP 98 N 0.15 0.79 -1.01 1.39 -0.00 -1.28 -2.70 115.95 113.29 1hbm h TRP 98 Ca 0.17 -0.10 0.02 0.00 -0.00 0.00 0.00 58.89 58.98 1hbm h TRP 98 Cb 0.22 -0.22 -0.05 0.00 -0.00 0.00 0.00 29.16 29.10 1hbm h TRP 98 CO -0.21 0.73 0.66 -0.44 -0.00 0.00 0.00 178.44 179.18 1hbm h ASP 99 N 0.62 1.13 -0.32 2.65 3.32 -0.93 0.15 116.42 123.04 1hbm h ASP 99 Ca 0.14 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1hbm h ASP 99 Cb 0.35 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1hbm h ASP 99 CO 0.01 0.80 0.01 0.44 -1.72 0.00 0.00 179.24 178.77 1hbm h ASP 100 N 1.32 0.63 -0.04 6.45 5.19 -0.78 -0.81 116.42 128.38 1hbm h ASP 100 Ca 0.38 -0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 1hbm h ASP 100 Cb -0.08 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.26 1hbm h ASP 100 CO -0.10 0.70 -0.28 0.40 -3.12 0.00 0.00 179.24 176.84 1hbm h ILE 101 N 0.63 1.46 -0.45 0.35 2.04 -1.10 -3.29 117.51 117.16 1hbm h ILE 101 Ca 0.13 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1hbm h ILE 101 Cb 0.39 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1hbm h ILE 101 CO 0.01 0.49 0.28 -0.09 0.00 0.00 0.00 178.15 178.85 1hbm h ARG 102 N -0.28 0.59 -0.27 2.37 2.43 -0.44 -2.60 114.38 116.18 1hbm h ARG 102 Ca -0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1hbm h ARG 102 Cb 0.95 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1hbm h ARG 102 CO 0.06 0.40 0.00 2.89 -1.51 0.00 0.00 179.97 181.81 1hbm n ARG 103 N -4.46 2.00 -4.22 0.20 1.85 -0.33 -4.76 116.66 106.94 1hbm n ARG 103 Ca 0.04 -1.51 -0.35 0.00 -1.00 0.00 0.00 57.85 55.03 1hbm n ARG 103 Cb 0.07 -1.42 -0.09 0.00 -1.05 0.00 0.00 32.46 29.97 1hbm n ARG 103 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1hbm s THR 104 N -1.66 4.64 0.01 8.89 2.01 -0.98 -1.03 115.64 127.52 1hbm s THR 104 Ca 0.34 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1hbm s THR 104 Cb 0.19 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1hbm s THR 104 CO 0.27 0.59 0.02 0.68 -0.69 0.00 0.00 174.62 175.49 1hbm s VAL 105 N -0.78 0.09 -0.18 3.82 -7.23 -0.60 -4.48 120.40 111.05 1hbm s VAL 105 Ca 0.12 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.47 1hbm s VAL 105 Cb -0.12 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 1hbm s VAL 105 CO 0.03 -0.42 0.01 -0.63 -0.31 0.00 0.00 175.10 173.77 1hbm s ILE 106 N -1.29 4.24 -0.10 -0.62 1.01 -1.03 -1.50 121.20 121.91 1hbm s ILE 106 Ca -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1hbm s ILE 106 Cb -0.08 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.53 1hbm s ILE 106 CO -0.00 0.46 0.04 -0.69 0.00 0.00 0.00 174.94 174.75 1hbm s VAL 107 N 0.54 0.19 0.83 2.92 1.01 0.01 -0.81 120.40 125.10 1hbm s VAL 107 Ca -0.00 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1hbm s VAL 107 Cb -0.14 -0.51 0.10 0.00 0.00 0.00 0.00 36.38 35.83 1hbm s VAL 107 CO 0.02 0.08 1.13 -0.83 0.00 0.00 0.00 175.10 175.50 1hbm s GLY 108 N 2.04 1.77 0.00 4.51 0.00 0.05 -0.41 107.32 115.28 1hbm s GLY 108 Ca 0.04 0.50 0.09 0.00 0.00 0.00 0.00 44.72 45.35 1hbm s GLY 108 CO -0.06 0.89 1.11 1.04 0.00 0.00 0.00 173.10 176.08 1hbm n LEU 109 N -3.76 2.53 -0.03 0.66 4.77 -0.68 -4.74 117.00 115.74 1hbm n LEU 109 Ca 0.11 -1.73 -0.14 0.00 -0.03 0.00 0.00 56.01 54.22 1hbm n LEU 109 Cb 0.52 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1hbm n LEU 109 CO 0.50 0.61 0.48 0.78 -1.33 0.00 0.00 177.39 178.43 1hbm h ASN 110 N 1.80 0.25 -0.43 -1.43 2.35 -1.93 0.47 115.58 116.66 1hbm h ASN 110 Ca 0.00 -0.66 -0.12 0.00 -0.55 0.00 0.00 56.30 54.97 1hbm h ASN 110 Cb 0.62 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1hbm h ASN 110 CO 0.00 0.87 -0.19 0.45 -1.65 0.00 0.00 177.43 176.91 1hbm h HIS 111 N -0.35 1.02 -0.20 1.19 3.86 -1.96 -2.82 115.15 115.89 1hbm h HIS 111 Ca -0.01 -0.25 0.05 0.00 -1.16 0.00 0.00 60.37 59.00 1hbm h HIS 111 Cb 0.86 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 29.05 1hbm h HIS 111 CO 0.14 1.03 -0.09 0.00 0.86 0.00 0.00 177.93 179.87 1hbm h ALA 112 N 0.84 0.09 -0.60 2.45 0.00 -1.84 0.02 119.26 120.21 1hbm h ALA 112 Ca 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1hbm h ALA 112 Cb 0.75 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1hbm h ALA 112 CO 0.06 -0.51 0.29 0.45 0.00 0.00 0.00 179.25 179.54 1hbm h HIS 113 N -0.06 0.84 -0.56 0.00 -0.00 -0.91 -2.04 115.15 112.42 1hbm h HIS 113 Ca 0.11 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 1hbm h HIS 113 Cb 0.22 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 1hbm h HIS 113 CO -0.25 0.62 0.10 0.00 -0.00 0.00 0.00 177.93 178.39 1hbm h ALA 114 N 1.47 1.12 -0.46 2.45 0.00 -1.17 -1.80 119.26 120.87 1hbm h ALA 114 Ca 0.21 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1hbm h ALA 114 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1hbm h ALA 114 CO -0.03 0.58 0.26 0.28 0.00 0.00 0.00 179.25 180.35 1hbm h VAL 115 N 0.84 1.03 -0.08 0.00 2.07 -0.40 0.53 116.25 120.25 1hbm h VAL 115 Ca 0.18 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1hbm h VAL 115 Cb 0.37 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1hbm h VAL 115 CO 0.01 0.10 -0.06 0.40 0.02 0.00 0.00 177.57 178.04 1hbm h ILE 116 N 0.53 0.83 -0.12 4.57 2.04 -1.14 -0.73 117.51 123.49 1hbm h ILE 116 Ca 0.19 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.83 1hbm h ILE 116 Cb 0.03 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1hbm h ILE 116 CO -0.09 0.00 -0.79 -0.33 0.00 0.00 0.00 178.15 176.94 1hbm h GLU 117 N -0.06 0.69 0.06 2.37 5.08 -1.21 -0.89 114.58 120.62 1hbm h GLU 117 Ca 0.05 -0.58 -0.38 0.00 -1.00 0.00 0.00 59.36 57.46 1hbm h GLU 117 Cb 0.14 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1hbm h GLU 117 CO -0.12 1.19 -2.22 1.63 -1.00 0.00 0.00 179.01 178.49 1hbm n LYS 118 N -3.90 0.71 -0.00 2.33 5.02 0.17 -3.03 118.16 119.45 1hbm n LYS 118 Ca -0.07 0.21 -0.21 0.00 -2.02 0.00 0.00 58.31 56.21 1hbm n LYS 118 Cb 0.75 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 34.00 1hbm n LYS 118 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1hbm n ARG 119 N -3.37 0.75 0.04 1.97 0.63 -0.33 -4.36 116.66 111.98 1hbm n ARG 119 Ca -0.38 0.27 0.01 0.00 -0.92 0.00 0.00 57.85 56.83 1hbm n ARG 119 Cb 1.02 -1.70 -0.08 0.00 0.45 0.00 0.00 32.46 32.15 1hbm n ARG 119 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1hbm n LEU 120 N -3.53 0.84 -0.69 6.15 4.77 -0.90 -4.99 117.00 118.65 1hbm n LEU 120 Ca -0.32 0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1hbm n LEU 120 Cb 1.03 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1hbm n LEU 120 CO 0.41 0.12 -0.04 0.61 -1.33 0.00 0.00 177.39 177.16 1hbm n GLY 121 N 1.38 0.26 3.76 -0.72 0.00 -0.45 -5.00 105.19 104.42 1hbm n GLY 121 Ca -0.09 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1hbm n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hbm s LYS 122 N -4.46 2.33 0.06 1.61 1.02 -0.57 -4.97 119.74 114.76 1hbm s LYS 122 Ca 0.03 -1.69 -0.05 0.00 0.02 0.00 0.00 55.97 54.28 1hbm s LYS 122 Cb -0.01 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 1hbm s LYS 122 CO 0.03 -0.05 0.30 -1.83 -0.92 0.00 0.00 175.35 172.88 1hbm s GLU 123 N -3.93 3.58 -0.13 1.68 -1.05 -1.26 -3.75 118.70 113.84 1hbm s GLU 123 Ca 0.41 -0.13 0.02 0.00 -0.15 0.00 0.00 54.97 55.12 1hbm s GLU 123 Cb 0.00 -3.00 -0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1hbm s GLU 123 CO 0.24 0.59 -0.19 0.08 0.95 0.00 0.00 175.26 176.92 1hbm s VAL 124 N -1.44 2.39 0.29 1.83 1.01 -1.26 -4.99 120.40 118.24 1hbm s VAL 124 Ca 0.33 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1hbm s VAL 124 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1hbm s VAL 124 CO 0.21 0.54 0.17 0.42 0.00 0.00 0.00 175.10 176.44 1hbm s THR 125 N 0.59 0.22 0.36 3.92 -4.23 -1.26 -4.99 115.64 110.26 1hbm s THR 125 Ca -0.11 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1hbm s THR 125 Cb -0.16 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.48 1hbm s THR 125 CO 0.03 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.39 1hbm h PRO 126 N 2.27 0.70 -0.35 3.99 0.11 -1.95 -0.38 132.00 136.39 1hbm h PRO 126 Ca -0.33 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1hbm h PRO 126 Cb 1.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1hbm h PRO 126 CO 0.50 0.46 -0.01 0.93 -0.21 0.00 0.00 178.00 179.67 1hbm h GLU 127 N 0.72 0.62 -0.19 1.05 5.08 -1.96 -1.52 114.58 118.37 1hbm h GLU 127 Ca 0.37 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1hbm h GLU 127 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1hbm h GLU 127 CO -0.14 0.74 -0.40 1.79 -1.00 0.00 0.00 179.01 180.00 1hbm h THR 128 N 0.42 1.30 -0.24 1.13 1.35 -1.73 -1.95 112.91 113.19 1hbm h THR 128 Ca 0.10 -1.54 -0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1hbm h THR 128 Cb 0.47 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1hbm h THR 128 CO 0.02 0.48 0.13 0.40 -0.25 0.00 0.00 175.52 176.29 1hbm h ILE 129 N 0.36 1.13 -0.57 6.82 2.04 -1.07 -0.45 117.51 125.77 1hbm h ILE 129 Ca 0.03 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1hbm h ILE 129 Cb 0.86 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1hbm h ILE 129 CO 0.07 0.13 0.33 0.74 0.00 0.00 0.00 178.15 179.41 1hbm h THR 130 N 0.27 1.02 -0.49 -0.27 2.02 -1.15 0.47 112.91 114.79 1hbm h THR 130 Ca 0.08 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1hbm h THR 130 Cb 0.09 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1hbm h THR 130 CO -0.01 0.12 0.32 -0.74 0.37 0.00 0.00 175.52 175.57 1hbm h HIS 131 N 0.63 0.61 -0.81 3.16 -0.00 -1.19 -0.20 115.15 117.35 1hbm h HIS 131 Ca 0.24 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.69 1hbm h HIS 131 Cb 0.08 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.22 1hbm h HIS 131 CO -0.07 0.39 0.48 -0.92 -0.00 0.00 0.00 177.93 177.81 1hbm h TYR 132 N 0.66 0.89 -0.09 5.26 3.20 -0.62 -1.57 116.97 124.69 1hbm h TYR 132 Ca 0.18 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.92 1hbm h TYR 132 Cb -0.07 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 1hbm h TYR 132 CO -0.04 0.42 -0.63 -0.07 -1.64 0.00 0.00 178.16 176.20 1hbm h LEU 133 N 0.86 0.40 -0.72 2.82 3.38 -0.33 0.31 115.31 122.03 1hbm h LEU 133 Ca 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1hbm h LEU 133 Cb 0.23 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1hbm h LEU 133 CO -0.19 0.92 0.37 -0.08 0.09 0.00 0.00 178.44 179.55 1hbm h GLU 134 N 0.25 1.02 -0.18 1.13 4.81 -0.83 -1.74 114.58 119.04 1hbm h GLU 134 Ca -0.01 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1hbm h GLU 134 Cb 1.16 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1hbm h GLU 134 CO 0.10 0.78 0.06 1.15 -0.73 0.00 0.00 179.01 180.37 1hbm h THR 135 N 1.00 1.18 0.00 0.32 2.02 -0.93 -2.94 112.91 113.56 1hbm h THR 135 Ca 0.25 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 1hbm h THR 135 Cb 0.07 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1hbm h THR 135 CO -0.04 0.18 -0.38 1.62 0.37 0.00 0.00 175.52 177.28 1hbm h VAL 136 N 0.12 0.90 0.00 3.16 3.04 -0.91 -1.36 116.25 121.20 1hbm h VAL 136 Ca 0.06 -1.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 1hbm h VAL 136 Cb 0.22 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1hbm h VAL 136 CO -0.00 0.37 0.00 0.78 -1.01 0.00 0.00 177.57 177.71 1hbm h ASN 137 N 0.00 0.00 0.04 3.17 2.35 -1.26 0.85 115.58 120.73 1hbm h ASN 137 Ca -0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1hbm h ASN 137 Cb 0.89 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.27 1hbm h ASN 137 CO 0.05 0.00 -0.59 -0.74 -1.65 0.00 0.00 177.43 174.49 1hbm h HIS 138 N 0.00 0.51 -0.05 1.19 2.76 -1.28 -3.40 115.15 114.87 1hbm h HIS 138 Ca 0.00 -0.31 -0.22 0.00 -2.20 0.00 0.00 60.37 57.64 1hbm h HIS 138 Cb 0.69 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.61 1hbm h HIS 138 CO 0.00 1.16 -0.88 0.00 -1.30 0.00 0.00 177.93 176.92 1hbm h ALA 139 N 0.22 0.36 -0.87 5.26 0.00 -1.06 -3.32 119.26 119.84 1hbm h ALA 139 Ca -0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1hbm h ALA 139 Cb 1.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1hbm h ALA 139 CO 0.11 0.75 0.52 1.98 0.00 0.00 0.00 179.25 182.62 1hbm h MET 140 N 0.34 1.18 0.00 0.00 -1.53 -1.05 0.13 114.93 114.00 1hbm h MET 140 Ca -0.07 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.08 1hbm h MET 140 Cb 1.50 -0.25 0.00 0.00 -0.55 0.00 0.00 31.60 32.30 1hbm h MET 140 CO 0.16 0.83 0.00 -2.30 0.14 0.00 0.00 176.91 175.74 1hbm n PRO 141 N -4.36 0.16 0.00 0.39 -0.02 -1.26 -4.81 135.00 125.09 1hbm n PRO 141 Ca 0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1hbm n PRO 141 Cb 0.06 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1hbm n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hbm n GLY 142 N -0.18 0.99 3.28 -1.23 0.00 -0.00 -4.76 105.19 103.28 1hbm n GLY 142 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1hbm n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbm s ALA 143 N -0.43 1.61 0.16 4.61 0.00 -0.99 -1.41 121.76 125.30 1hbm s ALA 143 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 1hbm s ALA 143 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1hbm s ALA 143 CO 0.00 -0.08 0.38 0.00 0.00 0.00 0.00 175.76 176.06 1hbm s ALA 144 N -3.26 3.80 0.00 0.00 0.00 -1.26 -4.35 121.76 116.70 1hbm s ALA 144 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1hbm s ALA 144 Cb 0.02 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1hbm s ALA 144 CO 0.03 0.62 0.00 1.33 0.00 0.00 0.00 175.76 177.73 1hbm n VAL 145 N -0.09 0.00 0.02 0.00 0.24 -1.26 -4.95 118.33 112.30 1hbm n VAL 145 Ca -0.03 -0.06 -0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1hbm n VAL 145 Cb 0.52 0.43 -0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1hbm n VAL 145 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1hbm n VAL 146 N -0.73 0.55 -2.87 3.34 0.31 -1.26 -5.00 118.33 112.67 1hbm n VAL 146 Ca 0.00 0.17 -0.32 0.00 -0.01 0.00 0.00 64.34 64.19 1hbm n VAL 146 Cb 0.00 -1.54 -0.05 0.00 -0.91 0.00 0.00 33.84 31.34 1hbm n VAL 146 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1hbm s GLN 147 N -2.01 3.93 0.45 5.55 -0.21 -1.26 -5.06 119.66 121.05 1hbm s GLN 147 Ca -0.00 0.69 -0.19 0.00 0.02 0.00 0.00 55.36 55.87 1hbm s GLN 147 Cb 0.00 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.57 1hbm s GLN 147 CO 0.01 -0.01 0.95 -2.00 -2.12 0.00 0.00 175.29 172.11 1hbm s GLU 148 N -3.52 4.14 -0.94 2.91 2.56 -1.26 -4.28 118.70 118.31 1hbm s GLU 148 Ca 0.55 1.04 -0.05 0.00 0.00 0.00 0.00 54.97 56.51 1hbm s GLU 148 Cb -0.10 -2.18 0.01 0.00 2.00 0.00 0.00 34.13 33.85 1hbm s GLU 148 CO 0.25 -0.08 0.64 1.58 -0.56 0.00 0.00 175.26 177.08 1hbm n HIS 149 N -0.88 -1.68 -3.14 5.30 -0.00 -1.26 -5.01 115.22 108.56 1hbm n HIS 149 Ca 0.07 0.55 -0.37 0.00 0.46 0.00 0.00 57.72 58.43 1hbm n HIS 149 Cb 0.54 -3.53 -0.06 0.00 -0.12 0.00 0.00 29.99 26.82 1hbm n HIS 149 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1hbm s MET 150 N -5.66 4.24 0.07 1.57 -1.94 -1.26 -5.10 119.30 111.23 1hbm s MET 150 Ca 0.32 0.84 0.05 0.00 -1.71 0.00 0.00 55.69 55.18 1hbm s MET 150 Cb -0.14 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 1hbm s MET 150 CO 0.39 0.44 -0.03 0.14 -0.01 0.00 0.00 175.02 175.95 1hbm s VAL 151 N -1.44 3.82 0.15 -6.03 -7.23 -1.26 -5.02 120.40 103.38 1hbm s VAL 151 Ca 0.40 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1hbm s VAL 151 Cb -0.17 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1hbm s VAL 151 CO 0.21 0.18 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.57 1hbm s GLU 152 N -2.08 1.01 0.51 4.82 2.02 -1.26 -4.95 118.70 118.76 1hbm s GLU 152 Ca 0.23 -1.47 -0.19 0.00 0.02 0.00 0.00 54.97 53.56 1hbm s GLU 152 Cb -0.11 -0.17 -0.08 0.00 0.10 0.00 0.00 34.13 33.87 1hbm s GLU 152 CO 0.15 -0.12 1.03 0.95 0.02 0.00 0.00 175.26 177.28 1hbm s THR 153 N -3.71 3.92 -0.19 3.63 -4.23 -0.50 -4.99 115.64 109.57 1hbm s THR 153 Ca 0.21 1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 61.53 1hbm s THR 153 Cb 0.06 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 1hbm s THR 153 CO 0.01 -0.35 1.63 -2.28 -0.54 0.00 0.00 174.62 173.10 1hbm s HIS 154 N -2.16 2.08 0.40 3.99 2.46 -1.26 -4.90 115.29 115.90 1hbm s HIS 154 Ca 0.65 0.49 0.17 0.00 0.47 0.00 0.00 55.06 56.84 1hbm s HIS 154 Cb -0.15 -3.95 1.05 0.00 -0.13 0.00 0.00 32.58 29.40 1hbm s HIS 154 CO 0.24 -3.10 1.81 -1.35 -2.47 0.00 0.00 174.74 169.87 1hbm h PRO 155 N 10.55 0.43 0.00 2.88 0.11 -1.95 0.21 132.00 144.23 1hbm h PRO 155 Ca -0.35 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 1hbm h PRO 155 Cb 1.16 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1hbm h PRO 155 CO 0.99 0.29 -0.32 0.00 -0.21 0.00 0.00 178.00 178.75 1hbm h ALA 156 N 1.61 0.89 0.00 -0.75 0.00 -2.00 -2.61 119.26 116.41 1hbm h ALA 156 Ca 0.54 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1hbm h ALA 156 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1hbm h ALA 156 CO -0.25 0.40 -0.24 -0.07 0.00 0.00 0.00 179.25 179.10 1hbm h LEU 157 N 0.00 0.00 -3.26 0.00 3.38 -1.33 -3.30 115.31 110.80 1hbm h LEU 157 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1hbm h LEU 157 Cb 1.01 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 1hbm h LEU 157 CO 0.04 0.24 -0.49 1.33 0.09 0.00 0.00 178.44 179.65 1hbm n VAL 158 N -3.33 2.37 0.29 1.22 0.24 -1.12 -4.66 118.33 113.33 1hbm n VAL 158 Ca 0.01 -3.41 0.18 0.00 -2.04 0.00 0.00 64.34 59.08 1hbm n VAL 158 Cb 0.47 -0.49 0.82 0.00 -1.47 0.00 0.00 33.84 33.17 1hbm n VAL 158 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hbm h ALA 159 N 1.31 1.01 -0.01 2.33 0.00 -1.56 -2.37 119.26 119.97 1hbm h ALA 159 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hbm h ALA 159 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1hbm h ALA 159 CO 0.28 0.01 -0.12 -0.40 0.00 0.00 0.00 179.25 179.02 1hbm n ASP 160 N -3.11 0.84 -4.79 0.00 5.75 -1.26 -4.88 116.55 109.09 1hbm n ASP 160 Ca -0.00 -0.92 -0.38 0.00 -0.01 0.00 0.00 54.79 53.47 1hbm n ASP 160 Cb 0.25 0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 1hbm n ASP 160 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1hbm s SER 161 N -2.33 6.94 0.13 -1.12 0.15 -0.89 -4.87 113.70 111.71 1hbm s SER 161 Ca 0.31 1.12 -0.25 0.00 0.70 0.00 0.00 55.95 57.83 1hbm s SER 161 Cb 0.20 -2.33 0.08 0.00 -1.71 0.00 0.00 66.02 62.26 1hbm s SER 161 CO 0.45 0.21 1.07 -0.72 1.20 0.00 0.00 173.24 175.45 1hbm s TYR 162 N -0.68 -0.02 -0.06 3.44 -0.85 -0.93 -4.71 117.35 113.53 1hbm s TYR 162 Ca 0.28 -0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1hbm s TYR 162 Cb -0.18 0.64 0.02 0.00 0.38 0.00 0.00 41.96 42.82 1hbm s TYR 162 CO 0.16 -0.73 -0.07 0.08 -1.52 0.00 0.00 175.55 173.46 1hbm s VAL 163 N -2.57 0.81 0.39 -3.49 1.01 -1.26 -1.47 120.40 113.81 1hbm s VAL 163 Ca 0.18 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1hbm s VAL 163 Cb -0.01 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 1hbm s VAL 163 CO 0.02 0.29 -0.00 -0.54 0.00 0.00 0.00 175.10 174.88 1hbm s LYS 164 N 0.99 1.96 0.26 2.72 1.02 -0.78 -4.89 119.74 121.01 1hbm s LYS 164 Ca -0.09 -2.02 0.08 0.00 0.02 0.00 0.00 55.97 53.96 1hbm s LYS 164 Cb -0.15 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 1hbm s LYS 164 CO 0.00 0.00 -0.12 0.14 -0.92 0.00 0.00 175.35 174.45 1hbm s VAL 165 N -2.66 1.89 0.09 3.17 -7.23 0.22 -0.80 120.40 115.09 1hbm s VAL 165 Ca 0.35 -2.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.26 1hbm s VAL 165 Cb 0.07 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 1hbm s VAL 165 CO 0.18 -0.43 0.08 0.72 -0.31 0.00 0.00 175.10 175.34 1hbm s PHE 166 N -2.87 0.52 -0.03 2.82 -0.12 -0.65 -0.96 117.98 116.69 1hbm s PHE 166 Ca 0.27 -0.98 -0.30 0.00 -0.05 0.00 0.00 56.93 55.87 1hbm s PHE 166 Cb 0.00 -0.31 0.07 0.00 -0.63 0.00 0.00 43.02 42.16 1hbm s PHE 166 CO 0.11 -0.49 0.69 -0.08 -0.05 0.00 0.00 175.22 175.39 1hbm s THR 167 N -3.95 0.00 -0.92 -4.49 -1.32 -1.26 -1.88 115.64 101.82 1hbm s THR 167 Ca 0.12 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.88 1hbm s THR 167 Cb 0.07 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.30 1hbm s THR 167 CO -0.06 0.00 1.87 0.61 -2.21 0.00 0.00 174.62 174.83 1hbm n GLY 168 N 0.77 -1.53 3.54 6.08 0.00 -0.37 -4.67 105.19 109.01 1hbm n GLY 168 Ca -0.18 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1hbm n GLY 168 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hbm s ASN 169 N -3.42 6.37 0.21 1.61 3.84 -1.12 -4.82 114.94 117.61 1hbm s ASN 169 Ca 0.13 -0.20 -0.10 0.00 0.21 0.00 0.00 52.86 52.89 1hbm s ASN 169 Cb 0.17 -2.47 0.15 0.00 -0.55 0.00 0.00 41.25 38.55 1hbm s ASN 169 CO 0.54 -1.31 1.88 0.44 -2.79 0.00 0.00 177.10 175.86 1hbm h ASP 170 N 9.39 0.86 -0.53 -4.21 3.32 -1.95 -1.03 116.42 122.27 1hbm h ASP 170 Ca -0.26 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1hbm h ASP 170 Cb 1.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1hbm h ASP 170 CO 1.12 0.62 0.24 -0.33 -1.72 0.00 0.00 179.24 179.17 1hbm h GLU 171 N 1.02 0.77 -0.27 3.56 3.07 -1.98 0.71 114.58 121.46 1hbm h GLU 171 Ca 0.27 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 1hbm h GLU 171 Cb -0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 1hbm h GLU 171 CO -0.06 0.65 0.06 0.82 -1.40 0.00 0.00 179.01 179.09 1hbm h ILE 172 N 0.71 1.22 -0.61 3.13 2.04 -1.91 -2.96 117.51 119.13 1hbm h ILE 172 Ca 0.18 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1hbm h ILE 172 Cb 0.15 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 1hbm h ILE 172 CO -0.02 0.23 0.29 0.00 0.00 0.00 0.00 178.15 178.66 1hbm h ALA 173 N 0.89 0.81 -0.77 1.87 0.00 -0.96 -1.24 119.26 119.85 1hbm h ALA 173 Ca 0.09 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.26 1hbm h ALA 173 Cb 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1hbm h ALA 173 CO 0.00 -0.08 0.55 -0.44 0.00 0.00 0.00 179.25 179.28 1hbm h ASP 174 N 0.54 0.06 1.39 0.00 3.32 -0.78 -2.63 116.42 118.32 1hbm h ASP 174 Ca 0.29 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1hbm h ASP 174 Cb 0.26 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1hbm h ASP 174 CO -0.23 0.03 -0.58 -0.33 -1.72 0.00 0.00 179.24 176.41 1hbm h GLU 175 N 0.06 0.00 -6.75 3.56 4.39 -1.06 -3.46 114.58 111.33 1hbm h GLU 175 Ca 0.37 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.58 1hbm h GLU 175 Cb 1.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 1hbm h GLU 175 CO -0.03 0.00 0.26 0.42 -1.16 0.00 0.00 179.01 178.50 1hbm s ILE 176 N -3.29 4.32 -0.05 3.13 1.01 -0.99 -4.83 121.20 120.50 1hbm s ILE 176 Ca 0.03 1.67 -0.37 0.00 0.00 0.00 0.00 60.65 61.98 1hbm s ILE 176 Cb 0.08 -4.00 -0.16 0.00 0.01 0.00 0.00 42.46 38.39 1hbm s ILE 176 CO 0.74 0.22 1.56 -0.67 0.00 0.00 0.00 174.94 176.80 1hbm n ASP 177 N 0.78 2.24 0.24 3.58 4.64 -1.26 -4.83 116.55 121.94 1hbm n ASP 177 Ca -0.00 1.08 0.17 0.00 -1.38 0.00 0.00 54.79 54.66 1hbm n ASP 177 Cb 0.50 -1.22 0.82 0.00 -1.04 0.00 0.00 41.12 40.18 1hbm n ASP 177 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1hbm h PRO 178 N 6.12 0.00 -0.35 -0.67 0.13 -1.91 -2.18 132.00 133.14 1hbm h PRO 178 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1hbm h PRO 178 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1hbm h PRO 178 CO 0.87 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.88 1hbm h ALA 179 N 2.04 2.01 -0.22 -0.56 0.00 -2.01 -2.72 119.26 117.80 1hbm h ALA 179 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hbm h ALA 179 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1hbm h ALA 179 CO 0.00 -0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.36 1hbm n PHE 180 N -4.48 0.28 -4.65 0.00 0.99 -0.82 -4.97 117.46 103.80 1hbm n PHE 180 Ca 0.04 -0.14 -0.33 0.00 -0.00 0.00 0.00 57.45 57.02 1hbm n PHE 180 Cb 0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.59 1hbm n PHE 180 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1hbm s VAL 181 N -1.72 3.36 -0.52 -4.37 1.01 -1.03 -0.61 120.40 116.52 1hbm s VAL 181 Ca 0.35 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1hbm s VAL 181 Cb 0.21 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1hbm s VAL 181 CO 0.30 0.52 1.04 -0.63 0.00 0.00 0.00 175.10 176.33 1hbm s ILE 182 N 0.23 4.28 -0.57 2.22 1.01 -0.13 -4.93 121.20 123.31 1hbm s ILE 182 Ca -0.06 0.74 -0.27 0.00 0.00 0.00 0.00 60.65 61.06 1hbm s ILE 182 Cb -0.15 -4.57 0.03 0.00 0.01 0.00 0.00 42.46 37.79 1hbm s ILE 182 CO 0.04 -1.07 1.13 -0.62 0.00 0.00 0.00 174.94 174.42 1hbm s ASP 183 N 2.63 6.42 0.27 3.58 -1.08 -1.26 -4.68 116.67 122.56 1hbm s ASP 183 Ca 0.39 -0.01 0.01 0.00 -0.52 0.00 0.00 52.55 52.42 1hbm s ASP 183 Cb -0.09 -2.52 0.39 0.00 -1.46 0.00 0.00 42.92 39.23 1hbm s ASP 183 CO 0.25 -1.41 1.74 0.40 0.52 0.00 0.00 175.17 176.67 1hbm h ILE 184 N 6.12 1.25 0.00 4.11 2.04 -1.94 -1.86 117.51 127.22 1hbm h ILE 184 Ca -0.25 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.41 1hbm h ILE 184 Cb 1.06 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1hbm h ILE 184 CO 1.16 0.37 -0.39 0.78 0.00 0.00 0.00 178.15 180.07 1hbm h ASN 185 N 0.56 0.00 0.28 1.72 2.35 -1.92 -2.52 115.58 116.06 1hbm h ASN 185 Ca 0.10 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.54 1hbm h ASN 185 Cb 0.56 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.96 1hbm h ASN 185 CO 0.04 0.39 -1.35 0.50 -1.65 0.00 0.00 177.43 175.36 1hbm h LYS 186 N 0.00 0.53 0.00 0.81 3.64 -1.85 -3.38 116.57 116.32 1hbm h LYS 186 Ca -0.00 -0.82 -0.02 0.00 -1.27 0.00 0.00 60.65 58.54 1hbm h LYS 186 Cb 0.88 0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1hbm h LYS 186 CO 0.05 1.38 -0.86 1.96 -2.27 0.00 0.00 179.45 179.72 1hbm h GLN 187 N 0.18 0.00 -6.49 1.90 1.08 -1.30 -3.46 115.11 107.02 1hbm h GLN 187 Ca -0.21 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.33 1hbm h GLN 187 Cb 2.04 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 29.20 1hbm h GLN 187 CO 0.25 0.05 -0.87 -0.06 -0.95 0.00 0.00 178.83 177.25 1hbm s PHE 188 N -3.28 2.16 0.79 2.96 0.40 -0.95 -4.89 117.98 115.18 1hbm s PHE 188 Ca 0.01 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1hbm s PHE 188 Cb 0.09 -1.32 0.07 0.00 0.51 0.00 0.00 43.02 42.36 1hbm s PHE 188 CO 0.77 0.07 1.17 -0.35 0.70 0.00 0.00 175.22 177.57 1hbm n PRO 189 N 2.02 0.26 -0.11 0.24 -0.04 -1.26 -4.58 135.00 131.52 1hbm n PRO 189 Ca -0.17 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1hbm n PRO 189 Cb 0.52 -2.41 0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1hbm n PRO 189 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1hbm h GLU 190 N -0.78 -0.13 -0.61 0.54 4.81 -1.97 -0.31 114.58 116.14 1hbm h GLU 190 Ca -0.47 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 1hbm h GLU 190 Cb 1.30 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1hbm h GLU 190 CO 0.46 -0.09 0.09 -0.44 -0.73 0.00 0.00 179.01 178.31 1hbm h ASP 191 N -0.13 0.95 -0.52 1.04 3.32 -2.00 -2.04 116.42 117.04 1hbm h ASP 191 Ca 0.19 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1hbm h ASP 191 Cb 0.43 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1hbm h ASP 191 CO -0.47 0.95 -0.05 1.56 -1.72 0.00 0.00 179.24 179.51 1hbm h GLN 192 N 0.94 0.98 -0.65 3.56 4.20 -1.69 -2.65 115.11 119.80 1hbm h GLN 192 Ca 0.19 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1hbm h GLN 192 Cb 0.41 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1hbm h GLN 192 CO 0.01 1.00 0.38 0.00 -0.67 0.00 0.00 178.83 179.55 1hbm h ALA 193 N 1.04 0.82 -0.18 3.87 0.00 -0.78 -1.22 119.26 122.82 1hbm h ALA 193 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1hbm h ALA 193 Cb 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1hbm h ALA 193 CO 0.04 0.31 -0.02 1.49 0.00 0.00 0.00 179.25 181.07 1hbm h GLU 194 N 0.88 0.03 -0.21 0.00 4.81 -1.22 -1.14 114.58 117.73 1hbm h GLU 194 Ca 0.23 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1hbm h GLU 194 Cb -0.01 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1hbm h GLU 194 CO -0.04 0.02 -0.05 1.15 -0.73 0.00 0.00 179.01 179.36 1hbm h THR 195 N 0.03 0.79 -0.47 0.32 2.02 -1.26 -1.88 112.91 112.47 1hbm h THR 195 Ca 0.08 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1hbm h THR 195 Cb 0.11 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1hbm h THR 195 CO -0.16 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.65 1hbm h LEU 196 N 0.00 0.82 -0.78 2.58 3.38 -1.00 -1.65 115.31 118.66 1hbm h LEU 196 Ca 0.10 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1hbm h LEU 196 Cb 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1hbm h LEU 196 CO -0.22 0.93 0.35 0.11 0.09 0.00 0.00 178.44 179.71 1hbm h LYS 197 N 0.68 1.14 -0.87 1.13 1.57 -1.20 -1.64 116.57 117.40 1hbm h LYS 197 Ca 0.13 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hbm h LYS 197 Cb 0.52 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1hbm h LYS 197 CO 0.03 0.90 0.52 0.00 -0.57 0.00 0.00 179.45 180.33 1hbm h ALA 198 N 1.18 1.29 -0.54 3.86 0.00 -1.11 0.23 119.26 124.18 1hbm h ALA 198 Ca 0.27 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1hbm h ALA 198 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1hbm h ALA 198 CO -0.03 0.61 0.05 0.93 0.00 0.00 0.00 179.25 180.81 1hbm h GLU 199 N 1.19 0.92 0.09 0.00 4.39 -0.69 -3.22 114.58 117.27 1hbm h GLU 199 Ca 0.31 -0.27 -0.29 0.00 0.34 0.00 0.00 59.36 59.45 1hbm h GLU 199 Cb -0.05 -0.10 0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1hbm h GLU 199 CO -0.06 0.92 -1.19 0.28 -1.16 0.00 0.00 179.01 177.80 1hbm h VAL 200 N 0.80 1.30 0.00 3.13 2.07 -1.03 -3.49 116.25 119.03 1hbm h VAL 200 Ca 0.16 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1hbm h VAL 200 Cb 0.47 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1hbm h VAL 200 CO 0.02 0.74 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1hbm n GLY 201 N 1.30 2.22 0.32 2.17 0.00 0.80 -2.36 105.19 109.64 1hbm n GLY 201 Ca -0.13 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1hbm n GLY 201 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hbm n ASP 202 N 1.16 0.97 -4.73 1.61 8.00 -1.26 -1.24 116.55 121.06 1hbm n ASP 202 Ca 0.00 -1.49 -0.37 0.00 0.71 0.00 0.00 54.79 53.64 1hbm n ASP 202 Cb 0.00 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.13 1hbm n ASP 202 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1hbm s GLY 203 N -1.72 2.87 -0.11 0.44 0.00 -1.00 -4.89 107.32 102.91 1hbm s GLY 203 Ca 0.34 1.24 0.02 0.00 0.00 0.00 0.00 44.72 46.32 1hbm s GLY 203 CO 0.28 1.67 -0.17 -0.42 0.00 0.00 0.00 173.10 174.46 1hbm s ILE 204 N -1.38 1.66 -0.02 0.90 1.01 -1.26 -4.07 121.20 118.05 1hbm s ILE 204 Ca 0.82 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1hbm s ILE 204 Cb -0.38 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1hbm s ILE 204 CO 0.40 0.47 -0.17 0.26 0.00 0.00 0.00 174.94 175.91 1hbm s TRP 205 N 0.90 1.55 0.00 3.97 0.52 -0.79 -1.69 118.94 123.40 1hbm s TRP 205 Ca -0.08 -0.32 -0.15 0.00 0.02 0.00 0.00 56.10 55.57 1hbm s TRP 205 Cb -0.15 -1.01 -0.06 0.00 -1.15 0.00 0.00 33.47 31.10 1hbm s TRP 205 CO -0.01 -0.05 0.43 -0.65 0.02 0.00 0.00 176.95 176.69 1hbm s GLN 206 N -0.30 3.97 -0.34 4.98 -0.21 0.45 -1.64 119.66 126.57 1hbm s GLN 206 Ca 0.04 0.45 -0.09 0.00 0.02 0.00 0.00 55.36 55.78 1hbm s GLN 206 Cb -0.08 -3.23 0.01 0.00 1.00 0.00 0.00 33.01 30.72 1hbm s GLN 206 CO -0.00 0.67 0.16 0.08 -2.12 0.00 0.00 175.29 174.07 1hbm s VAL 207 N -1.02 4.41 -0.18 1.09 1.01 0.02 -0.81 120.40 124.93 1hbm s VAL 207 Ca 0.24 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1hbm s VAL 207 Cb -0.17 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1hbm s VAL 207 CO 0.14 -0.07 -0.03 -0.69 0.00 0.00 0.00 175.10 174.44 1hbm s VAL 208 N 1.55 3.76 -0.20 2.92 1.01 -0.56 -1.86 120.40 127.02 1hbm s VAL 208 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1hbm s VAL 208 Cb -0.18 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1hbm s VAL 208 CO 0.05 0.46 -0.17 -0.13 0.00 0.00 0.00 175.10 175.32 1hbm s ARG 209 N 0.73 2.97 0.72 2.72 0.52 -0.54 -1.56 118.95 124.51 1hbm s ARG 209 Ca -0.02 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.26 1hbm s ARG 209 Cb -0.14 -2.67 0.06 0.00 0.52 0.00 0.00 34.95 32.71 1hbm s ARG 209 CO 0.02 -0.25 1.04 0.96 0.02 0.00 0.00 175.30 177.09 1hbm s ILE 210 N 1.30 2.32 0.20 1.52 -4.36 -0.20 -2.20 121.20 119.78 1hbm s ILE 210 Ca 0.04 -0.19 -0.30 0.00 -0.26 0.00 0.00 60.65 59.93 1hbm s ILE 210 Cb -0.14 -3.03 -0.09 0.00 1.25 0.00 0.00 42.46 40.45 1hbm s ILE 210 CO -0.11 -0.04 1.29 -2.84 0.24 0.00 0.00 174.94 173.49 1hbm s PRO 211 N -5.30 4.40 0.28 0.37 0.02 -1.26 -4.58 135.00 128.93 1hbm s PRO 211 Ca 0.60 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1hbm s PRO 211 Cb -0.11 -3.20 0.64 0.00 0.02 0.00 0.00 34.50 31.85 1hbm s PRO 211 CO 0.46 -0.23 1.74 1.15 -0.33 0.00 0.00 177.00 179.78 1hbm h THR 212 N 3.75 0.62 -0.78 0.99 2.02 -1.90 -1.46 112.91 116.14 1hbm h THR 212 Ca -0.45 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 66.62 1hbm h THR 212 Cb 1.21 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1hbm h THR 212 CO 0.77 0.10 0.51 -0.29 0.37 0.00 0.00 175.52 176.98 1hbm h ILE 213 N 0.54 1.01 -0.01 3.11 2.10 -1.83 -1.09 117.51 121.34 1hbm h ILE 213 Ca 0.52 -0.28 -0.25 0.00 1.08 0.00 0.00 64.86 65.92 1hbm h ILE 213 Cb 0.85 0.13 0.02 0.00 -1.09 0.00 0.00 36.82 36.74 1hbm h ILE 213 CO -0.43 0.15 -0.98 0.58 -1.08 0.00 0.00 178.15 176.38 1hbm h VAL 214 N 0.81 1.29 -0.80 2.19 2.07 -1.67 -2.32 116.25 117.81 1hbm h VAL 214 Ca 0.34 -2.21 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 1hbm h VAL 214 Cb 0.30 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 1hbm h VAL 214 CO -0.12 0.68 0.44 -1.28 0.02 0.00 0.00 177.57 177.31 1hbm h SER 215 N 0.36 1.00 -0.33 0.57 0.87 -0.85 0.18 113.55 115.34 1hbm h SER 215 Ca -0.12 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.21 1hbm h SER 215 Cb 1.64 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1hbm h SER 215 CO 0.19 0.80 -0.35 0.03 -0.53 0.00 0.00 176.83 176.98 1hbm h ARG 216 N 1.12 0.83 -0.45 2.24 3.08 -1.27 -3.10 114.38 116.83 1hbm h ARG 216 Ca 0.28 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 1hbm h ARG 216 Cb 0.03 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1hbm h ARG 216 CO -0.05 1.08 0.04 1.15 -1.07 0.00 0.00 179.97 181.12 1hbm h THR 217 N 0.61 1.22 0.00 2.04 2.02 -0.99 -3.45 112.91 114.37 1hbm h THR 217 Ca 0.05 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1hbm h THR 217 Cb 0.93 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1hbm h THR 217 CO 0.09 0.31 0.00 0.00 0.37 0.00 0.00 175.52 176.28 1hbm n ASP 219 N 0.00 -1.68 0.06 0.00 5.75 -1.23 -4.94 116.55 114.51 1hbm n ASP 219 Ca 0.00 -2.86 -0.01 0.00 -0.01 0.00 0.00 54.79 51.91 1hbm n ASP 219 Cb 0.00 3.01 0.27 0.00 -1.03 0.00 0.00 41.12 43.36 1hbm n ASP 219 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1hbm h GLY 220 N 2.03 0.38 2.00 6.12 0.00 -1.74 -2.69 103.07 109.16 1hbm h GLY 220 Ca -0.30 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1hbm h GLY 220 CO 0.40 0.27 0.00 0.00 0.00 0.00 0.00 176.54 177.20 1hbm n ALA 221 N -2.48 1.71 0.05 3.60 0.00 -0.72 -2.11 120.51 120.56 1hbm n ALA 221 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 1hbm n ALA 221 Cb 0.38 -1.30 0.24 0.00 0.00 0.00 0.00 19.45 18.77 1hbm n ALA 221 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1hbm h THR 222 N 0.00 1.25 0.07 0.00 2.02 -1.79 -3.38 112.91 111.09 1hbm h THR 222 Ca 0.00 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1hbm h THR 222 Cb 0.31 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1hbm h THR 222 CO 0.00 0.38 -0.04 0.74 0.37 0.00 0.00 175.52 176.96 1hbm h THR 223 N 0.36 0.91 0.00 3.16 2.02 -1.58 0.30 112.91 118.07 1hbm h THR 223 Ca 0.06 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1hbm h THR 223 Cb 0.62 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1hbm h THR 223 CO 0.04 0.00 -0.41 0.77 0.37 0.00 0.00 175.52 176.30 1hbm h SER 224 N -0.11 0.00 0.12 4.18 4.64 -1.79 -1.89 113.55 118.70 1hbm h SER 224 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1hbm h SER 224 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1hbm h SER 224 CO 0.01 0.41 -0.06 0.03 -0.87 0.00 0.00 176.83 176.34 1hbm h ARG 225 N 0.00 -0.16 -0.12 4.77 3.08 -1.63 -1.96 114.38 118.36 1hbm h ARG 225 Ca -0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1hbm h ARG 225 Cb 1.04 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 1hbm h ARG 225 CO 0.05 0.19 -0.08 2.35 -1.07 0.00 0.00 179.97 181.41 1hbm h TRP 226 N -0.53 -0.19 -0.58 3.04 2.91 -0.88 -0.65 115.95 119.08 1hbm h TRP 226 Ca -0.02 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.14 1hbm h TRP 226 Cb 0.42 0.10 -0.10 0.00 -0.51 0.00 0.00 29.16 29.07 1hbm h TRP 226 CO 0.04 -0.13 -0.04 1.03 -1.03 0.00 0.00 178.44 178.31 1hbm h SER 227 N -0.08 -0.34 -0.33 2.65 0.87 -1.43 -2.74 113.55 112.14 1hbm h SER 227 Ca 0.08 0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 1hbm h SER 227 Cb 0.19 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1hbm h SER 227 CO -0.17 -0.13 -0.18 0.00 -0.53 0.00 0.00 176.83 175.82 1hbm h ALA 228 N 1.54 0.90 -0.47 6.23 0.00 -0.36 -1.22 119.26 125.87 1hbm h ALA 228 Ca 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1hbm h ALA 228 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1hbm h ALA 228 CO -0.52 0.63 0.27 0.52 0.00 0.00 0.00 179.25 180.14 1hbm h MET 229 N 0.71 0.65 0.00 0.00 2.86 -0.90 -1.07 114.93 117.18 1hbm h MET 229 Ca 0.11 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.48 1hbm h MET 229 Cb 0.69 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1hbm h MET 229 CO 0.05 0.50 -0.98 1.96 1.06 0.00 0.00 176.91 179.50 1hbm h GLN 230 N 0.63 0.00 -0.81 1.72 1.08 -1.34 -1.69 115.11 114.69 1hbm h GLN 230 Ca 0.17 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1hbm h GLN 230 Cb 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 1hbm h GLN 230 CO -0.03 0.83 0.53 0.82 -0.95 0.00 0.00 178.83 180.03 1hbm h ILE 231 N 0.00 1.21 -0.16 2.54 2.04 -1.16 -1.67 117.51 120.31 1hbm h ILE 231 Ca -0.04 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1hbm h ILE 231 Cb 1.71 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1hbm h ILE 231 CO 0.11 0.21 0.05 1.23 0.00 0.00 0.00 178.15 179.75 1hbm h GLY 232 N 1.10 0.27 1.07 5.37 0.00 -0.90 0.17 103.07 110.16 1hbm h GLY 232 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1hbm h GLY 232 CO -0.06 0.15 0.53 -0.33 0.00 0.00 0.00 176.54 176.83 1hbm h MET 233 N 0.08 1.22 -0.05 4.80 2.86 -1.32 -2.07 114.93 120.47 1hbm h MET 233 Ca 0.05 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 1hbm h MET 233 Cb 0.22 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1hbm h MET 233 CO -0.00 0.86 -0.66 0.77 1.06 0.00 0.00 176.91 178.94 1hbm h SER 234 N 1.24 0.23 -0.37 1.22 0.02 -0.86 -1.29 113.55 113.75 1hbm h SER 234 Ca 0.32 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1hbm h SER 234 Cb -0.04 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1hbm h SER 234 CO -0.06 0.82 0.08 0.24 -1.14 0.00 0.00 176.83 176.77 1hbm h MET 235 N 0.14 0.59 -0.20 3.45 2.86 -0.83 0.32 114.93 121.26 1hbm h MET 235 Ca -0.01 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1hbm h MET 235 Cb 1.18 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 1hbm h MET 235 CO 0.10 0.64 -0.02 0.82 1.06 0.00 0.00 176.91 179.51 1hbm h ILE 236 N 0.44 0.84 -0.08 -1.22 2.04 -1.20 -2.30 117.51 116.04 1hbm h ILE 236 Ca 0.11 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1hbm h ILE 236 Cb 0.32 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1hbm h ILE 236 CO 0.00 0.01 -0.12 -1.28 0.00 0.00 0.00 178.15 176.76 1hbm h SER 237 N 0.04 0.23 0.83 1.72 0.87 -1.17 -1.94 113.55 114.12 1hbm h SER 237 Ca 0.09 -0.53 -0.13 0.00 -1.23 0.00 0.00 61.79 59.99 1hbm h SER 237 Cb 0.13 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1hbm h SER 237 CO -0.17 0.72 -0.63 0.00 -0.53 0.00 0.00 176.83 176.22 1hbm h ALA 238 N 0.52 0.83 -0.21 6.23 0.00 -0.99 -3.30 119.26 122.33 1hbm h ALA 238 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1hbm h ALA 238 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1hbm h ALA 238 CO 0.03 0.78 0.00 0.66 0.00 0.00 0.00 179.25 180.72 1hbm n TYR 239 N -3.60 0.28 -3.58 0.00 4.02 -0.87 -4.91 117.16 108.51 1hbm n TYR 239 Ca -0.00 -0.37 -0.21 0.00 -0.01 0.00 0.00 57.90 57.30 1hbm n TYR 239 Cb 0.67 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 40.03 1hbm n TYR 239 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1hbm n LYS 240 N 0.37 -6.44 -1.09 -0.72 5.02 -0.74 -5.00 118.16 109.56 1hbm n LYS 240 Ca 0.08 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.82 1hbm n LYS 240 Cb 0.35 -5.68 0.12 0.00 -0.02 0.00 0.00 35.03 29.80 1hbm n LYS 240 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1hbm s GLN 241 N -5.86 1.77 0.38 1.97 -0.21 -1.14 -5.00 119.66 111.58 1hbm s GLN 241 Ca 0.21 1.43 -0.24 0.00 0.02 0.00 0.00 55.36 56.77 1hbm s GLN 241 Cb -0.10 -1.82 -0.13 0.00 1.00 0.00 0.00 33.01 31.97 1hbm s GLN 241 CO 0.76 -2.05 0.75 0.00 -2.12 0.00 0.00 175.29 172.63 1hbm n ALA 242 N -3.61 -0.96 -2.51 6.09 0.00 -1.26 -4.85 120.51 113.42 1hbm n ALA 242 Ca 0.11 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 1hbm n ALA 242 Cb 0.52 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1hbm n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hbm n ALA 243 N -0.51 3.91 0.00 0.00 0.00 -1.26 -4.08 120.51 118.57 1hbm n ALA 243 Ca 0.11 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1hbm n ALA 243 Cb 0.37 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.31 1hbm n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hbm n GLY 244 N 4.98 0.76 2.82 0.00 0.00 -1.26 -5.17 105.19 107.32 1hbm n GLY 244 Ca 0.47 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1hbm n GLY 244 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hbm n GLU 245 N 0.00 0.93 -0.36 1.61 0.28 -1.26 -5.01 120.64 116.83 1hbm n GLU 245 Ca 0.00 -2.88 0.02 0.00 -0.16 0.00 0.00 57.16 54.14 1hbm n GLU 245 Cb 0.00 0.98 0.17 0.00 1.43 0.00 0.00 31.44 34.02 1hbm n GLU 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hbm h ALA 246 N 1.30 1.40 0.00 -1.84 0.00 -2.02 -1.80 119.26 116.29 1hbm h ALA 246 Ca -0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1hbm h ALA 246 Cb 1.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1hbm h ALA 246 CO 0.51 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 180.12 1hbm h ALA 247 N 1.45 1.35 -0.76 0.00 0.00 -1.99 -2.26 119.26 117.05 1hbm h ALA 247 Ca 0.41 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.35 1hbm h ALA 247 Cb 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1hbm h ALA 247 CO -0.15 0.14 0.50 1.15 0.00 0.00 0.00 179.25 180.90 1hbm h THR 248 N 0.00 0.85 -0.29 0.00 2.02 -1.70 -1.92 112.91 111.87 1hbm h THR 248 Ca -0.00 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1hbm h THR 248 Cb 0.30 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1hbm h THR 248 CO 0.02 0.09 0.09 1.23 0.37 0.00 0.00 175.52 177.32 1hbm h GLY 249 N 0.52 0.43 1.28 2.16 0.00 -1.54 -2.47 103.07 103.46 1hbm h GLY 249 Ca 0.37 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1hbm h GLY 249 CO -0.13 0.19 -0.03 -0.55 0.00 0.00 0.00 176.54 176.03 1hbm h ASP 250 N 0.40 0.84 -0.48 0.19 3.32 -1.49 -1.42 116.42 117.79 1hbm h ASP 250 Ca 0.10 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 1hbm h ASP 250 Cb 0.13 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1hbm h ASP 250 CO -0.01 0.92 0.00 -0.26 -1.72 0.00 0.00 179.24 178.17 1hbm h PHE 251 N 0.80 0.96 -0.07 4.55 -1.00 -1.47 -1.47 116.94 119.23 1hbm h PHE 251 Ca 0.15 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1hbm h PHE 251 Cb 0.52 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 1hbm h PHE 251 CO 0.03 0.87 0.02 0.00 -1.61 0.00 0.00 178.31 177.62 1hbm h ALA 252 N 1.16 0.09 -0.57 2.45 0.00 -1.27 -1.72 119.26 119.41 1hbm h ALA 252 Ca 0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 252 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1hbm h ALA 252 CO 0.02 -0.28 0.06 -0.92 0.00 0.00 0.00 179.25 178.13 1hbm h TYR 253 N -0.11 1.00 -0.35 0.00 3.20 -1.22 -0.81 116.97 118.69 1hbm h TYR 253 Ca 0.02 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1hbm h TYR 253 Cb 0.25 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1hbm h TYR 253 CO 0.01 0.87 0.22 0.00 -1.64 0.00 0.00 178.16 177.61 1hbm h ALA 254 N 1.18 0.44 0.00 1.82 0.00 -1.24 -0.96 119.26 120.50 1hbm h ALA 254 Ca 0.17 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 254 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1hbm h ALA 254 CO 0.02 -0.08 -0.83 0.00 0.00 0.00 0.00 179.25 178.36 1hbm h ALA 255 N 1.10 0.63 0.00 0.00 0.00 -1.06 0.40 119.26 120.34 1hbm h ALA 255 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1hbm h ALA 255 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1hbm h ALA 255 CO -0.02 1.00 -0.75 1.63 0.00 0.00 0.00 179.25 181.10 1hbm n LYS 256 N -3.58 0.24 0.00 0.00 5.02 -0.33 -4.51 118.16 114.99 1hbm n LYS 256 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1hbm n LYS 256 Cb 0.79 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1hbm n LYS 256 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hbm n ALA 258 N -1.77 0.00 -2.72 7.82 0.00 -0.37 -4.87 120.51 118.61 1hbm n ALA 258 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 1hbm n ALA 258 Cb 0.42 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.91 1hbm n ALA 258 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1hbm n GLU 259 N -1.32 1.92 -4.30 0.00 0.28 0.12 -5.03 120.64 112.31 1hbm n GLU 259 Ca 0.00 -3.58 -0.34 0.00 -0.16 0.00 0.00 57.16 53.08 1hbm n GLU 259 Cb 0.00 -1.66 -0.09 0.00 1.43 0.00 0.00 31.44 31.12 1hbm n GLU 259 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1hbm s VAL 260 N -3.86 4.34 -0.34 3.84 0.11 -1.25 -0.77 120.40 122.47 1hbm s VAL 260 Ca 0.30 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1hbm s VAL 260 Cb 0.35 -2.88 0.10 0.00 -1.53 0.00 0.00 36.38 32.42 1hbm s VAL 260 CO -0.02 0.50 0.05 -0.63 -3.33 0.00 0.00 175.10 171.67 1hbm s ILE 261 N -0.99 2.36 0.68 7.04 -1.09 0.01 -5.01 121.20 124.21 1hbm s ILE 261 Ca 0.16 -2.24 -0.13 0.00 -2.23 0.00 0.00 60.65 56.22 1hbm s ILE 261 Cb -0.11 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1hbm s ILE 261 CO 0.06 -0.54 1.08 -1.00 -1.23 0.00 0.00 174.94 173.31 1hbm s HIS 262 N 0.95 2.82 0.10 3.97 3.76 -1.26 -2.47 115.29 123.16 1hbm s HIS 262 Ca 0.08 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.43 1hbm s HIS 262 Cb -0.19 -3.03 -0.17 0.00 1.11 0.00 0.00 32.58 30.30 1hbm s HIS 262 CO -0.07 -1.47 1.24 0.52 -0.85 0.00 0.00 174.74 174.11 1hbm h MET 263 N -0.36 0.48 -4.95 1.40 2.86 -1.91 -3.46 114.93 108.98 1hbm h MET 263 Ca -0.45 -0.55 -0.37 0.00 -2.06 0.00 0.00 59.70 56.26 1hbm h MET 263 Cb 1.23 0.17 -0.24 0.00 0.06 0.00 0.00 31.60 32.82 1hbm h MET 263 CO 0.55 1.20 -0.77 0.20 1.06 0.00 0.00 176.91 179.15 1hbm s GLY 264 N -4.42 0.64 0.42 8.32 0.00 -1.26 -4.27 107.32 106.74 1hbm s GLY 264 Ca -0.07 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.84 1hbm s GLY 264 CO 0.89 -0.76 0.73 -0.51 0.00 0.00 0.00 173.10 173.45 1hbm s THR 265 N -0.98 4.90 0.81 0.90 -4.23 -1.01 -1.18 115.64 114.85 1hbm s THR 265 Ca -0.02 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 1hbm s THR 265 Cb -0.08 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 70.04 1hbm s THR 265 CO 0.01 -0.65 1.12 -0.72 -0.54 0.00 0.00 174.62 173.85 1hbm s TYR 266 N -2.49 2.19 0.18 3.99 -0.85 -1.26 -4.08 117.35 115.02 1hbm s TYR 266 Ca 0.47 1.65 0.07 0.00 -0.52 0.00 0.00 57.07 58.74 1hbm s TYR 266 Cb -0.10 -3.21 -0.04 0.00 0.38 0.00 0.00 41.96 38.99 1hbm s TYR 266 CO 0.38 -2.23 0.03 -0.51 -1.52 0.00 0.00 175.55 171.70 1hbm s LEU 267 N -5.99 3.43 0.94 -3.49 1.43 -0.71 -4.94 118.68 109.34 1hbm s LEU 267 Ca 0.65 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1hbm s LEU 267 Cb -0.21 -2.06 0.16 0.00 0.03 0.00 0.00 46.19 44.11 1hbm s LEU 267 CO 0.54 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 176.13 1hbm s PRO 268 N -3.03 0.85 0.28 1.29 0.04 -1.26 -4.02 135.00 129.14 1hbm s PRO 268 Ca 0.29 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 1hbm s PRO 268 Cb -0.09 -1.75 0.38 0.00 0.04 0.00 0.00 34.50 33.08 1hbm s PRO 268 CO 0.20 -2.58 1.90 0.28 0.04 0.00 0.00 177.00 176.84 1hbm h VAL 269 N -1.81 1.23 0.00 -0.36 2.07 -2.00 -2.22 116.25 113.16 1hbm h VAL 269 Ca -0.50 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1hbm h VAL 269 Cb 1.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1hbm h VAL 269 CO 0.50 0.25 0.00 -1.14 0.02 0.00 0.00 177.57 177.21 1hbm n ARG 270 N -4.35 0.00 0.00 1.57 0.63 -1.26 -4.91 116.66 108.34 1hbm n ARG 270 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1hbm n ARG 270 Cb 0.11 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.09 1hbm n ARG 270 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hbm n ALA 272 N 0.32 0.00 -3.24 5.13 0.00 -0.84 -5.24 120.51 116.64 1hbm n ALA 272 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1hbm n ALA 272 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1hbm n ALA 272 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hbm s ARG 273 N 0.00 0.81 0.00 0.00 3.00 -1.26 -5.00 118.95 116.50 1hbm s ARG 273 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 55.73 55.53 1hbm s ARG 273 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 34.95 35.31 1hbm s ARG 273 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.30 175.46 1hbm n GLY 274 N 0.95 -0.24 3.64 -3.53 0.00 -1.26 -1.74 105.19 103.00 1hbm n GLY 274 Ca -0.20 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1hbm n GLY 274 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hbm s GLU 275 N -1.82 0.58 -1.35 1.61 8.01 -1.26 -4.05 118.70 120.42 1hbm s GLU 275 Ca 0.00 1.10 -0.06 0.00 0.01 0.00 0.00 54.97 56.02 1hbm s GLU 275 Cb 0.00 -1.71 0.02 0.00 -4.31 0.00 0.00 34.13 28.13 1hbm s GLU 275 CO 0.00 -2.79 0.99 0.09 0.01 0.00 0.00 175.26 173.56 1hbm n ASN 276 N -4.30 -3.82 -4.52 -0.19 4.13 -0.33 -1.75 115.26 104.49 1hbm n ASN 276 Ca 0.08 -0.67 -0.25 0.00 1.68 0.00 0.00 54.58 55.41 1hbm n ASN 276 Cb 0.54 -4.60 -0.10 0.00 -1.54 0.00 0.00 39.78 34.07 1hbm n ASN 276 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1hbm s GLU 277 N -6.07 1.76 0.28 3.52 0.41 -1.26 -4.17 118.70 113.18 1hbm s GLU 277 Ca 0.33 -1.89 -0.00 0.00 -0.41 0.00 0.00 54.97 53.00 1hbm s GLU 277 Cb -0.15 -1.65 0.41 0.00 -1.78 0.00 0.00 34.13 30.96 1hbm s GLU 277 CO 0.77 0.16 1.80 -1.35 -0.49 0.00 0.00 175.26 176.15 1hbm h PRO 278 N 2.10 0.72 0.00 0.39 0.11 -1.96 -1.80 132.00 131.56 1hbm h PRO 278 Ca -0.41 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 65.49 1hbm h PRO 278 Cb 1.25 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hbm h PRO 278 CO 0.68 0.73 -0.13 0.78 -0.21 0.00 0.00 178.00 179.84 1hbm h GLY 279 N 0.94 0.00 0.90 -0.55 0.00 -1.95 -2.20 103.07 100.22 1hbm h GLY 279 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1hbm h GLY 279 CO 0.02 0.00 -0.11 0.61 0.00 0.00 0.00 176.54 177.05 1hbm n GLY 280 N -0.44 -0.94 3.61 4.60 0.00 -0.68 -3.44 105.19 107.91 1hbm n GLY 280 Ca -0.01 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1hbm n GLY 280 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hbm s VAL 281 N -2.48 4.57 0.64 1.61 1.01 -0.83 -2.42 120.40 122.50 1hbm s VAL 281 Ca 0.29 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.37 1hbm s VAL 281 Cb 0.20 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1hbm s VAL 281 CO 0.48 -0.53 1.15 -2.16 0.00 0.00 0.00 175.10 174.03 1hbm s PRO 282 N 3.52 2.83 0.24 2.72 0.04 -1.26 -4.46 135.00 138.62 1hbm s PRO 282 Ca 0.39 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 1hbm s PRO 282 Cb -0.12 -1.94 0.35 0.00 0.04 0.00 0.00 34.50 32.83 1hbm s PRO 282 CO 0.18 -1.27 1.84 0.74 0.04 0.00 0.00 177.00 178.53 1hbm h PHE 283 N 0.38 0.93 -0.86 0.56 0.05 -1.12 -1.77 116.94 115.12 1hbm h PHE 283 Ca -0.48 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.40 1hbm h PHE 283 Cb 1.27 -0.30 -0.06 0.00 2.00 0.00 0.00 35.95 38.86 1hbm h PHE 283 CO 0.51 0.45 0.53 0.78 -0.18 0.00 0.00 178.31 180.39 1hbm h GLY 284 N 0.90 1.29 0.93 -1.45 0.00 -1.55 -1.76 103.07 101.43 1hbm h GLY 284 Ca 0.38 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1hbm h GLY 284 CO -0.19 0.25 -0.07 -0.97 0.00 0.00 0.00 176.54 175.56 1hbm h TYR 285 N 0.96 0.73 -0.72 5.60 0.99 -1.59 -2.36 116.97 120.58 1hbm h TYR 285 Ca 0.38 -0.15 0.05 0.00 2.00 0.00 0.00 58.73 61.01 1hbm h TYR 285 Cb 0.18 -0.18 -0.05 0.00 1.00 0.00 0.00 36.73 37.68 1hbm h TYR 285 CO -0.03 0.81 0.42 1.25 -0.00 0.00 0.00 178.16 180.61 1hbm h LEU 286 N 0.44 0.65 -1.08 3.88 7.12 -1.06 0.17 115.31 125.43 1hbm h LEU 286 Ca 0.09 0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.17 1hbm h LEU 286 Cb 0.57 -0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.52 1hbm h LEU 286 CO 0.03 0.43 0.62 0.00 -0.13 0.00 0.00 178.44 179.39 1hbm h ALA 287 N 1.35 1.43 0.01 1.25 0.00 -1.28 -2.61 119.26 119.41 1hbm h ALA 287 Ca 0.31 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1hbm h ALA 287 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1hbm h ALA 287 CO -0.16 0.45 -0.89 -0.44 0.00 0.00 0.00 179.25 178.20 1hbm h ASP 288 N 1.14 0.11 -0.19 0.00 3.45 -0.71 -3.24 116.42 116.99 1hbm h ASP 288 Ca 0.40 -0.10 0.03 0.00 0.43 0.00 0.00 57.03 57.79 1hbm h ASP 288 Cb 0.12 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 1hbm h ASP 288 CO -0.14 0.94 0.01 0.40 -1.57 0.00 0.00 179.24 178.88 1hbm h ILE 289 N 0.04 0.88 -2.56 0.35 2.04 -0.55 -3.38 117.51 114.34 1hbm h ILE 289 Ca -0.03 -0.03 -0.58 0.00 1.00 0.00 0.00 64.86 65.23 1hbm h ILE 289 Cb 1.55 0.80 0.07 0.00 -0.74 0.00 0.00 36.82 38.50 1hbm h ILE 289 CO 0.13 0.01 0.70 0.00 0.00 0.00 0.00 178.15 178.99 1hbm n GLN 291 N 2.58 3.35 -0.21 0.00 1.13 -0.37 -4.48 117.38 119.37 1hbm n GLN 291 Ca 0.13 -2.67 0.11 0.00 -1.94 0.00 0.00 57.00 52.63 1hbm n GLN 291 Cb 0.31 -1.73 0.40 0.00 0.11 0.00 0.00 30.24 29.33 1hbm n GLN 291 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1hbm h SER 292 N 3.08 0.60 -1.01 1.08 0.87 -1.76 -2.46 113.55 113.95 1hbm h SER 292 Ca 0.00 0.02 0.25 0.00 -1.23 0.00 0.00 61.79 60.83 1hbm h SER 292 Cb 1.27 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 63.05 1hbm h SER 292 CO 0.17 0.34 0.66 0.77 -0.53 0.00 0.00 176.83 178.24 1hbm h SER 293 N 0.66 0.43 0.48 6.23 4.64 -1.88 -0.41 113.55 123.68 1hbm h SER 293 Ca 0.38 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1hbm h SER 293 Cb 0.58 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1hbm h SER 293 CO -0.15 0.11 -0.65 -2.11 -0.87 0.00 0.00 176.83 173.17 1hbm n ARG 294 N -4.58 0.08 -0.04 4.77 1.85 -0.93 -3.75 116.66 114.06 1hbm n ARG 294 Ca 0.23 0.01 -0.03 0.00 -1.00 0.00 0.00 57.85 57.06 1hbm n ARG 294 Cb 0.83 -1.53 -0.06 0.00 -1.05 0.00 0.00 32.46 30.65 1hbm n ARG 294 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1hbm n VAL 295 N -1.64 0.48 -1.61 8.89 0.24 -0.86 -4.48 118.33 119.37 1hbm n VAL 295 Ca 0.05 -0.32 -0.16 0.00 -2.04 0.00 0.00 64.34 61.88 1hbm n VAL 295 Cb 0.36 -0.71 0.13 0.00 -1.47 0.00 0.00 33.84 32.15 1hbm n VAL 295 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1hbm n ASN 296 N -2.24 4.06 0.30 -1.34 3.02 -0.22 -4.83 115.26 114.01 1hbm n ASN 296 Ca -0.12 -3.78 0.19 0.00 -0.03 0.00 0.00 54.58 50.84 1hbm n ASN 296 Cb 0.71 -0.61 0.91 0.00 -0.61 0.00 0.00 39.78 40.18 1hbm n ASN 296 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1hbm h TYR 297 N 1.51 0.00 -0.03 3.10 -0.00 -1.75 -0.79 116.97 119.01 1hbm h TYR 297 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 1hbm h TYR 297 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.22 1hbm h TYR 297 CO 1.06 0.01 0.00 0.39 -0.00 0.00 0.00 178.16 179.62 1hbm n GLU 298 N -3.11 1.24 -3.69 0.10 1.02 -1.26 -4.56 120.64 110.38 1hbm n GLU 298 Ca -0.01 -0.35 -0.30 0.00 -0.02 0.00 0.00 57.16 56.48 1hbm n GLU 298 Cb 0.21 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 30.07 1hbm n GLU 298 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1hbm s ASP 299 N -1.81 3.68 0.43 1.62 -1.08 -0.30 -5.00 116.67 114.20 1hbm s ASP 299 Ca 0.38 -2.27 0.17 0.00 -0.52 0.00 0.00 52.55 50.31 1hbm s ASP 299 Cb 0.18 -0.90 0.97 0.00 -1.46 0.00 0.00 42.92 41.71 1hbm s ASP 299 CO 0.30 -0.32 1.93 1.55 0.52 0.00 0.00 175.17 179.15 1hbm h PRO 300 N 7.18 0.00 -0.12 4.34 0.13 -1.80 -2.36 132.00 139.37 1hbm h PRO 300 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1hbm h PRO 300 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1hbm h PRO 300 CO 0.45 0.26 0.04 0.28 -0.23 0.00 0.00 178.00 178.79 1hbm h VAL 301 N 0.00 1.19 -0.68 1.56 2.07 -1.94 -1.93 116.25 116.51 1hbm h VAL 301 Ca -0.00 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1hbm h VAL 301 Cb 0.50 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1hbm h VAL 301 CO 0.03 0.17 0.43 -0.09 0.02 0.00 0.00 177.57 178.13 1hbm h ARG 302 N 0.01 0.81 0.09 1.57 9.65 -1.79 -1.08 114.38 123.65 1hbm h ARG 302 Ca 0.04 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1hbm h ARG 302 Cb 0.23 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1hbm h ARG 302 CO -0.00 0.54 -0.05 0.28 2.80 0.00 0.00 179.97 183.54 1hbm h VAL 303 N 0.84 0.93 -0.79 0.20 2.07 -1.42 -1.10 116.25 116.98 1hbm h VAL 303 Ca 0.27 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.76 1hbm h VAL 303 Cb 0.01 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1hbm h VAL 303 CO -0.10 0.02 0.50 0.28 0.02 0.00 0.00 177.57 178.28 1hbm h SER 304 N -0.16 0.81 1.61 0.57 0.02 -0.95 -2.65 113.55 112.80 1hbm h SER 304 Ca -0.01 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1hbm h SER 304 Cb 0.12 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1hbm h SER 304 CO 0.02 0.55 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.80 1hbm h LEU 305 N 0.96 0.00 -0.91 5.07 3.38 -1.10 -1.53 115.31 121.18 1hbm h LEU 305 Ca 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 1hbm h LEU 305 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1hbm h LEU 305 CO -0.12 0.38 0.06 0.44 0.09 0.00 0.00 178.44 179.28 1hbm h ASP 306 N 0.00 0.82 -0.64 -0.43 3.32 -1.07 -1.95 116.42 116.47 1hbm h ASP 306 Ca -0.00 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1hbm h ASP 306 Cb 1.29 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1hbm h ASP 306 CO 0.05 0.85 0.24 0.58 -1.72 0.00 0.00 179.24 179.24 1hbm h VAL 307 N 0.81 1.24 -0.57 -1.35 2.07 -1.19 -2.05 116.25 115.22 1hbm h VAL 307 Ca 0.16 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1hbm h VAL 307 Cb 0.41 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1hbm h VAL 307 CO 0.01 0.30 0.27 0.58 0.02 0.00 0.00 177.57 178.75 1hbm h VAL 308 N 0.90 0.90 -0.15 2.57 2.07 -1.05 -1.66 116.25 119.84 1hbm h VAL 308 Ca 0.21 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1hbm h VAL 308 Cb 0.23 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1hbm h VAL 308 CO -0.01 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.76 1hbm h ALA 309 N 1.33 0.18 -0.38 1.67 0.00 -1.22 0.29 119.26 121.14 1hbm h ALA 309 Ca 0.26 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1hbm h ALA 309 Cb 0.22 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1hbm h ALA 309 CO -0.21 -0.31 -0.20 1.15 0.00 0.00 0.00 179.25 179.68 1hbm h THR 310 N 0.17 0.42 0.04 0.00 2.02 -1.08 -2.60 112.91 111.88 1hbm h THR 310 Ca 0.05 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.98 1hbm h THR 310 Cb 0.02 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1hbm h THR 310 CO -0.01 0.00 -1.05 1.23 0.37 0.00 0.00 175.52 176.06 1hbm h GLY 311 N -0.14 0.56 1.01 2.16 0.00 -1.04 -2.73 103.07 102.89 1hbm h GLY 311 Ca 0.19 -1.06 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1hbm h GLY 311 CO -0.46 0.93 0.38 0.00 0.00 0.00 0.00 176.54 177.39 1hbm h ALA 312 N 0.57 0.92 0.52 3.60 0.00 -0.39 0.99 119.26 125.46 1hbm h ALA 312 Ca -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1hbm h ALA 312 Cb 1.71 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1hbm h ALA 312 CO 0.19 0.44 -0.25 1.98 0.00 0.00 0.00 179.25 181.62 1hbm h MET 313 N 0.99 -0.67 -0.04 0.00 -1.53 -1.53 -1.59 114.93 110.56 1hbm h MET 313 Ca 0.25 0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.55 1hbm h MET 313 Cb 0.05 0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.25 1hbm h MET 313 CO -0.04 -0.37 0.01 1.25 0.14 0.00 0.00 176.91 177.91 1hbm h LEU 314 N -0.91 0.07 -0.06 3.39 5.85 -1.43 -0.85 115.31 121.35 1hbm h LEU 314 Ca -0.07 -0.23 -0.25 0.00 0.84 0.00 0.00 57.88 58.17 1hbm h LEU 314 Cb 0.61 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1hbm h LEU 314 CO 0.12 0.28 -1.02 1.88 -0.34 0.00 0.00 178.44 179.35 1hbm h TYR 315 N -0.15 0.84 0.13 1.25 0.99 -0.90 -0.82 116.97 118.31 1hbm h TYR 315 Ca 0.01 -0.47 -0.35 0.00 2.00 0.00 0.00 58.73 59.92 1hbm h TYR 315 Cb 0.24 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 1hbm h TYR 315 CO 0.00 1.30 -1.91 -0.44 -0.00 0.00 0.00 178.16 177.11 1hbm h ASP 316 N 0.31 0.42 0.00 3.88 3.32 -1.35 -0.08 116.42 122.92 1hbm h ASP 316 Ca -0.11 -0.93 -0.00 0.00 0.02 0.00 0.00 57.03 56.00 1hbm h ASP 316 Cb 1.67 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 41.09 1hbm h ASP 316 CO 0.19 1.83 -0.03 1.56 -1.72 0.00 0.00 179.24 181.07 1hbm h GLN 317 N 0.00 0.00 0.06 3.56 4.20 -1.18 0.36 115.11 122.11 1hbm h GLN 317 Ca -0.41 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.20 1hbm h GLN 317 Cb 1.99 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.78 1hbm h GLN 317 CO 0.08 0.69 -0.45 0.82 -0.67 0.00 0.00 178.83 179.31 1hbm h ILE 318 N -1.00 1.61 0.00 2.54 2.04 -1.44 -3.21 117.51 118.06 1hbm h ILE 318 Ca -0.01 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1hbm h ILE 318 Cb 0.70 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1hbm h ILE 318 CO -0.00 0.65 0.00 1.87 0.00 0.00 0.00 178.15 180.66 1hbm n TRP 319 N -4.37 0.00 -0.06 1.37 -0.00 -0.32 -1.62 117.44 112.44 1hbm n TRP 319 Ca -0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.32 1hbm n TRP 319 Cb 0.65 -0.41 0.16 0.00 -0.00 0.00 0.00 31.31 31.70 1hbm n TRP 319 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1hbm h LEU 320 N 0.00 0.68 -0.07 5.87 3.38 -1.08 -0.28 115.31 123.80 1hbm h LEU 320 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1hbm h LEU 320 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1hbm h LEU 320 CO 0.00 0.84 -0.03 0.61 0.09 0.00 0.00 178.44 179.95 1hbm n GLY 321 N -0.44 -1.11 2.02 0.83 0.00 0.12 -2.93 105.19 103.67 1hbm n GLY 321 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1hbm n GLY 321 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hbm n SER 322 N -1.11 -0.51 -0.33 1.61 2.88 -1.02 -2.40 113.62 112.73 1hbm n SER 322 Ca 0.17 0.43 0.08 0.00 -1.33 0.00 0.00 58.87 58.22 1hbm n SER 322 Cb 0.22 0.66 0.24 0.00 -0.75 0.00 0.00 64.21 64.59 1hbm n SER 322 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1hbm h TYR 323 N 0.00 0.99 -0.19 0.66 -1.99 -0.73 -2.03 116.97 113.68 1hbm h TYR 323 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1hbm h TYR 323 Cb 0.00 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.43 1hbm h TYR 323 CO 0.00 0.32 0.00 -1.33 -0.00 0.00 0.00 178.16 177.15 1hbm n MET 324 N -4.73 2.30 0.00 4.88 2.81 -0.17 -4.96 117.12 117.26 1hbm n MET 324 Ca 0.19 -2.04 0.00 0.00 -1.81 0.00 0.00 57.70 54.04 1hbm n MET 324 Cb 0.42 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1hbm n MET 324 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1hbm n SER 325 N 1.36 0.00 0.00 7.83 3.41 -0.77 -4.97 113.62 120.48 1hbm n SER 325 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1hbm n SER 325 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1hbm n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hbm n GLY 326 N 0.00 1.88 1.08 5.00 0.00 -1.01 -4.76 105.19 107.38 1hbm n GLY 326 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1hbm n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbm n GLY 327 N -1.04 -0.10 0.26 -0.02 0.00 -1.26 -4.11 105.19 98.92 1hbm n GLY 327 Ca 0.00 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.35 1hbm n GLY 327 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hbm h VAL 328 N 0.00 0.45 -0.01 1.61 2.07 -2.01 -3.47 116.25 114.89 1hbm h VAL 328 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1hbm h VAL 328 Cb 0.00 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1hbm h VAL 328 CO 0.00 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1hbm n GLY 329 N -1.38 -0.46 2.23 2.17 0.00 -1.26 -4.61 105.19 101.89 1hbm n GLY 329 Ca 0.13 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 1hbm n GLY 329 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hbm n PHE 330 N 0.00 2.56 0.18 1.61 3.72 -1.26 -4.89 117.46 119.38 1hbm n PHE 330 Ca 0.00 -2.36 -0.15 0.00 -0.05 0.00 0.00 57.45 54.90 1hbm n PHE 330 Cb 0.00 -0.29 -0.07 0.00 -0.94 0.00 0.00 39.48 38.18 1hbm n PHE 330 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1hbm h THR 331 N 2.79 0.28 0.00 4.37 2.02 -1.91 -3.13 112.91 117.34 1hbm h THR 331 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1hbm h THR 331 Cb 1.40 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1hbm h THR 331 CO 0.68 0.00 -0.11 1.56 0.37 0.00 0.00 175.52 178.01 1hbm h GLN 332 N -0.67 0.00 -0.60 6.66 4.20 -1.94 0.10 115.11 122.86 1hbm h GLN 332 Ca -0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1hbm h GLN 332 Cb 0.63 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1hbm h GLN 332 CO -0.11 0.11 0.41 1.88 -0.67 0.00 0.00 178.83 180.45 1hbm h TYR 333 N 0.00 0.33 0.09 2.96 0.05 -1.94 -2.52 116.97 115.95 1hbm h TYR 333 Ca -0.00 0.01 -0.35 0.00 0.05 0.00 0.00 58.73 58.44 1hbm h TYR 333 Cb 0.97 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 1hbm h TYR 333 CO 0.00 0.14 -1.91 0.00 -1.05 0.00 0.00 178.16 175.35 1hbm n ALA 334 N -2.55 0.91 0.13 3.88 0.00 -0.90 -4.25 120.51 117.73 1hbm n ALA 334 Ca 0.11 -0.61 0.12 0.00 0.00 0.00 0.00 53.44 53.06 1hbm n ALA 334 Cb 0.46 -0.61 0.64 0.00 0.00 0.00 0.00 19.45 19.94 1hbm n ALA 334 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1hbm h THR 335 N -0.15 0.90 -0.94 0.00 1.35 -0.93 -1.10 112.91 112.04 1hbm h THR 335 Ca -0.43 -0.02 0.25 0.00 -0.55 0.00 0.00 66.41 65.66 1hbm h THR 335 Cb 1.88 0.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.08 1hbm h THR 335 CO 0.01 0.01 0.65 0.00 -0.25 0.00 0.00 175.52 175.94 1hbm h ALA 336 N 1.87 2.56 -0.01 6.62 0.00 -1.63 -1.07 119.26 127.60 1hbm h ALA 336 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hbm h ALA 336 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hbm h ALA 336 CO -0.01 -0.86 -0.14 0.00 0.00 0.00 0.00 179.25 178.24 1hbm n ALA 337 N -2.62 2.85 -2.07 0.00 0.00 -0.42 -4.26 120.51 114.00 1hbm n ALA 337 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1hbm n ALA 337 Cb 0.88 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1hbm n ALA 337 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1hbm n TYR 338 N -0.39 0.00 -4.19 0.00 0.18 -0.50 -4.60 117.16 107.66 1hbm n TYR 338 Ca 0.15 -0.07 -0.13 0.00 1.88 0.00 0.00 57.90 59.73 1hbm n TYR 338 Cb 0.34 -0.05 -0.10 0.00 -0.38 0.00 0.00 39.34 39.15 1hbm n TYR 338 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1hbm s THR 339 N 0.00 0.93 0.00 -3.48 -4.23 -0.65 -1.60 115.64 106.61 1hbm s THR 339 Ca 0.05 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1hbm s THR 339 Cb 0.05 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1hbm s THR 339 CO -0.02 -0.68 0.00 0.47 -0.54 0.00 0.00 174.62 173.85 1hbm n ASP 340 N 0.24 -3.85 -2.05 3.99 10.43 0.10 -3.15 116.55 122.27 1hbm n ASP 340 Ca -0.14 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 57.02 1hbm n ASP 340 Cb 0.59 -1.92 -0.04 0.00 1.84 0.00 0.00 41.12 41.59 1hbm n ASP 340 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1hbm n ASN 341 N -0.43 -5.70 -0.07 -2.24 3.02 -1.26 -3.99 115.26 104.59 1hbm n ASN 341 Ca 0.00 0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.68 1hbm n ASN 341 Cb 0.22 -4.87 -0.07 0.00 -0.61 0.00 0.00 39.78 34.45 1hbm n ASN 341 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1hbm h ILE 342 N 0.00 0.95 -0.71 2.41 2.04 -1.88 -2.23 117.51 118.10 1hbm h ILE 342 Ca -0.46 -1.75 0.10 0.00 1.00 0.00 0.00 64.86 63.74 1hbm h ILE 342 Cb 1.36 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 1hbm h ILE 342 CO 0.60 0.32 0.47 0.25 0.00 0.00 0.00 178.15 179.79 1hbm h LEU 343 N -1.00 0.53 -0.34 1.44 5.85 -1.81 -2.15 115.31 117.83 1hbm h LEU 343 Ca -0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1hbm h LEU 343 Cb 0.62 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1hbm h LEU 343 CO -0.02 0.32 0.22 0.44 -0.34 0.00 0.00 178.44 179.06 1hbm h ASP 344 N 0.59 0.39 -0.54 1.25 5.19 -1.93 -0.01 116.42 121.36 1hbm h ASP 344 Ca 0.33 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.72 1hbm h ASP 344 Cb 0.50 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1hbm h ASP 344 CO -0.11 0.30 0.36 -0.78 -3.12 0.00 0.00 179.24 175.88 1hbm h ASP 345 N 0.45 0.61 -0.45 6.45 1.82 -0.75 -0.32 116.42 124.23 1hbm h ASP 345 Ca 0.12 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 1hbm h ASP 345 Cb -0.03 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1hbm h ASP 345 CO -0.03 0.44 -0.16 -0.26 -1.61 0.00 0.00 179.24 177.62 1hbm h PHE 346 N 0.72 1.03 -0.02 0.28 0.05 -1.22 -1.89 116.94 115.88 1hbm h PHE 346 Ca 0.20 -0.24 -0.21 0.00 3.82 0.00 0.00 57.97 61.54 1hbm h PHE 346 Cb -0.07 -0.24 0.00 0.00 2.00 0.00 0.00 35.95 37.63 1hbm h PHE 346 CO -0.04 1.02 -0.88 1.15 -0.18 0.00 0.00 178.31 179.38 1hbm h THR 347 N 0.74 1.39 -0.52 -1.55 2.02 -0.83 -2.03 112.91 112.15 1hbm h THR 347 Ca 0.11 -2.36 -0.04 0.00 0.77 0.00 0.00 66.41 64.89 1hbm h THR 347 Cb 0.72 2.33 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 1hbm h THR 347 CO 0.06 0.71 0.15 1.88 0.37 0.00 0.00 175.52 178.68 1hbm h TYR 348 N 0.25 0.79 -0.07 3.16 -1.99 -1.03 -0.17 116.97 117.90 1hbm h TYR 348 Ca -0.07 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1hbm h TYR 348 Cb 1.50 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 39.99 1hbm h TYR 348 CO 0.06 0.65 0.05 0.35 -0.00 0.00 0.00 178.16 179.26 1hbm h PHE 349 N 0.75 0.09 -0.60 4.88 3.57 -1.19 -1.66 116.94 122.78 1hbm h PHE 349 Ca 0.17 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1hbm h PHE 349 Cb 0.24 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1hbm h PHE 349 CO 0.01 0.07 0.37 0.78 -2.23 0.00 0.00 178.31 177.31 1hbm h GLY 350 N 0.09 0.86 1.12 2.40 0.00 -0.96 -1.01 103.07 105.57 1hbm h GLY 350 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1hbm h GLY 350 CO -0.01 0.23 0.21 1.70 0.00 0.00 0.00 176.54 178.67 1hbm h LYS 351 N 0.72 1.10 -0.56 4.80 3.11 -0.85 -1.50 116.57 123.39 1hbm h LYS 351 Ca 0.24 -0.24 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1hbm h LYS 351 Cb 0.03 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.08 1hbm h LYS 351 CO -0.10 0.95 -0.05 0.93 -2.81 0.00 0.00 179.45 178.36 1hbm h GLU 352 N 1.05 1.02 -0.02 1.90 5.08 -0.96 -0.14 114.58 122.51 1hbm h GLU 352 Ca 0.23 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1hbm h GLU 352 Cb 0.32 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1hbm h GLU 352 CO -0.00 1.02 0.01 -0.92 -1.00 0.00 0.00 179.01 178.12 1hbm h TYR 353 N 0.92 0.03 -0.50 4.33 3.20 -0.90 -1.63 116.97 122.42 1hbm h TYR 353 Ca 0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1hbm h TYR 353 Cb 0.60 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1hbm h TYR 353 CO 0.04 0.04 0.28 0.28 -1.64 0.00 0.00 178.16 177.16 1hbm h VAL 354 N 0.01 1.17 -0.49 1.81 2.07 -1.16 -1.26 116.25 118.40 1hbm h VAL 354 Ca 0.01 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1hbm h VAL 354 Cb 0.02 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1hbm h VAL 354 CO -0.00 0.17 0.32 -0.08 0.02 0.00 0.00 177.57 178.00 1hbm h GLU 355 N 0.66 0.63 -0.27 1.57 4.81 -0.88 0.79 114.58 121.90 1hbm h GLU 355 Ca 0.18 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1hbm h GLU 355 Cb 0.03 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1hbm h GLU 355 CO -0.03 0.42 -0.37 -0.44 -0.73 0.00 0.00 179.01 177.85 1hbm h ASP 356 N 0.65 0.79 0.06 1.04 3.32 -1.21 -2.83 116.42 118.23 1hbm h ASP 356 Ca 0.18 -0.51 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 1hbm h ASP 356 Cb -0.06 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1hbm h ASP 356 CO -0.05 1.14 -0.47 0.50 -1.72 0.00 0.00 179.24 178.64 1hbm h LYS 357 N 0.45 0.12 0.00 3.56 3.64 -1.17 -3.43 116.57 119.74 1hbm h LYS 357 Ca 0.03 -0.20 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 1hbm h LYS 357 Cb 0.96 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1hbm h LYS 357 CO 0.09 1.10 -1.41 0.66 -2.27 0.00 0.00 179.45 177.61 1hbm n TYR 358 N -4.39 0.00 0.00 1.91 4.02 0.14 -5.09 117.16 113.75 1hbm n TYR 358 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 1hbm n TYR 358 Cb 0.64 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 1hbm n TYR 358 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hbm n GLY 359 N 2.94 0.66 3.76 2.72 0.00 -0.44 -4.63 105.19 110.20 1hbm n GLY 359 Ca -0.12 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 1hbm n GLY 359 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hbm n LEU 360 N -0.18 4.55 -1.19 0.99 4.77 -1.26 -2.00 117.00 122.69 1hbm n LEU 360 Ca 0.00 1.19 -0.15 0.00 -0.03 0.00 0.00 56.01 57.02 1hbm n LEU 360 Cb 0.00 -1.60 -0.07 0.00 -2.33 0.00 0.00 43.42 39.42 1hbm n LEU 360 CO 0.00 0.13 -0.15 0.00 -1.33 0.00 0.00 177.39 176.04 1hbm n GLU 362 N -1.71 0.31 -2.66 0.00 -0.58 -0.85 -4.67 120.64 110.48 1hbm n GLU 362 Ca -0.15 -0.96 -0.35 0.00 -0.42 0.00 0.00 57.16 55.27 1hbm n GLU 362 Cb 0.61 -1.15 -0.05 0.00 -0.57 0.00 0.00 31.44 30.28 1hbm n GLU 362 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hbm s ALA 363 N -0.73 3.05 0.24 0.62 0.00 -0.70 -4.96 121.76 119.28 1hbm s ALA 363 Ca 0.09 0.57 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 1hbm s ALA 363 Cb 0.07 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.83 1hbm s ALA 363 CO 0.11 -0.07 1.30 -2.30 0.00 0.00 0.00 175.76 174.79 1hbm n PRO 364 N -0.30 1.78 -2.51 0.00 -0.02 -1.26 -4.51 135.00 128.19 1hbm n PRO 364 Ca 0.06 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1hbm n PRO 364 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1hbm n PRO 364 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hbm n ASN 365 N 1.85 4.84 -2.87 2.55 5.15 -1.26 -4.55 115.26 120.96 1hbm n ASN 365 Ca 0.11 -2.93 -0.12 0.00 -0.60 0.00 0.00 54.58 51.05 1hbm n ASN 365 Cb 0.31 -1.69 -0.00 0.00 -0.53 0.00 0.00 39.78 37.86 1hbm n ASN 365 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1hbm n ASN 366 N 7.32 -1.75 0.16 1.20 0.23 -1.26 -5.05 115.26 116.11 1hbm n ASN 366 Ca 0.47 -2.74 0.04 0.00 -0.53 0.00 0.00 54.58 51.82 1hbm n ASN 366 Cb 0.44 3.07 0.46 0.00 -2.08 0.00 0.00 39.78 41.67 1hbm n ASN 366 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1hbm h MET 367 N 0.00 0.16 -0.37 -3.83 1.85 -2.00 -2.44 114.93 108.30 1hbm h MET 367 Ca -0.30 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 58.82 1hbm h MET 367 Cb 1.19 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 33.15 1hbm h MET 367 CO 0.39 0.27 0.09 -0.44 -0.40 0.00 0.00 176.91 176.81 1hbm h ASP 368 N 0.15 0.05 -0.58 1.39 3.32 -1.96 0.74 116.42 119.53 1hbm h ASP 368 Ca 0.03 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1hbm h ASP 368 Cb 0.28 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1hbm h ASP 368 CO 0.02 0.06 0.27 0.74 -1.72 0.00 0.00 179.24 178.61 1hbm h THR 369 N 0.22 1.21 -0.13 0.35 2.02 -1.69 -2.00 112.91 112.89 1hbm h THR 369 Ca 0.17 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1hbm h THR 369 Cb 0.19 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1hbm h THR 369 CO -0.21 0.24 -0.19 0.58 0.37 0.00 0.00 175.52 176.31 1hbm h VAL 370 N 0.78 0.52 -0.79 3.16 2.07 -1.21 -1.00 116.25 119.79 1hbm h VAL 370 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1hbm h VAL 370 Cb 0.13 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1hbm h VAL 370 CO -0.02 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.83 1hbm h LEU 371 N -0.23 1.08 0.22 2.57 3.38 -0.80 -1.69 115.31 119.83 1hbm h LEU 371 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1hbm h LEU 371 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1hbm h LEU 371 CO -0.27 0.94 -0.11 -0.78 0.09 0.00 0.00 178.44 178.32 1hbm h ASP 372 N 1.14 -0.25 -0.21 -0.43 -0.00 -1.14 -3.13 116.42 112.39 1hbm h ASP 372 Ca 0.26 0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 57.28 1hbm h ASP 372 Cb 0.19 0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1hbm h ASP 372 CO -0.02 -0.17 0.05 0.58 -0.00 0.00 0.00 179.24 179.68 1hbm h VAL 373 N -0.33 1.20 -0.66 2.25 2.07 -1.21 -2.11 116.25 117.46 1hbm h VAL 373 Ca -0.03 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1hbm h VAL 373 Cb 0.23 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1hbm h VAL 373 CO 0.05 0.21 0.25 0.00 0.02 0.00 0.00 177.57 178.10 1hbm h ALA 374 N 0.87 0.86 -0.09 1.67 0.00 -1.49 -1.67 119.26 119.40 1hbm h ALA 374 Ca 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1hbm h ALA 374 Cb 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hbm h ALA 374 CO 0.00 0.49 0.04 1.15 0.00 0.00 0.00 179.25 180.93 1hbm h THR 375 N 0.94 1.12 -0.45 0.00 2.02 -1.52 -1.30 112.91 113.71 1hbm h THR 375 Ca 0.22 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1hbm h THR 375 Cb 0.22 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1hbm h THR 375 CO -0.02 0.11 0.26 -0.08 0.37 0.00 0.00 175.52 176.16 1hbm h GLU 376 N 0.02 0.51 -0.12 6.66 4.57 -1.20 -1.53 114.58 123.49 1hbm h GLU 376 Ca 0.03 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1hbm h GLU 376 Cb 0.13 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1hbm h GLU 376 CO -0.00 0.34 -0.60 0.28 -1.18 0.00 0.00 179.01 177.84 1hbm h VAL 377 N 0.53 1.35 -0.25 0.32 2.07 -1.33 -2.35 116.25 116.60 1hbm h VAL 377 Ca 0.18 -1.92 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1hbm h VAL 377 Cb 0.03 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1hbm h VAL 377 CO -0.09 0.58 0.12 0.74 0.02 0.00 0.00 177.57 178.94 1hbm h THR 378 N 0.31 0.99 -0.63 2.57 2.02 -0.96 -1.28 112.91 115.93 1hbm h THR 378 Ca -0.01 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1hbm h THR 378 Cb 1.14 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1hbm h THR 378 CO 0.10 0.05 0.12 -0.26 0.37 0.00 0.00 175.52 175.91 1hbm h PHE 379 N 0.26 1.06 0.09 3.16 0.05 -1.22 -1.58 116.94 118.75 1hbm h PHE 379 Ca 0.10 -0.13 0.02 0.00 3.82 0.00 0.00 57.97 61.78 1hbm h PHE 379 Cb 0.03 -0.30 -0.03 0.00 2.00 0.00 0.00 35.95 37.64 1hbm h PHE 379 CO -0.09 0.89 -0.25 -0.92 -0.18 0.00 0.00 178.31 177.75 1hbm h TYR 380 N 0.96 -0.66 -0.35 -0.55 3.20 -1.11 -1.46 116.97 117.00 1hbm h TYR 380 Ca 0.20 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.10 1hbm h TYR 380 Cb 0.38 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1hbm h TYR 380 CO 0.03 -0.35 0.21 0.78 -1.64 0.00 0.00 178.16 177.19 1hbm h GLY 381 N -0.44 0.48 1.55 1.82 0.00 -0.96 -2.45 103.07 103.08 1hbm h GLY 381 Ca 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1hbm h GLY 381 CO -0.16 0.14 -0.16 1.41 0.00 0.00 0.00 176.54 177.77 1hbm h LEU 382 N 0.43 0.52 -1.57 3.11 3.38 -1.29 -2.03 115.31 117.86 1hbm h LEU 382 Ca 0.14 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1hbm h LEU 382 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1hbm h LEU 382 CO -0.06 0.71 -0.20 -0.33 0.09 0.00 0.00 178.44 178.65 1hbm h GLU 383 N 0.48 0.02 -0.54 1.13 5.08 -1.03 -2.45 114.58 117.27 1hbm h GLU 383 Ca 0.08 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1hbm h GLU 383 Cb 0.56 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1hbm h GLU 383 CO 0.04 0.22 0.00 1.96 -1.00 0.00 0.00 179.01 180.23 1hbm h GLN 384 N 0.02 0.96 -0.53 2.33 1.08 -0.89 -0.16 115.11 117.91 1hbm h GLN 384 Ca 0.00 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.86 1hbm h GLN 384 Cb 0.37 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1hbm h GLN 384 CO 0.03 0.97 0.16 1.88 -0.95 0.00 0.00 178.83 180.91 1hbm h TYR 385 N 0.83 0.81 -0.13 2.96 -1.99 -1.40 -0.86 116.97 117.20 1hbm h TYR 385 Ca 0.15 -0.06 -0.17 0.00 2.00 0.00 0.00 58.73 60.65 1hbm h TYR 385 Cb 0.53 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1hbm h TYR 385 CO 0.04 0.66 -0.64 0.93 -0.00 0.00 0.00 178.16 179.15 1hbm h GLU 386 N 0.77 0.47 0.00 4.88 5.08 -1.13 -3.31 114.58 121.34 1hbm h GLU 386 Ca 0.18 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1hbm h GLU 386 Cb 0.24 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1hbm h GLU 386 CO -0.01 0.96 -0.29 0.93 -1.00 0.00 0.00 179.01 179.60 1hbm h GLU 387 N 0.34 0.00 -3.32 2.33 4.39 -0.80 -3.41 114.58 114.12 1hbm h GLU 387 Ca -0.01 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.07 1hbm h GLU 387 Cb 1.20 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.45 1hbm h GLU 387 CO 0.12 0.11 -0.72 0.71 -1.16 0.00 0.00 179.01 178.07 1hbm s TYR 388 N -3.17 2.34 0.48 4.33 2.02 -0.35 -4.65 117.35 118.35 1hbm s TYR 388 Ca 0.05 -2.51 0.17 0.00 -0.37 0.00 0.00 57.07 54.40 1hbm s TYR 388 Cb 0.06 -2.14 1.18 0.00 -0.40 0.00 0.00 41.96 40.66 1hbm s TYR 388 CO 0.71 -0.81 2.05 -1.35 -1.57 0.00 0.00 175.55 174.58 1hbm h PRO 389 N 6.99 0.19 -0.70 -1.71 0.11 -1.70 0.18 132.00 135.35 1hbm h PRO 389 Ca -0.05 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1hbm h PRO 389 Cb 0.94 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1hbm h PRO 389 CO 0.52 0.12 0.34 0.00 -0.21 0.00 0.00 178.00 178.77 1hbm h ALA 390 N 1.81 1.27 -0.53 -0.75 0.00 -1.68 -1.83 119.26 117.55 1hbm h ALA 390 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1hbm h ALA 390 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1hbm h ALA 390 CO -0.03 0.56 0.17 1.25 0.00 0.00 0.00 179.25 181.21 1hbm h LEU 391 N 1.00 0.77 -1.05 0.00 5.85 -1.21 -1.22 115.31 119.45 1hbm h LEU 391 Ca 0.24 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1hbm h LEU 391 Cb 0.10 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1hbm h LEU 391 CO -0.03 0.77 0.12 0.25 -0.34 0.00 0.00 178.44 179.21 1hbm h LEU 392 N 0.73 0.75 -0.48 2.25 5.85 -1.32 -1.42 115.31 121.68 1hbm h LEU 392 Ca 0.17 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 1hbm h LEU 392 Cb 0.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1hbm h LEU 392 CO -0.01 0.74 -0.70 -0.08 -0.34 0.00 0.00 178.44 178.05 1hbm h GLU 393 N 0.78 0.00 0.67 1.25 4.81 -1.18 -3.19 114.58 117.72 1hbm h GLU 393 Ca 0.17 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1hbm h GLU 393 Cb 0.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1hbm h GLU 393 CO -0.00 0.70 -0.32 0.22 -0.73 0.00 0.00 179.01 178.88 1hbm h ASP 394 N 0.00 -0.77 -2.08 1.04 3.58 -0.96 -3.33 116.42 113.91 1hbm h ASP 394 Ca -0.01 0.01 -0.76 0.00 0.42 0.00 0.00 57.03 56.69 1hbm h ASP 394 Cb 1.31 0.20 -0.19 0.00 1.72 0.00 0.00 39.33 42.37 1hbm h ASP 394 CO 0.09 -0.39 1.47 0.00 -2.88 0.00 0.00 179.24 177.53 1hbm n GLN 395 N -5.38 3.61 0.22 0.28 6.02 -0.56 -4.80 117.38 116.77 1hbm n GLN 395 Ca -0.12 -3.86 0.11 0.00 -0.01 0.00 0.00 57.00 53.12 1hbm n GLN 395 Cb 0.37 -2.89 0.23 0.00 1.02 0.00 0.00 30.24 28.97 1hbm n GLN 395 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1hbm h PHE 396 N 6.34 0.00 -3.08 1.08 -5.15 -1.66 -3.43 116.94 111.04 1hbm h PHE 396 Ca 0.32 0.00 -0.61 0.00 -0.20 0.00 0.00 57.97 57.48 1hbm h PHE 396 Cb 0.75 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.84 1hbm h PHE 396 CO 1.12 0.08 -0.32 0.20 -2.00 0.00 0.00 178.31 177.39 1hbm s GLY 397 N -4.24 2.28 0.28 6.09 0.00 -1.26 -4.98 107.32 105.49 1hbm s GLY 397 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 44.72 44.33 1hbm s GLY 397 CO 0.66 0.19 1.95 -1.33 0.00 0.00 0.00 173.10 174.57 1hbm h GLY 398 N 5.75 1.26 -1.63 0.20 0.00 -1.85 -2.98 103.07 103.82 1hbm h GLY 398 Ca -0.47 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1hbm h GLY 398 CO 0.68 0.44 0.00 1.44 0.00 0.00 0.00 176.54 179.10 1hbm n SER 399 N -4.41 0.00 0.00 0.19 7.64 -1.23 -1.14 113.62 114.67 1hbm n SER 399 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1hbm n SER 399 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1hbm n SER 399 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hbm n ARG 401 N 0.57 0.00 -0.20 1.43 1.74 -1.13 -1.57 116.66 117.51 1hbm n ARG 401 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1hbm n ARG 401 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 1hbm n ARG 401 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hbm h ALA 402 N 0.00 0.72 -0.40 7.54 0.00 -1.43 -1.11 119.26 124.57 1hbm h ALA 402 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1hbm h ALA 402 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1hbm h ALA 402 CO 0.00 0.28 0.03 0.00 0.00 0.00 0.00 179.25 179.56 1hbm h ALA 403 N 1.10 0.54 -0.00 0.00 0.00 -1.53 -1.67 119.26 117.70 1hbm h ALA 403 Ca 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 403 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hbm h ALA 403 CO -0.02 0.29 -0.00 0.28 0.00 0.00 0.00 179.25 179.80 1hbm h VAL 404 N 0.53 1.25 -0.50 0.00 2.07 -1.80 -0.15 116.25 117.65 1hbm h VAL 404 Ca 0.12 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1hbm h VAL 404 Cb 0.43 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1hbm h VAL 404 CO 0.01 0.19 0.21 0.58 0.02 0.00 0.00 177.57 178.59 1hbm h VAL 405 N -0.31 1.20 -0.28 2.57 2.07 -1.26 -2.36 116.25 117.89 1hbm h VAL 405 Ca 0.00 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1hbm h VAL 405 Cb 0.31 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1hbm h VAL 405 CO 0.00 0.24 -0.29 0.00 0.02 0.00 0.00 177.57 177.53 1hbm h ALA 406 N 1.06 0.98 -0.68 1.67 0.00 -1.31 -1.84 119.26 119.14 1hbm h ALA 406 Ca 0.17 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1hbm h ALA 406 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1hbm h ALA 406 CO -0.02 0.60 0.23 0.00 0.00 0.00 0.00 179.25 180.06 1hbm h ALA 407 N 1.20 1.12 -0.54 0.00 0.00 -0.87 0.16 119.26 120.31 1hbm h ALA 407 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1hbm h ALA 407 Cb 0.75 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1hbm h ALA 407 CO 0.06 0.61 0.16 0.00 0.00 0.00 0.00 179.25 180.09 1hbm h ALA 408 N 1.24 0.71 -0.36 0.00 0.00 -1.19 -0.20 119.26 119.46 1hbm h ALA 408 Ca 0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 408 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1hbm h ALA 408 CO -0.01 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 1hbm h ALA 409 N 1.03 0.49 -0.04 0.00 0.00 -0.94 -0.60 119.26 119.19 1hbm h ALA 409 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1hbm h ALA 409 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1hbm h ALA 409 CO -0.00 0.29 -0.05 0.78 0.00 0.00 0.00 179.25 180.26 1hbm h GLY 410 N 0.46 0.11 0.54 0.00 0.00 -0.62 -1.09 103.07 102.47 1hbm h GLY 410 Ca 0.10 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.38 1hbm h GLY 410 CO 0.03 0.11 0.27 0.00 0.00 0.00 0.00 176.54 176.94 1hbm h SER 412 N 0.49 0.72 -0.42 0.00 0.02 -1.07 0.90 113.55 114.18 1hbm h SER 412 Ca 0.28 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1hbm h SER 412 Cb 0.28 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1hbm h SER 412 CO -0.24 0.83 0.23 0.74 -1.14 0.00 0.00 176.83 177.25 1hbm h THR 413 N 0.67 1.16 0.00 -2.27 2.02 -0.90 -2.39 112.91 111.19 1hbm h THR 413 Ca 0.12 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 1hbm h THR 413 Cb 0.53 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1hbm h THR 413 CO 0.03 0.17 -0.40 0.00 0.37 0.00 0.00 175.52 175.68 1hbm h ALA 414 N 1.08 1.33 -0.52 6.16 0.00 -1.06 -1.85 119.26 124.41 1hbm h ALA 414 Ca 0.15 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1hbm h ALA 414 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1hbm h ALA 414 CO -0.02 0.51 0.34 0.74 0.00 0.00 0.00 179.25 180.81 1hbm h PHE 415 N 0.00 0.64 0.00 0.00 0.05 -0.35 -0.02 116.94 117.26 1hbm h PHE 415 Ca -0.00 0.02 -0.10 0.00 3.82 0.00 0.00 57.97 61.70 1hbm h PHE 415 Cb 0.72 -0.21 0.01 0.00 2.00 0.00 0.00 35.95 38.46 1hbm h PHE 415 CO 0.00 0.40 -0.40 0.00 -0.18 0.00 0.00 178.31 178.13 1hbm h ALA 416 N 1.68 0.04 0.00 2.45 0.00 -0.96 0.59 119.26 123.07 1hbm h ALA 416 Ca 0.19 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1hbm h ALA 416 Cb -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hbm h ALA 416 CO -0.04 0.19 -0.96 1.79 0.00 0.00 0.00 179.25 180.23 1hbm h THR 417 N -0.36 0.16 -0.70 0.00 1.35 -1.27 -1.77 112.91 110.33 1hbm h THR 417 Ca -0.05 -1.30 -0.23 0.00 -0.55 0.00 0.00 66.41 64.28 1hbm h THR 417 Cb 1.14 1.73 -0.08 0.00 -1.73 0.00 0.00 68.15 69.22 1hbm h THR 417 CO 0.08 0.09 -0.22 0.61 -0.25 0.00 0.00 175.52 175.83 1hbm n GLY 418 N 1.23 1.02 2.85 5.82 0.00 -0.03 -4.75 105.19 111.32 1hbm n GLY 418 Ca -0.02 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1hbm n GLY 418 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hbm s ASN 419 N -2.82 -0.02 0.35 1.61 3.84 -1.25 -4.81 114.94 111.84 1hbm s ASN 419 Ca 0.00 0.16 0.15 0.00 0.21 0.00 0.00 52.86 53.38 1hbm s ASN 419 Cb 0.00 0.05 0.61 0.00 -0.55 0.00 0.00 41.25 41.36 1hbm s ASN 419 CO 0.00 -0.13 1.72 0.00 -2.79 0.00 0.00 177.10 175.90 1hbm h ALA 420 N 7.19 1.06 -0.12 1.71 0.00 -1.91 -3.06 119.26 124.13 1hbm h ALA 420 Ca -0.43 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 1hbm h ALA 420 Cb 1.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1hbm h ALA 420 CO 0.46 0.56 -0.55 0.37 0.00 0.00 0.00 179.25 180.09 1hbm h GLN 421 N 0.00 0.36 0.01 0.00 5.75 -1.96 -0.93 115.11 118.34 1hbm h GLN 421 Ca -0.00 -0.23 -0.22 0.00 -0.15 0.00 0.00 58.65 58.05 1hbm h GLN 421 Cb 0.90 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.47 1hbm h GLN 421 CO 0.06 0.82 -0.93 1.79 -2.65 0.00 0.00 178.83 177.91 1hbm h THR 422 N 0.28 1.45 -0.54 2.39 1.35 -1.96 -2.37 112.91 113.50 1hbm h THR 422 Ca 0.00 -2.56 0.10 0.00 -0.55 0.00 0.00 66.41 63.40 1hbm h THR 422 Cb 1.05 2.47 -0.08 0.00 -1.73 0.00 0.00 68.15 69.86 1hbm h THR 422 CO 0.09 0.76 0.09 1.23 -0.25 0.00 0.00 175.52 177.44 1hbm h GLY 423 N 1.53 0.66 0.96 5.82 0.00 -1.39 -1.54 103.07 109.11 1hbm h GLY 423 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.27 1hbm h GLY 423 CO 0.15 -0.10 0.52 -2.00 0.00 0.00 0.00 176.54 175.11 1hbm h LEU 424 N 0.22 0.89 -0.78 3.11 5.85 -1.00 -1.82 115.31 121.78 1hbm h LEU 424 Ca 0.28 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.03 1hbm h LEU 424 Cb 0.40 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1hbm h LEU 424 CO -0.38 0.64 0.49 -1.28 -0.34 0.00 0.00 178.44 177.56 1hbm h SER 425 N 1.05 0.78 -0.74 1.25 0.87 -0.98 -2.09 113.55 113.70 1hbm h SER 425 Ca 0.30 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1hbm h SER 425 Cb -0.08 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 1hbm h SER 425 CO -0.08 0.52 0.45 1.23 -0.53 0.00 0.00 176.83 178.43 1hbm h GLY 426 N 0.92 1.08 0.24 5.77 0.00 -0.82 -1.56 103.07 108.70 1hbm h GLY 426 Ca 0.33 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1hbm h GLY 426 CO -0.14 0.26 -0.10 -0.25 0.00 0.00 0.00 176.54 176.31 1hbm h TRP 427 N 0.86 -0.21 -0.27 5.60 2.91 -0.68 -0.97 115.95 123.18 1hbm h TRP 427 Ca 0.31 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 60.23 1hbm h TRP 427 Cb 0.08 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 1hbm h TRP 427 CO -0.05 -0.17 -0.38 1.88 -1.03 0.00 0.00 178.44 178.70 1hbm h TYR 428 N -0.01 0.75 -0.71 2.65 -1.99 -0.96 -2.77 116.97 113.93 1hbm h TYR 428 Ca 0.18 -0.21 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 1hbm h TYR 428 Cb 0.28 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 1hbm h TYR 428 CO -0.34 0.92 0.19 1.25 -0.00 0.00 0.00 178.16 180.17 1hbm h LEU 429 N 0.52 1.06 -0.55 3.88 5.85 -1.07 -2.26 115.31 122.75 1hbm h LEU 429 Ca 0.05 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.64 1hbm h LEU 429 Cb 0.89 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1hbm h LEU 429 CO 0.08 1.01 0.13 -1.28 -0.34 0.00 0.00 178.44 178.04 1hbm h SER 430 N 1.07 0.04 -0.79 1.25 0.87 -0.99 -1.04 113.55 113.95 1hbm h SER 430 Ca 0.22 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 1hbm h SER 430 Cb 0.35 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 1hbm h SER 430 CO -0.00 0.04 0.50 0.24 -0.53 0.00 0.00 176.83 177.08 1hbm h MET 431 N 0.27 0.92 -0.22 2.24 2.86 -1.15 -0.55 114.93 119.30 1hbm h MET 431 Ca 0.28 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1hbm h MET 431 Cb 0.38 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1hbm h MET 431 CO -0.34 0.61 -0.05 1.88 1.06 0.00 0.00 176.91 180.06 1hbm h TYR 432 N 0.95 0.48 -0.16 -0.22 0.99 -0.91 -1.03 116.97 117.06 1hbm h TYR 432 Ca 0.33 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.95 1hbm h TYR 432 Cb 0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 1hbm h TYR 432 CO -0.03 0.67 0.10 -0.07 -0.00 0.00 0.00 178.16 178.82 1hbm h LEU 433 N 0.16 0.20 -0.25 3.88 3.38 -1.13 -2.58 115.31 118.97 1hbm h LEU 433 Ca 0.06 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1hbm h LEU 433 Cb 0.51 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1hbm h LEU 433 CO 0.02 0.19 -0.13 -0.74 0.09 0.00 0.00 178.44 177.87 1hbm h HIS 434 N 0.19 -0.32 -0.57 1.13 2.76 -1.00 -0.24 115.15 117.09 1hbm h HIS 434 Ca 0.06 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.35 1hbm h HIS 434 Cb 0.03 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 29.09 1hbm h HIS 434 CO -0.05 -0.20 0.16 -0.22 -1.30 0.00 0.00 177.93 176.32 1hbm h LYS 435 N -0.10 0.31 -0.37 5.26 3.64 -1.13 -2.12 116.57 122.05 1hbm h LYS 435 Ca 0.13 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1hbm h LYS 435 Cb 0.31 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1hbm h LYS 435 CO -0.31 0.20 -0.39 0.93 -2.27 0.00 0.00 179.45 177.61 1hbm h GLU 436 N 0.32 0.92 -0.24 1.90 4.39 -1.17 -1.14 114.58 119.55 1hbm h GLU 436 Ca 0.29 -0.49 0.02 0.00 0.34 0.00 0.00 59.36 59.52 1hbm h GLU 436 Cb 0.39 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1hbm h GLU 436 CO -0.34 1.14 0.11 0.37 -1.16 0.00 0.00 179.01 179.14 1hbm h GLN 437 N 0.73 0.23 -0.02 2.33 4.15 -0.65 -3.30 115.11 118.58 1hbm h GLN 437 Ca 0.06 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1hbm h GLN 437 Cb 0.99 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1hbm h GLN 437 CO 0.10 0.15 -0.01 0.72 -1.93 0.00 0.00 178.83 177.86 1hbm n HIS 438 N -5.00 0.00 -3.11 3.99 8.25 -0.83 -4.96 115.22 113.56 1hbm n HIS 438 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 1hbm n HIS 438 Cb 0.07 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.20 1hbm n HIS 438 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1hbm n SER 439 N 0.74 -5.48 -3.68 0.41 2.88 -0.44 -4.96 113.62 103.09 1hbm n SER 439 Ca 0.08 -0.31 -0.07 0.00 -1.33 0.00 0.00 58.87 57.24 1hbm n SER 439 Cb 0.34 -4.44 -0.02 0.00 -0.75 0.00 0.00 64.21 59.34 1hbm n SER 439 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hbm s ARG 440 N -5.79 1.34 0.00 -1.46 1.70 -1.18 -5.06 118.95 108.51 1hbm s ARG 440 Ca 0.33 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 1hbm s ARG 440 Cb -0.15 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1hbm s ARG 440 CO 0.41 -0.61 0.00 -0.11 -1.08 0.00 0.00 175.30 173.91 1hbm n LEU 441 N -0.41 0.00 0.00 -1.89 7.94 -1.26 -3.97 117.00 117.40 1hbm n LEU 441 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1hbm n LEU 441 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 1hbm n LEU 441 CO 0.13 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 1hbm n GLY 442 N 0.00 6.05 3.53 -3.96 0.00 -1.26 -3.54 105.19 106.00 1hbm n GLY 442 Ca 0.00 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 1hbm n GLY 442 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hbm s PHE 443 N 1.61 0.74 -0.80 1.61 -0.12 -1.26 -4.71 117.98 115.05 1hbm s PHE 443 Ca 0.00 0.73 0.00 0.00 -0.05 0.00 0.00 56.93 57.61 1hbm s PHE 443 Cb 0.00 -3.23 0.00 0.00 -0.63 0.00 0.00 43.02 39.16 1hbm s PHE 443 CO 0.00 -3.94 0.00 0.98 -0.05 0.00 0.00 175.22 172.22 1hbm n TYR 444 N -4.87 0.00 0.00 3.49 -0.00 -1.26 -4.65 117.16 109.87 1hbm n TYR 444 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.99 1hbm n TYR 444 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 1hbm n TYR 444 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1hbm n TYR 446 N -0.21 0.00 -1.25 2.98 9.36 -1.26 -4.98 117.16 121.80 1hbm n TYR 446 Ca 0.00 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.94 1hbm n TYR 446 Cb 0.00 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 38.85 1hbm n TYR 446 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1hbm n ASP 447 N 0.00 5.38 0.09 2.98 5.75 -1.26 -4.38 116.55 125.11 1hbm n ASP 447 Ca 0.00 -3.67 -0.12 0.00 -0.01 0.00 0.00 54.79 50.99 1hbm n ASP 447 Cb 0.00 -0.90 -0.06 0.00 -1.03 0.00 0.00 41.12 39.13 1hbm n ASP 447 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1hbm h LEU 448 N 1.42 -0.26 -0.73 -2.12 6.46 -1.93 -0.98 115.31 117.16 1hbm h LEU 448 Ca 0.62 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 58.34 1hbm h LEU 448 Cb 2.01 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 42.02 1hbm h LEU 448 CO 1.30 -0.15 -0.30 0.06 -0.62 0.00 0.00 178.44 178.73 1hbm h GLN 449 N -0.22 0.00 0.00 1.25 3.07 -1.76 -3.08 115.11 114.36 1hbm h GLN 449 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.74 1hbm h GLN 449 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 1hbm h GLN 449 CO -0.03 0.30 -0.18 -0.44 0.09 0.00 0.00 178.83 178.56 1hbm h ASP 450 N 0.00 0.00 -0.27 0.06 5.19 -1.68 0.13 116.42 119.85 1hbm h ASP 450 Ca -0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 1hbm h ASP 450 Cb 0.95 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.38 1hbm h ASP 450 CO 0.04 0.04 0.22 0.00 -3.12 0.00 0.00 179.24 176.43 1hbm n GLN 451 N -3.05 1.43 0.00 3.56 1.13 -0.42 -4.24 117.38 115.79 1hbm n GLN 451 Ca 0.03 -0.88 0.00 0.00 -1.94 0.00 0.00 57.00 54.21 1hbm n GLN 451 Cb 0.55 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.56 1hbm n GLN 451 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hbm n GLY 453 N 0.64 2.10 0.13 1.08 0.00 0.46 -4.74 105.19 104.85 1hbm n GLY 453 Ca 0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 1hbm n GLY 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbm h ALA 454 N 0.00 0.34 -0.17 4.61 0.00 -1.85 -1.83 119.26 120.36 1hbm h ALA 454 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 454 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hbm h ALA 454 CO 0.00 -0.27 -0.19 1.03 0.00 0.00 0.00 179.25 179.83 1hbm h SER 455 N 0.27 0.28 0.11 0.00 0.87 -1.95 -2.91 113.55 110.23 1hbm h SER 455 Ca 0.12 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1hbm h SER 455 Cb 0.05 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1hbm h SER 455 CO -0.10 0.49 -0.12 0.59 -0.53 0.00 0.00 176.83 177.16 1hbm n ASN 456 N -4.21 1.23 -0.05 6.23 3.02 -0.84 -3.65 115.26 117.00 1hbm n ASN 456 Ca -0.01 -1.18 -0.11 0.00 -0.03 0.00 0.00 54.58 53.26 1hbm n ASN 456 Cb 0.32 0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 1hbm n ASN 456 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1hbm h VAL 457 N 1.74 1.13 -0.17 2.41 2.07 -1.14 -3.28 116.25 119.01 1hbm h VAL 457 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1hbm h VAL 457 Cb 0.49 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1hbm h VAL 457 CO 0.00 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.21 1hbm n PHE 458 N -4.87 0.21 -1.61 1.57 3.01 -1.26 -4.83 117.46 109.67 1hbm n PHE 458 Ca -0.04 -0.19 -0.38 0.00 1.01 0.00 0.00 57.45 57.85 1hbm n PHE 458 Cb 0.10 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 1hbm n PHE 458 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1hbm n SER 459 N 0.73 0.77 -0.46 4.37 2.88 -1.24 -4.96 113.62 115.71 1hbm n SER 459 Ca 0.10 0.83 0.04 0.00 -1.33 0.00 0.00 58.87 58.51 1hbm n SER 459 Cb 0.38 -1.38 0.10 0.00 -0.75 0.00 0.00 64.21 62.56 1hbm n SER 459 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1hbm n ILE 460 N -1.59 0.84 -1.60 2.46 -6.64 -1.26 -3.99 119.36 107.58 1hbm n ILE 460 Ca 0.13 -0.92 -0.31 0.00 -1.77 0.00 0.00 62.75 59.89 1hbm n ILE 460 Cb 0.46 0.61 0.06 0.00 -1.44 0.00 0.00 39.64 39.34 1hbm n ILE 460 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1hbm s ARG 461 N -0.95 2.69 0.15 6.28 0.52 -1.26 -4.54 118.95 121.84 1hbm s ARG 461 Ca 0.16 0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 55.90 1hbm s ARG 461 Cb 0.09 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 1hbm s ARG 461 CO 0.12 -1.24 1.57 0.78 0.02 0.00 0.00 175.30 176.55 1hbm h GLY 462 N -0.81 -0.71 -2.84 -3.53 0.00 -1.98 0.41 103.07 93.61 1hbm h GLY 462 Ca -0.45 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1hbm h GLY 462 CO 0.58 -0.16 0.00 2.09 0.00 0.00 0.00 176.54 179.05 1hbm n ASP 463 N -5.41 4.98 -0.04 0.19 5.75 -1.26 -4.48 116.55 116.29 1hbm n ASP 463 Ca -0.02 -2.86 -0.06 0.00 -0.01 0.00 0.00 54.79 51.84 1hbm n ASP 463 Cb 0.35 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.79 1hbm n ASP 463 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1hbm n GLU 464 N 0.37 0.19 -3.33 0.11 1.02 -0.72 -4.67 120.64 113.61 1hbm n GLU 464 Ca 0.25 0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 57.06 1hbm n GLU 464 Cb 1.04 -1.06 -0.07 0.00 -0.02 0.00 0.00 31.44 31.33 1hbm n GLU 464 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1hbm s GLY 465 N -4.86 2.10 -0.28 0.62 0.00 0.06 -4.81 107.32 100.14 1hbm s GLY 465 Ca -0.11 -0.46 -0.24 0.00 0.00 0.00 0.00 44.72 43.92 1hbm s GLY 465 CO 0.17 0.91 0.97 1.08 0.00 0.00 0.00 173.10 176.24 1hbm s LEU 466 N 1.39 -0.51 0.41 0.66 1.43 -1.26 -4.83 118.68 115.96 1hbm s LEU 466 Ca 0.21 0.96 -0.25 0.00 -1.03 0.00 0.00 54.13 54.03 1hbm s LEU 466 Cb -0.15 1.96 -0.11 0.00 0.03 0.00 0.00 46.19 47.93 1hbm s LEU 466 CO 0.09 -0.16 1.01 -2.65 0.23 0.00 0.00 176.35 174.86 1hbm n PRO 467 N 2.52 1.35 -0.16 1.29 -0.02 -1.26 -4.83 135.00 133.87 1hbm n PRO 467 Ca -0.14 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 61.87 1hbm n PRO 467 Cb 0.56 -2.03 0.33 0.00 -0.02 0.00 0.00 33.50 32.34 1hbm n PRO 467 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hbm h LEU 468 N 1.57 0.70 -1.85 2.45 5.85 -1.94 -2.30 115.31 119.79 1hbm h LEU 468 Ca -0.44 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.38 1hbm h LEU 468 Cb 1.34 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1hbm h LEU 468 CO 0.57 0.48 0.32 -0.33 -0.34 0.00 0.00 178.44 179.14 1hbm h GLU 469 N 0.81 0.16 0.00 1.25 3.07 -1.94 -1.33 114.58 116.60 1hbm h GLU 469 Ca 0.28 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1hbm h GLU 469 Cb 0.09 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1hbm h GLU 469 CO -0.08 0.11 -0.55 -0.07 -1.40 0.00 0.00 179.01 177.02 1hbm h LEU 470 N 0.17 0.00-10.33 1.33 4.07 -1.77 -1.79 115.31 106.98 1hbm h LEU 470 Ca 0.22 -0.02 -0.46 0.00 0.08 0.00 0.00 57.88 57.70 1hbm h LEU 470 Cb 0.64 0.00 0.16 0.00 1.08 0.00 0.00 40.66 42.54 1hbm h LEU 470 CO -0.03 0.01 0.19 -0.13 -1.08 0.00 0.00 178.44 177.40 1hbm s ARG 471 N -3.28 0.54 0.00 1.13 0.52 -0.50 -4.80 118.95 112.56 1hbm s ARG 471 Ca 0.03 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 1hbm s ARG 471 Cb 0.08 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.81 1hbm s ARG 471 CO 0.73 -2.69 0.00 0.41 0.02 0.00 0.00 175.30 173.77 1hbm n GLY 472 N -0.93 1.81 0.14 -3.53 0.00 -1.26 -0.83 105.19 100.59 1hbm n GLY 472 Ca 0.06 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.44 1hbm n GLY 472 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hbm n PRO 473 N 0.00 0.16 -0.03 1.61 -0.02 -1.25 -1.75 135.00 133.72 1hbm n PRO 473 Ca 0.00 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 1hbm n PRO 473 Cb 0.00 -1.88 0.10 0.00 -0.02 0.00 0.00 33.50 31.70 1hbm n PRO 473 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hbm n ASN 474 N -2.20 2.79 -4.67 2.55 5.15 -1.22 -3.73 115.26 113.93 1hbm n ASN 474 Ca 0.01 -1.86 -0.46 0.00 -0.60 0.00 0.00 54.58 51.66 1hbm n ASN 474 Cb 0.14 -0.04 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 1hbm n ASN 474 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hbm n TYR 475 N 1.17 2.27 -0.23 1.20 9.36 -0.72 -4.83 117.16 125.37 1hbm n TYR 475 Ca 0.13 0.28 -0.01 0.00 3.32 0.00 0.00 57.90 61.62 1hbm n TYR 475 Cb 0.52 -2.54 0.11 0.00 -0.63 0.00 0.00 39.34 36.80 1hbm n TYR 475 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1hbm h PRO 476 N 5.79 0.64 0.00 2.98 0.11 -1.90 0.75 132.00 140.36 1hbm h PRO 476 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1hbm h PRO 476 Cb 1.26 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hbm h PRO 476 CO 0.88 0.42 -0.15 -0.91 -0.21 0.00 0.00 178.00 178.03 1hbm h ASN 477 N 0.66 0.00 -0.23 -2.05 -0.26 -1.91 -2.83 115.58 108.96 1hbm h ASN 477 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 1hbm h ASN 477 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1hbm h ASN 477 CO -0.21 0.15 0.00 -1.22 -1.06 0.00 0.00 177.43 175.10 1hbm n TYR 478 N -3.40 0.29 0.66 1.19 0.53 0.24 -4.23 117.16 112.44 1hbm n TYR 478 Ca -0.00 -0.14 0.11 0.00 -1.02 0.00 0.00 57.90 56.84 1hbm n TYR 478 Cb 0.34 0.00 0.46 0.00 -1.03 0.00 0.00 39.34 39.11 1hbm n TYR 478 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1hbm n ALA 479 N 1.10 1.97 -0.01 -0.72 0.00 -1.07 -4.06 120.51 117.71 1hbm n ALA 479 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 1hbm n ALA 479 Cb 0.52 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1hbm n ALA 479 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1hbm n MET 480 N -1.75 2.95 -5.02 0.00 2.81 -1.26 -4.97 117.12 109.88 1hbm n MET 480 Ca 0.05 -0.01 -0.29 0.00 -1.81 0.00 0.00 57.70 55.64 1hbm n MET 480 Cb 0.28 -1.07 -0.15 0.00 -0.71 0.00 0.00 33.22 31.57 1hbm n MET 480 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1hbm s ASN 481 N -3.13 2.90 1.15 7.83 0.02 -1.26 -5.06 114.94 117.40 1hbm s ASN 481 Ca -0.01 -0.51 -0.13 0.00 -1.02 0.00 0.00 52.86 51.19 1hbm s ASN 481 Cb 0.01 -0.29 0.28 0.00 0.02 0.00 0.00 41.25 41.26 1hbm s ASN 481 CO 0.11 0.26 1.04 0.68 0.02 0.00 0.00 177.10 179.21 1hbm s VAL 482 N -0.69 1.96 -1.09 1.60 -7.23 -1.26 -4.32 120.40 109.37 1hbm s VAL 482 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1hbm s VAL 482 Cb -0.09 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1hbm s VAL 482 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1hbm n GLY 483 N 0.37 0.23 1.14 2.32 0.00 -1.26 -4.83 105.19 103.15 1hbm n GLY 483 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1hbm n GLY 483 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hbm n HIS 484 N -3.68 0.00 0.05 1.61 -0.00 -1.26 -4.56 115.22 107.39 1hbm n HIS 484 Ca -0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.46 1hbm n HIS 484 Cb 0.56 0.26 -0.08 0.00 -0.00 0.00 0.00 29.99 30.73 1hbm n HIS 484 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1hbm h GLN 485 N 0.00 -0.06 -0.36 -0.41 4.20 -1.88 -0.32 115.11 116.28 1hbm h GLN 485 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1hbm h GLN 485 Cb 0.14 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1hbm h GLN 485 CO 0.00 0.06 -0.02 0.78 -0.67 0.00 0.00 178.83 178.98 1hbm h GLY 486 N -0.18 0.61 1.55 3.46 0.00 -1.89 -2.06 103.07 104.57 1hbm h GLY 486 Ca -0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1hbm h GLY 486 CO 0.01 0.35 -0.06 0.83 0.00 0.00 0.00 176.54 177.67 1hbm h GLU 487 N 0.54 0.55 -0.59 4.80 3.07 -1.72 -2.49 114.58 118.75 1hbm h GLU 487 Ca 0.11 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 1hbm h GLU 487 Cb 0.38 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1hbm h GLU 487 CO 0.01 0.62 0.07 1.88 -1.40 0.00 0.00 179.01 180.20 1hbm h TYR 488 N 0.52 1.03 -0.96 4.33 0.99 -0.63 -0.90 116.97 121.35 1hbm h TYR 488 Ca 0.10 -0.14 0.01 0.00 2.00 0.00 0.00 58.73 60.70 1hbm h TYR 488 Cb 0.43 -0.28 -0.05 0.00 1.00 0.00 0.00 36.73 37.83 1hbm h TYR 488 CO 0.02 0.89 0.63 0.00 -0.00 0.00 0.00 178.16 179.70 1hbm h ALA 489 N 1.16 1.22 -0.55 3.88 0.00 -1.13 0.60 119.26 124.44 1hbm h ALA 489 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1hbm h ALA 489 Cb 0.44 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1hbm h ALA 489 CO 0.01 0.60 0.25 0.78 0.00 0.00 0.00 179.25 180.89 1hbm h GLY 490 N 1.29 0.85 1.33 0.00 0.00 -0.90 -1.84 103.07 103.80 1hbm h GLY 490 Ca 0.35 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1hbm h GLY 490 CO -0.08 0.41 0.14 -2.22 0.00 0.00 0.00 176.54 174.79 1hbm h ILE 491 N 0.74 1.23 -0.89 2.60 2.04 -0.88 -0.48 117.51 121.87 1hbm h ILE 491 Ca 0.19 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1hbm h ILE 491 Cb 0.15 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1hbm h ILE 491 CO -0.02 0.30 0.53 0.77 0.00 0.00 0.00 178.15 179.74 1hbm h SER 492 N 0.81 1.07 0.28 1.72 4.64 -0.61 -2.79 113.55 118.67 1hbm h SER 492 Ca 0.18 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 1hbm h SER 492 Cb 0.29 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1hbm h SER 492 CO -0.00 0.82 -0.64 -0.61 -0.87 0.00 0.00 176.83 175.53 1hbm h GLN 493 N 1.22 0.34 -0.37 4.77 5.75 -0.73 -3.40 115.11 122.70 1hbm h GLN 493 Ca 0.32 -0.25 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 1hbm h GLN 493 Cb -0.05 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.46 1hbm h GLN 493 CO -0.06 0.86 -0.17 0.00 -2.65 0.00 0.00 178.83 176.82 1hbm h ALA 494 N 1.07 0.11 -0.24 3.38 0.00 -0.81 -0.44 119.26 122.34 1hbm h ALA 494 Ca -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1hbm h ALA 494 Cb 1.17 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1hbm h ALA 494 CO 0.11 -0.54 -0.28 -1.00 0.00 0.00 0.00 179.25 177.53 1hbm h PRO 495 N -0.11 0.47 -0.42 0.00 0.13 -1.74 -1.06 132.00 129.26 1hbm h PRO 495 Ca 0.18 -0.18 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1hbm h PRO 495 Cb 0.39 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1hbm h PRO 495 CO -0.44 0.70 -0.22 0.45 -0.23 0.00 0.00 178.00 178.27 1hbm h HIS 496 N 0.41 0.98 -0.44 1.56 3.86 -1.58 0.63 115.15 120.57 1hbm h HIS 496 Ca 0.06 -0.23 -0.10 0.00 -1.16 0.00 0.00 60.37 58.93 1hbm h HIS 496 Cb 0.70 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1hbm h HIS 496 CO 0.02 0.99 -0.13 0.00 0.86 0.00 0.00 177.93 179.68 1hbm h ALA 497 N 1.00 0.61 -0.59 2.45 0.00 -0.83 0.31 119.26 122.21 1hbm h ALA 497 Ca 0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1hbm h ALA 497 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1hbm h ALA 497 CO 0.06 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.89 1hbm h ALA 498 N 0.86 1.00 0.00 0.00 0.00 -1.03 -2.64 119.26 117.44 1hbm h ALA 498 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hbm h ALA 498 Cb 0.67 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hbm h ALA 498 CO 0.05 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 1hbm h ARG 499 N 0.91 0.00 -0.02 0.00 3.08 -0.70 -3.47 114.38 114.19 1hbm h ARG 499 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1hbm h ARG 499 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1hbm h ARG 499 CO 0.02 0.05 -0.01 0.41 -1.07 0.00 0.00 179.97 179.37 1hbm n GLY 500 N -0.03 0.39 3.77 0.04 0.00 -0.46 -5.04 105.19 103.86 1hbm n GLY 500 Ca 0.00 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1hbm n GLY 500 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hbm s ASP 501 N -2.99 6.40 0.46 1.61 1.01 -0.03 -4.90 116.67 118.23 1hbm s ASP 501 Ca 0.00 2.68 0.26 0.00 0.71 0.00 0.00 52.55 56.20 1hbm s ASP 501 Cb 0.00 -2.64 0.98 0.00 1.01 0.00 0.00 42.92 42.27 1hbm s ASP 501 CO 0.00 -0.79 1.85 0.00 0.21 0.00 0.00 175.17 176.43 1hbm h ALA 502 N 2.83 1.02 -2.77 5.23 0.00 -1.90 -3.44 119.26 120.23 1hbm h ALA 502 Ca -0.50 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1hbm h ALA 502 Cb 1.24 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1hbm h ALA 502 CO 0.63 0.23 -0.18 -0.59 0.00 0.00 0.00 179.25 179.34 1hbm s PHE 503 N -3.64 0.31 -0.23 0.00 -0.71 -1.26 -4.97 117.98 107.49 1hbm s PHE 503 Ca 0.01 -0.67 -0.00 0.00 -1.04 0.00 0.00 56.93 55.23 1hbm s PHE 503 Cb 0.10 0.12 -0.14 0.00 -1.21 0.00 0.00 43.02 41.89 1hbm s PHE 503 CO 0.62 -0.88 -0.21 0.28 -1.34 0.00 0.00 175.22 173.69 1hbm n VAL 504 N -0.32 1.29 0.00 -2.49 0.31 -1.26 -4.93 118.33 110.93 1hbm n VAL 504 Ca -0.05 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1hbm n VAL 504 Cb 0.62 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1hbm n VAL 504 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1hbm n PHE 505 N -3.28 0.00 -3.50 3.52 7.35 -1.26 -5.02 117.46 115.27 1hbm n PHE 505 Ca -0.41 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.15 1hbm n PHE 505 Cb 0.91 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.63 1hbm n PHE 505 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1hbm s ASN 506 N -1.08 0.55 0.40 -2.13 3.84 -1.26 -5.01 114.94 110.25 1hbm s ASN 506 Ca 0.00 0.27 0.16 0.00 0.21 0.00 0.00 52.86 53.50 1hbm s ASN 506 Cb 0.00 0.82 0.83 0.00 -0.55 0.00 0.00 41.25 42.35 1hbm s ASN 506 CO 0.00 -0.28 1.85 1.55 -2.79 0.00 0.00 177.10 177.42 1hbm h PRO 507 N 8.25 0.00 -0.35 0.43 0.13 -1.97 -2.43 132.00 136.05 1hbm h PRO 507 Ca -0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.91 1hbm h PRO 507 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1hbm h PRO 507 CO 0.22 0.34 0.03 -0.07 -0.23 0.00 0.00 178.00 178.29 1hbm h LEU 508 N 0.00 0.59 -0.68 1.56 3.38 -1.97 -1.95 115.31 116.24 1hbm h LEU 508 Ca -0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1hbm h LEU 508 Cb 0.66 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1hbm h LEU 508 CO 0.04 0.73 0.42 0.58 0.09 0.00 0.00 178.44 180.30 1hbm h VAL 509 N 0.42 1.19 0.13 1.22 2.07 -1.86 -1.12 116.25 118.31 1hbm h VAL 509 Ca 0.10 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1hbm h VAL 509 Cb 0.41 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1hbm h VAL 509 CO 0.01 0.20 -0.22 0.50 0.02 0.00 0.00 177.57 178.08 1hbm h LYS 510 N 0.93 -0.40 -0.65 1.57 1.63 -1.32 -2.66 116.57 115.67 1hbm h LYS 510 Ca 0.25 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1hbm h LYS 510 Cb -0.04 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1hbm h LYS 510 CO -0.05 -0.27 0.25 0.82 -3.45 0.00 0.00 179.45 176.75 1hbm h ILE 511 N -0.42 1.23 0.00 2.00 2.04 -1.27 -3.13 117.51 117.96 1hbm h ILE 511 Ca 0.02 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1hbm h ILE 511 Cb 0.43 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1hbm h ILE 511 CO -0.11 0.29 -0.01 0.00 0.00 0.00 0.00 178.15 178.32 1hbm h ALA 512 N 1.33 1.47 -0.51 1.87 0.00 -0.84 -1.40 119.26 121.18 1hbm h ALA 512 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1hbm h ALA 512 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1hbm h ALA 512 CO -0.02 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1hbm n PHE 513 N -3.78 0.67 -1.67 0.00 3.01 -1.16 -4.65 117.46 109.88 1hbm n PHE 513 Ca -0.03 -0.41 -0.37 0.00 1.01 0.00 0.00 57.45 57.65 1hbm n PHE 513 Cb 0.10 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 1hbm n PHE 513 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hbm n ALA 514 N 1.25 7.01 -3.66 4.37 0.00 -0.53 -4.86 120.51 124.09 1hbm n ALA 514 Ca 0.19 -3.69 -0.24 0.00 0.00 0.00 0.00 53.44 49.70 1hbm n ALA 514 Cb 0.55 -2.89 -0.17 0.00 0.00 0.00 0.00 19.45 16.93 1hbm n ALA 514 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hbm s ASP 515 N 1.04 1.86 0.03 0.00 3.68 -1.26 -4.87 116.67 117.14 1hbm s ASP 515 Ca 0.60 -0.31 0.18 0.00 2.13 0.00 0.00 52.55 55.15 1hbm s ASP 515 Cb 0.21 -0.25 0.77 0.00 -1.45 0.00 0.00 42.92 42.20 1hbm s ASP 515 CO -0.09 -0.29 1.58 0.47 0.13 0.00 0.00 175.17 176.97 1hbm n ASP 516 N 5.26 0.09 -0.19 -0.34 8.00 -1.26 -2.36 116.55 125.75 1hbm n ASP 516 Ca -0.06 0.52 0.15 0.00 0.71 0.00 0.00 54.79 56.11 1hbm n ASP 516 Cb 0.49 -0.54 0.66 0.00 -0.02 0.00 0.00 41.12 41.72 1hbm n ASP 516 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1hbm n ASN 517 N -1.59 0.64 -4.71 -2.24 4.13 -1.26 -4.87 115.26 105.35 1hbm n ASN 517 Ca 0.04 -0.93 -0.32 0.00 1.68 0.00 0.00 54.58 55.06 1hbm n ASN 517 Cb 0.21 -0.03 0.13 0.00 -1.54 0.00 0.00 39.78 38.55 1hbm n ASN 517 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1hbm s LEU 518 N -2.24 3.02 -0.09 3.41 1.43 -0.99 -4.97 118.68 118.25 1hbm s LEU 518 Ca 0.36 2.15 -0.24 0.00 -1.03 0.00 0.00 54.13 55.36 1hbm s LEU 518 Cb 0.21 -4.56 -0.29 0.00 0.03 0.00 0.00 46.19 41.58 1hbm s LEU 518 CO 0.41 -2.61 0.82 0.58 0.23 0.00 0.00 176.35 175.78 1hbm h VAL 519 N -1.25 1.60 -3.66 -1.59 2.07 -1.91 -3.45 116.25 108.05 1hbm h VAL 519 Ca -0.44 -2.45 -0.50 0.00 0.82 0.00 0.00 66.70 64.12 1hbm h VAL 519 Cb 1.27 3.25 -0.02 0.00 -1.52 0.00 0.00 31.29 34.26 1hbm h VAL 519 CO 0.46 0.67 0.32 0.12 0.02 0.00 0.00 177.57 179.16 1hbm s PHE 520 N -2.35 3.93 -0.69 1.57 5.36 -1.26 -5.02 117.98 119.51 1hbm s PHE 520 Ca -0.16 1.83 -0.20 0.00 -0.96 0.00 0.00 56.93 57.44 1hbm s PHE 520 Cb -0.00 -2.96 0.10 0.00 -0.34 0.00 0.00 43.02 39.82 1hbm s PHE 520 CO 0.77 0.41 0.88 0.34 -1.46 0.00 0.00 175.22 176.16 1hbm s ASP 521 N -0.89 6.30 0.00 6.13 -1.08 -1.26 -4.92 116.67 120.96 1hbm s ASP 521 Ca 0.41 -1.48 0.18 0.00 -0.52 0.00 0.00 52.55 51.14 1hbm s ASP 521 Cb -0.25 -2.35 0.85 0.00 -1.46 0.00 0.00 42.92 39.71 1hbm s ASP 521 CO 0.30 -1.18 1.57 0.49 0.52 0.00 0.00 175.17 176.86 1hbm n PHE 522 N 6.70 0.00 0.35 -5.34 3.01 -1.26 -1.96 117.46 118.96 1hbm n PHE 522 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 1hbm n PHE 522 Cb 0.45 -0.39 0.38 0.00 -0.01 0.00 0.00 39.48 39.91 1hbm n PHE 522 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1hbm h THR 523 N 0.00 0.00 -1.42 4.37 1.35 -1.91 -0.98 112.91 114.32 1hbm h THR 523 Ca 0.00 -0.68 -0.44 0.00 -0.55 0.00 0.00 66.41 64.74 1hbm h THR 523 Cb 0.24 1.65 -0.32 0.00 -1.73 0.00 0.00 68.15 67.99 1hbm h THR 523 CO 0.00 0.00 -0.95 -3.20 -0.25 0.00 0.00 175.52 171.12 1hbm n ASN 524 N -2.81 -0.47 -0.16 5.36 5.15 -0.83 -4.36 115.26 117.15 1hbm n ASN 524 Ca 0.03 -3.01 -0.03 0.00 -0.60 0.00 0.00 54.58 50.97 1hbm n ASN 524 Cb 0.42 0.09 0.06 0.00 -0.53 0.00 0.00 39.78 39.82 1hbm n ASN 524 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1hbm h VAL 525 N 2.00 0.86 -0.22 3.44 2.07 -1.76 -1.47 116.25 121.18 1hbm h VAL 525 Ca 0.02 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 1hbm h VAL 525 Cb 0.96 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1hbm h VAL 525 CO 0.41 0.07 -0.53 0.03 0.02 0.00 0.00 177.57 177.57 1hbm h ARG 526 N 0.38 0.63 -0.68 1.57 3.08 -1.91 -1.75 114.38 115.71 1hbm h ARG 526 Ca 0.24 -0.39 0.14 0.00 0.07 0.00 0.00 59.98 60.04 1hbm h ARG 526 Cb 0.23 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.22 1hbm h ARG 526 CO -0.22 1.00 0.12 0.78 -1.07 0.00 0.00 179.97 180.58 1hbm h GLY 527 N 0.98 0.87 1.01 0.04 0.00 -1.76 -2.42 103.07 101.81 1hbm h GLY 527 Ca 0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1hbm h GLY 527 CO 0.10 -0.18 -0.10 0.83 0.00 0.00 0.00 176.54 177.19 1hbm h GLU 528 N 0.23 0.85 -0.81 4.80 4.39 -0.95 -1.85 114.58 121.23 1hbm h GLU 528 Ca 0.37 -0.32 0.09 0.00 0.34 0.00 0.00 59.36 59.84 1hbm h GLU 528 Cb 0.61 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.14 1hbm h GLU 528 CO -0.49 0.96 0.47 0.74 -1.16 0.00 0.00 179.01 179.52 1hbm h PHE 529 N 0.68 0.85 -0.32 4.33 0.04 -1.09 0.79 116.94 122.21 1hbm h PHE 529 Ca 0.11 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1hbm h PHE 529 Cb 0.64 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1hbm h PHE 529 CO 0.05 0.36 0.14 0.00 -0.60 0.00 0.00 178.31 178.25 1hbm h ALA 530 N 1.44 0.42 -0.96 2.45 0.00 -1.30 -0.31 119.26 121.00 1hbm h ALA 530 Ca 0.39 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1hbm h ALA 530 Cb 0.34 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1hbm h ALA 530 CO -0.24 0.00 0.63 -0.22 0.00 0.00 0.00 179.25 179.42 1hbm h LYS 531 N 0.38 1.16 -0.44 0.00 3.64 -0.68 -1.78 116.57 118.84 1hbm h LYS 531 Ca 0.11 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1hbm h LYS 531 Cb 0.16 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1hbm h LYS 531 CO -0.01 0.76 -0.12 0.78 -2.27 0.00 0.00 179.45 178.59 1hbm h GLY 532 N 1.19 0.87 1.17 5.01 0.00 -0.62 -1.77 103.07 108.92 1hbm h GLY 532 Ca 0.39 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1hbm h GLY 532 CO -0.14 0.61 0.35 0.00 0.00 0.00 0.00 176.54 177.37 1hbm h ALA 533 N 1.14 1.21 0.00 3.60 0.00 -0.24 -1.67 119.26 123.29 1hbm h ALA 533 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hbm h ALA 533 Cb 0.62 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hbm h ALA 533 CO 0.04 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.17 1hbm n LEU 534 N -4.32 0.00 -1.60 0.00 4.77 -0.77 -4.88 117.00 110.21 1hbm n LEU 534 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1hbm n LEU 534 Cb 0.14 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1hbm n LEU 534 CO 0.39 -0.00 -0.07 0.54 -1.33 0.00 0.00 177.39 176.92 1hbm n ARG 535 N -1.00 -1.92 0.00 3.23 1.74 -0.63 -4.91 116.66 113.17 1hbm n ARG 535 Ca 0.22 0.55 0.06 0.00 -0.77 0.00 0.00 57.85 57.90 1hbm n ARG 535 Cb 0.10 -4.65 0.02 0.00 -1.02 0.00 0.00 32.46 26.92 1hbm n ARG 535 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1hbm n GLU 536 N -2.39 1.38 -3.44 5.56 1.02 -0.69 -4.99 120.64 117.10 1hbm n GLU 536 Ca -0.10 -0.94 -0.38 0.00 -0.02 0.00 0.00 57.16 55.72 1hbm n GLU 536 Cb 0.59 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 30.76 1hbm n GLU 536 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1hbm s PHE 537 N -1.29 3.64 -0.37 -0.32 5.36 -1.22 -4.93 117.98 118.84 1hbm s PHE 537 Ca 0.12 0.93 -0.07 0.00 -0.96 0.00 0.00 56.93 56.95 1hbm s PHE 537 Cb 0.10 -2.39 0.06 0.00 -0.34 0.00 0.00 43.02 40.45 1hbm s PHE 537 CO 0.23 0.45 0.17 -1.21 -1.46 0.00 0.00 175.22 173.40 1hbm s GLU 538 N -0.39 2.58 0.60 10.12 2.02 -1.26 -4.82 118.70 127.55 1hbm s GLU 538 Ca 0.24 -1.32 -0.08 0.00 0.02 0.00 0.00 54.97 53.83 1hbm s GLU 538 Cb -0.16 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.47 1hbm s GLU 538 CO 0.12 -0.79 0.95 -1.25 0.02 0.00 0.00 175.26 174.30 1hbm s PRO 539 N 1.40 3.12 0.75 0.39 0.04 -1.26 -5.03 135.00 134.41 1hbm s PRO 539 Ca 0.01 0.26 -0.10 0.00 0.04 0.00 0.00 61.00 61.21 1hbm s PRO 539 Cb -0.21 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.19 1hbm s PRO 539 CO 0.02 -0.67 1.09 0.00 0.04 0.00 0.00 177.00 177.48 1hbm s ALA 540 N -3.06 2.91 0.00 8.56 0.00 -1.26 -4.71 121.76 124.20 1hbm s ALA 540 Ca 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1hbm s ALA 540 Cb -0.11 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1hbm s ALA 540 CO 0.48 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1hbm n GLY 541 N -3.10 0.42 3.83 0.00 0.00 -1.26 -4.86 105.19 100.23 1hbm n GLY 541 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1hbm n GLY 541 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hbm s GLU 542 N -0.99 3.63 -0.11 1.61 0.41 -1.26 -4.56 118.70 117.43 1hbm s GLU 542 Ca 0.00 1.02 0.17 0.00 -0.41 0.00 0.00 54.97 55.75 1hbm s GLU 542 Cb 0.00 -2.08 0.62 0.00 -1.78 0.00 0.00 34.13 30.89 1hbm s GLU 542 CO 0.00 -0.54 1.53 0.54 -0.49 0.00 0.00 175.26 176.30 1hbm n ARG 543 N -1.96 3.49 -0.01 1.61 3.00 -1.26 -4.68 116.66 116.86 1hbm n ARG 543 Ca 0.07 -2.75 0.04 0.00 -0.01 0.00 0.00 57.85 55.20 1hbm n ARG 543 Cb 0.54 -1.79 0.42 0.00 0.00 0.00 0.00 32.46 31.62 1hbm n ARG 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hbm h ALA 544 N 3.30 1.70 0.00 7.54 0.00 -1.93 -0.94 119.26 128.93 1hbm h ALA 544 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 544 Cb 1.35 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1hbm h ALA 544 CO 0.20 0.27 -0.11 1.25 0.00 0.00 0.00 179.25 180.87 1hbm h LEU 545 N 0.57 0.00 -3.19 0.00 5.85 -1.97 -3.04 115.31 113.55 1hbm h LEU 545 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1hbm h LEU 545 Cb -0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1hbm h LEU 545 CO -0.03 0.11 0.00 2.30 -0.34 0.00 0.00 178.44 180.47 1hbm n ILE 546 N -3.73 2.16 -4.52 4.05 -5.35 -0.37 -4.99 119.36 106.61 1hbm n ILE 546 Ca -0.02 -1.96 -0.25 0.00 -0.27 0.00 0.00 62.75 60.26 1hbm n ILE 546 Cb 0.22 -0.23 -0.11 0.00 -1.74 0.00 0.00 39.64 37.78 1hbm n ILE 546 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1hbm s THR 547 N -2.79 1.85 0.75 7.28 -4.23 -1.14 -5.12 115.64 112.23 1hbm s THR 547 Ca 0.39 -2.09 -0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1hbm s THR 547 Cb 0.32 -2.72 0.05 0.00 1.34 0.00 0.00 72.50 71.50 1hbm s THR 547 CO 0.07 -0.14 1.22 -2.84 -0.54 0.00 0.00 174.62 172.39 1hbm s PRO 548 N -3.71 1.96 0.00 3.99 0.02 -1.26 -4.93 135.00 131.06 1hbm s PRO 548 Ca 0.33 1.80 0.12 0.00 0.02 0.00 0.00 61.00 63.27 1hbm s PRO 548 Cb 0.06 -1.81 0.70 0.00 0.02 0.00 0.00 34.50 33.48 1hbm s PRO 548 CO 0.16 -1.98 1.14 0.00 -0.33 0.00 0.00 177.00 175.98