#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbm s ASP 3 N 0.00 5.77 0.56 0.00 -0.00 -1.26 -4.98 116.67 116.76 1hbm s ASP 3 Ca 0.00 2.00 -0.20 0.00 -0.00 0.00 0.00 52.55 54.35 1hbm s ASP 3 Cb 0.00 -2.56 -0.06 0.00 -0.00 0.00 0.00 42.92 40.31 1hbm s ASP 3 CO 0.00 -1.18 1.11 0.29 -0.00 0.00 0.00 175.17 175.39 1hbm n LYS 4 N -1.59 1.21 0.29 8.23 4.76 -1.26 -4.89 118.16 124.91 1hbm n LYS 4 Ca 0.10 0.46 0.17 0.00 -2.87 0.00 0.00 58.31 56.17 1hbm n LYS 4 Cb 0.52 -2.29 0.86 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.93 0.00 -0.45 -0.35 3.38 -1.93 -2.32 115.31 114.57 1hbm h LEU 5 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1hbm h LEU 5 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1hbm h LEU 5 CO 0.54 0.04 -0.25 2.22 0.09 0.00 0.00 178.44 181.08 1hbm n PHE 6 N -3.26 0.00 -0.31 1.13 1.16 -1.26 -4.45 117.46 110.48 1hbm n PHE 6 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.54 1hbm n PHE 6 Cb 0.22 -0.13 0.09 0.00 -1.61 0.00 0.00 39.48 38.05 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 1.10 1.17 -0.78 1.97 1.08 -1.72 -2.49 117.51 117.84 1hbm h ILE 7 Ca 0.00 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1hbm h ILE 7 Cb 0.49 -0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 1hbm h ILE 7 CO 0.00 0.20 0.44 0.78 -0.69 0.00 0.00 178.15 178.87 1hbm h ASN 8 N 1.09 0.96 -0.67 1.72 2.35 -1.82 -1.30 115.58 117.91 1hbm h ASN 8 Ca 0.32 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 1hbm h ASN 8 Cb -0.05 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1hbm h ASN 8 CO -0.09 0.78 0.12 0.00 -1.65 0.00 0.00 177.43 176.58 1hbm h ALA 9 N 1.23 0.94 -0.77 -0.83 0.00 -1.78 -1.25 119.26 116.80 1hbm h ALA 9 Ca 0.27 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 9 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1hbm h ALA 9 CO -0.05 0.66 0.30 -0.07 0.00 0.00 0.00 179.25 180.10 1hbm h LEU 10 N 1.04 1.06 -1.15 0.00 3.38 -1.01 -2.31 115.31 116.31 1hbm h LEU 10 Ca 0.21 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1hbm h LEU 10 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1hbm h LEU 10 CO 0.01 0.95 -0.12 0.11 0.09 0.00 0.00 178.44 179.47 1hbm h LYS 11 N 1.11 0.44 -0.38 1.13 1.57 -0.89 -2.67 116.57 116.88 1hbm h LYS 11 Ca 0.25 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1hbm h LYS 11 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1hbm h LYS 11 CO -0.02 0.57 -0.18 0.87 -0.57 0.00 0.00 179.45 180.11 1hbm h LYS 12 N 0.41 0.72 -0.23 3.15 1.79 -0.97 -3.31 116.57 118.12 1hbm h LYS 12 Ca 0.08 -0.26 -0.19 0.00 -2.18 0.00 0.00 60.65 58.09 1hbm h LYS 12 Cb 0.47 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1hbm h LYS 12 CO 0.03 0.85 -0.61 0.87 -1.08 0.00 0.00 179.45 179.51 1hbm h LYS 13 N 0.64 0.82 -5.91 3.15 1.57 -1.12 -3.47 116.57 112.25 1hbm h LYS 13 Ca 0.10 -0.57 -0.51 0.00 -1.87 0.00 0.00 60.65 57.79 1hbm h LYS 13 Cb 0.66 0.09 -0.21 0.00 0.08 0.00 0.00 32.23 32.85 1hbm h LYS 13 CO 0.05 1.20 -0.81 -0.06 -0.57 0.00 0.00 179.45 179.26 1hbm s PHE 14 N -3.98 1.64 0.21 -1.35 2.99 -1.04 -4.91 117.98 111.53 1hbm s PHE 14 Ca -0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 56.93 56.35 1hbm s PHE 14 Cb 0.09 -0.89 0.16 0.00 0.00 0.00 0.00 43.02 42.38 1hbm s PHE 14 CO 0.89 0.18 1.55 0.93 -0.00 0.00 0.00 175.22 178.77 1hbm h GLU 15 N 4.00 0.58 -7.22 0.44 5.08 -1.90 -3.44 114.58 112.12 1hbm h GLU 15 Ca -0.44 -0.32 -0.51 0.00 -1.00 0.00 0.00 59.36 57.09 1hbm h GLU 15 Cb 1.19 0.02 0.11 0.00 0.50 0.00 0.00 28.75 30.56 1hbm h GLU 15 CO 0.42 0.92 0.36 -1.21 -1.00 0.00 0.00 179.01 178.50 1hbm s GLU 16 N -4.16 2.69 0.71 2.33 8.01 -1.26 -5.03 118.70 121.99 1hbm s GLU 16 Ca -0.08 1.35 -0.15 0.00 0.01 0.00 0.00 54.97 56.10 1hbm s GLU 16 Cb 0.12 -1.94 0.03 0.00 -4.31 0.00 0.00 34.13 28.03 1hbm s GLU 16 CO 0.83 -1.33 1.17 0.45 0.01 0.00 0.00 175.26 176.40 1hbm s SER 17 N -2.74 4.49 0.51 -0.19 0.15 -1.26 -4.87 113.70 109.80 1hbm s SER 17 Ca 0.66 2.24 0.30 0.00 0.70 0.00 0.00 55.95 59.85 1hbm s SER 17 Cb -0.20 -2.58 1.21 0.00 -1.71 0.00 0.00 66.02 62.75 1hbm s SER 17 CO 0.44 -2.05 1.93 1.55 1.20 0.00 0.00 173.24 176.31 1hbm h PRO 18 N -0.18 0.00 0.00 5.44 0.13 -1.95 -2.27 132.00 133.17 1hbm h PRO 18 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1hbm h PRO 18 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1hbm h PRO 18 CO 0.51 0.09 -0.26 0.39 -0.23 0.00 0.00 178.00 178.51 1hbm n GLU 19 N -3.24 0.03 -2.26 0.86 4.71 -1.26 -2.38 120.64 117.10 1hbm n GLU 19 Ca 0.00 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.76 1hbm n GLU 19 Cb 0.35 -1.52 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 1hbm n GLU 19 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1hbm s GLU 20 N -3.01 4.46 0.03 3.49 2.02 -0.86 -4.55 118.70 120.28 1hbm s GLU 20 Ca 0.12 2.04 0.24 0.00 0.02 0.00 0.00 54.97 57.40 1hbm s GLU 20 Cb 0.18 -3.13 0.40 0.00 0.10 0.00 0.00 34.13 31.68 1hbm s GLU 20 CO 0.62 -0.06 1.34 1.63 0.02 0.00 0.00 175.26 178.81 1hbm n LYS 21 N 1.26 0.08 -4.33 1.61 5.02 -1.26 -4.52 118.16 116.02 1hbm n LYS 21 Ca 0.01 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 1hbm n LYS 21 Cb 0.43 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 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 -3.05 1.26 0.00 1.97 1.02 -1.26 -5.10 119.74 114.58 1hbm s LYS 22 Ca 0.09 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1hbm s LYS 22 Cb 0.16 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 1hbm s LYS 22 CO 0.72 0.34 0.00 -2.37 -0.92 0.00 0.00 175.35 173.12 1hbm n THR 23 N 0.75 0.00 -4.92 2.17 5.66 -1.26 -5.01 114.28 111.67 1hbm n THR 23 Ca -0.17 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.56 1hbm n THR 23 Cb 0.55 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.16 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 -2.38 1.58 0.51 1.09 2.01 -1.26 -5.15 115.64 112.03 1hbm s THR 24 Ca 0.00 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.26 1hbm s THR 24 Cb 0.00 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1hbm s THR 24 CO 0.00 0.45 0.12 -0.36 -0.69 0.00 0.00 174.62 174.14 1hbm s PHE 25 N 0.20 1.90 0.00 4.92 0.40 -1.26 -4.87 117.98 119.27 1hbm s PHE 25 Ca -0.09 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 1hbm s PHE 25 Cb -0.14 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1hbm s PHE 25 CO 0.04 0.06 0.00 0.66 0.70 0.00 0.00 175.22 176.68 1hbm n TYR 26 N -1.37 0.00 -1.37 0.36 4.02 -0.34 -4.80 117.16 113.66 1hbm n TYR 26 Ca -0.13 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.80 1hbm n TYR 26 Cb 0.66 -0.26 0.20 0.00 -0.02 0.00 0.00 39.34 39.92 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 2.27 1.05 -0.72 -2.24 -1.26 -4.64 114.28 106.74 1hbm n THR 27 Ca 0.00 -2.71 0.11 0.00 -2.27 0.00 0.00 64.05 59.18 1hbm n THR 27 Cb 0.00 -0.27 0.08 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.11 1.75 0.00 3.22 4.77 -1.26 -4.95 117.00 119.43 1hbm n LEU 28 Ca 0.23 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1hbm n LEU 28 Cb 0.82 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1hbm n LEU 28 CO 0.07 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1hbm n GLY 29 N 1.41 0.68 7.00 -0.72 0.00 -1.26 -3.81 105.19 108.48 1hbm n GLY 29 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.60 3.17 0.25 -0.02 0.00 -1.21 -2.23 105.19 102.55 1hbm n GLY 30 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.80 -3.04 115.95 117.80 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 0.15 0.00 1.63 -1.28 0.00 0.00 178.44 178.94 1hbm n LYS 32 N -3.43 0.05 0.28 0.12 5.02 -0.95 -1.36 118.16 117.91 1hbm n LYS 32 Ca -0.01 0.39 0.18 0.00 -2.02 0.00 0.00 58.31 56.85 1hbm n LYS 32 Cb 0.33 -1.62 0.71 0.00 -0.02 0.00 0.00 35.03 34.43 1hbm n LYS 32 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1hbm h GLN 33 N 0.00 0.00 -5.20 1.97 3.07 -1.63 -3.45 115.11 109.87 1hbm h GLN 33 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 58.11 1hbm h GLN 33 Cb 0.19 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 27.56 1hbm h GLN 33 CO 0.00 0.00 -0.60 0.45 0.09 0.00 0.00 178.83 178.78 1hbm s SER 34 N -5.68 5.37 0.17 0.06 0.15 -0.46 -4.99 113.70 108.32 1hbm s SER 34 Ca 0.01 -0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.49 1hbm s SER 34 Cb 0.09 -1.92 0.06 0.00 -1.71 0.00 0.00 66.02 62.54 1hbm s SER 34 CO 0.54 0.12 1.82 -0.08 1.20 0.00 0.00 173.24 176.84 1hbm h GLU 35 N 7.06 0.70 -0.14 5.44 4.81 -1.86 -1.82 114.58 128.77 1hbm h GLU 35 Ca -0.36 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1hbm h GLU 35 Cb 1.17 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1hbm h GLU 35 CO 0.66 0.49 -0.04 -0.09 -0.73 0.00 0.00 179.01 179.29 1hbm h ARG 36 N 0.71 0.27 -0.33 1.92 9.65 -1.93 -1.82 114.38 122.86 1hbm h ARG 36 Ca 0.19 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1hbm h ARG 36 Cb -0.05 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1hbm h ARG 36 CO -0.04 0.57 0.19 0.87 2.80 0.00 0.00 179.97 184.36 1hbm h LYS 37 N -0.04 0.44 -0.47 0.20 1.79 -1.83 -1.11 116.57 115.55 1hbm h LYS 37 Ca 0.03 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1hbm h LYS 37 Cb 0.47 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1hbm h LYS 37 CO 0.01 0.31 -0.18 1.15 -1.08 0.00 0.00 179.45 179.67 1hbm h THR 38 N 0.45 1.27 -0.71 -0.16 2.02 -1.14 0.20 112.91 114.84 1hbm h THR 38 Ca 0.12 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 65.99 1hbm h THR 38 Cb -0.00 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1hbm h THR 38 CO -0.02 0.46 0.45 -0.08 0.37 0.00 0.00 175.52 176.70 1hbm h GLU 39 N 0.80 0.87 -0.51 6.66 4.81 -0.77 -2.60 114.58 123.84 1hbm h GLU 39 Ca 0.11 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1hbm h GLU 39 Cb 0.75 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1hbm h GLU 39 CO 0.06 0.58 0.09 0.74 -0.73 0.00 0.00 179.01 179.75 1hbm h PHE 40 N 0.90 0.89 -0.52 0.92 0.05 -0.72 -0.92 116.94 117.53 1hbm h PHE 40 Ca 0.28 -0.12 0.05 0.00 3.82 0.00 0.00 57.97 62.00 1hbm h PHE 40 Cb -0.02 -0.25 -0.05 0.00 2.00 0.00 0.00 35.95 37.63 1hbm h PHE 40 CO -0.04 0.80 0.25 0.28 -0.18 0.00 0.00 178.31 179.43 1hbm h VAL 41 N 0.72 0.93 -0.42 -0.55 2.07 -0.85 0.80 116.25 118.94 1hbm h VAL 41 Ca 0.16 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1hbm h VAL 41 Cb 0.38 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1hbm h VAL 41 CO 0.01 0.09 -0.18 0.78 0.02 0.00 0.00 177.57 178.29 1hbm h ASN 42 N 0.49 0.89 -0.75 0.57 -0.26 -1.28 -2.42 115.58 112.82 1hbm h ASN 42 Ca 0.24 -0.39 -0.05 0.00 -0.56 0.00 0.00 56.30 55.54 1hbm h ASN 42 Cb 0.17 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 1hbm h ASN 42 CO -0.18 1.09 0.29 0.00 -1.06 0.00 0.00 177.43 177.56 1hbm h ALA 43 N 0.83 0.98 -0.97 -0.83 0.00 -0.91 -2.28 119.26 116.09 1hbm h ALA 43 Ca 0.10 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 43 Cb 0.74 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1hbm h ALA 43 CO 0.06 0.61 0.63 0.78 0.00 0.00 0.00 179.25 181.33 1hbm h GLY 44 N 1.09 1.44 0.92 0.00 0.00 -0.67 0.84 103.07 106.69 1hbm h GLY 44 Ca 0.25 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1hbm h GLY 44 CO -0.02 0.34 0.12 0.50 0.00 0.00 0.00 176.54 177.49 1hbm h LYS 45 N 1.14 0.50 -0.53 4.80 1.57 -0.96 -1.84 116.57 121.25 1hbm h LYS 45 Ca 0.41 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 59.04 1hbm h LYS 45 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1hbm h LYS 45 CO -0.15 0.51 0.13 0.93 -0.57 0.00 0.00 179.45 180.29 1hbm h GLU 46 N 0.39 0.85 0.05 3.15 5.08 -0.92 -1.93 114.58 121.24 1hbm h GLU 46 Ca 0.11 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1hbm h GLU 46 Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1hbm h GLU 46 CO -0.01 0.81 -0.02 0.28 -1.00 0.00 0.00 179.01 179.06 1hbm h VAL 47 N 0.74 1.04 -0.97 3.13 2.07 -0.75 -1.70 116.25 119.81 1hbm h VAL 47 Ca 0.17 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1hbm h VAL 47 Cb 0.34 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1hbm h VAL 47 CO 0.00 0.07 0.64 0.00 0.02 0.00 0.00 177.57 178.31 1hbm h ALA 48 N 0.75 1.33 -0.35 1.67 0.00 -1.34 -2.26 119.26 119.07 1hbm h ALA 48 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1hbm h ALA 48 Cb 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1hbm h ALA 48 CO 0.01 0.61 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 1hbm h ALA 49 N 1.41 1.08 0.01 0.00 0.00 -1.17 -0.42 119.26 120.17 1hbm h ALA 49 Ca 0.37 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1hbm h ALA 49 Cb -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1hbm h ALA 49 CO -0.09 0.56 -0.94 -0.22 0.00 0.00 0.00 179.25 178.57 1hbm h LYS 50 N 0.57 0.30 0.00 0.00 3.64 -0.83 -3.35 116.57 116.90 1hbm h LYS 50 Ca 0.10 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1hbm h LYS 50 Cb 0.59 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1hbm h LYS 50 CO 0.04 1.04 -1.73 2.89 -2.27 0.00 0.00 179.45 179.43 1hbm n ARG 51 N -3.68 0.48 -1.05 1.90 1.85 -0.89 -4.99 116.66 110.27 1hbm n ARG 51 Ca -0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 1hbm n ARG 51 Cb 0.84 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.73 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 1.32 0.43 2.78 2.89 0.00 -0.17 -5.05 105.19 107.39 1hbm n GLY 52 Ca -0.02 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 0.07 0.51 -0.61 1.01 -1.19 -5.06 121.20 113.92 1hbm s ILE 53 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1hbm s ILE 53 Cb 0.00 -0.20 -0.08 0.00 0.01 0.00 0.00 42.46 42.19 1hbm s ILE 53 CO 0.00 0.13 0.86 -2.65 0.00 0.00 0.00 174.94 173.28 1hbm n PRO 54 N 4.33 0.97 0.00 2.79 -0.02 -1.26 -4.24 135.00 137.56 1hbm n PRO 54 Ca -0.24 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1hbm n PRO 54 Cb 0.50 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -0.25 0.00 -1.99 -0.52 7.27 -1.26 -4.96 117.38 115.68 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 0.44 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.06 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 3.03 -0.24 3.69 6.14 -1.26 -4.98 117.35 126.87 1hbm s TYR 56 Ca 0.00 0.91 -0.04 0.00 0.64 0.00 0.00 57.07 58.58 1hbm s TYR 56 Cb 0.00 -3.85 0.13 0.00 0.42 0.00 0.00 41.96 38.66 1hbm s TYR 56 CO 0.00 -2.88 0.45 1.21 0.64 0.00 0.00 175.55 174.97 1hbm s ASN 57 N 0.59 -0.33 0.56 4.32 3.84 -1.26 -4.52 114.94 118.15 1hbm s ASN 57 Ca 0.62 0.70 0.34 0.00 0.21 0.00 0.00 52.86 54.73 1hbm s ASN 57 Cb -0.42 1.48 1.53 0.00 -0.55 0.00 0.00 41.25 43.29 1hbm s ASN 57 CO 0.40 -0.26 2.05 1.55 -2.79 0.00 0.00 177.10 178.05 1hbm h PRO 58 N 8.13 0.00 -0.01 0.43 0.13 -1.96 -2.57 132.00 136.16 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 0.21 0.04 -0.08 -0.25 -0.23 0.00 0.00 178.00 177.68 1hbm n ASP 59 N -3.18 0.71 -4.74 1.44 8.00 -1.26 -4.78 116.55 112.74 1hbm n ASP 59 Ca -0.00 -0.91 -0.41 0.00 0.71 0.00 0.00 54.79 54.17 1hbm n ASP 59 Cb 0.27 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.28 3.29 0.00 0.53 -1.09 -0.97 -4.84 121.20 115.83 1hbm s ILE 60 Ca 0.34 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 1hbm s ILE 60 Cb 0.20 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1hbm s ILE 60 CO 0.43 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 1hbm n GLY 61 N 2.21 1.32 3.92 6.18 0.00 -1.26 -4.82 105.19 112.74 1hbm n GLY 61 Ca 0.05 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 5.08 -0.56 2.61 -4.23 -1.26 -5.03 115.64 112.25 1hbm s THR 62 Ca 0.00 -0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1hbm s THR 62 Cb 0.00 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.11 1hbm s THR 62 CO 0.00 -0.44 0.74 -2.16 -0.54 0.00 0.00 174.62 172.22 1hbm s PRO 63 N -3.94 3.13 0.62 3.99 0.04 -1.26 -4.96 135.00 132.62 1hbm s PRO 63 Ca 0.42 -0.90 -0.18 0.00 0.04 0.00 0.00 61.00 60.37 1hbm s PRO 63 Cb -0.10 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1hbm s PRO 63 CO 0.33 -1.43 0.97 1.28 0.04 0.00 0.00 177.00 178.19 1hbm n LEU 64 N 6.62 3.78 -0.11 -3.56 4.77 -1.26 -4.00 117.00 123.24 1hbm n LEU 64 Ca -0.06 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1hbm n LEU 64 Cb 0.45 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1hbm n LEU 64 CO 0.58 -1.89 0.00 0.61 -1.33 0.00 0.00 177.39 175.36 1hbm n GLY 65 N 1.28 0.94 0.22 -0.72 0.00 -1.26 -2.94 105.19 102.71 1hbm n GLY 65 Ca 0.14 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.87 1.61 1.08 -1.88 -3.20 115.11 106.85 1hbm h GLN 66 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1hbm h GLN 66 Cb 0.66 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.03 1hbm h GLN 66 CO 0.00 0.10 -0.35 -0.98 -0.95 0.00 0.00 178.83 176.65 1hbm s ARG 67 N -3.32 2.27 0.01 1.46 1.70 -1.26 -1.20 118.95 118.61 1hbm s ARG 67 Ca 0.05 -2.00 -0.30 0.00 -0.47 0.00 0.00 55.73 53.00 1hbm s ARG 67 Cb 0.07 -2.05 -0.07 0.00 -0.57 0.00 0.00 34.95 32.33 1hbm s ARG 67 CO 0.65 -0.50 1.57 0.08 -1.08 0.00 0.00 175.30 176.02 1hbm s VAL 68 N -2.74 3.41 -0.45 4.99 1.01 -1.26 -4.97 120.40 120.38 1hbm s VAL 68 Ca 0.33 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1hbm s VAL 68 Cb -0.01 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1hbm s VAL 68 CO 0.20 -0.02 1.14 -0.76 0.00 0.00 0.00 175.10 175.66 1hbm s LEU 69 N 2.96 3.67 0.23 3.92 1.43 -1.26 -5.01 118.68 124.62 1hbm s LEU 69 Ca 0.70 0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 1hbm s LEU 69 Cb -0.35 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 1hbm s LEU 69 CO 0.29 -1.21 0.71 -0.04 0.23 0.00 0.00 176.35 176.33 1hbm s MET 70 N 4.37 4.20 0.56 1.70 -1.94 -1.26 -5.02 119.30 121.90 1hbm s MET 70 Ca 0.48 0.81 -0.17 0.00 -1.71 0.00 0.00 55.69 55.10 1hbm s MET 70 Cb -0.08 -2.82 -0.05 0.00 2.01 0.00 0.00 34.83 33.88 1hbm s MET 70 CO 0.30 0.37 1.05 -1.25 -0.01 0.00 0.00 175.02 175.47 1hbm s PRO 71 N -2.11 3.51 -0.07 2.03 0.04 -1.26 -4.14 135.00 133.00 1hbm s PRO 71 Ca 0.44 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1hbm s PRO 71 Cb -0.16 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1hbm s PRO 71 CO 0.20 -0.66 -0.20 0.71 0.04 0.00 0.00 177.00 177.10 1hbm s TYR 72 N -2.34 2.10 -0.05 0.56 1.51 0.22 -4.86 117.35 114.48 1hbm s TYR 72 Ca 0.64 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 1hbm s TYR 72 Cb -0.15 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1hbm s TYR 72 CO 0.32 -0.28 1.12 -1.14 -1.11 0.00 0.00 175.55 174.46 1hbm s GLN 73 N 0.21 4.41 -0.09 -0.62 0.74 -1.26 -1.28 119.66 121.76 1hbm s GLN 73 Ca -0.11 1.58 -0.30 0.00 0.05 0.00 0.00 55.36 56.59 1hbm s GLN 73 Cb -0.15 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1hbm s GLN 73 CO 0.05 -0.34 1.30 0.08 -0.55 0.00 0.00 175.29 175.83 1hbm s VAL 74 N 1.86 4.11 0.42 1.34 1.01 -0.56 -0.41 120.40 128.16 1hbm s VAL 74 Ca 0.54 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 63.66 1hbm s VAL 74 Cb -0.23 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1hbm s VAL 74 CO 0.23 -0.06 1.37 -1.20 0.00 0.00 0.00 175.10 175.43 1hbm n SER 75 N 5.99 3.06 0.00 3.32 7.64 -0.38 -1.58 113.62 131.67 1hbm n SER 75 Ca 0.13 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1hbm n SER 75 Cb 0.45 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 -0.04 0.00 -4.41 0.44 -2.24 -1.26 -4.80 114.28 101.96 1hbm n THR 76 Ca 0.05 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.55 1hbm n THR 76 Cb 0.40 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.98 1.81 -0.29 4.28 -4.23 -0.62 -5.02 115.64 108.59 1hbm s THR 77 Ca 0.00 -1.84 0.11 0.00 -1.18 0.00 0.00 61.69 58.78 1hbm s THR 77 Cb 0.00 -2.65 0.62 0.00 1.34 0.00 0.00 72.50 71.81 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 -1.24 3.84 -4.69 3.99 10.43 -1.26 -4.74 116.55 122.88 1hbm n ASP 78 Ca -0.07 -3.37 -0.37 0.00 2.57 0.00 0.00 54.79 53.55 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 -3.06 5.30 -0.17 -3.53 2.01 -1.26 -5.02 115.64 109.91 1hbm s THR 79 Ca 0.49 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.91 1hbm s THR 79 Cb 0.41 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1hbm s THR 79 CO 0.08 0.33 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.94 1hbm s TYR 80 N 0.94 2.88 0.03 4.92 1.51 -1.26 -1.50 117.35 124.88 1hbm s TYR 80 Ca 0.13 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1hbm s TYR 80 Cb -0.14 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1hbm s TYR 80 CO 0.05 -0.34 -0.02 0.14 -1.11 0.00 0.00 175.55 174.26 1hbm s VAL 81 N 0.79 0.14 0.67 0.71 -7.23 -0.40 -4.89 120.40 110.19 1hbm s VAL 81 Ca -0.04 -1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 58.77 1hbm s VAL 81 Cb -0.15 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.11 1hbm s VAL 81 CO 0.01 -0.66 1.21 -1.61 -0.31 0.00 0.00 175.10 173.74 1hbm s GLU 82 N -2.28 2.50 0.53 4.82 2.02 -1.26 -0.61 118.70 124.41 1hbm s GLU 82 Ca -0.08 1.78 0.19 0.00 0.02 0.00 0.00 54.97 56.88 1hbm s GLU 82 Cb -0.04 -1.87 1.33 0.00 0.10 0.00 0.00 34.13 33.64 1hbm s GLU 82 CO -0.04 -1.56 2.12 0.78 0.02 0.00 0.00 175.26 176.59 1hbm h GLY 83 N 0.20 0.00 1.88 -1.39 0.00 -1.95 -2.28 103.07 99.53 1hbm h GLY 83 Ca -0.49 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1hbm h GLY 83 CO 0.52 0.00 0.05 -0.55 0.00 0.00 0.00 176.54 176.56 1hbm h ASP 84 N 0.00 0.00 0.83 0.19 5.19 -1.95 -1.45 116.42 119.23 1hbm h ASP 84 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1hbm h ASP 84 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1hbm h ASP 84 CO -0.00 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.59 1hbm n ASP 85 N -4.23 0.00 -0.79 6.45 8.00 -0.86 -2.15 116.55 122.96 1hbm n ASP 85 Ca -0.02 0.40 0.09 0.00 0.71 0.00 0.00 54.79 55.97 1hbm n ASP 85 Cb 0.14 -0.46 0.10 0.00 -0.02 0.00 0.00 41.12 40.89 1hbm n ASP 85 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1hbm n LEU 86 N -1.46 2.70 -4.76 0.64 4.77 -0.55 -4.08 117.00 114.26 1hbm n LEU 86 Ca 0.07 -1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 54.49 1hbm n LEU 86 Cb 0.29 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1hbm n LEU 86 CO 0.24 0.51 0.97 -2.28 -1.33 0.00 0.00 177.39 175.50 1hbm s HIS 87 N -1.47 3.17 0.48 -1.77 2.46 -0.91 -4.93 115.29 112.32 1hbm s HIS 87 Ca 0.24 1.35 0.21 0.00 0.47 0.00 0.00 55.06 57.34 1hbm s HIS 87 Cb 0.16 -3.63 1.34 0.00 -0.13 0.00 0.00 32.58 30.33 1hbm s HIS 87 CO 0.24 -1.80 2.09 0.27 -2.47 0.00 0.00 174.74 173.07 1hbm h PHE 88 N 4.16 0.00 -0.29 3.88 -5.15 -1.90 -1.52 116.94 116.13 1hbm h PHE 88 Ca -0.47 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.20 1hbm h PHE 88 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.38 1hbm h PHE 88 CO 0.58 0.10 -0.24 0.28 -2.00 0.00 0.00 178.31 177.04 1hbm h VAL 89 N 0.00 1.27 -0.53 0.88 2.07 -1.94 -3.06 116.25 114.95 1hbm h VAL 89 Ca -0.00 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1hbm h VAL 89 Cb 0.21 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1hbm h VAL 89 CO 0.01 0.41 0.00 0.59 0.02 0.00 0.00 177.57 178.60 1hbm n ASN 90 N -4.12 2.88 -3.72 0.57 3.02 -0.59 -4.82 115.26 108.48 1hbm n ASN 90 Ca -0.00 -2.02 -0.29 0.00 -0.03 0.00 0.00 54.58 52.24 1hbm n ASN 90 Cb 0.41 -0.36 -0.16 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.98 3.54 0.39 6.41 3.84 -1.10 -4.84 114.94 122.20 1hbm s ASN 91 Ca 0.35 -1.27 0.19 0.00 0.21 0.00 0.00 52.86 52.35 1hbm s ASN 91 Cb 0.19 -0.71 0.76 0.00 -0.55 0.00 0.00 41.25 40.94 1hbm s ASN 91 CO 0.24 -0.37 1.77 0.00 -2.79 0.00 0.00 177.10 175.95 1hbm h ALA 92 N 8.18 1.05 -0.30 1.71 0.00 -1.83 -2.44 119.26 125.63 1hbm h ALA 92 Ca -0.16 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1hbm h ALA 92 Cb 1.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1hbm h ALA 92 CO 0.41 0.43 0.16 0.00 0.00 0.00 0.00 179.25 180.26 1hbm h ALA 93 N 1.66 0.37 -0.43 0.00 0.00 -1.86 -0.31 119.26 118.68 1hbm h ALA 93 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hbm h ALA 93 Cb 0.82 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1hbm h ALA 93 CO 0.04 -0.21 0.17 0.52 0.00 0.00 0.00 179.25 179.78 1hbm h MET 94 N 0.34 0.65 -0.38 0.00 2.86 -1.78 0.45 114.93 117.06 1hbm h MET 94 Ca 0.12 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1hbm h MET 94 Cb 0.01 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1hbm h MET 94 CO -0.06 0.60 0.20 1.96 1.06 0.00 0.00 176.91 180.67 1hbm h GLN 95 N 0.55 0.53 -0.21 1.72 4.20 -1.45 -2.76 115.11 117.70 1hbm h GLN 95 Ca 0.14 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1hbm h GLN 95 Cb 0.19 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1hbm h GLN 95 CO -0.01 0.44 -0.23 0.37 -0.67 0.00 0.00 178.83 178.73 1hbm h GLN 96 N 0.48 0.38 -0.48 1.46 5.75 -0.83 -1.38 115.11 120.50 1hbm h GLN 96 Ca 0.13 -0.13 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1hbm h GLN 96 Cb 0.07 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 1hbm h GLN 96 CO -0.02 0.59 0.17 1.98 -2.65 0.00 0.00 178.83 178.90 1hbm h MET 97 N 0.34 0.33 -0.32 1.69 4.05 -0.69 0.07 114.93 120.41 1hbm h MET 97 Ca 0.06 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.34 1hbm h MET 97 Cb 0.60 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1hbm h MET 97 CO 0.04 0.22 -0.27 2.35 0.23 0.00 0.00 176.91 179.48 1hbm h TRP 98 N 0.34 0.89 -0.91 1.39 -0.00 -1.19 -2.97 115.95 113.49 1hbm h TRP 98 Ca 0.23 -0.26 0.05 0.00 -0.00 0.00 0.00 58.89 58.91 1hbm h TRP 98 Cb 0.24 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.16 29.15 1hbm h TRP 98 CO -0.16 1.01 0.58 -0.44 -0.00 0.00 0.00 178.44 179.43 1hbm h ASP 99 N 0.51 0.94 0.02 2.65 3.32 -0.97 0.83 116.42 123.73 1hbm h ASP 99 Ca 0.06 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1hbm h ASP 99 Cb 0.84 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1hbm h ASP 99 CO 0.07 0.62 -0.21 0.44 -1.72 0.00 0.00 179.24 178.45 1hbm h ASP 100 N 1.09 0.32 -0.01 6.45 5.19 -0.93 -0.28 116.42 128.26 1hbm h ASP 100 Ca 0.38 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.60 1hbm h ASP 100 Cb 0.09 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1hbm h ASP 100 CO -0.15 0.55 -0.38 0.40 -3.12 0.00 0.00 179.24 176.54 1hbm h ILE 101 N 0.30 1.49 -0.31 0.35 2.04 -1.27 -3.28 117.51 116.83 1hbm h ILE 101 Ca 0.05 -1.96 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 1hbm h ILE 101 Cb 0.54 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1hbm h ILE 101 CO 0.04 0.55 0.02 -0.09 0.00 0.00 0.00 178.15 178.67 1hbm h ARG 102 N -0.32 0.46 -0.35 2.37 2.43 -0.56 -2.54 114.38 115.89 1hbm h ARG 102 Ca -0.04 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1hbm h ARG 102 Cb 1.10 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1hbm h ARG 102 CO 0.08 0.48 0.00 2.89 -1.51 0.00 0.00 179.97 181.90 1hbm n ARG 103 N -4.32 2.09 -3.86 0.20 1.85 -0.14 -4.73 116.66 107.76 1hbm n ARG 103 Ca 0.01 -1.67 -0.37 0.00 -1.00 0.00 0.00 57.85 54.83 1hbm n ARG 103 Cb 0.22 -1.42 -0.06 0.00 -1.05 0.00 0.00 32.46 30.14 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 -1.54 5.49 0.02 8.89 2.01 -0.96 -1.22 115.64 128.34 1hbm s THR 104 Ca 0.34 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1hbm s THR 104 Cb 0.19 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1hbm s THR 104 CO 0.26 0.59 -0.04 0.68 -0.69 0.00 0.00 174.62 175.43 1hbm s VAL 105 N -0.82 0.18 -0.18 3.82 -7.23 -0.49 -4.47 120.40 111.20 1hbm s VAL 105 Ca 0.14 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1hbm s VAL 105 Cb -0.12 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 1hbm s VAL 105 CO 0.03 -0.41 0.03 -0.63 -0.31 0.00 0.00 175.10 173.80 1hbm s ILE 106 N -1.27 4.42 -0.10 -0.62 1.01 -1.02 -1.35 121.20 122.26 1hbm s ILE 106 Ca -0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1hbm s ILE 106 Cb -0.09 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.44 1hbm s ILE 106 CO -0.01 0.46 0.03 -0.69 0.00 0.00 0.00 174.94 174.73 1hbm s VAL 107 N 0.50 0.30 0.93 2.92 1.01 0.39 -0.41 120.40 126.04 1hbm s VAL 107 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1hbm s VAL 107 Cb -0.13 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.79 1hbm s VAL 107 CO 0.02 0.09 1.06 0.61 0.00 0.00 0.00 175.10 176.88 1hbm n GLY 108 N 5.16 -0.62 0.11 4.51 0.00 0.62 -0.56 105.19 114.41 1hbm n GLY 108 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.22 1hbm n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hbm n LEU 109 N -3.95 1.76 -0.02 0.99 4.77 -0.52 -4.75 117.00 115.28 1hbm n LEU 109 Ca 0.11 -1.58 -0.13 0.00 -0.03 0.00 0.00 56.01 54.38 1hbm n LEU 109 Cb 0.52 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1hbm n LEU 109 CO 0.49 0.43 0.60 0.78 -1.33 0.00 0.00 177.39 178.37 1hbm h ASN 110 N 0.41 -0.00 -0.56 -1.43 2.35 -1.93 0.44 115.58 114.85 1hbm h ASN 110 Ca 0.00 -0.55 -0.09 0.00 -0.55 0.00 0.00 56.30 55.12 1hbm h ASN 110 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1hbm h ASN 110 CO 0.00 0.55 0.01 0.45 -1.65 0.00 0.00 177.43 176.79 1hbm h HIS 111 N -0.55 1.07 -0.45 1.19 3.86 -1.96 -2.57 115.15 115.74 1hbm h HIS 111 Ca -0.00 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.05 1hbm h HIS 111 Cb 0.55 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1hbm h HIS 111 CO 0.12 0.96 0.26 0.00 0.86 0.00 0.00 177.93 180.13 1hbm h ALA 112 N 0.97 0.57 -0.47 2.45 0.00 -1.84 -0.45 119.26 120.49 1hbm h ALA 112 Ca 0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1hbm h ALA 112 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1hbm h ALA 112 CO 0.03 -0.06 -0.02 0.45 0.00 0.00 0.00 179.25 179.65 1hbm h HIS 113 N 0.52 0.84 -0.56 0.00 -0.00 -0.88 -1.99 115.15 113.09 1hbm h HIS 113 Ca 0.18 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1hbm h HIS 113 Cb 0.03 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1hbm h HIS 113 CO -0.07 0.79 0.21 0.00 -0.00 0.00 0.00 177.93 178.85 1hbm h ALA 114 N 1.25 1.32 0.04 2.45 0.00 -1.00 -1.60 119.26 121.71 1hbm h ALA 114 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hbm h ALA 114 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hbm h ALA 114 CO 0.02 0.50 -0.02 0.28 0.00 0.00 0.00 179.25 180.03 1hbm h VAL 115 N 0.80 0.95 -0.13 0.00 2.07 -0.63 0.11 116.25 119.41 1hbm h VAL 115 Ca 0.19 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.74 1hbm h VAL 115 Cb 0.18 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1hbm h VAL 115 CO -0.02 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 177.92 1hbm h ILE 116 N -0.06 0.82 -0.14 4.57 2.04 -1.13 -0.51 117.51 123.09 1hbm h ILE 116 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1hbm h ILE 116 Cb 0.05 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1hbm h ILE 116 CO 0.00 0.00 -0.14 -0.33 0.00 0.00 0.00 178.15 177.68 1hbm h GLU 117 N -0.03 0.35 0.04 2.37 5.08 -1.24 -1.42 114.58 119.73 1hbm h GLU 117 Ca 0.07 -0.18 -0.31 0.00 -1.00 0.00 0.00 59.36 57.94 1hbm h GLU 117 Cb 0.14 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1hbm h GLU 117 CO -0.16 0.73 -1.74 0.87 -1.00 0.00 0.00 179.01 177.71 1hbm h LYS 118 N -0.03 0.09 0.00 2.33 1.57 -1.00 -3.11 116.57 116.42 1hbm h LYS 118 Ca 0.02 -0.15 -0.38 0.00 -1.87 0.00 0.00 60.65 58.27 1hbm h LYS 118 Cb 0.67 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 1hbm h LYS 118 CO 0.04 0.75 -2.40 -2.13 -0.57 0.00 0.00 179.45 175.14 1hbm n ARG 119 N -3.20 0.59 0.11 3.15 0.63 -0.27 -4.45 116.66 113.22 1hbm n ARG 119 Ca -0.20 0.16 0.12 0.00 -0.92 0.00 0.00 57.85 57.01 1hbm n ARG 119 Cb 1.05 -1.47 0.12 0.00 0.45 0.00 0.00 32.46 32.61 1hbm n ARG 119 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1hbm h LEU 120 N -0.21 0.00 -0.17 6.15 3.38 -1.07 -3.49 115.31 119.92 1hbm h LEU 120 Ca -0.57 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.09 1hbm h LEU 120 Cb 1.78 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.59 1hbm h LEU 120 CO -0.15 0.04 -0.38 0.61 0.09 0.00 0.00 178.44 178.64 1hbm n GLY 121 N 1.23 0.01 3.50 0.83 0.00 -0.62 -5.00 105.19 105.15 1hbm n GLY 121 Ca 0.02 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.46 1.79 0.19 1.61 1.02 -0.71 -4.98 119.74 113.20 1hbm s LYS 122 Ca 0.25 -1.68 -0.17 0.00 0.02 0.00 0.00 55.97 54.39 1hbm s LYS 122 Cb -0.11 -1.85 -0.08 0.00 -0.52 0.00 0.00 37.83 35.27 1hbm s LYS 122 CO 0.31 0.34 0.65 -1.83 -0.92 0.00 0.00 175.35 173.90 1hbm s GLU 123 N -3.47 4.13 -0.15 1.68 -1.05 -1.26 -3.43 118.70 115.14 1hbm s GLU 123 Ca 0.30 0.70 -0.00 0.00 -0.15 0.00 0.00 54.97 55.81 1hbm s GLU 123 Cb -0.06 -2.89 -0.01 0.00 -0.44 0.00 0.00 34.13 30.73 1hbm s GLU 123 CO 0.16 0.43 -0.13 0.08 0.95 0.00 0.00 175.26 176.74 1hbm s VAL 124 N -1.50 2.91 0.27 1.83 1.01 -1.26 -4.97 120.40 118.69 1hbm s VAL 124 Ca 0.41 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1hbm s VAL 124 Cb -0.16 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1hbm s VAL 124 CO 0.20 0.51 0.16 0.42 0.00 0.00 0.00 175.10 176.39 1hbm s THR 125 N 0.72 0.22 0.27 3.92 -4.23 -1.26 -5.01 115.64 110.27 1hbm s THR 125 Ca -0.06 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1hbm s THR 125 Cb -0.15 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.42 1hbm s THR 125 CO 0.02 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.26 1hbm h PRO 126 N 2.34 0.86 -0.62 3.99 0.11 -1.94 -1.43 132.00 135.31 1hbm h PRO 126 Ca -0.34 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1hbm h PRO 126 Cb 1.25 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1hbm h PRO 126 CO 0.51 0.57 0.17 1.49 -0.21 0.00 0.00 178.00 180.54 1hbm h GLU 127 N 0.89 0.98 -0.42 1.05 4.81 -1.97 -1.21 114.58 118.71 1hbm h GLU 127 Ca 0.47 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1hbm h GLU 127 Cb 0.48 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1hbm h GLU 127 CO -0.27 0.88 -0.03 1.79 -0.73 0.00 0.00 179.01 180.65 1hbm h THR 128 N 0.90 1.23 -0.53 0.32 1.35 -1.79 -1.70 112.91 112.70 1hbm h THR 128 Ca 0.20 -0.98 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 1hbm h THR 128 Cb 0.32 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 1hbm h THR 128 CO -0.00 0.34 0.16 0.40 -0.25 0.00 0.00 175.52 176.17 1hbm h ILE 129 N 0.65 1.23 -0.89 6.82 2.04 -1.08 -0.93 117.51 125.35 1hbm h ILE 129 Ca 0.13 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.21 1hbm h ILE 129 Cb 0.44 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1hbm h ILE 129 CO 0.02 0.29 0.58 0.74 0.00 0.00 0.00 178.15 179.79 1hbm h THR 130 N 0.73 1.20 -0.61 -0.27 2.02 -1.00 0.47 112.91 115.45 1hbm h THR 130 Ca 0.17 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1hbm h THR 130 Cb 0.28 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1hbm h THR 130 CO -0.00 0.21 0.11 -0.74 0.37 0.00 0.00 175.52 175.47 1hbm h HIS 131 N 1.17 1.07 -0.68 3.16 -0.00 -0.98 -1.05 115.15 117.85 1hbm h HIS 131 Ca 0.33 -0.15 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1hbm h HIS 131 Cb -0.09 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 26.99 1hbm h HIS 131 CO -0.01 0.92 0.45 -0.92 -0.00 0.00 0.00 177.93 178.36 1hbm h TYR 132 N 0.92 0.85 -0.17 5.26 3.20 -0.82 -2.15 116.97 124.05 1hbm h TYR 132 Ca 0.19 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 1hbm h TYR 132 Cb 0.41 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1hbm h TYR 132 CO 0.03 0.53 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.60 1hbm h LEU 133 N 0.91 0.41 -0.68 2.82 3.38 -0.49 -0.68 115.31 120.97 1hbm h LEU 133 Ca 0.25 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1hbm h LEU 133 Cb -0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1hbm h LEU 133 CO -0.06 0.77 0.17 -0.08 0.09 0.00 0.00 178.44 179.34 1hbm h GLU 134 N 0.32 1.09 0.20 1.13 4.81 -1.07 -1.73 114.58 119.33 1hbm h GLU 134 Ca 0.03 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1hbm h GLU 134 Cb 0.86 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1hbm h GLU 134 CO 0.07 0.97 -0.10 1.15 -0.73 0.00 0.00 179.01 180.37 1hbm h THR 135 N 1.02 0.84 0.00 0.32 2.02 -1.11 -2.81 112.91 113.19 1hbm h THR 135 Ca 0.22 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1hbm h THR 135 Cb 0.36 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1hbm h THR 135 CO 0.00 0.04 -0.16 1.62 0.37 0.00 0.00 175.52 177.39 1hbm h VAL 136 N -0.36 0.48 0.00 3.16 3.04 -1.06 -1.51 116.25 120.00 1hbm h VAL 136 Ca -0.03 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1hbm h VAL 136 Cb 0.28 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1hbm h VAL 136 CO 0.04 0.16 0.00 0.78 -1.01 0.00 0.00 177.57 177.54 1hbm h ASN 137 N 0.00 0.00 -0.06 3.17 2.35 -1.25 0.25 115.58 120.05 1hbm h ASN 137 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1hbm h ASN 137 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1hbm h ASN 137 CO 0.02 0.00 -0.34 -0.74 -1.65 0.00 0.00 177.43 174.72 1hbm h HIS 138 N 0.00 0.46 0.01 1.19 2.76 -1.13 -3.40 115.15 115.04 1hbm h HIS 138 Ca 0.00 -0.21 -0.27 0.00 -2.20 0.00 0.00 60.37 57.69 1hbm h HIS 138 Cb 0.91 -0.07 0.02 0.00 1.55 0.00 0.00 27.41 29.82 1hbm h HIS 138 CO 0.00 0.96 -1.06 0.00 -1.30 0.00 0.00 177.93 176.52 1hbm h ALA 139 N 0.41 0.12 -0.90 5.26 0.00 -1.11 -3.32 119.26 119.72 1hbm h ALA 139 Ca -0.03 -0.70 0.08 0.00 0.00 0.00 0.00 54.91 54.26 1hbm h ALA 139 Cb 1.00 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1hbm h ALA 139 CO 0.07 0.69 0.56 1.98 0.00 0.00 0.00 179.25 182.55 1hbm h MET 140 N 0.39 0.96 0.00 0.00 -1.53 -0.71 -0.50 114.93 113.54 1hbm h MET 140 Ca -0.14 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.07 1hbm h MET 140 Cb 1.72 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 32.55 1hbm h MET 140 CO 0.21 0.63 0.00 -2.30 0.14 0.00 0.00 176.91 175.59 1hbm n PRO 141 N -4.62 0.18 0.00 0.39 -0.02 -1.26 -4.79 135.00 124.88 1hbm n PRO 141 Ca 0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1hbm n PRO 141 Cb 0.22 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 -0.56 0.80 3.32 -1.23 0.00 -0.23 -4.76 105.19 102.54 1hbm n GLY 142 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.24 1.83 0.23 4.61 0.00 -1.00 -1.98 121.76 124.22 1hbm s ALA 143 Ca 0.00 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 1hbm s ALA 143 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1hbm s ALA 143 CO 0.00 -0.10 0.42 0.00 0.00 0.00 0.00 175.76 176.08 1hbm s ALA 144 N -3.22 3.81 0.00 0.00 0.00 -1.26 -4.35 121.76 116.73 1hbm s ALA 144 Ca 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1hbm s ALA 144 Cb 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1hbm s ALA 144 CO 0.06 0.34 0.00 1.33 0.00 0.00 0.00 175.76 177.50 1hbm n VAL 145 N -0.89 0.00 0.04 0.00 0.24 -1.26 -4.94 118.33 111.52 1hbm n VAL 145 Ca -0.05 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1hbm n VAL 145 Cb 0.54 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 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 -0.52 0.85 -2.25 3.34 0.31 -1.26 -5.01 118.33 113.80 1hbm n VAL 146 Ca 0.00 0.28 -0.32 0.00 -0.01 0.00 0.00 64.34 64.29 1hbm n VAL 146 Cb 0.00 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 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 -2.00 3.81 0.49 5.55 -0.21 -1.26 -5.07 119.66 120.96 1hbm s GLN 147 Ca 0.00 0.94 -0.18 0.00 0.02 0.00 0.00 55.36 56.14 1hbm s GLN 147 Cb 0.00 -2.11 -0.09 0.00 1.00 0.00 0.00 33.01 31.81 1hbm s GLN 147 CO 0.00 -0.39 0.98 -2.00 -2.12 0.00 0.00 175.29 171.76 1hbm s GLU 148 N -4.28 4.01 -1.44 2.91 2.56 -1.26 -4.27 118.70 116.92 1hbm s GLU 148 Ca 0.59 1.04 -0.11 0.00 0.00 0.00 0.00 54.97 56.48 1hbm s GLU 148 Cb -0.11 -2.14 0.04 0.00 2.00 0.00 0.00 34.13 33.92 1hbm s GLU 148 CO 0.36 -0.22 1.10 1.58 -0.56 0.00 0.00 175.26 177.52 1hbm n HIS 149 N -1.26 -2.62 -2.89 5.30 -0.00 -1.26 -5.00 115.22 107.49 1hbm n HIS 149 Ca 0.07 0.97 -0.37 0.00 0.46 0.00 0.00 57.72 58.85 1hbm n HIS 149 Cb 0.54 -4.56 -0.06 0.00 -0.12 0.00 0.00 29.99 25.79 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 -6.45 4.49 -0.01 1.57 -1.94 -1.26 -5.09 119.30 110.61 1hbm s MET 150 Ca 0.62 1.18 0.04 0.00 -1.71 0.00 0.00 55.69 55.82 1hbm s MET 150 Cb -0.29 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.66 1hbm s MET 150 CO 0.78 0.34 -0.10 0.14 -0.01 0.00 0.00 175.02 176.16 1hbm s VAL 151 N -1.55 3.40 0.17 -6.03 -7.23 -1.26 -5.03 120.40 102.86 1hbm s VAL 151 Ca 0.47 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 1hbm s VAL 151 Cb -0.18 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1hbm s VAL 151 CO 0.23 0.45 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.82 1hbm s GLU 152 N -1.21 1.11 0.50 4.82 2.02 -1.26 -4.98 118.70 119.69 1hbm s GLU 152 Ca 0.15 -1.51 -0.21 0.00 0.02 0.00 0.00 54.97 53.41 1hbm s GLU 152 Cb -0.11 -0.45 -0.07 0.00 0.10 0.00 0.00 34.13 33.60 1hbm s GLU 152 CO 0.05 -0.04 1.12 0.95 0.02 0.00 0.00 175.26 177.36 1hbm s THR 153 N -3.49 3.28 -0.18 3.63 -4.23 -0.84 -4.98 115.64 108.83 1hbm s THR 153 Ca 0.21 0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 61.30 1hbm s THR 153 Cb 0.05 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1hbm s THR 153 CO 0.03 -0.11 1.64 -2.28 -0.54 0.00 0.00 174.62 173.36 1hbm s HIS 154 N -1.72 2.05 0.54 3.99 2.46 -1.26 -4.89 115.29 116.46 1hbm s HIS 154 Ca 0.68 0.47 0.28 0.00 0.47 0.00 0.00 55.06 56.96 1hbm s HIS 154 Cb -0.24 -3.96 1.44 0.00 -0.13 0.00 0.00 32.58 29.69 1hbm s HIS 154 CO 0.28 -3.17 1.95 -1.35 -2.47 0.00 0.00 174.74 169.99 1hbm h PRO 155 N 10.56 0.00 0.00 2.88 0.11 -1.95 0.60 132.00 144.20 1hbm h PRO 155 Ca -0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 1hbm h PRO 155 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1hbm h PRO 155 CO 0.99 0.00 -0.23 0.00 -0.21 0.00 0.00 178.00 178.55 1hbm h ALA 156 N 1.65 0.89 0.00 -0.75 0.00 -2.00 -2.81 119.26 116.24 1hbm h ALA 156 Ca 0.30 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1hbm h ALA 156 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1hbm h ALA 156 CO -0.00 0.28 -0.39 -0.07 0.00 0.00 0.00 179.25 179.07 1hbm h LEU 157 N 0.00 0.00 -3.25 0.00 3.38 -1.25 -3.30 115.31 110.89 1hbm h LEU 157 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1hbm h LEU 157 Cb 1.02 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.67 1hbm h LEU 157 CO 0.03 0.39 -0.35 1.33 0.09 0.00 0.00 178.44 179.93 1hbm n VAL 158 N -3.27 2.42 0.31 1.22 0.24 -1.16 -4.64 118.33 113.45 1hbm n VAL 158 Ca 0.02 -3.18 0.16 0.00 -2.04 0.00 0.00 64.34 59.29 1hbm n VAL 158 Cb 0.63 -0.41 0.69 0.00 -1.47 0.00 0.00 33.84 33.29 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 1.17 1.00 -0.13 2.33 0.00 -1.58 -2.30 119.26 119.75 1hbm h ALA 159 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hbm h ALA 159 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hbm h ALA 159 CO 0.28 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.13 1hbm n ASP 160 N -2.77 1.82 -4.77 0.00 5.75 -1.26 -4.87 116.55 110.43 1hbm n ASP 160 Ca 0.00 -1.68 -0.37 0.00 -0.01 0.00 0.00 54.79 52.74 1hbm n ASP 160 Cb 0.23 -0.08 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 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 -1.73 6.60 0.15 -1.12 0.15 -0.87 -4.85 113.70 112.03 1hbm s SER 161 Ca 0.34 0.71 -0.24 0.00 0.70 0.00 0.00 55.95 57.46 1hbm s SER 161 Cb 0.19 -2.22 0.08 0.00 -1.71 0.00 0.00 66.02 62.36 1hbm s SER 161 CO 0.29 0.17 1.04 -0.72 1.20 0.00 0.00 173.24 175.22 1hbm s TYR 162 N -0.08 -0.02 -0.06 3.44 -0.85 -0.82 -4.67 117.35 114.28 1hbm s TYR 162 Ca 0.21 -0.30 0.02 0.00 -0.52 0.00 0.00 57.07 56.48 1hbm s TYR 162 Cb -0.15 0.66 0.01 0.00 0.38 0.00 0.00 41.96 42.87 1hbm s TYR 162 CO 0.08 -0.80 -0.10 0.08 -1.52 0.00 0.00 175.55 173.29 1hbm s VAL 163 N -2.64 0.99 0.39 -3.49 1.01 -1.26 -1.47 120.40 113.93 1hbm s VAL 163 Ca 0.17 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1hbm s VAL 163 Cb -0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.37 1hbm s VAL 163 CO 0.03 0.32 0.01 -0.54 0.00 0.00 0.00 175.10 174.92 1hbm s LYS 164 N 0.68 1.91 0.25 2.72 1.02 -0.65 -4.90 119.74 120.77 1hbm s LYS 164 Ca -0.13 -2.07 0.05 0.00 0.02 0.00 0.00 55.97 53.83 1hbm s LYS 164 Cb -0.15 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1hbm s LYS 164 CO 0.03 -0.05 -0.02 0.14 -0.92 0.00 0.00 175.35 174.53 1hbm s VAL 165 N -2.77 1.24 0.10 3.17 -7.23 0.32 -0.51 120.40 114.71 1hbm s VAL 165 Ca 0.35 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 1hbm s VAL 165 Cb 0.09 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1hbm s VAL 165 CO 0.18 -0.30 0.18 0.72 -0.31 0.00 0.00 175.10 175.57 1hbm s PHE 166 N -3.28 0.27 0.04 2.82 -0.12 -0.51 -1.31 117.98 115.89 1hbm s PHE 166 Ca 0.29 -0.69 -0.23 0.00 -0.05 0.00 0.00 56.93 56.25 1hbm s PHE 166 Cb 0.05 -0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1hbm s PHE 166 CO 0.10 -0.56 0.52 -0.08 -0.05 0.00 0.00 175.22 175.15 1hbm s THR 167 N -3.90 0.03 -0.86 -4.49 -1.32 -1.26 -1.79 115.64 102.04 1hbm s THR 167 Ca 0.08 -0.24 0.27 0.00 -1.21 0.00 0.00 61.69 60.60 1hbm s THR 167 Cb 0.05 -0.97 0.26 0.00 -1.51 0.00 0.00 72.50 70.33 1hbm s THR 167 CO -0.08 -0.13 1.85 0.61 -2.21 0.00 0.00 174.62 174.66 1hbm n GLY 168 N 0.43 -1.60 3.53 6.08 0.00 -0.45 -4.66 105.19 108.51 1hbm n GLY 168 Ca -0.18 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.77 6.37 0.28 1.61 3.84 -1.06 -4.79 114.94 117.43 1hbm s ASN 169 Ca 0.12 -0.27 -0.03 0.00 0.21 0.00 0.00 52.86 52.89 1hbm s ASN 169 Cb 0.16 -2.42 0.37 0.00 -0.55 0.00 0.00 41.25 38.81 1hbm s ASN 169 CO 0.56 -1.11 1.92 0.44 -2.79 0.00 0.00 177.10 176.11 1hbm h ASP 170 N 9.19 0.97 -0.18 -4.21 3.32 -1.94 -1.67 116.42 121.90 1hbm h ASP 170 Ca -0.26 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 1hbm h ASP 170 Cb 1.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1hbm h ASP 170 CO 1.04 0.76 -0.34 -0.33 -1.72 0.00 0.00 179.24 178.66 1hbm h GLU 171 N 1.11 0.69 -0.31 3.56 3.07 -1.98 -1.44 114.58 119.29 1hbm h GLU 171 Ca 0.29 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1hbm h GLU 171 Cb -0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1hbm h GLU 171 CO -0.05 0.93 -0.07 0.82 -1.40 0.00 0.00 179.01 179.24 1hbm h ILE 172 N 0.58 1.28 -0.95 3.13 1.08 -1.95 -3.09 117.51 117.59 1hbm h ILE 172 Ca 0.06 -1.10 0.07 0.00 -0.39 0.00 0.00 64.86 63.51 1hbm h ILE 172 Cb 0.85 1.37 -0.07 0.00 -3.07 0.00 0.00 36.82 35.90 1hbm h ILE 172 CO 0.07 0.35 0.60 0.00 -0.69 0.00 0.00 178.15 178.49 1hbm h ALA 173 N 0.80 1.34 0.00 1.87 0.00 -1.12 -0.58 119.26 121.56 1hbm h ALA 173 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1hbm h ALA 173 Cb 0.55 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hbm h ALA 173 CO 0.03 0.35 -0.04 -0.44 0.00 0.00 0.00 179.25 179.14 1hbm h ASP 174 N 1.07 0.00 0.46 0.00 3.32 -1.23 -2.79 116.42 117.25 1hbm h ASP 174 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1hbm h ASP 174 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1hbm h ASP 174 CO -0.19 0.04 -0.71 -0.62 -1.72 0.00 0.00 179.24 176.04 1hbm n GLU 175 N -3.39 0.10 -3.08 3.56 -0.58 -0.24 -4.87 120.64 112.15 1hbm n GLU 175 Ca -0.02 0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.37 1hbm n GLU 175 Cb 0.17 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 1hbm n GLU 175 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1hbm s ILE 176 N -3.07 4.54 0.22 -3.67 1.01 -1.05 -4.68 121.20 114.50 1hbm s ILE 176 Ca 0.08 1.33 -0.32 0.00 0.00 0.00 0.00 60.65 61.75 1hbm s ILE 176 Cb 0.16 -3.88 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 1hbm s ILE 176 CO 0.75 0.22 1.62 -0.67 0.00 0.00 0.00 174.94 176.86 1hbm n ASP 177 N 0.76 3.63 0.00 3.58 4.64 -1.26 -4.86 116.55 123.04 1hbm n ASP 177 Ca -0.02 1.10 0.08 0.00 -1.38 0.00 0.00 54.79 54.57 1hbm n ASP 177 Cb 0.51 -1.53 0.37 0.00 -1.04 0.00 0.00 41.12 39.43 1hbm n ASP 177 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1hbm n PRO 178 N 3.15 0.01 0.27 -0.67 -0.04 -1.26 -1.95 135.00 134.51 1hbm n PRO 178 Ca 0.14 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1hbm n PRO 178 Cb 0.34 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.02 1hbm n PRO 178 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hbm h ALA 179 N 2.60 1.67 -0.05 0.55 0.00 -2.01 -3.07 119.26 118.95 1hbm h ALA 179 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 179 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hbm h ALA 179 CO 0.00 0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.51 1hbm n PHE 180 N -4.13 0.04 -4.29 0.00 3.01 -0.82 -4.98 117.46 106.29 1hbm n PHE 180 Ca -0.03 -0.02 -0.34 0.00 1.01 0.00 0.00 57.45 58.07 1hbm n PHE 180 Cb 0.14 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.50 1hbm n PHE 180 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1hbm s VAL 181 N -1.69 4.16 -0.44 -4.37 1.01 -1.16 -0.52 120.40 117.39 1hbm s VAL 181 Ca 0.25 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1hbm s VAL 181 Cb 0.17 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1hbm s VAL 181 CO 0.26 0.49 1.08 -0.63 0.00 0.00 0.00 175.10 176.30 1hbm s ILE 182 N 0.32 4.32 -0.52 2.22 1.01 -0.43 -4.94 121.20 123.18 1hbm s ILE 182 Ca -0.02 1.25 -0.23 0.00 0.00 0.00 0.00 60.65 61.66 1hbm s ILE 182 Cb -0.14 -4.53 0.04 0.00 0.01 0.00 0.00 42.46 37.85 1hbm s ILE 182 CO 0.02 -0.86 0.83 -0.62 0.00 0.00 0.00 174.94 174.32 1hbm s ASP 183 N 2.25 6.32 0.24 3.58 -1.08 -1.26 -4.72 116.67 121.99 1hbm s ASP 183 Ca 0.45 -0.47 -0.05 0.00 -0.52 0.00 0.00 52.55 51.96 1hbm s ASP 183 Cb -0.09 -2.39 0.26 0.00 -1.46 0.00 0.00 42.92 39.24 1hbm s ASP 183 CO 0.27 -1.09 1.82 0.40 0.52 0.00 0.00 175.17 177.09 1hbm h ILE 184 N 5.97 1.25 0.00 4.11 2.04 -1.94 -1.71 117.51 127.23 1hbm h ILE 184 Ca -0.26 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 1hbm h ILE 184 Cb 1.08 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1hbm h ILE 184 CO 1.04 0.31 -0.33 0.78 0.00 0.00 0.00 178.15 179.95 1hbm h ASN 185 N 1.08 0.00 0.19 1.72 2.35 -1.91 -1.47 115.58 117.54 1hbm h ASN 185 Ca 0.25 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.70 1hbm h ASN 185 Cb 0.18 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.58 1hbm h ASN 185 CO -0.02 0.33 -1.28 0.50 -1.65 0.00 0.00 177.43 175.30 1hbm h LYS 186 N 0.00 0.59 0.00 0.81 3.64 -1.89 -3.39 116.57 116.34 1hbm h LYS 186 Ca -0.00 -0.82 -0.06 0.00 -1.27 0.00 0.00 60.65 58.50 1hbm h LYS 186 Cb 0.84 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1hbm h LYS 186 CO 0.04 1.37 -0.94 1.96 -2.27 0.00 0.00 179.45 179.61 1hbm h GLN 187 N 0.24 0.00 -6.41 1.90 1.08 -1.14 -3.47 115.11 107.32 1hbm h GLN 187 Ca -0.19 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.37 1hbm h GLN 187 Cb 1.95 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 29.12 1hbm h GLN 187 CO 0.24 0.13 -0.86 -0.06 -0.95 0.00 0.00 178.83 177.33 1hbm s PHE 188 N -3.18 2.07 0.80 2.96 0.40 -0.57 -4.91 117.98 115.54 1hbm s PHE 188 Ca 0.00 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.81 1hbm s PHE 188 Cb 0.09 -1.23 0.08 0.00 0.51 0.00 0.00 43.02 42.46 1hbm s PHE 188 CO 0.78 0.11 1.18 -1.25 0.70 0.00 0.00 175.22 176.73 1hbm s PRO 189 N -1.22 1.77 0.18 0.24 0.04 -1.26 -4.57 135.00 130.18 1hbm s PRO 189 Ca 0.10 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 1hbm s PRO 189 Cb -0.09 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.78 1hbm s PRO 189 CO 0.02 -2.09 1.63 1.49 0.04 0.00 0.00 177.00 178.09 1hbm h GLU 190 N -0.91 -0.10 -0.48 4.56 4.81 -1.96 0.15 114.58 120.65 1hbm h GLU 190 Ca -0.46 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 1hbm h GLU 190 Cb 1.28 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1hbm h GLU 190 CO 0.47 -0.07 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.16 1hbm h ASP 191 N -0.10 0.90 -0.70 1.04 3.32 -2.00 -1.46 116.42 117.43 1hbm h ASP 191 Ca 0.23 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1hbm h ASP 191 Cb 0.45 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1hbm h ASP 191 CO -0.54 1.04 0.32 1.56 -1.72 0.00 0.00 179.24 179.89 1hbm h GLN 192 N 0.75 1.02 -0.31 3.56 4.20 -1.72 -2.31 115.11 120.31 1hbm h GLN 192 Ca 0.12 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1hbm h GLN 192 Cb 0.63 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1hbm h GLN 192 CO 0.04 0.82 0.15 0.00 -0.67 0.00 0.00 178.83 179.16 1hbm h ALA 193 N 1.15 0.37 -0.41 3.87 0.00 -0.46 -0.96 119.26 122.82 1hbm h ALA 193 Ca 0.24 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1hbm h ALA 193 Cb 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1hbm h ALA 193 CO -0.03 -0.24 0.08 1.49 0.00 0.00 0.00 179.25 180.56 1hbm h GLU 194 N 0.31 0.21 0.01 0.00 4.81 -1.17 -0.19 114.58 118.57 1hbm h GLU 194 Ca 0.13 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1hbm h GLU 194 Cb 0.05 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1hbm h GLU 194 CO -0.10 0.14 -0.06 1.15 -0.73 0.00 0.00 179.01 179.41 1hbm h THR 195 N 0.22 0.84 -0.53 0.32 2.02 -1.13 -2.27 112.91 112.38 1hbm h THR 195 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1hbm h THR 195 Cb 0.24 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1hbm h THR 195 CO -0.26 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 175.83 1hbm h LEU 196 N -0.12 0.68 -0.71 2.58 3.38 -0.85 -1.68 115.31 118.60 1hbm h LEU 196 Ca 0.02 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1hbm h LEU 196 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1hbm h LEU 196 CO -0.06 0.60 0.13 0.11 0.09 0.00 0.00 178.44 179.31 1hbm h LYS 197 N 0.71 1.11 -0.84 1.13 1.57 -1.04 -1.89 116.57 117.33 1hbm h LYS 197 Ca 0.18 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1hbm h LYS 197 Cb 0.09 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1hbm h LYS 197 CO -0.03 1.01 0.55 0.00 -0.57 0.00 0.00 179.45 180.41 1hbm h ALA 198 N 1.08 1.39 -0.50 3.86 0.00 -1.10 0.21 119.26 124.20 1hbm h ALA 198 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1hbm h ALA 198 Cb 0.42 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1hbm h ALA 198 CO 0.01 0.56 0.21 0.93 0.00 0.00 0.00 179.25 180.96 1hbm h GLU 199 N 1.15 0.75 0.14 0.00 4.39 -0.84 -3.28 114.58 116.88 1hbm h GLU 199 Ca 0.31 -0.13 -0.28 0.00 0.34 0.00 0.00 59.36 59.60 1hbm h GLU 199 Cb -0.12 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1hbm h GLU 199 CO -0.07 0.66 -1.28 0.28 -1.16 0.00 0.00 179.01 177.44 1hbm h VAL 200 N 0.67 1.46 0.00 3.13 2.07 -0.98 -3.49 116.25 119.11 1hbm h VAL 200 Ca 0.17 -3.02 0.00 0.00 0.82 0.00 0.00 66.70 64.67 1hbm h VAL 200 Cb 0.18 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1hbm h VAL 200 CO -0.02 0.88 0.00 0.61 0.02 0.00 0.00 177.57 179.07 1hbm n GLY 201 N 1.56 2.46 0.00 2.17 0.00 0.72 -2.04 105.19 110.05 1hbm n GLY 201 Ca -0.10 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.12 0.00 -4.58 1.61 8.00 -1.26 -1.34 116.55 118.85 1hbm n ASP 202 Ca 0.00 -0.25 -0.38 0.00 0.71 0.00 0.00 54.79 54.87 1hbm n ASP 202 Cb 0.00 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1hbm n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hbm n GLY 203 N 0.57 -0.57 3.04 0.44 0.00 -0.87 -4.88 105.19 102.93 1hbm n GLY 203 Ca 0.13 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1hbm n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hbm s ILE 204 N -1.55 1.35 -0.02 -0.61 1.01 -1.26 -4.02 121.20 116.10 1hbm s ILE 204 Ca 0.74 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.86 1hbm s ILE 204 Cb -0.43 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1hbm s ILE 204 CO 0.49 0.41 -0.17 0.26 0.00 0.00 0.00 174.94 175.93 1hbm s TRP 205 N 0.87 1.56 0.04 3.97 0.52 -0.74 -1.44 118.94 123.72 1hbm s TRP 205 Ca -0.10 -0.35 -0.17 0.00 0.02 0.00 0.00 56.10 55.50 1hbm s TRP 205 Cb -0.15 -1.03 -0.06 0.00 -1.15 0.00 0.00 33.47 31.08 1hbm s TRP 205 CO 0.01 -0.07 0.50 -0.65 0.02 0.00 0.00 176.95 176.76 1hbm s GLN 206 N -0.23 4.10 -0.30 4.98 -0.21 0.28 -1.42 119.66 126.86 1hbm s GLN 206 Ca 0.03 0.60 -0.07 0.00 0.02 0.00 0.00 55.36 55.94 1hbm s GLN 206 Cb -0.08 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.70 1hbm s GLN 206 CO 0.00 0.64 0.08 0.08 -2.12 0.00 0.00 175.29 173.97 1hbm s VAL 207 N -1.01 3.91 -0.20 1.09 1.01 0.33 -0.46 120.40 125.06 1hbm s VAL 207 Ca 0.27 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1hbm s VAL 207 Cb -0.18 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1hbm s VAL 207 CO 0.16 0.07 0.04 -0.69 0.00 0.00 0.00 175.10 174.68 1hbm s VAL 208 N 1.49 4.34 -0.18 2.92 1.01 -0.46 -1.64 120.40 127.88 1hbm s VAL 208 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1hbm s VAL 208 Cb -0.17 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1hbm s VAL 208 CO 0.02 0.42 -0.17 -0.13 0.00 0.00 0.00 175.10 175.24 1hbm s ARG 209 N 0.84 3.08 0.68 2.72 0.52 -0.54 -1.39 118.95 124.85 1hbm s ARG 209 Ca 0.02 -0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 54.39 1hbm s ARG 209 Cb -0.14 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.77 1hbm s ARG 209 CO 0.02 -0.15 0.97 0.96 0.02 0.00 0.00 175.30 177.12 1hbm s ILE 210 N 1.20 2.34 0.25 1.52 -4.36 -0.35 -1.95 121.20 119.85 1hbm s ILE 210 Ca 0.02 -0.36 -0.30 0.00 -0.26 0.00 0.00 60.65 59.76 1hbm s ILE 210 Cb -0.14 -2.99 -0.09 0.00 1.25 0.00 0.00 42.46 40.49 1hbm s ILE 210 CO -0.08 0.00 1.33 -2.84 0.24 0.00 0.00 174.94 173.58 1hbm s PRO 211 N -5.15 4.36 0.28 0.37 0.02 -1.26 -4.57 135.00 129.06 1hbm s PRO 211 Ca 0.60 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.78 1hbm s PRO 211 Cb -0.10 -3.14 0.57 0.00 0.02 0.00 0.00 34.50 31.84 1hbm s PRO 211 CO 0.43 -0.25 1.83 1.15 -0.33 0.00 0.00 177.00 179.83 1hbm h THR 212 N 3.47 0.90 -0.24 0.99 2.02 -1.90 -1.50 112.91 116.66 1hbm h THR 212 Ca -0.46 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1hbm h THR 212 Cb 1.22 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1hbm h THR 212 CO 0.74 0.18 0.08 -0.29 0.37 0.00 0.00 175.52 176.60 1hbm h ILE 213 N 0.97 1.10 0.03 3.11 2.10 -1.83 -0.64 117.51 122.35 1hbm h ILE 213 Ca 0.50 -0.33 -0.22 0.00 1.08 0.00 0.00 64.86 65.90 1hbm h ILE 213 Cb 0.52 0.83 0.02 0.00 -1.09 0.00 0.00 36.82 37.11 1hbm h ILE 213 CO -0.28 0.12 -0.86 0.58 -1.08 0.00 0.00 178.15 176.64 1hbm h VAL 214 N 0.33 1.36 -0.87 2.19 2.07 -1.71 -2.43 116.25 117.19 1hbm h VAL 214 Ca 0.08 -2.22 0.05 0.00 0.82 0.00 0.00 66.70 65.43 1hbm h VAL 214 Cb 0.09 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 1hbm h VAL 214 CO -0.01 0.66 0.55 -1.28 0.02 0.00 0.00 177.57 177.52 1hbm h SER 215 N 0.10 0.89 -0.20 0.57 0.87 -0.73 -0.29 113.55 114.74 1hbm h SER 215 Ca -0.12 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1hbm h SER 215 Cb 1.55 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1hbm h SER 215 CO 0.17 0.58 -0.34 0.03 -0.53 0.00 0.00 176.83 176.74 1hbm h ARG 216 N 1.03 0.58 -0.71 2.24 3.08 -1.21 -3.13 114.38 116.26 1hbm h ARG 216 Ca 0.37 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1hbm h ARG 216 Cb 0.11 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1hbm h ARG 216 CO -0.15 0.97 0.41 1.15 -1.07 0.00 0.00 179.97 181.27 1hbm h THR 217 N 0.26 1.20 0.00 2.04 2.02 -1.18 -3.45 112.91 113.80 1hbm h THR 217 Ca 0.02 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1hbm h THR 217 Cb 0.92 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1hbm h THR 217 CO 0.08 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.19 1hbm n ASP 219 N 0.00 -1.02 0.14 0.00 5.75 -1.23 -4.95 116.55 115.24 1hbm n ASP 219 Ca 0.00 -2.17 -0.01 0.00 -0.01 0.00 0.00 54.79 52.59 1hbm n ASP 219 Cb 0.00 1.83 0.19 0.00 -1.03 0.00 0.00 41.12 42.12 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 1.27 0.03 2.00 6.12 0.00 -1.75 -2.74 103.07 108.01 1hbm h GLY 220 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1hbm h GLY 220 CO 0.25 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.82 1hbm n ALA 221 N -2.44 2.07 0.17 3.60 0.00 -0.94 -1.84 120.51 121.14 1hbm n ALA 221 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.40 1hbm n ALA 221 Cb 0.58 -1.39 0.42 0.00 0.00 0.00 0.00 19.45 19.06 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 1.18 0.07 0.00 2.02 -1.80 -3.38 112.91 111.00 1hbm h THR 222 Ca 0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1hbm h THR 222 Cb 0.45 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1hbm h THR 222 CO 0.00 0.25 -0.03 0.74 0.37 0.00 0.00 175.52 176.85 1hbm h THR 223 N 0.09 1.04 0.00 3.16 2.02 -1.53 -0.26 112.91 117.43 1hbm h THR 223 Ca 0.02 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1hbm h THR 223 Cb 0.43 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1hbm h THR 223 CO 0.03 0.09 -0.37 0.77 0.37 0.00 0.00 175.52 176.41 1hbm h SER 224 N -0.25 0.00 0.07 4.18 4.64 -1.79 -1.53 113.55 118.87 1hbm h SER 224 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1hbm h SER 224 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1hbm h SER 224 CO 0.02 0.37 -0.03 0.03 -0.87 0.00 0.00 176.83 176.34 1hbm h ARG 225 N 0.00 -0.09 -0.32 4.77 3.08 -1.66 -1.56 114.38 118.60 1hbm h ARG 225 Ca -0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1hbm h ARG 225 Cb 0.86 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1hbm h ARG 225 CO 0.05 0.39 0.12 2.35 -1.07 0.00 0.00 179.97 181.81 1hbm h TRP 226 N -0.61 0.22 -0.39 3.04 2.91 -0.92 -0.80 115.95 119.40 1hbm h TRP 226 Ca -0.01 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.11 1hbm h TRP 226 Cb 0.52 -0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 29.03 1hbm h TRP 226 CO 0.09 0.10 -0.16 1.03 -1.03 0.00 0.00 178.44 178.48 1hbm h SER 227 N 0.27 -0.55 -0.16 2.65 0.87 -1.34 -2.81 113.55 112.47 1hbm h SER 227 Ca 0.14 0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.74 1hbm h SER 227 Cb 0.10 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1hbm h SER 227 CO -0.13 -0.19 -0.23 0.00 -0.53 0.00 0.00 176.83 175.74 1hbm h ALA 228 N 1.24 1.01 -0.66 6.23 0.00 -0.32 -0.61 119.26 126.14 1hbm h ALA 228 Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hbm h ALA 228 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1hbm h ALA 228 CO -0.45 0.59 0.36 0.52 0.00 0.00 0.00 179.25 180.27 1hbm h MET 229 N 0.54 0.92 0.00 0.00 2.86 -0.94 -0.86 114.93 117.44 1hbm h MET 229 Ca 0.08 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1hbm h MET 229 Cb 0.68 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1hbm h MET 229 CO 0.05 0.69 -0.92 1.96 1.06 0.00 0.00 176.91 179.76 1hbm h GLN 230 N 0.90 0.00 -0.25 1.72 1.08 -1.27 -1.57 115.11 115.73 1hbm h GLN 230 Ca 0.23 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1hbm h GLN 230 Cb 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1hbm h GLN 230 CO -0.04 0.34 0.15 0.82 -0.95 0.00 0.00 178.83 179.15 1hbm h ILE 231 N 0.00 1.10 -0.03 2.54 2.04 -1.04 -1.98 117.51 120.14 1hbm h ILE 231 Ca -0.07 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1hbm h ILE 231 Cb 1.41 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1hbm h ILE 231 CO 0.05 0.09 -0.06 1.23 0.00 0.00 0.00 178.15 179.46 1hbm h GLY 232 N 0.31 -0.04 0.96 5.37 0.00 -1.01 0.68 103.07 109.34 1hbm h GLY 232 Ca 0.09 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.53 1hbm h GLY 232 CO -0.02 -0.07 0.61 -0.33 0.00 0.00 0.00 176.54 176.73 1hbm h MET 233 N -0.09 1.12 -0.01 4.80 2.86 -1.25 -2.16 114.93 120.20 1hbm h MET 233 Ca 0.03 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 1hbm h MET 233 Cb 0.14 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1hbm h MET 233 CO -0.08 0.74 -0.73 0.77 1.06 0.00 0.00 176.91 178.67 1hbm h SER 234 N 1.15 0.11 -0.36 1.22 0.02 -1.02 -0.95 113.55 113.72 1hbm h SER 234 Ca 0.37 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1hbm h SER 234 Cb 0.03 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1hbm h SER 234 CO -0.11 0.80 -0.09 0.24 -1.14 0.00 0.00 176.83 176.53 1hbm h MET 235 N 0.06 0.69 -0.14 3.45 2.86 -0.59 0.47 114.93 121.73 1hbm h MET 235 Ca -0.02 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1hbm h MET 235 Cb 1.29 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 1hbm h MET 235 CO 0.10 0.85 -0.07 0.82 1.06 0.00 0.00 176.91 179.67 1hbm h ILE 236 N 0.48 0.78 -0.14 -1.22 2.04 -1.28 -2.26 117.51 115.91 1hbm h ILE 236 Ca 0.09 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1hbm h ILE 236 Cb 0.59 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1hbm h ILE 236 CO 0.04 0.00 -0.14 -1.28 0.00 0.00 0.00 178.15 176.76 1hbm h SER 237 N -0.06 0.37 1.07 1.72 0.87 -1.01 -2.61 113.55 113.90 1hbm h SER 237 Ca 0.08 -0.48 -0.16 0.00 -1.23 0.00 0.00 61.79 60.00 1hbm h SER 237 Cb 0.17 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1hbm h SER 237 CO -0.18 0.78 -0.74 0.00 -0.53 0.00 0.00 176.83 176.15 1hbm h ALA 238 N 0.60 0.59 -0.32 6.23 0.00 -0.92 -3.29 119.26 122.15 1hbm h ALA 238 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1hbm h ALA 238 Cb 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1hbm h ALA 238 CO 0.04 0.93 0.00 0.66 0.00 0.00 0.00 179.25 180.88 1hbm n TYR 239 N -3.39 0.43 -3.54 0.00 4.02 -0.85 -4.89 117.16 108.93 1hbm n TYR 239 Ca 0.00 -0.42 -0.23 0.00 -0.01 0.00 0.00 57.90 57.24 1hbm n TYR 239 Cb 0.80 -0.02 0.08 0.00 -0.02 0.00 0.00 39.34 40.17 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 0.62 -7.65 -1.00 -0.72 5.02 -1.00 -5.02 118.16 108.41 1hbm n LYS 240 Ca 0.12 0.81 -0.32 0.00 -2.02 0.00 0.00 58.31 56.90 1hbm n LYS 240 Cb 0.42 -5.80 0.13 0.00 -0.02 0.00 0.00 35.03 29.77 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 -6.25 1.55 0.51 1.97 -0.21 -1.14 -5.00 119.66 111.09 1hbm s GLN 241 Ca 0.56 1.55 -0.19 0.00 0.02 0.00 0.00 55.36 57.30 1hbm s GLN 241 Cb -0.25 -1.79 -0.11 0.00 1.00 0.00 0.00 33.01 31.87 1hbm s GLN 241 CO 0.69 -2.24 0.46 0.00 -2.12 0.00 0.00 175.29 172.09 1hbm n ALA 242 N -3.67 -1.44 -2.71 6.09 0.00 -1.26 -4.86 120.51 112.66 1hbm n ALA 242 Ca 0.12 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 1hbm n ALA 242 Cb 0.52 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.40 3.80 0.00 0.00 0.00 -1.26 -4.22 120.51 117.43 1hbm n ALA 243 Ca 0.11 -4.04 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1hbm n ALA 243 Cb 0.45 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 4.72 0.77 2.32 0.00 0.00 -1.26 -5.18 105.19 106.56 1hbm n GLY 244 Ca 0.44 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 0.89 -0.28 1.61 0.28 -1.26 -5.03 120.64 116.85 1hbm n GLU 245 Ca 0.00 -2.37 -0.02 0.00 -0.16 0.00 0.00 57.16 54.61 1hbm n GLU 245 Cb 0.00 1.02 0.17 0.00 1.43 0.00 0.00 31.44 34.06 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 1.34 1.32 0.00 -1.84 0.00 -2.02 -1.67 119.26 116.38 1hbm h ALA 246 Ca -0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1hbm h ALA 246 Cb 0.83 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1hbm h ALA 246 CO 0.39 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 180.15 1hbm h ALA 247 N 1.41 1.18 -0.83 0.00 0.00 -1.99 -2.42 119.26 116.61 1hbm h ALA 247 Ca 0.30 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1hbm h ALA 247 Cb -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1hbm h ALA 247 CO -0.06 0.09 0.54 1.15 0.00 0.00 0.00 179.25 180.97 1hbm h THR 248 N 0.00 0.91 0.00 0.00 2.02 -1.69 -1.30 112.91 112.85 1hbm h THR 248 Ca -0.00 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1hbm h THR 248 Cb 0.30 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1hbm h THR 248 CO 0.01 0.13 -0.20 1.23 0.37 0.00 0.00 175.52 177.06 1hbm h GLY 249 N 0.72 0.00 1.02 2.16 0.00 -1.57 -2.51 103.07 102.89 1hbm h GLY 249 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.64 1hbm h GLY 249 CO -0.16 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.83 1hbm h ASP 250 N 0.00 0.88 -0.59 0.19 3.32 -1.40 -0.97 116.42 117.85 1hbm h ASP 250 Ca -0.00 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1hbm h ASP 250 Cb 0.36 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1hbm h ASP 250 CO 0.03 0.97 0.11 -0.26 -1.72 0.00 0.00 179.24 178.37 1hbm h PHE 251 N 0.77 1.06 0.15 4.55 -1.00 -1.45 -0.22 116.94 120.79 1hbm h PHE 251 Ca 0.15 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1hbm h PHE 251 Cb 0.52 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1hbm h PHE 251 CO 0.04 0.89 -0.07 0.00 -1.61 0.00 0.00 178.31 177.56 1hbm h ALA 252 N 1.17 -0.20 -0.60 2.45 0.00 -1.25 -1.83 119.26 119.00 1hbm h ALA 252 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1hbm h ALA 252 Cb 0.40 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1hbm h ALA 252 CO 0.01 -0.61 0.16 -0.92 0.00 0.00 0.00 179.25 177.88 1hbm h TYR 253 N -0.20 0.97 -0.60 0.00 3.20 -1.09 -0.96 116.97 118.30 1hbm h TYR 253 Ca -0.02 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.69 1hbm h TYR 253 Cb 0.15 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1hbm h TYR 253 CO -0.07 0.79 0.11 0.00 -1.64 0.00 0.00 178.16 177.36 1hbm h ALA 254 N 1.27 0.79 0.00 1.82 0.00 -0.93 -1.64 119.26 120.58 1hbm h ALA 254 Ca 0.20 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1hbm h ALA 254 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1hbm h ALA 254 CO -0.00 0.53 -1.05 0.00 0.00 0.00 0.00 179.25 178.72 1hbm h ALA 255 N 1.02 0.45 0.00 0.00 0.00 -1.06 0.25 119.26 119.93 1hbm h ALA 255 Ca 0.18 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1hbm h ALA 255 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hbm h ALA 255 CO 0.01 1.22 -0.70 1.63 0.00 0.00 0.00 179.25 181.41 1hbm n LYS 256 N -3.28 0.20 -0.00 0.00 5.02 -0.39 -4.54 118.16 115.16 1hbm n LYS 256 Ca -0.02 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1hbm n LYS 256 Cb 0.93 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 34.34 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 -1.72 0.01 -2.51 7.82 0.00 -0.62 -4.86 120.51 118.63 1hbm n ALA 258 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1hbm n ALA 258 Cb 0.41 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.56 1.59 -3.89 0.00 0.28 0.07 -5.04 120.64 112.10 1hbm n GLU 259 Ca 0.00 -3.22 -0.37 0.00 -0.16 0.00 0.00 57.16 53.41 1hbm n GLU 259 Cb 0.02 -1.31 -0.06 0.00 1.43 0.00 0.00 31.44 31.51 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 -2.93 5.46 -0.32 3.84 0.11 -1.25 -0.28 120.40 125.02 1hbm s VAL 260 Ca 0.34 0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.61 1hbm s VAL 260 Cb 0.36 -3.38 0.09 0.00 -1.53 0.00 0.00 36.38 31.91 1hbm s VAL 260 CO -0.06 0.61 0.02 -0.63 -3.33 0.00 0.00 175.10 171.70 1hbm s ILE 261 N -0.92 2.38 0.64 7.04 -1.09 0.45 -5.01 121.20 124.69 1hbm s ILE 261 Ca 0.14 -2.08 -0.14 0.00 -2.23 0.00 0.00 60.65 56.34 1hbm s ILE 261 Cb -0.12 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.12 1hbm s ILE 261 CO 0.03 -0.43 1.08 -1.00 -1.23 0.00 0.00 174.94 173.40 1hbm s HIS 262 N 0.99 2.85 0.13 3.97 3.76 -1.26 -2.44 115.29 123.28 1hbm s HIS 262 Ca 0.04 1.52 -0.08 0.00 -0.15 0.00 0.00 55.06 56.39 1hbm s HIS 262 Cb -0.20 -3.05 -0.09 0.00 1.11 0.00 0.00 32.58 30.36 1hbm s HIS 262 CO -0.06 -1.38 1.33 0.52 -0.85 0.00 0.00 174.74 174.30 1hbm h MET 263 N 0.01 0.61 -4.56 1.40 2.86 -1.91 -3.46 114.93 109.89 1hbm h MET 263 Ca -0.46 -0.54 -0.35 0.00 -2.06 0.00 0.00 59.70 56.30 1hbm h MET 263 Cb 1.23 0.13 -0.27 0.00 0.06 0.00 0.00 31.60 32.74 1hbm h MET 263 CO 0.56 1.16 -0.76 0.20 1.06 0.00 0.00 176.91 179.12 1hbm s GLY 264 N -4.25 0.40 0.61 8.32 0.00 -1.26 -4.25 107.32 106.89 1hbm s GLY 264 Ca -0.08 -0.42 -0.09 0.00 0.00 0.00 0.00 44.72 44.14 1hbm s GLY 264 CO 0.88 -0.39 0.97 -0.51 0.00 0.00 0.00 173.10 174.05 1hbm s THR 265 N -0.43 4.11 0.70 0.90 -4.23 -0.97 -1.25 115.64 114.47 1hbm s THR 265 Ca 0.00 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.80 1hbm s THR 265 Cb -0.04 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.16 1hbm s THR 265 CO -0.00 -0.76 1.06 -0.72 -0.54 0.00 0.00 174.62 173.67 1hbm s TYR 266 N -3.09 3.09 0.17 3.99 -0.85 -1.26 -3.99 117.35 115.41 1hbm s TYR 266 Ca 0.54 1.41 0.07 0.00 -0.52 0.00 0.00 57.07 58.56 1hbm s TYR 266 Cb -0.11 -2.90 -0.04 0.00 0.38 0.00 0.00 41.96 39.30 1hbm s TYR 266 CO 0.49 -1.27 0.03 -0.51 -1.52 0.00 0.00 175.55 172.77 1hbm s LEU 267 N -5.56 3.42 0.95 -3.49 1.43 -0.75 -4.94 118.68 109.74 1hbm s LEU 267 Ca 0.58 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 1hbm s LEU 267 Cb -0.14 -2.07 0.16 0.00 0.03 0.00 0.00 46.19 44.18 1hbm s LEU 267 CO 0.55 0.09 1.09 -2.16 0.23 0.00 0.00 176.35 176.15 1hbm s PRO 268 N -2.96 0.77 0.37 1.29 0.04 -1.26 -3.89 135.00 129.36 1hbm s PRO 268 Ca 0.28 1.00 0.06 0.00 0.04 0.00 0.00 61.00 62.38 1hbm s PRO 268 Cb -0.09 -1.74 0.72 0.00 0.04 0.00 0.00 34.50 33.43 1hbm s PRO 268 CO 0.20 -2.62 1.96 0.28 0.04 0.00 0.00 177.00 176.85 1hbm h VAL 269 N -1.84 1.16 0.00 -0.36 2.07 -2.00 -1.36 116.25 113.92 1hbm h VAL 269 Ca -0.50 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1hbm h VAL 269 Cb 1.29 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1hbm h VAL 269 CO 0.51 0.20 0.00 -1.14 0.02 0.00 0.00 177.57 177.15 1hbm n ARG 270 N -4.36 0.06 0.00 1.57 0.63 -1.26 -4.90 116.66 108.39 1hbm n ARG 270 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1hbm n ARG 270 Cb 0.17 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.05 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 0.35 0.00 -3.34 5.13 0.00 -0.51 -5.23 120.51 116.90 1hbm n ALA 272 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1hbm n ALA 272 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.25 -5.00 118.95 116.51 1hbm s ARG 273 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 55.73 55.70 1hbm s ARG 273 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 34.95 35.32 1hbm s ARG 273 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.30 175.47 1hbm n GLY 274 N 1.13 -1.22 3.65 -3.53 0.00 -1.26 -1.82 105.19 102.14 1hbm n GLY 274 Ca -0.21 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.90 0.61 -1.46 1.61 8.01 -1.26 -3.97 118.70 120.34 1hbm s GLU 275 Ca 0.00 1.00 -0.10 0.00 0.01 0.00 0.00 54.97 55.88 1hbm s GLU 275 Cb 0.00 -1.72 0.06 0.00 -4.31 0.00 0.00 34.13 28.16 1hbm s GLU 275 CO 0.00 -2.74 0.95 0.09 0.01 0.00 0.00 175.26 173.57 1hbm n ASN 276 N -4.25 -4.16 -4.62 -0.19 4.13 -0.38 -2.21 115.26 103.57 1hbm n ASN 276 Ca 0.07 -0.76 -0.23 0.00 1.68 0.00 0.00 54.58 55.34 1hbm n ASN 276 Cb 0.54 -4.09 -0.08 0.00 -1.54 0.00 0.00 39.78 34.62 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 -6.42 2.17 0.34 3.52 0.41 -1.25 -4.29 118.70 113.17 1hbm s GLU 277 Ca 0.50 -1.53 0.02 0.00 -0.41 0.00 0.00 54.97 53.55 1hbm s GLU 277 Cb -0.25 -2.07 0.60 0.00 -1.78 0.00 0.00 34.13 30.64 1hbm s GLU 277 CO 0.81 0.32 1.98 -1.35 -0.49 0.00 0.00 175.26 176.53 1hbm h PRO 278 N 1.92 0.83 0.00 0.39 0.11 -1.95 -2.20 132.00 131.11 1hbm h PRO 278 Ca -0.43 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1hbm h PRO 278 Cb 1.25 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1hbm h PRO 278 CO 0.61 0.58 -0.11 0.78 -0.21 0.00 0.00 178.00 179.66 1hbm h GLY 279 N 0.88 0.00 0.87 -0.55 0.00 -1.95 -2.17 103.07 100.15 1hbm h GLY 279 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1hbm h GLY 279 CO -0.04 0.00 -0.19 0.61 0.00 0.00 0.00 176.54 176.92 1hbm n GLY 280 N -0.69 -0.96 3.62 4.60 0.00 -0.83 -3.53 105.19 107.40 1hbm n GLY 280 Ca -0.02 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.61 4.39 0.61 1.61 1.01 -0.82 -2.30 120.40 122.29 1hbm s VAL 281 Ca 0.24 1.47 -0.18 0.00 0.00 0.00 0.00 61.98 63.51 1hbm s VAL 281 Cb 0.19 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1hbm s VAL 281 CO 0.52 -0.70 1.16 -2.16 0.00 0.00 0.00 175.10 173.92 1hbm s PRO 282 N 3.96 2.96 0.30 2.72 0.04 -1.26 -4.42 135.00 139.31 1hbm s PRO 282 Ca 0.46 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1hbm s PRO 282 Cb -0.10 -1.95 0.59 0.00 0.04 0.00 0.00 34.50 33.08 1hbm s PRO 282 CO 0.22 -1.17 1.88 0.74 0.04 0.00 0.00 177.00 178.71 1hbm h PHE 283 N 0.67 1.04 -0.55 0.56 0.05 -1.15 -1.70 116.94 115.86 1hbm h PHE 283 Ca -0.49 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.29 1hbm h PHE 283 Cb 1.28 -0.34 -0.03 0.00 2.00 0.00 0.00 35.95 38.86 1hbm h PHE 283 CO 0.50 0.48 0.21 0.78 -0.18 0.00 0.00 178.31 180.09 1hbm h GLY 284 N 0.96 0.85 1.03 -1.45 0.00 -1.50 -2.21 103.07 100.75 1hbm h GLY 284 Ca 0.43 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1hbm h GLY 284 CO -0.19 0.41 -0.08 -0.97 0.00 0.00 0.00 176.54 175.70 1hbm h TYR 285 N 0.78 0.99 -0.78 5.60 0.99 -1.60 -2.16 116.97 120.81 1hbm h TYR 285 Ca 0.19 -0.20 0.02 0.00 2.00 0.00 0.00 58.73 60.73 1hbm h TYR 285 Cb 0.17 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 37.61 1hbm h TYR 285 CO 0.01 0.96 0.50 1.25 -0.00 0.00 0.00 178.16 180.89 1hbm h LEU 286 N 0.74 0.85 -0.99 3.88 7.12 -1.01 0.24 115.31 126.14 1hbm h LEU 286 Ca 0.12 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 1hbm h LEU 286 Cb 0.62 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 1hbm h LEU 286 CO 0.04 0.60 0.38 0.00 -0.13 0.00 0.00 178.44 179.33 1hbm h ALA 287 N 1.31 1.21 0.00 1.25 0.00 -1.38 -2.48 119.26 119.17 1hbm h ALA 287 Ca 0.30 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1hbm h ALA 287 Cb -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1hbm h ALA 287 CO -0.09 0.61 -0.69 -0.44 0.00 0.00 0.00 179.25 178.64 1hbm h ASP 288 N 1.09 0.00 0.08 0.00 3.45 -0.53 -3.22 116.42 117.29 1hbm h ASP 288 Ca 0.27 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 1hbm h ASP 288 Cb 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1hbm h ASP 288 CO -0.04 0.69 -0.04 0.40 -1.57 0.00 0.00 179.24 178.69 1hbm h ILE 289 N 0.00 0.95 -2.22 0.35 2.04 -0.36 -3.37 117.51 114.91 1hbm h ILE 289 Ca -0.01 -0.13 -0.60 0.00 1.00 0.00 0.00 64.86 65.12 1hbm h ILE 289 Cb 1.30 1.04 0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1hbm h ILE 289 CO 0.09 0.03 0.70 0.00 0.00 0.00 0.00 178.15 178.97 1hbm n GLN 291 N 3.03 4.02 -0.31 0.00 1.13 -0.36 -4.51 117.38 120.38 1hbm n GLN 291 Ca 0.16 -2.96 0.07 0.00 -1.94 0.00 0.00 57.00 52.34 1hbm n GLN 291 Cb 0.27 -2.01 0.28 0.00 0.11 0.00 0.00 30.24 28.89 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 3.48 0.85 -0.94 1.08 0.87 -1.76 -2.71 113.55 114.42 1hbm h SER 292 Ca 0.00 0.03 0.25 0.00 -1.23 0.00 0.00 61.79 60.84 1hbm h SER 292 Cb 1.64 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 63.40 1hbm h SER 292 CO 0.33 0.48 0.65 0.77 -0.53 0.00 0.00 176.83 178.53 1hbm h SER 293 N 0.93 0.16 0.38 6.23 4.64 -1.88 0.19 113.55 124.19 1hbm h SER 293 Ca 0.44 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1hbm h SER 293 Cb 0.44 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1hbm h SER 293 CO -0.20 0.05 -0.65 -2.11 -0.87 0.00 0.00 176.83 173.05 1hbm n ARG 294 N -4.37 0.02 -0.04 4.77 1.85 -1.02 -3.84 116.66 114.03 1hbm n ARG 294 Ca 0.20 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 57.01 1hbm n ARG 294 Cb 0.91 -1.51 -0.06 0.00 -1.05 0.00 0.00 32.46 30.75 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 -1.53 0.56 -1.76 8.89 0.24 -0.56 -4.51 118.33 119.66 1hbm n VAL 295 Ca 0.05 -0.35 -0.25 0.00 -2.04 0.00 0.00 64.34 61.75 1hbm n VAL 295 Cb 0.34 -0.78 0.06 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.31 5.47 0.16 -1.34 3.02 -0.05 -4.83 115.26 115.37 1hbm n ASN 296 Ca -0.13 -3.77 0.13 0.00 -0.03 0.00 0.00 54.58 50.78 1hbm n ASN 296 Cb 0.77 -0.56 0.53 0.00 -0.61 0.00 0.00 39.78 39.90 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 2.00 0.00 -0.01 3.10 -0.00 -1.76 -1.31 116.97 118.99 1hbm h TYR 297 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.15 1hbm h TYR 297 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.06 1hbm h TYR 297 CO 1.04 0.00 -0.05 0.39 -0.00 0.00 0.00 178.16 179.54 1hbm n GLU 298 N -2.44 1.04 -3.75 0.10 1.02 -1.26 -4.57 120.64 110.78 1hbm n GLU 298 Ca 0.02 -0.37 -0.30 0.00 -0.02 0.00 0.00 57.16 56.50 1hbm n GLU 298 Cb 0.26 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.21 3.80 0.44 1.62 -1.08 -0.50 -4.99 116.67 113.75 1hbm s ASP 299 Ca 0.37 -2.53 0.20 0.00 -0.52 0.00 0.00 52.55 50.07 1hbm s ASP 299 Cb 0.21 -1.10 1.02 0.00 -1.46 0.00 0.00 42.92 41.60 1hbm s ASP 299 CO 0.41 -0.28 1.91 1.55 0.52 0.00 0.00 175.17 179.28 1hbm h PRO 300 N 6.90 0.00 -0.11 4.34 0.13 -1.81 -2.31 132.00 139.14 1hbm h PRO 300 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1hbm h PRO 300 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1hbm h PRO 300 CO 0.50 0.25 0.06 0.28 -0.23 0.00 0.00 178.00 178.86 1hbm h VAL 301 N 0.00 1.10 -0.64 1.56 2.07 -1.94 -1.74 116.25 116.66 1hbm h VAL 301 Ca -0.00 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1hbm h VAL 301 Cb 0.56 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1hbm h VAL 301 CO 0.03 0.09 0.29 -0.09 0.02 0.00 0.00 177.57 177.91 1hbm h ARG 302 N 0.08 0.93 -0.31 1.57 9.65 -1.78 -0.45 114.38 124.07 1hbm h ARG 302 Ca 0.04 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1hbm h ARG 302 Cb 0.09 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1hbm h ARG 302 CO -0.01 0.76 0.19 0.28 2.80 0.00 0.00 179.97 183.99 1hbm h VAL 303 N 0.88 1.09 -0.59 0.20 2.07 -1.42 -1.07 116.25 117.42 1hbm h VAL 303 Ca 0.22 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 1hbm h VAL 303 Cb 0.15 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1hbm h VAL 303 CO -0.02 0.09 0.09 0.28 0.02 0.00 0.00 177.57 178.03 1hbm h SER 304 N 0.40 0.94 1.82 0.57 0.02 -0.93 -2.59 113.55 113.77 1hbm h SER 304 Ca 0.11 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1hbm h SER 304 Cb -0.02 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1hbm h SER 304 CO -0.02 0.96 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.49 1hbm h LEU 305 N 0.87 0.00 -0.67 5.07 3.38 -0.97 -1.78 115.31 121.21 1hbm h LEU 305 Ca 0.18 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1hbm h LEU 305 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1hbm h LEU 305 CO 0.01 0.07 -0.19 0.44 0.09 0.00 0.00 178.44 178.86 1hbm h ASP 306 N 0.00 0.84 -0.36 -0.43 3.32 -1.00 -2.02 116.42 116.78 1hbm h ASP 306 Ca -0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1hbm h ASP 306 Cb 1.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1hbm h ASP 306 CO 0.01 1.02 0.20 0.58 -1.72 0.00 0.00 179.24 179.33 1hbm h VAL 307 N 0.73 1.14 -0.64 -1.35 2.07 -1.25 -1.88 116.25 115.07 1hbm h VAL 307 Ca 0.10 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.38 1hbm h VAL 307 Cb 0.71 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1hbm h VAL 307 CO 0.05 0.14 0.27 0.58 0.02 0.00 0.00 177.57 178.63 1hbm h VAL 308 N 0.46 0.79 -0.40 2.57 2.07 -1.17 -1.11 116.25 119.45 1hbm h VAL 308 Ca 0.13 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1hbm h VAL 308 Cb 0.04 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1hbm h VAL 308 CO -0.02 0.09 0.26 0.00 0.02 0.00 0.00 177.57 177.92 1hbm h ALA 309 N 1.42 0.51 -0.30 1.67 0.00 -1.16 0.32 119.26 121.73 1hbm h ALA 309 Ca 0.32 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1hbm h ALA 309 Cb 0.38 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1hbm h ALA 309 CO -0.30 -0.02 -0.07 1.15 0.00 0.00 0.00 179.25 180.01 1hbm h THR 310 N 0.54 0.71 0.04 0.00 2.02 -0.85 -2.52 112.91 112.84 1hbm h THR 310 Ca 0.15 -0.00 -0.28 0.00 0.77 0.00 0.00 66.41 67.05 1hbm h THR 310 Cb -0.05 0.70 0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1hbm h THR 310 CO -0.03 0.00 -1.11 1.23 0.37 0.00 0.00 175.52 175.98 1hbm h GLY 311 N 0.00 0.76 0.86 2.16 0.00 -1.00 -2.29 103.07 103.56 1hbm h GLY 311 Ca 0.14 -1.40 0.02 0.00 0.00 0.00 0.00 47.33 46.09 1hbm h GLY 311 CO -0.30 1.23 0.12 0.00 0.00 0.00 0.00 176.54 177.59 1hbm h ALA 312 N 0.38 0.31 0.57 3.60 0.00 -0.33 0.25 119.26 124.04 1hbm h ALA 312 Ca -0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1hbm h ALA 312 Cb 1.76 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1hbm h ALA 312 CO 0.22 -0.28 -0.37 1.98 0.00 0.00 0.00 179.25 180.80 1hbm h MET 313 N 0.26 -0.86 0.31 0.00 -1.53 -1.53 -0.96 114.93 110.63 1hbm h MET 313 Ca 0.11 0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.41 1hbm h MET 313 Cb 0.04 0.19 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 1hbm h MET 313 CO -0.08 -0.57 -0.15 1.25 0.14 0.00 0.00 176.91 177.49 1hbm h LEU 314 N -0.89 -0.36 -0.45 3.39 5.85 -1.35 0.06 115.31 121.55 1hbm h LEU 314 Ca -0.08 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.46 1hbm h LEU 314 Cb 0.72 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1hbm h LEU 314 CO 0.07 -0.23 -0.64 1.88 -0.34 0.00 0.00 178.44 179.18 1hbm h TYR 315 N -0.45 0.65 0.10 1.25 0.99 -0.60 -0.87 116.97 118.04 1hbm h TYR 315 Ca -0.04 -0.26 -0.35 0.00 2.00 0.00 0.00 58.73 60.08 1hbm h TYR 315 Cb 0.34 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 37.94 1hbm h TYR 315 CO -0.05 1.00 -1.96 -0.25 -0.00 0.00 0.00 178.16 176.90 1hbm n ASP 316 N -3.91 2.08 -0.04 3.88 8.00 -0.37 -0.48 116.55 125.71 1hbm n ASP 316 Ca -0.04 0.21 -0.18 0.00 0.71 0.00 0.00 54.79 55.49 1hbm n ASP 316 Cb 0.65 -0.84 -0.13 0.00 -0.02 0.00 0.00 41.12 40.78 1hbm n ASP 316 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1hbm h GLN 317 N -0.08 0.10 0.05 -1.24 4.20 -0.99 -0.44 115.11 116.72 1hbm h GLN 317 Ca -0.43 -0.18 -0.19 0.00 0.06 0.00 0.00 58.65 57.91 1hbm h GLN 317 Cb 1.93 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.77 1hbm h GLN 317 CO 0.03 1.09 -0.99 0.82 -0.67 0.00 0.00 178.83 179.10 1hbm h ILE 318 N -0.74 1.20 0.00 2.54 2.04 -1.42 -3.22 117.51 117.90 1hbm h ILE 318 Ca -0.16 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1hbm h ILE 318 Cb 1.34 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 40.15 1hbm h ILE 318 CO -0.00 0.55 0.00 1.87 0.00 0.00 0.00 178.15 180.57 1hbm n TRP 319 N -4.27 0.00 -0.15 1.37 -0.00 -0.34 -1.65 117.44 112.40 1hbm n TRP 319 Ca -0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.22 1hbm n TRP 319 Cb 0.72 -0.42 0.14 0.00 -0.00 0.00 0.00 31.31 31.76 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 0.85 -0.03 5.87 3.38 -0.88 -0.11 115.31 124.38 1hbm h LEU 320 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1hbm h LEU 320 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1hbm h LEU 320 CO 0.00 0.86 -0.03 0.61 0.09 0.00 0.00 178.44 179.98 1hbm n GLY 321 N -0.71 -1.25 1.94 0.83 0.00 -0.17 -2.96 105.19 102.88 1hbm n GLY 321 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 -0.05 -0.30 1.61 2.88 -0.99 -1.87 113.62 113.65 1hbm n SER 322 Ca 0.14 0.21 0.08 0.00 -1.33 0.00 0.00 58.87 57.97 1hbm n SER 322 Cb 0.26 0.16 0.24 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.79 -0.21 0.66 -1.99 -0.58 -1.51 116.97 114.14 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 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.51 1hbm h TYR 323 CO 0.00 0.17 0.00 -1.33 -0.00 0.00 0.00 178.16 177.00 1hbm n MET 324 N -4.87 2.28 0.00 4.88 2.81 -0.12 -4.96 117.12 117.14 1hbm n MET 324 Ca 0.18 -1.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.17 1hbm n MET 324 Cb 0.46 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 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 1.18 0.00 0.00 7.83 3.41 -0.57 -4.95 113.62 120.52 1hbm n SER 325 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1hbm n SER 325 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 2.30 1.16 5.00 0.00 -0.78 -4.76 105.19 108.10 1hbm n GLY 326 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.47 0.65 0.30 -0.02 0.00 -1.26 -4.14 105.19 100.24 1hbm n GLY 327 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.50 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 0.77 -0.01 1.61 2.07 -2.01 -3.47 116.25 115.20 1hbm h VAL 328 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1hbm h VAL 328 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1hbm h VAL 328 CO 0.00 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1hbm n GLY 329 N -1.32 -0.77 2.32 2.17 0.00 -1.26 -4.62 105.19 101.70 1hbm n GLY 329 Ca 0.15 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 2.40 0.19 1.61 3.72 -1.26 -4.89 117.46 119.24 1hbm n PHE 330 Ca 0.00 -2.36 -0.15 0.00 -0.05 0.00 0.00 57.45 54.89 1hbm n PHE 330 Cb 0.00 -0.28 -0.07 0.00 -0.94 0.00 0.00 39.48 38.19 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 3.09 0.38 0.00 4.37 2.02 -1.91 -3.10 112.91 117.76 1hbm h THR 331 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1hbm h THR 331 Cb 1.37 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1hbm h THR 331 CO 0.62 0.00 -0.06 1.56 0.37 0.00 0.00 175.52 178.01 1hbm h GLN 332 N -0.62 0.00 -0.70 6.66 4.20 -1.94 0.13 115.11 122.84 1hbm h GLN 332 Ca -0.01 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.83 1hbm h GLN 332 Cb 0.57 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1hbm h GLN 332 CO -0.06 0.06 0.47 1.88 -0.67 0.00 0.00 178.83 180.51 1hbm h TYR 333 N 0.00 0.48 0.13 2.96 0.05 -1.93 -2.67 116.97 115.99 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 0.93 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 1hbm h TYR 333 CO 0.00 0.20 -1.89 0.00 -1.05 0.00 0.00 178.16 175.43 1hbm h ALA 334 N 1.66 0.38 0.00 3.88 0.00 -1.32 -3.38 119.26 120.49 1hbm h ALA 334 Ca 0.33 -1.32 -0.03 0.00 0.00 0.00 0.00 54.91 53.90 1hbm h ALA 334 Cb 0.71 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1hbm h ALA 334 CO -0.10 1.25 -0.14 1.79 0.00 0.00 0.00 179.25 182.05 1hbm h THR 335 N 0.08 1.07 -0.68 0.00 1.35 -0.93 -0.43 112.91 113.36 1hbm h THR 335 Ca -0.38 -0.48 0.20 0.00 -0.55 0.00 0.00 66.41 65.19 1hbm h THR 335 Cb 2.05 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 69.70 1hbm h THR 335 CO 0.12 0.14 0.54 0.00 -0.25 0.00 0.00 175.52 176.06 1hbm h ALA 336 N 1.86 2.57 -0.02 6.62 0.00 -1.65 -0.67 119.26 127.97 1hbm h ALA 336 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hbm h ALA 336 Cb 0.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hbm h ALA 336 CO 0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 179.25 178.27 1hbm n ALA 337 N -2.58 2.76 -1.86 0.00 0.00 -0.17 -4.35 120.51 114.31 1hbm n ALA 337 Ca 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 53.06 1hbm n ALA 337 Cb 0.80 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 19.23 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 0.28 0.00 -4.17 0.00 0.18 -0.34 -4.61 117.16 108.49 1hbm n TYR 338 Ca 0.15 -0.07 -0.15 0.00 1.88 0.00 0.00 57.90 59.71 1hbm n TYR 338 Cb 0.43 -0.05 -0.11 0.00 -0.38 0.00 0.00 39.34 39.22 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 -0.21 0.94 0.00 -3.48 -4.23 -0.68 -1.25 115.64 106.73 1hbm s THR 339 Ca 0.02 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1hbm s THR 339 Cb 0.02 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1hbm s THR 339 CO 0.00 -0.52 0.00 0.47 -0.54 0.00 0.00 174.62 174.03 1hbm n ASP 340 N 0.67 -4.45 -2.26 3.99 10.43 0.46 -3.23 116.55 122.15 1hbm n ASP 340 Ca -0.17 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.08 1hbm n ASP 340 Cb 0.57 -2.17 -0.01 0.00 1.84 0.00 0.00 41.12 41.35 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 -0.54 -3.58 0.02 -2.24 3.02 -1.26 -3.98 115.26 106.71 1hbm n ASN 341 Ca 0.00 0.23 -0.07 0.00 -0.03 0.00 0.00 54.58 54.70 1hbm n ASN 341 Cb 0.27 -3.11 -0.05 0.00 -0.61 0.00 0.00 39.78 36.28 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 0.58 -0.78 2.41 2.04 -1.89 -1.47 117.51 118.41 1hbm h ILE 342 Ca -0.27 -1.20 0.12 0.00 1.00 0.00 0.00 64.86 64.51 1hbm h ILE 342 Cb 1.13 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1hbm h ILE 342 CO 0.32 0.17 0.51 0.25 0.00 0.00 0.00 178.15 179.41 1hbm h LEU 343 N -0.98 0.56 -0.28 1.44 5.85 -1.82 -1.87 115.31 118.21 1hbm h LEU 343 Ca -0.02 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1hbm h LEU 343 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1hbm h LEU 343 CO 0.03 0.32 0.14 0.44 -0.34 0.00 0.00 178.44 179.03 1hbm h ASP 344 N 0.61 0.36 -0.42 1.25 5.19 -1.93 -0.71 116.42 120.77 1hbm h ASP 344 Ca 0.37 -0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.72 1hbm h ASP 344 Cb 0.60 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.97 1hbm h ASP 344 CO -0.14 0.37 0.16 -0.78 -3.12 0.00 0.00 179.24 175.73 1hbm h ASP 345 N 0.33 0.18 -0.30 6.45 1.82 -0.45 -1.13 116.42 123.32 1hbm h ASP 345 Ca 0.10 0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.67 1hbm h ASP 345 Cb 0.10 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1hbm h ASP 345 CO -0.01 0.14 -0.22 -0.26 -1.61 0.00 0.00 179.24 177.28 1hbm h PHE 346 N 0.33 0.89 0.02 0.28 0.05 -1.24 -2.41 116.94 114.86 1hbm h PHE 346 Ca 0.20 -0.20 -0.27 0.00 3.82 0.00 0.00 57.97 61.52 1hbm h PHE 346 Cb 0.17 -0.21 0.02 0.00 2.00 0.00 0.00 35.95 37.93 1hbm h PHE 346 CO -0.14 0.93 -1.07 1.15 -0.18 0.00 0.00 178.31 179.00 1hbm h THR 347 N 0.69 1.28 -0.98 -1.55 2.02 -0.90 -2.19 112.91 111.29 1hbm h THR 347 Ca 0.10 -2.29 0.03 0.00 0.77 0.00 0.00 66.41 65.02 1hbm h THR 347 Cb 0.73 2.42 -0.05 0.00 -1.74 0.00 0.00 68.15 69.51 1hbm h THR 347 CO 0.06 0.70 0.64 1.88 0.37 0.00 0.00 175.52 179.17 1hbm h TYR 348 N 0.37 1.21 -0.31 3.16 -1.99 -1.25 0.54 116.97 118.70 1hbm h TYR 348 Ca -0.14 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.68 1hbm h TYR 348 Cb 1.72 -0.40 -0.05 0.00 2.00 0.00 0.00 36.73 40.00 1hbm h TYR 348 CO 0.10 0.72 0.02 0.35 -0.00 0.00 0.00 178.16 179.35 1hbm h PHE 349 N 1.26 0.03 -0.42 4.88 3.57 -1.33 -0.99 116.94 123.95 1hbm h PHE 349 Ca 0.38 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.78 1hbm h PHE 349 Cb -0.05 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1hbm h PHE 349 CO -0.00 -0.03 -0.22 0.78 -2.23 0.00 0.00 178.31 176.61 1hbm h GLY 350 N 0.12 0.91 0.99 2.40 0.00 -0.90 -0.66 103.07 105.93 1hbm h GLY 350 Ca 0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1hbm h GLY 350 CO -0.23 0.72 0.31 1.70 0.00 0.00 0.00 176.54 179.04 1hbm h LYS 351 N 0.73 0.77 -0.66 4.80 3.11 -0.64 -1.39 116.57 123.29 1hbm h LYS 351 Ca 0.10 -0.09 -0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1hbm h LYS 351 Cb 0.75 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1hbm h LYS 351 CO 0.06 0.59 0.35 0.93 -2.81 0.00 0.00 179.45 178.57 1hbm h GLU 352 N 0.75 0.93 -0.25 1.90 5.08 -0.94 -1.19 114.58 120.86 1hbm h GLU 352 Ca 0.20 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1hbm h GLU 352 Cb 0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1hbm h GLU 352 CO -0.03 0.71 0.07 -0.92 -1.00 0.00 0.00 179.01 177.84 1hbm h TYR 353 N 0.91 0.13 -0.58 4.33 3.20 -0.72 -2.08 116.97 122.15 1hbm h TYR 353 Ca 0.23 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1hbm h TYR 353 Cb 0.06 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1hbm h TYR 353 CO -0.00 0.05 0.19 0.28 -1.64 0.00 0.00 178.16 177.05 1hbm h VAL 354 N 0.18 1.24 -0.58 1.81 2.07 -1.11 -1.62 116.25 118.23 1hbm h VAL 354 Ca 0.11 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 1hbm h VAL 354 Cb 0.09 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1hbm h VAL 354 CO -0.13 0.30 0.13 -0.08 0.02 0.00 0.00 177.57 177.82 1hbm h GLU 355 N 0.81 0.91 -0.02 1.57 4.81 -0.95 0.33 114.58 122.05 1hbm h GLU 355 Ca 0.19 -0.20 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1hbm h GLU 355 Cb 0.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1hbm h GLU 355 CO -0.01 0.82 -0.91 -0.44 -0.73 0.00 0.00 179.01 177.74 1hbm h ASP 356 N 0.87 0.54 0.08 1.04 3.32 -1.29 -2.69 116.42 118.30 1hbm h ASP 356 Ca 0.19 -0.42 -0.26 0.00 0.02 0.00 0.00 57.03 56.56 1hbm h ASP 356 Cb 0.33 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1hbm h ASP 356 CO 0.00 1.21 -1.39 0.50 -1.72 0.00 0.00 179.24 177.84 1hbm h LYS 357 N 0.25 0.18 0.00 3.56 3.64 -1.05 -3.43 116.57 119.71 1hbm h LYS 357 Ca -0.07 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 58.86 1hbm h LYS 357 Cb 1.53 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.44 1hbm h LYS 357 CO 0.16 1.14 -1.55 0.66 -2.27 0.00 0.00 179.45 177.59 1hbm n TYR 358 N -4.01 0.00 0.00 1.91 4.02 0.11 -5.09 117.16 114.09 1hbm n TYR 358 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 1hbm n TYR 358 Cb 0.85 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 2.82 -0.66 3.67 2.72 0.00 -0.69 -4.59 105.19 108.46 1hbm n GLY 359 Ca -0.15 -1.24 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.33 3.09 -0.17 0.99 4.77 -1.26 -1.70 117.00 122.39 1hbm n LEU 360 Ca 0.00 1.16 -0.02 0.00 -0.03 0.00 0.00 56.01 57.12 1hbm n LEU 360 Cb 0.00 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 39.65 1hbm n LEU 360 CO 0.00 -0.56 -0.02 0.00 -1.33 0.00 0.00 177.39 175.48 1hbm n GLU 362 N -0.74 1.31 -2.65 0.00 -0.58 -0.69 -4.69 120.64 112.60 1hbm n GLU 362 Ca -0.02 -0.82 -0.37 0.00 -0.42 0.00 0.00 57.16 55.53 1hbm n GLU 362 Cb 0.35 -1.12 -0.05 0.00 -0.57 0.00 0.00 31.44 30.04 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 -1.08 3.17 0.27 0.62 0.00 -0.59 -4.97 121.76 119.18 1hbm s ALA 363 Ca 0.10 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1hbm s ALA 363 Cb 0.08 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.82 1hbm s ALA 363 CO 0.18 -0.02 0.99 -2.30 0.00 0.00 0.00 175.76 174.61 1hbm n PRO 364 N 0.29 1.23 -2.71 0.00 -0.02 -1.26 -4.51 135.00 128.02 1hbm n PRO 364 Ca 0.03 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1hbm n PRO 364 Cb 0.50 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.37 5.11 -2.94 2.55 4.05 -1.26 -4.60 115.26 119.55 1hbm n ASN 365 Ca 0.11 -3.00 -0.13 0.00 0.45 0.00 0.00 54.58 52.01 1hbm n ASN 365 Cb 0.31 -1.57 -0.01 0.00 1.23 0.00 0.00 39.78 39.73 1hbm n ASN 365 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1hbm n ASN 366 N 5.47 -1.63 0.13 1.20 0.23 -1.26 -5.05 115.26 114.34 1hbm n ASN 366 Ca 0.39 -2.81 0.01 0.00 -0.53 0.00 0.00 54.58 51.64 1hbm n ASN 366 Cb 0.41 2.91 0.31 0.00 -2.08 0.00 0.00 39.78 41.33 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 -0.73 -3.83 1.85 -2.00 -2.59 114.93 107.80 1hbm h MET 367 Ca -0.29 -0.06 0.08 0.00 -0.61 0.00 0.00 59.70 58.82 1hbm h MET 367 Cb 1.20 -0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.16 1hbm h MET 367 CO 0.39 0.47 0.39 -0.44 -0.40 0.00 0.00 176.91 177.32 1hbm h ASP 368 N 0.15 0.54 -0.41 1.39 3.32 -1.97 0.55 116.42 119.99 1hbm h ASP 368 Ca 0.02 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1hbm h ASP 368 Cb 0.64 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1hbm h ASP 368 CO 0.05 0.32 -0.06 0.74 -1.72 0.00 0.00 179.24 178.57 1hbm h THR 369 N 0.68 1.27 -0.19 0.35 2.02 -1.72 -2.25 112.91 113.06 1hbm h THR 369 Ca 0.35 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.45 1hbm h THR 369 Cb 0.31 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1hbm h THR 369 CO -0.24 0.38 -0.12 0.58 0.37 0.00 0.00 175.52 176.49 1hbm h VAL 370 N 0.59 0.63 -0.55 3.16 2.07 -1.17 -0.91 116.25 120.07 1hbm h VAL 370 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1hbm h VAL 370 Cb 0.57 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1hbm h VAL 370 CO 0.03 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.90 1hbm h LEU 371 N -0.12 0.58 0.41 2.57 3.38 -0.85 -1.77 115.31 119.51 1hbm h LEU 371 Ca 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1hbm h LEU 371 Cb 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1hbm h LEU 371 CO -0.27 0.41 -0.20 -0.78 0.09 0.00 0.00 178.44 177.69 1hbm h ASP 372 N 0.69 -0.47 -0.22 -0.43 -0.00 -1.15 -3.06 116.42 111.78 1hbm h ASP 372 Ca 0.21 0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.21 1hbm h ASP 372 Cb -0.02 0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.42 1hbm h ASP 372 CO -0.07 -0.34 -0.04 0.58 -0.00 0.00 0.00 179.24 179.37 1hbm h VAL 373 N -0.56 1.28 -0.15 2.25 2.07 -1.19 -2.18 116.25 117.77 1hbm h VAL 373 Ca -0.06 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 1hbm h VAL 373 Cb 0.43 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1hbm h VAL 373 CO 0.09 0.31 -0.32 0.00 0.02 0.00 0.00 177.57 177.67 1hbm h ALA 374 N 0.76 1.18 0.06 1.67 0.00 -1.47 -1.87 119.26 119.59 1hbm h ALA 374 Ca 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1hbm h ALA 374 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hbm h ALA 374 CO 0.02 0.54 -0.03 1.15 0.00 0.00 0.00 179.25 180.93 1hbm h THR 375 N 0.26 1.19 -0.20 0.00 2.02 -1.49 -1.68 112.91 113.00 1hbm h THR 375 Ca 0.03 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1hbm h THR 375 Cb 0.70 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 1hbm h THR 375 CO 0.05 0.22 -0.13 -0.08 0.37 0.00 0.00 175.52 175.96 1hbm h GLU 376 N -0.49 -0.11 -0.48 6.66 4.57 -1.24 -1.11 114.58 122.37 1hbm h GLU 376 Ca -0.01 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1hbm h GLU 376 Cb 0.43 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1hbm h GLU 376 CO 0.01 -0.08 -0.18 0.28 -1.18 0.00 0.00 179.01 177.87 1hbm h VAL 377 N -0.12 1.27 -0.46 0.32 2.07 -1.39 -1.88 116.25 116.06 1hbm h VAL 377 Ca 0.12 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1hbm h VAL 377 Cb 0.29 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1hbm h VAL 377 CO -0.28 0.46 0.23 0.74 0.02 0.00 0.00 177.57 178.74 1hbm h THR 378 N 0.84 0.95 -0.66 2.57 2.02 -1.05 -1.54 112.91 116.04 1hbm h THR 378 Ca 0.12 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1hbm h THR 378 Cb 0.74 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1hbm h THR 378 CO 0.06 0.08 0.22 -0.26 0.37 0.00 0.00 175.52 175.99 1hbm h PHE 379 N 0.45 1.01 -0.07 3.16 0.05 -1.07 -1.94 116.94 118.53 1hbm h PHE 379 Ca 0.20 -0.08 0.02 0.00 3.82 0.00 0.00 57.97 61.94 1hbm h PHE 379 Cb 0.12 -0.30 -0.03 0.00 2.00 0.00 0.00 35.95 37.74 1hbm h PHE 379 CO -0.11 0.80 -0.08 -0.92 -0.18 0.00 0.00 178.31 177.82 1hbm h TYR 380 N 0.96 -0.21 -0.45 -0.55 3.20 -1.04 -1.70 116.97 117.19 1hbm h TYR 380 Ca 0.22 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 1hbm h TYR 380 Cb 0.25 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1hbm h TYR 380 CO 0.02 -0.13 0.03 0.78 -1.64 0.00 0.00 178.16 177.22 1hbm h GLY 381 N -0.11 0.83 1.79 1.82 0.00 -0.95 -2.88 103.07 103.57 1hbm h GLY 381 Ca 0.06 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 1hbm h GLY 381 CO -0.14 0.54 -0.54 1.41 0.00 0.00 0.00 176.54 177.82 1hbm h LEU 382 N 0.62 0.24 -1.51 3.11 3.38 -1.31 -2.08 115.31 117.77 1hbm h LEU 382 Ca 0.13 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1hbm h LEU 382 Cb 0.45 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1hbm h LEU 382 CO 0.02 0.74 0.41 -0.33 0.09 0.00 0.00 178.44 179.36 1hbm h GLU 383 N 0.17 0.57 -0.52 1.13 5.08 -1.20 -2.52 114.58 117.29 1hbm h GLU 383 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1hbm h GLU 383 Cb 1.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1hbm h GLU 383 CO 0.08 0.38 0.07 1.96 -1.00 0.00 0.00 179.01 180.51 1hbm h GLN 384 N 0.59 0.82 -0.02 2.33 1.08 -1.16 0.10 115.11 118.86 1hbm h GLN 384 Ca 0.27 -0.19 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1hbm h GLN 384 Cb 0.30 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1hbm h GLN 384 CO -0.08 0.78 -0.43 1.88 -0.95 0.00 0.00 178.83 180.03 1hbm h TYR 385 N 0.78 0.06 0.13 2.96 -1.99 -1.45 -0.77 116.97 116.70 1hbm h TYR 385 Ca 0.16 -0.01 -0.29 0.00 2.00 0.00 0.00 58.73 60.59 1hbm h TYR 385 Cb 0.37 -0.01 0.02 0.00 2.00 0.00 0.00 36.73 39.10 1hbm h TYR 385 CO 0.02 0.47 -1.25 0.93 -0.00 0.00 0.00 178.16 178.33 1hbm h GLU 386 N 0.04 0.44 -0.00 4.88 5.08 -1.07 -3.32 114.58 120.62 1hbm h GLU 386 Ca 0.00 -0.65 -0.19 0.00 -1.00 0.00 0.00 59.36 57.52 1hbm h GLU 386 Cb 0.77 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1hbm h GLU 386 CO 0.06 1.29 -0.84 1.49 -1.00 0.00 0.00 179.01 180.00 1hbm h GLU 387 N 0.16 0.17 -4.14 2.33 4.81 -0.70 -3.41 114.58 113.81 1hbm h GLU 387 Ca -0.16 -0.18 -0.65 0.00 -0.13 0.00 0.00 59.36 58.23 1hbm h GLU 387 Cb 1.94 0.05 -0.40 0.00 0.63 0.00 0.00 28.75 30.96 1hbm h GLU 387 CO 0.22 0.92 -0.68 0.71 -0.73 0.00 0.00 179.01 179.45 1hbm s TYR 388 N -3.25 3.52 0.40 0.92 2.02 -0.31 -4.63 117.35 116.02 1hbm s TYR 388 Ca -0.03 -3.08 0.15 0.00 -0.37 0.00 0.00 57.07 53.74 1hbm s TYR 388 Cb 0.10 -2.88 1.00 0.00 -0.40 0.00 0.00 41.96 39.78 1hbm s TYR 388 CO 0.82 -0.86 1.87 -1.35 -1.57 0.00 0.00 175.55 174.46 1hbm h PRO 389 N 7.14 0.48 -0.57 -1.71 0.11 -1.68 0.12 132.00 135.89 1hbm h PRO 389 Ca -0.06 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1hbm h PRO 389 Cb 0.97 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 1hbm h PRO 389 CO 0.59 0.32 0.32 0.00 -0.21 0.00 0.00 178.00 179.02 1hbm h ALA 390 N 1.62 1.49 -0.42 -0.75 0.00 -1.70 -1.18 119.26 118.32 1hbm h ALA 390 Ca 0.45 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1hbm h ALA 390 Cb 0.99 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1hbm h ALA 390 CO -0.18 0.43 0.04 1.25 0.00 0.00 0.00 179.25 180.78 1hbm h LEU 391 N 0.79 0.69 -0.99 0.00 5.85 -1.22 -1.96 115.31 118.45 1hbm h LEU 391 Ca 0.20 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1hbm h LEU 391 Cb 0.01 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1hbm h LEU 391 CO -0.03 0.80 -0.21 0.25 -0.34 0.00 0.00 178.44 178.90 1hbm h LEU 392 N 0.55 0.47 -0.99 2.25 5.85 -1.21 -1.79 115.31 120.44 1hbm h LEU 392 Ca 0.12 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1hbm h LEU 392 Cb 0.42 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1hbm h LEU 392 CO 0.01 0.69 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.32 1hbm h GLU 393 N 0.43 0.00 0.38 1.25 4.81 -1.19 -3.21 114.58 117.04 1hbm h GLU 393 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1hbm h GLU 393 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1hbm h GLU 393 CO 0.04 0.41 -0.18 0.22 -0.73 0.00 0.00 179.01 178.77 1hbm h ASP 394 N 0.00 -0.43 -1.89 1.04 3.58 -1.02 -3.35 116.42 114.35 1hbm h ASP 394 Ca -0.00 0.01 -0.75 0.00 0.42 0.00 0.00 57.03 56.71 1hbm h ASP 394 Cb 0.88 0.11 -0.18 0.00 1.72 0.00 0.00 39.33 41.86 1hbm h ASP 394 CO 0.05 0.01 1.61 0.00 -2.88 0.00 0.00 179.24 178.03 1hbm n GLN 395 N -5.10 3.58 0.19 0.28 6.02 -0.70 -4.79 117.38 116.85 1hbm n GLN 395 Ca -0.06 -3.77 0.08 0.00 -0.01 0.00 0.00 57.00 53.24 1hbm n GLN 395 Cb 0.20 -2.93 0.17 0.00 1.02 0.00 0.00 30.24 28.71 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 6.31 0.00 -3.24 1.08 -5.15 -1.69 -3.43 116.94 110.81 1hbm h PHE 396 Ca 0.34 0.00 -0.58 0.00 -0.20 0.00 0.00 57.97 57.53 1hbm h PHE 396 Cb 0.73 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.84 1hbm h PHE 396 CO 1.15 0.24 -0.10 0.20 -2.00 0.00 0.00 178.31 177.81 1hbm s GLY 397 N -4.33 2.51 0.35 6.09 0.00 -1.26 -4.97 107.32 105.72 1hbm s GLY 397 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.70 1hbm s GLY 397 CO 0.69 0.60 1.98 -1.33 0.00 0.00 0.00 173.10 175.04 1hbm h GLY 398 N 5.73 0.94 -1.90 0.20 0.00 -1.85 -2.98 103.07 103.22 1hbm h GLY 398 Ca -0.45 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1hbm h GLY 398 CO 0.69 0.28 0.00 1.44 0.00 0.00 0.00 176.54 178.96 1hbm n SER 399 N -4.46 0.01 0.00 0.19 7.64 -1.23 -0.98 113.62 114.79 1hbm n SER 399 Ca 0.09 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1hbm n SER 399 Cb 0.13 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.95 0.00 -0.14 1.43 1.74 -1.13 -1.67 116.66 117.84 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 0.54 -0.53 7.54 0.00 -1.35 0.10 119.26 125.56 1hbm h ALA 402 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1hbm h ALA 402 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hbm h ALA 402 CO 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 179.25 179.09 1hbm h ALA 403 N 1.19 0.87 0.18 0.00 0.00 -1.56 -1.87 119.26 118.07 1hbm h ALA 403 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1hbm h ALA 403 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1hbm h ALA 403 CO -0.09 0.65 -0.08 0.28 0.00 0.00 0.00 179.25 180.01 1hbm h VAL 404 N 0.86 0.94 -0.72 0.00 2.07 -1.78 -1.31 116.25 116.32 1hbm h VAL 404 Ca 0.14 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1hbm h VAL 404 Cb 0.61 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1hbm h VAL 404 CO 0.04 0.16 0.42 0.58 0.02 0.00 0.00 177.57 178.80 1hbm h VAL 405 N -0.60 1.21 -0.03 2.57 2.07 -0.99 -2.64 116.25 117.83 1hbm h VAL 405 Ca -0.02 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.88 1hbm h VAL 405 Cb 0.45 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1hbm h VAL 405 CO 0.04 0.22 -0.65 0.00 0.02 0.00 0.00 177.57 177.20 1hbm h ALA 406 N 1.22 0.87 -0.36 1.67 0.00 -1.36 -1.67 119.26 119.63 1hbm h ALA 406 Ca 0.26 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hbm h ALA 406 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hbm h ALA 406 CO -0.05 0.79 0.21 0.00 0.00 0.00 0.00 179.25 180.20 1hbm h ALA 407 N 1.26 0.46 -0.64 0.00 0.00 -1.07 0.28 119.26 119.54 1hbm h ALA 407 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1hbm h ALA 407 Cb 1.16 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1hbm h ALA 407 CO 0.09 -0.04 0.40 0.00 0.00 0.00 0.00 179.25 179.70 1hbm h ALA 408 N 1.09 0.83 -0.50 0.00 0.00 -1.31 -0.33 119.26 119.05 1hbm h ALA 408 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1hbm h ALA 408 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1hbm h ALA 408 CO -0.02 0.16 0.08 0.00 0.00 0.00 0.00 179.25 179.47 1hbm h ALA 409 N 1.27 0.66 -0.07 0.00 0.00 -0.99 -0.94 119.26 119.20 1hbm h ALA 409 Ca 0.26 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1hbm h ALA 409 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1hbm h ALA 409 CO -0.10 0.40 -0.92 0.78 0.00 0.00 0.00 179.25 179.41 1hbm h GLY 410 N 0.70 0.79 0.97 0.00 0.00 -0.31 -1.70 103.07 103.53 1hbm h GLY 410 Ca 0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.19 1hbm h GLY 410 CO 0.01 1.12 0.22 0.00 0.00 0.00 0.00 176.54 177.89 1hbm h SER 412 N 0.62 0.94 -0.50 0.00 0.02 -1.16 0.80 113.55 114.27 1hbm h SER 412 Ca 0.16 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1hbm h SER 412 Cb 0.14 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1hbm h SER 412 CO -0.02 0.73 0.30 0.74 -1.14 0.00 0.00 176.83 177.45 1hbm h THR 413 N 1.07 1.15 -0.25 -2.27 2.02 -1.06 -2.43 112.91 111.13 1hbm h THR 413 Ca 0.28 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1hbm h THR 413 Cb -0.03 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1hbm h THR 413 CO -0.05 0.15 -0.13 0.00 0.37 0.00 0.00 175.52 175.86 1hbm h ALA 414 N 1.15 1.31 -0.84 6.16 0.00 -1.01 -2.16 119.26 123.87 1hbm h ALA 414 Ca 0.18 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1hbm h ALA 414 Cb -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1hbm h ALA 414 CO -0.03 0.46 0.54 0.74 0.00 0.00 0.00 179.25 180.96 1hbm h PHE 415 N 0.40 0.82 -0.08 0.00 0.05 -0.54 0.53 116.94 118.11 1hbm h PHE 415 Ca 0.08 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.83 1hbm h PHE 415 Cb 0.46 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 38.15 1hbm h PHE 415 CO 0.01 0.36 -0.19 0.00 -0.18 0.00 0.00 178.31 178.31 1hbm h ALA 416 N 1.59 0.13 0.00 2.45 0.00 -1.02 0.12 119.26 122.53 1hbm h ALA 416 Ca 0.40 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1hbm h ALA 416 Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1hbm h ALA 416 CO -0.16 0.08 -1.30 0.25 0.00 0.00 0.00 179.25 178.11 1hbm n THR 417 N -4.55 0.91 -1.79 0.00 -2.24 -0.85 -1.55 114.28 104.22 1hbm n THR 417 Ca -0.08 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1hbm n THR 417 Cb 0.41 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 1hbm n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hbm n GLY 418 N 1.31 0.45 2.82 3.38 0.00 0.16 -4.78 105.19 108.53 1hbm n GLY 418 Ca -0.06 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.73 0.10 0.42 1.61 3.84 -1.25 -4.81 114.94 112.12 1hbm s ASN 419 Ca 0.00 0.14 0.20 0.00 0.21 0.00 0.00 52.86 53.41 1hbm s ASN 419 Cb 0.00 0.02 0.93 0.00 -0.55 0.00 0.00 41.25 41.65 1hbm s ASN 419 CO 0.00 -0.15 1.86 0.00 -2.79 0.00 0.00 177.10 176.03 1hbm h ALA 420 N 7.39 1.19 -0.19 1.71 0.00 -1.91 -3.11 119.26 124.34 1hbm h ALA 420 Ca -0.42 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 1hbm h ALA 420 Cb 1.13 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1hbm h ALA 420 CO 0.43 0.36 -0.66 0.37 0.00 0.00 0.00 179.25 179.75 1hbm h GLN 421 N 0.00 0.78 -0.02 0.00 5.75 -1.96 -1.38 115.11 118.28 1hbm h GLN 421 Ca -0.00 -0.59 -0.11 0.00 -0.15 0.00 0.00 58.65 57.79 1hbm h GLN 421 Cb 0.65 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 1hbm h GLN 421 CO 0.04 1.21 -0.52 1.79 -2.65 0.00 0.00 178.83 178.69 1hbm h THR 422 N 0.52 1.37 -0.52 2.39 1.35 -1.96 -2.36 112.91 113.70 1hbm h THR 422 Ca -0.03 -1.80 0.09 0.00 -0.55 0.00 0.00 66.41 64.13 1hbm h THR 422 Cb 1.29 1.95 -0.08 0.00 -1.73 0.00 0.00 68.15 69.58 1hbm h THR 422 CO 0.14 0.52 0.08 1.23 -0.25 0.00 0.00 175.52 177.24 1hbm h GLY 423 N 1.53 0.62 1.34 5.82 0.00 -1.45 -1.26 103.07 109.67 1hbm h GLY 423 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1hbm h GLY 423 CO 0.07 -0.10 -0.02 -2.00 0.00 0.00 0.00 176.54 174.50 1hbm h LEU 424 N 0.21 0.77 -0.54 3.11 5.85 -0.99 -1.50 115.31 122.23 1hbm h LEU 424 Ca 0.26 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1hbm h LEU 424 Cb 0.38 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1hbm h LEU 424 CO -0.36 0.85 0.25 -1.28 -0.34 0.00 0.00 178.44 177.56 1hbm h SER 425 N 0.75 0.72 -0.89 1.25 0.87 -1.02 -2.08 113.55 113.15 1hbm h SER 425 Ca 0.14 -0.14 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1hbm h SER 425 Cb 0.48 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.18 1hbm h SER 425 CO 0.02 0.66 0.53 1.23 -0.53 0.00 0.00 176.83 178.74 1hbm h GLY 426 N 0.73 1.39 0.39 5.77 0.00 -0.88 -1.94 103.07 108.53 1hbm h GLY 426 Ca 0.18 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.22 1hbm h GLY 426 CO -0.02 0.16 -0.07 -0.25 0.00 0.00 0.00 176.54 176.36 1hbm h TRP 427 N 0.88 -0.15 -0.30 5.60 2.91 -0.60 -2.22 115.95 122.06 1hbm h TRP 427 Ca 0.43 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.40 1hbm h TRP 427 Cb 0.37 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1hbm h TRP 427 CO -0.04 -0.13 -0.10 1.88 -1.03 0.00 0.00 178.44 179.02 1hbm h TYR 428 N 0.01 0.69 -0.77 2.65 -1.99 -1.11 -2.89 116.97 113.56 1hbm h TYR 428 Ca 0.15 -0.16 0.10 0.00 2.00 0.00 0.00 58.73 60.82 1hbm h TYR 428 Cb 0.22 -0.16 -0.08 0.00 2.00 0.00 0.00 36.73 38.72 1hbm h TYR 428 CO -0.29 0.81 0.40 1.25 -0.00 0.00 0.00 178.16 180.33 1hbm h LEU 429 N 0.37 0.53 -0.65 3.88 5.85 -1.31 -1.39 115.31 122.58 1hbm h LEU 429 Ca 0.07 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1hbm h LEU 429 Cb 0.61 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 1hbm h LEU 429 CO 0.04 0.29 0.17 -1.28 -0.34 0.00 0.00 178.44 177.32 1hbm h SER 430 N 0.66 0.07 -0.44 1.25 0.87 -1.26 -1.28 113.55 113.43 1hbm h SER 430 Ca 0.38 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1hbm h SER 430 Cb 0.42 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1hbm h SER 430 CO -0.28 0.03 0.27 0.24 -0.53 0.00 0.00 176.83 176.56 1hbm h MET 431 N 0.31 0.59 -0.39 2.24 2.86 -1.06 -0.67 114.93 118.80 1hbm h MET 431 Ca 0.35 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 1hbm h MET 431 Cb 0.52 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1hbm h MET 431 CO -0.41 0.42 0.08 1.88 1.06 0.00 0.00 176.91 179.94 1hbm h TYR 432 N 0.59 0.66 -0.32 -0.22 0.99 -0.93 -0.61 116.97 117.13 1hbm h TYR 432 Ca 0.16 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.82 1hbm h TYR 432 Cb -0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 37.50 1hbm h TYR 432 CO -0.04 0.65 0.19 -0.07 -0.00 0.00 0.00 178.16 178.89 1hbm h LEU 433 N 0.48 0.31 -0.15 3.88 3.38 -1.16 -2.84 115.31 119.22 1hbm h LEU 433 Ca 0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1hbm h LEU 433 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1hbm h LEU 433 CO 0.00 0.23 0.06 -0.74 0.09 0.00 0.00 178.44 178.08 1hbm h HIS 434 N 0.39 0.10 -0.81 1.13 2.76 -1.00 -0.10 115.15 117.63 1hbm h HIS 434 Ca 0.13 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.40 1hbm h HIS 434 Cb -0.01 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 28.86 1hbm h HIS 434 CO -0.07 0.05 0.45 -0.22 -1.30 0.00 0.00 177.93 176.84 1hbm h LYS 435 N 0.13 0.73 -0.07 5.26 3.64 -1.10 -2.23 116.57 122.93 1hbm h LYS 435 Ca 0.06 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 1hbm h LYS 435 Cb 0.03 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1hbm h LYS 435 CO -0.06 0.48 -0.76 0.93 -2.27 0.00 0.00 179.45 177.77 1hbm h GLU 436 N 0.75 0.42 0.14 1.90 4.39 -1.18 -1.54 114.58 119.46 1hbm h GLU 436 Ca 0.40 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1hbm h GLU 436 Cb 0.39 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1hbm h GLU 436 CO -0.26 1.00 -0.07 0.37 -1.16 0.00 0.00 179.01 178.90 1hbm h GLN 437 N 0.28 -0.18 -0.24 2.33 4.15 -0.65 -3.30 115.11 117.51 1hbm h GLN 437 Ca -0.04 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1hbm h GLN 437 Cb 1.35 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1hbm h GLN 437 CO 0.13 0.01 0.00 0.72 -1.93 0.00 0.00 178.83 177.76 1hbm n HIS 438 N -5.10 0.29 -3.87 3.99 8.25 -0.87 -4.96 115.22 112.96 1hbm n HIS 438 Ca -0.09 -0.17 -0.30 0.00 -0.26 0.00 0.00 57.72 56.90 1hbm n HIS 438 Cb 0.15 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 1.21 -4.62 -3.53 0.41 2.88 -0.59 -4.93 113.62 104.45 1hbm n SER 439 Ca 0.15 -0.75 -0.08 0.00 -1.33 0.00 0.00 58.87 56.87 1hbm n SER 439 Cb 0.53 -3.71 -0.02 0.00 -0.75 0.00 0.00 64.21 60.26 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 -6.57 0.68 0.00 -1.46 1.70 -1.15 -5.05 118.95 107.10 1hbm s ARG 440 Ca 0.64 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 1hbm s ARG 440 Cb -0.33 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.37 1hbm s ARG 440 CO 0.79 -0.29 0.00 -0.11 -1.08 0.00 0.00 175.30 174.61 1hbm n LEU 441 N -0.16 0.00 0.00 -1.89 7.94 -1.26 -3.96 117.00 117.67 1hbm n LEU 441 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 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 0.10 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.99 1hbm n GLY 442 N 0.00 5.49 3.58 -3.96 0.00 -1.26 -3.56 105.19 105.48 1hbm n GLY 442 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 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 1.80 0.75 -1.00 1.61 -0.12 -1.26 -4.74 117.98 115.02 1hbm s PHE 443 Ca 0.00 0.62 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1hbm s PHE 443 Cb 0.00 -3.36 0.00 0.00 -0.63 0.00 0.00 43.02 39.03 1hbm s PHE 443 CO 0.00 -3.79 0.00 0.98 -0.05 0.00 0.00 175.22 172.37 1hbm n TYR 444 N -4.73 0.00 0.00 3.49 -0.00 -1.26 -4.64 117.16 110.02 1hbm n TYR 444 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1hbm n TYR 444 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 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 -0.26 0.00 -1.30 2.98 9.36 -1.26 -4.97 117.16 121.71 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 0.18 5.35 0.21 2.98 5.75 -1.26 -4.42 116.55 125.33 1hbm n ASP 447 Ca 0.00 -3.70 -0.15 0.00 -0.01 0.00 0.00 54.79 50.94 1hbm n ASP 447 Cb 0.00 -0.88 -0.07 0.00 -1.03 0.00 0.00 41.12 39.14 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 1.44 -0.72 -1.08 -2.12 6.46 -1.93 -1.27 115.31 116.08 1hbm h LEU 448 Ca 0.60 0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 58.33 1hbm h LEU 448 Cb 1.95 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 42.10 1hbm h LEU 448 CO 1.27 -0.41 -0.45 0.06 -0.62 0.00 0.00 178.44 178.29 1hbm h GLN 449 N -0.62 0.03 0.00 1.25 3.07 -1.77 -3.03 115.11 114.04 1hbm h GLN 449 Ca -0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 1hbm h GLN 449 Cb 0.55 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1hbm h GLN 449 CO -0.02 0.47 -0.38 -0.44 0.09 0.00 0.00 178.83 178.55 1hbm h ASP 450 N 0.02 0.00 -0.10 0.06 5.19 -1.72 0.26 116.42 120.13 1hbm h ASP 450 Ca -0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1hbm h ASP 450 Cb 0.80 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 1hbm h ASP 450 CO 0.06 0.38 0.08 0.00 -3.12 0.00 0.00 179.24 176.64 1hbm n GLN 451 N -3.44 1.15 0.00 3.56 1.13 -0.51 -4.18 117.38 115.09 1hbm n GLN 451 Ca 0.00 -0.32 0.00 0.00 -1.94 0.00 0.00 57.00 54.75 1hbm n GLN 451 Cb 0.54 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.77 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 0.97 1.48 0.17 1.08 0.00 0.90 -4.76 105.19 105.04 1hbm n GLY 453 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 0.29 -0.22 4.61 0.00 -1.86 -1.25 119.26 120.84 1hbm h ALA 454 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1hbm h ALA 454 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hbm h ALA 454 CO 0.00 -0.44 -0.09 1.03 0.00 0.00 0.00 179.25 179.75 1hbm h SER 455 N 0.02 0.33 0.28 0.00 0.87 -1.95 -2.97 113.55 110.14 1hbm h SER 455 Ca 0.19 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1hbm h SER 455 Cb 0.29 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1hbm h SER 455 CO -0.39 0.45 -0.20 0.59 -0.53 0.00 0.00 176.83 176.76 1hbm n ASN 456 N -4.27 0.82 -0.03 6.23 3.02 -0.57 -3.66 115.26 116.80 1hbm n ASN 456 Ca 0.00 -0.77 -0.10 0.00 -0.03 0.00 0.00 54.58 53.67 1hbm n ASN 456 Cb 0.26 0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.98 1.05 -0.21 2.41 2.07 -1.13 -3.29 116.25 118.14 1hbm h VAL 457 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1hbm h VAL 457 Cb 0.45 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1hbm h VAL 457 CO 0.00 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.13 1hbm n PHE 458 N -4.96 0.28 -1.73 1.57 3.01 -1.26 -4.82 117.46 109.54 1hbm n PHE 458 Ca -0.04 -0.51 -0.35 0.00 1.01 0.00 0.00 57.45 57.56 1hbm n PHE 458 Cb 0.03 -0.04 0.06 0.00 -0.01 0.00 0.00 39.48 39.52 1hbm n PHE 458 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1hbm s SER 459 N -1.02 4.72 0.00 4.37 0.15 -1.24 -4.95 113.70 115.73 1hbm s SER 459 Ca 0.14 2.38 0.06 0.00 0.70 0.00 0.00 55.95 59.22 1hbm s SER 459 Cb 0.07 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.94 1hbm s SER 459 CO 0.09 -1.91 1.10 2.30 1.20 0.00 0.00 173.24 176.02 1hbm n ILE 460 N -2.13 0.92 -1.64 6.45 -6.64 -1.26 -3.81 119.36 111.25 1hbm n ILE 460 Ca 0.14 -0.96 -0.31 0.00 -1.77 0.00 0.00 62.75 59.84 1hbm n ILE 460 Cb 0.50 0.55 0.04 0.00 -1.44 0.00 0.00 39.64 39.29 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 -0.96 2.97 0.13 6.28 0.52 -1.26 -4.53 118.95 122.10 1hbm s ARG 461 Ca 0.12 1.01 -0.25 0.00 -0.52 0.00 0.00 55.73 56.09 1hbm s ARG 461 Cb 0.06 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.48 1hbm s ARG 461 CO 0.08 -1.07 1.42 0.41 0.02 0.00 0.00 175.30 176.16 1hbm n GLY 462 N -1.76 -2.68 1.27 -3.53 0.00 -1.26 -0.47 105.19 96.76 1hbm n GLY 462 Ca 0.08 1.06 0.08 0.00 0.00 0.00 0.00 46.02 47.25 1hbm n GLY 462 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hbm n ASP 463 N -4.80 4.26 -0.09 1.61 5.75 -1.26 -4.48 116.55 117.54 1hbm n ASP 463 Ca 0.02 -2.48 -0.18 0.00 -0.01 0.00 0.00 54.79 52.14 1hbm n ASP 463 Cb 0.21 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 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 0.68 0.38 -2.85 0.11 1.02 -0.54 -4.70 120.64 114.75 1hbm n GLU 464 Ca 0.22 0.16 -0.41 0.00 -0.02 0.00 0.00 57.16 57.11 1hbm n GLU 464 Cb 0.81 -1.15 -0.04 0.00 -0.02 0.00 0.00 31.44 31.04 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 -5.35 2.44 -0.29 0.62 0.00 0.38 -4.83 107.32 100.28 1hbm s GLY 465 Ca -0.25 0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.54 1hbm s GLY 465 CO 0.32 1.62 1.01 1.08 0.00 0.00 0.00 173.10 177.12 1hbm s LEU 466 N 1.59 -0.47 0.41 0.66 1.43 -1.26 -4.85 118.68 116.19 1hbm s LEU 466 Ca 0.43 0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 54.07 1hbm s LEU 466 Cb -0.18 1.71 -0.13 0.00 0.03 0.00 0.00 46.19 47.62 1hbm s LEU 466 CO 0.18 -0.12 0.60 -2.65 0.23 0.00 0.00 176.35 174.58 1hbm n PRO 467 N 3.47 0.63 0.03 1.29 -0.02 -1.26 -4.86 135.00 134.30 1hbm n PRO 467 Ca -0.18 0.23 0.05 0.00 -2.02 0.00 0.00 63.50 61.58 1hbm n PRO 467 Cb 0.57 -1.54 0.46 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.91 0.40 -1.73 2.45 5.85 -1.94 -2.20 115.31 119.04 1hbm h LEU 468 Ca -0.40 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1hbm h LEU 468 Cb 1.39 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1hbm h LEU 468 CO 0.52 0.29 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.49 1hbm h GLU 469 N 0.47 0.05 0.00 1.25 3.07 -1.94 -1.57 114.58 115.91 1hbm h GLU 469 Ca 0.13 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1hbm h GLU 469 Cb -0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1hbm h GLU 469 CO -0.03 0.15 -0.53 -0.07 -1.40 0.00 0.00 179.01 177.13 1hbm h LEU 470 N 0.05 0.00-10.32 1.33 4.07 -1.76 -1.55 115.31 107.13 1hbm h LEU 470 Ca 0.01 -0.04 -0.47 0.00 0.08 0.00 0.00 57.88 57.46 1hbm h LEU 470 Cb 0.20 0.00 0.16 0.00 1.08 0.00 0.00 40.66 42.10 1hbm h LEU 470 CO 0.01 0.02 0.21 -0.13 -1.08 0.00 0.00 178.44 177.47 1hbm s ARG 471 N -3.26 0.81 0.00 1.13 0.52 -0.59 -4.75 118.95 112.80 1hbm s ARG 471 Ca 0.04 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 1hbm s ARG 471 Cb 0.09 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.80 1hbm s ARG 471 CO 0.72 -2.54 0.00 0.41 0.02 0.00 0.00 175.30 173.92 1hbm n GLY 472 N -0.86 1.86 0.15 -3.53 0.00 -1.26 -0.85 105.19 100.70 1hbm n GLY 472 Ca 0.06 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 0.17 0.00 1.61 -0.02 -1.25 -1.62 135.00 133.89 1hbm n PRO 473 Ca 0.00 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1hbm n PRO 473 Cb 0.00 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.28 1.94 -4.66 2.55 5.15 -1.23 -3.77 115.26 112.96 1hbm n ASN 474 Ca 0.00 -1.46 -0.46 0.00 -0.60 0.00 0.00 54.58 52.06 1hbm n ASN 474 Cb 0.13 0.45 -0.04 0.00 -0.53 0.00 0.00 39.78 39.79 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 -0.08 2.22 -0.12 1.20 9.36 -0.64 -4.83 117.16 124.26 1hbm n TYR 475 Ca 0.09 0.30 -0.05 0.00 3.32 0.00 0.00 57.90 61.56 1hbm n TYR 475 Cb 0.46 -2.53 0.01 0.00 -0.63 0.00 0.00 39.34 36.66 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 5.80 -0.03 0.00 2.98 0.11 -1.90 0.17 132.00 139.14 1hbm h PRO 476 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1hbm h PRO 476 Cb 1.26 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1hbm h PRO 476 CO 0.88 -0.02 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.66 1hbm h ASN 477 N -0.03 0.00 -0.11 -2.05 -0.26 -1.91 -2.85 115.58 108.37 1hbm h ASN 477 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1hbm h ASN 477 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1hbm h ASN 477 CO -0.43 0.08 0.00 -1.22 -1.06 0.00 0.00 177.43 174.79 1hbm n TYR 478 N -3.43 0.12 0.98 1.19 0.53 0.59 -4.21 117.16 112.94 1hbm n TYR 478 Ca -0.02 -0.06 0.11 0.00 -1.02 0.00 0.00 57.90 56.92 1hbm n TYR 478 Cb 0.22 0.00 0.55 0.00 -1.03 0.00 0.00 39.34 39.08 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 0.79 2.14 0.00 -0.72 0.00 -1.08 -4.06 120.51 117.58 1hbm n ALA 479 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1hbm n ALA 479 Cb 0.47 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.36 3.52 -4.89 0.00 2.81 -1.26 -4.98 117.12 110.96 1hbm n MET 480 Ca 0.09 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.68 1hbm n MET 480 Cb 0.21 -0.98 -0.15 0.00 -0.71 0.00 0.00 33.22 31.60 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 -2.99 3.19 1.10 7.83 0.02 -1.26 -5.06 114.94 117.77 1hbm s ASN 481 Ca 0.00 -0.59 -0.13 0.00 -1.02 0.00 0.00 52.86 51.12 1hbm s ASN 481 Cb 0.00 -0.30 0.24 0.00 0.02 0.00 0.00 41.25 41.21 1hbm s ASN 481 CO 0.00 0.26 1.06 0.68 0.02 0.00 0.00 177.10 179.12 1hbm s VAL 482 N -0.81 1.95 -1.26 1.60 -7.23 -1.26 -4.31 120.40 109.08 1hbm s VAL 482 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1hbm s VAL 482 Cb -0.10 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1hbm s VAL 482 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1hbm n GLY 483 N -0.35 -0.02 1.34 2.32 0.00 -1.26 -4.84 105.19 102.39 1hbm n GLY 483 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.84 0.00 0.05 1.61 -0.00 -1.26 -4.55 115.22 107.23 1hbm n HIS 484 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.43 1hbm n HIS 484 Cb 0.61 0.30 -0.08 0.00 -0.00 0.00 0.00 29.99 30.82 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 -0.07 -0.90 -0.41 4.20 -1.88 -0.32 115.11 115.73 1hbm h GLN 485 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1hbm h GLN 485 Cb 0.19 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.92 1hbm h GLN 485 CO 0.00 0.10 0.55 0.78 -0.67 0.00 0.00 178.83 179.59 1hbm h GLY 486 N -0.22 1.41 1.56 3.46 0.00 -1.89 -2.24 103.07 105.15 1hbm h GLY 486 Ca -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1hbm h GLY 486 CO 0.01 0.20 -0.11 0.83 0.00 0.00 0.00 176.54 177.48 1hbm h GLU 487 N 0.95 0.53 -0.30 4.80 3.07 -1.74 -2.44 114.58 119.44 1hbm h GLU 487 Ca 0.42 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 59.03 1hbm h GLU 487 Cb 0.31 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1hbm h GLU 487 CO -0.22 0.64 -0.24 1.88 -1.40 0.00 0.00 179.01 179.67 1hbm h TYR 488 N 0.49 0.66 -0.89 4.33 0.99 -0.68 -1.01 116.97 120.86 1hbm h TYR 488 Ca 0.09 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1hbm h TYR 488 Cb 0.49 -0.16 -0.04 0.00 1.00 0.00 0.00 36.73 38.02 1hbm h TYR 488 CO 0.02 0.78 0.50 0.00 -0.00 0.00 0.00 178.16 179.45 1hbm h ALA 489 N 1.22 1.20 -0.58 3.88 0.00 -1.08 0.88 119.26 124.79 1hbm h ALA 489 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 489 Cb 0.69 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1hbm h ALA 489 CO 0.05 0.65 0.37 0.78 0.00 0.00 0.00 179.25 181.11 1hbm h GLY 490 N 1.25 0.82 1.42 0.00 0.00 -0.92 -0.74 103.07 104.90 1hbm h GLY 490 Ca 0.31 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1hbm h GLY 490 CO -0.05 0.31 -0.09 -2.22 0.00 0.00 0.00 176.54 174.49 1hbm h ILE 491 N 0.78 1.25 -0.63 2.60 2.04 -0.72 1.00 117.51 123.82 1hbm h ILE 491 Ca 0.21 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1hbm h ILE 491 Cb -0.07 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1hbm h ILE 491 CO -0.04 0.37 0.33 0.77 0.00 0.00 0.00 178.15 179.58 1hbm h SER 492 N 0.64 0.80 -0.33 1.72 4.64 -0.45 -2.80 113.55 117.77 1hbm h SER 492 Ca 0.12 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1hbm h SER 492 Cb 0.53 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1hbm h SER 492 CO 0.03 0.68 -0.10 -0.61 -0.87 0.00 0.00 176.83 175.97 1hbm h GLN 493 N 0.86 0.76 -0.53 4.77 5.75 -0.56 -3.39 115.11 122.77 1hbm h GLN 493 Ca 0.22 -0.24 0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1hbm h GLN 493 Cb 0.07 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 1hbm h GLN 493 CO -0.03 0.83 -0.56 0.00 -2.65 0.00 0.00 178.83 176.42 1hbm h ALA 494 N 1.20 -0.71 -0.61 3.38 0.00 -0.53 -0.73 119.26 121.26 1hbm h ALA 494 Ca 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1hbm h ALA 494 Cb 0.57 1.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1hbm h ALA 494 CO 0.03 -1.02 0.25 -1.00 0.00 0.00 0.00 179.25 177.52 1hbm h PRO 495 N -0.32 0.88 -0.44 0.00 0.13 -1.76 -1.33 132.00 129.17 1hbm h PRO 495 Ca 0.10 -0.13 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 1hbm h PRO 495 Cb 0.56 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1hbm h PRO 495 CO -0.67 0.72 -0.22 0.45 -0.23 0.00 0.00 178.00 178.05 1hbm h HIS 496 N 0.87 1.08 -0.34 1.56 3.86 -1.64 -0.30 115.15 120.24 1hbm h HIS 496 Ca 0.21 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1hbm h HIS 496 Cb 0.16 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1hbm h HIS 496 CO 0.01 1.08 0.21 0.00 0.86 0.00 0.00 177.93 180.09 1hbm h ALA 497 N 0.84 0.43 -0.49 2.45 0.00 -0.86 0.14 119.26 121.78 1hbm h ALA 497 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1hbm h ALA 497 Cb 0.80 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1hbm h ALA 497 CO 0.07 -0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.37 1hbm h ALA 498 N 1.10 1.33 0.00 0.00 0.00 -1.04 -2.63 119.26 118.03 1hbm h ALA 498 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 498 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1hbm h ALA 498 CO -0.02 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1hbm h ARG 499 N 0.71 0.00 -0.04 0.00 3.08 -0.88 -3.47 114.38 113.79 1hbm h ARG 499 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1hbm h ARG 499 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1hbm h ARG 499 CO -0.01 0.00 -0.01 0.41 -1.07 0.00 0.00 179.97 179.29 1hbm n GLY 500 N 0.59 0.40 3.77 0.04 0.00 -0.62 -5.04 105.19 104.33 1hbm n GLY 500 Ca 0.03 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 6.85 0.48 1.61 1.01 0.41 -4.87 116.67 119.17 1hbm s ASP 501 Ca 0.00 2.61 0.26 0.00 0.71 0.00 0.00 52.55 56.13 1hbm s ASP 501 Cb 0.00 -2.64 1.13 0.00 1.01 0.00 0.00 42.92 42.41 1hbm s ASP 501 CO 0.00 -0.47 1.91 0.00 0.21 0.00 0.00 175.17 176.82 1hbm h ALA 502 N 3.43 1.07 -2.63 5.23 0.00 -1.89 -3.44 119.26 121.03 1hbm h ALA 502 Ca -0.49 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1hbm h ALA 502 Cb 1.22 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1hbm h ALA 502 CO 0.66 0.21 -0.31 -0.59 0.00 0.00 0.00 179.25 179.22 1hbm s PHE 503 N -3.78 0.33 -0.23 0.00 -0.71 -1.26 -4.96 117.98 107.36 1hbm s PHE 503 Ca -0.00 -0.70 -0.01 0.00 -1.04 0.00 0.00 56.93 55.18 1hbm s PHE 503 Cb 0.11 -0.03 -0.19 0.00 -1.21 0.00 0.00 43.02 41.70 1hbm s PHE 503 CO 0.61 -0.70 -0.11 0.28 -1.34 0.00 0.00 175.22 173.95 1hbm n VAL 504 N -0.20 1.55 0.00 -2.49 0.31 -1.26 -4.93 118.33 111.31 1hbm n VAL 504 Ca -0.09 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1hbm n VAL 504 Cb 0.63 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 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 -3.35 0.00 -3.54 3.52 7.35 -1.26 -5.02 117.46 115.16 1hbm n PHE 505 Ca -0.43 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.11 1hbm n PHE 505 Cb 0.99 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.70 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 -1.02 0.78 0.41 -2.13 3.84 -1.26 -5.01 114.94 110.55 1hbm s ASN 506 Ca 0.00 0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.40 1hbm s ASN 506 Cb 0.00 0.63 0.90 0.00 -0.55 0.00 0.00 41.25 42.23 1hbm s ASN 506 CO 0.00 -0.29 1.89 1.55 -2.79 0.00 0.00 177.10 177.47 1hbm h PRO 507 N 8.28 0.00 -0.65 0.43 0.13 -1.97 -2.34 132.00 135.88 1hbm h PRO 507 Ca -0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.88 1hbm h PRO 507 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1hbm h PRO 507 CO 0.22 0.29 0.08 -0.07 -0.23 0.00 0.00 178.00 178.30 1hbm h LEU 508 N 0.00 1.05 -0.62 1.56 3.38 -1.97 -2.31 115.31 116.40 1hbm h LEU 508 Ca -0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1hbm h LEU 508 Cb 0.56 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1hbm h LEU 508 CO 0.04 1.06 0.14 0.58 0.09 0.00 0.00 178.44 180.35 1hbm h VAL 509 N 1.01 1.26 -0.11 1.22 2.07 -1.82 -1.23 116.25 118.65 1hbm h VAL 509 Ca 0.19 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1hbm h VAL 509 Cb 0.47 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1hbm h VAL 509 CO 0.02 0.35 -0.04 0.50 0.02 0.00 0.00 177.57 178.42 1hbm h LYS 510 N 0.92 -0.01 -0.72 1.57 1.63 -1.35 -2.73 116.57 115.87 1hbm h LYS 510 Ca 0.19 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1hbm h LYS 510 Cb 0.38 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1hbm h LYS 510 CO 0.00 -0.01 0.18 0.82 -3.45 0.00 0.00 179.45 177.00 1hbm h ILE 511 N -0.01 1.26 -0.09 2.00 2.04 -1.31 -3.16 117.51 118.25 1hbm h ILE 511 Ca 0.06 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1hbm h ILE 511 Cb 0.10 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1hbm h ILE 511 CO -0.12 0.38 0.10 0.00 0.00 0.00 0.00 178.15 178.50 1hbm h ALA 512 N 1.09 1.70 -0.35 1.87 0.00 -0.91 -1.50 119.26 121.16 1hbm h ALA 512 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1hbm h ALA 512 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hbm h ALA 512 CO 0.00 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.30 1hbm n PHE 513 N -3.88 0.45 -1.61 0.00 3.01 -1.17 -4.60 117.46 109.65 1hbm n PHE 513 Ca -0.01 -0.24 -0.35 0.00 1.01 0.00 0.00 57.45 57.86 1hbm n PHE 513 Cb 0.20 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.63 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 1.39 6.95 -3.74 4.37 0.00 -0.57 -4.86 120.51 124.06 1hbm n ALA 514 Ca 0.18 -3.54 -0.25 0.00 0.00 0.00 0.00 53.44 49.84 1hbm n ALA 514 Cb 0.58 -2.82 -0.17 0.00 0.00 0.00 0.00 19.45 17.04 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 1.07 2.05 0.00 0.00 3.68 -1.26 -4.83 116.67 117.38 1hbm s ASP 515 Ca 0.61 -0.36 0.19 0.00 2.13 0.00 0.00 52.55 55.12 1hbm s ASP 515 Cb 0.23 -0.45 0.92 0.00 -1.45 0.00 0.00 42.92 42.16 1hbm s ASP 515 CO -0.09 -0.25 1.58 0.47 0.13 0.00 0.00 175.17 177.01 1hbm n ASP 516 N 5.14 0.00 -0.18 -0.34 8.00 -1.26 -2.35 116.55 125.56 1hbm n ASP 516 Ca -0.07 0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.69 1hbm n ASP 516 Cb 0.49 -0.33 0.48 0.00 -0.02 0.00 0.00 41.12 41.74 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 -1.33 0.75 -4.65 -2.24 4.13 -1.26 -4.88 115.26 105.77 1hbm n ASN 517 Ca 0.08 -0.71 -0.34 0.00 1.68 0.00 0.00 54.58 55.29 1hbm n ASN 517 Cb 0.17 0.03 0.12 0.00 -1.54 0.00 0.00 39.78 38.56 1hbm n ASN 517 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1hbm n LEU 518 N -0.82 3.86 -0.06 3.41 4.77 -0.99 -4.98 117.00 122.19 1hbm n LEU 518 Ca 0.13 0.59 -0.07 0.00 -0.03 0.00 0.00 56.01 56.62 1hbm n LEU 518 Cb 0.32 -1.46 -0.07 0.00 -2.33 0.00 0.00 43.42 39.88 1hbm n LEU 518 CO 0.25 -1.92 0.20 0.58 -1.33 0.00 0.00 177.39 175.17 1hbm h VAL 519 N -0.81 0.92 -3.89 4.08 2.07 -1.91 -3.46 116.25 113.25 1hbm h VAL 519 Ca -0.46 -1.69 -0.50 0.00 0.82 0.00 0.00 66.70 64.87 1hbm h VAL 519 Cb 1.31 1.74 0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1hbm h VAL 519 CO 0.45 0.31 0.47 0.12 0.02 0.00 0.00 177.57 178.94 1hbm s PHE 520 N -1.89 3.33 -0.59 1.57 5.36 -1.26 -5.01 117.98 119.48 1hbm s PHE 520 Ca -0.10 1.64 -0.19 0.00 -0.96 0.00 0.00 56.93 57.32 1hbm s PHE 520 Cb -0.02 -3.28 0.10 0.00 -0.34 0.00 0.00 43.02 39.48 1hbm s PHE 520 CO 0.35 -0.82 0.71 0.34 -1.46 0.00 0.00 175.22 174.35 1hbm s ASP 521 N -1.13 6.18 0.00 6.13 -1.08 -1.26 -4.91 116.67 120.60 1hbm s ASP 521 Ca 0.52 -1.41 0.21 0.00 -0.52 0.00 0.00 52.55 51.35 1hbm s ASP 521 Cb -0.29 -2.31 0.96 0.00 -1.46 0.00 0.00 42.92 39.82 1hbm s ASP 521 CO 0.37 -1.13 1.66 0.49 0.52 0.00 0.00 175.17 177.08 1hbm n PHE 522 N 6.39 0.00 0.44 -5.34 3.01 -1.26 -2.30 117.46 118.39 1hbm n PHE 522 Ca -0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.50 1hbm n PHE 522 Cb 0.43 -0.40 0.38 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.80 4.37 1.35 -1.91 -0.94 112.91 113.98 1hbm h THR 523 Ca 0.00 -0.60 -0.50 0.00 -0.55 0.00 0.00 66.41 64.76 1hbm h THR 523 Cb 0.28 1.56 -0.37 0.00 -1.73 0.00 0.00 68.15 67.89 1hbm h THR 523 CO 0.00 0.00 -1.07 -3.20 -0.25 0.00 0.00 175.52 171.00 1hbm n ASN 524 N -2.59 0.09 -0.32 5.36 5.15 -0.97 -4.36 115.26 117.62 1hbm n ASN 524 Ca 0.04 -2.87 -0.03 0.00 -0.60 0.00 0.00 54.58 51.12 1hbm n ASN 524 Cb 0.42 -0.38 0.09 0.00 -0.53 0.00 0.00 39.78 39.38 1hbm n ASN 524 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1hbm h VAL 525 N 1.78 1.20 -0.31 3.44 -1.51 -1.75 -1.57 116.25 117.52 1hbm h VAL 525 Ca 0.06 -0.39 -0.14 0.00 -1.23 0.00 0.00 66.70 64.99 1hbm h VAL 525 Cb 0.93 -0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 1hbm h VAL 525 CO 0.45 0.21 -0.37 0.03 -1.23 0.00 0.00 177.57 176.66 1hbm h ARG 526 N 1.15 0.73 -0.93 5.19 3.08 -1.91 -1.47 114.38 120.22 1hbm h ARG 526 Ca 0.33 -0.36 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1hbm h ARG 526 Cb -0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.91 1hbm h ARG 526 CO -0.08 0.98 0.60 0.78 -1.07 0.00 0.00 179.97 181.17 1hbm h GLY 527 N 0.95 1.38 1.07 0.04 0.00 -1.75 -2.20 103.07 102.56 1hbm h GLY 527 Ca 0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1hbm h GLY 527 CO 0.08 0.36 -0.15 0.83 0.00 0.00 0.00 176.54 177.66 1hbm h GLU 528 N 1.13 0.96 -0.71 4.80 4.39 -0.92 -1.62 114.58 122.61 1hbm h GLU 528 Ca 0.38 -0.38 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1hbm h GLU 528 Cb 0.07 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1hbm h GLU 528 CO -0.14 1.05 0.42 0.74 -1.16 0.00 0.00 179.01 179.92 1hbm h PHE 529 N 0.81 0.79 -0.40 4.33 0.04 -0.96 -1.02 116.94 120.53 1hbm h PHE 529 Ca 0.12 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 1hbm h PHE 529 Cb 0.71 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1hbm h PHE 529 CO 0.05 0.41 0.25 0.00 -0.60 0.00 0.00 178.31 178.42 1hbm h ALA 530 N 1.34 0.50 -0.89 2.45 0.00 -1.23 -1.09 119.26 120.34 1hbm h ALA 530 Ca 0.30 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1hbm h ALA 530 Cb 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1hbm h ALA 530 CO -0.15 -0.01 0.56 -0.22 0.00 0.00 0.00 179.25 179.42 1hbm h LYS 531 N 0.53 0.98 -0.01 0.00 3.64 -0.92 -1.82 116.57 118.96 1hbm h LYS 531 Ca 0.14 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 1hbm h LYS 531 Cb -0.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 1hbm h LYS 531 CO -0.03 0.65 -0.60 0.78 -2.27 0.00 0.00 179.45 177.98 1hbm h GLY 532 N 1.01 0.06 1.36 5.01 0.00 -1.00 -1.76 103.07 107.74 1hbm h GLY 532 Ca 0.39 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1hbm h GLY 532 CO -0.18 0.06 -0.11 0.00 0.00 0.00 0.00 176.54 176.32 1hbm h ALA 533 N 1.35 1.02 0.00 3.60 0.00 -0.62 -1.70 119.26 122.91 1hbm h ALA 533 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1hbm h ALA 533 Cb 1.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1hbm h ALA 533 CO 0.08 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1hbm n LEU 534 N -4.17 0.00 -1.44 0.00 4.77 -0.74 -4.88 117.00 110.54 1hbm n LEU 534 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 1hbm n LEU 534 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1hbm n LEU 534 CO 0.43 0.00 -0.08 0.54 -1.33 0.00 0.00 177.39 176.94 1hbm n ARG 535 N -0.86 -1.59 -0.10 3.23 1.74 -0.64 -4.92 116.66 113.52 1hbm n ARG 535 Ca 0.15 0.51 0.05 0.00 -0.77 0.00 0.00 57.85 57.80 1hbm n ARG 535 Cb 0.07 -4.57 0.11 0.00 -1.02 0.00 0.00 32.46 27.05 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 -2.23 2.04 -3.70 5.56 1.02 -0.68 -4.98 120.64 117.66 1hbm n GLU 536 Ca -0.10 -1.69 -0.36 0.00 -0.02 0.00 0.00 57.16 54.99 1hbm n GLU 536 Cb 0.59 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.94 3.47 -0.37 -0.32 5.36 -1.23 -4.91 117.98 119.03 1hbm s PHE 537 Ca 0.18 0.46 -0.10 0.00 -0.96 0.00 0.00 56.93 56.51 1hbm s PHE 537 Cb 0.10 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.64 1hbm s PHE 537 CO 0.14 0.37 0.19 -1.21 -1.46 0.00 0.00 175.22 173.25 1hbm s GLU 538 N 0.09 2.75 0.70 10.12 2.02 -1.26 -4.83 118.70 128.29 1hbm s GLU 538 Ca 0.12 -1.14 -0.11 0.00 0.02 0.00 0.00 54.97 53.86 1hbm s GLU 538 Cb -0.12 -3.68 0.02 0.00 0.10 0.00 0.00 34.13 30.45 1hbm s GLU 538 CO 0.01 -0.72 1.08 -1.25 0.02 0.00 0.00 175.26 174.40 1hbm s PRO 539 N 1.51 2.83 0.74 0.39 0.04 -1.26 -5.03 135.00 134.22 1hbm s PRO 539 Ca 0.01 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 61.39 1hbm s PRO 539 Cb -0.20 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.41 1hbm s PRO 539 CO 0.06 -1.02 1.03 0.00 0.04 0.00 0.00 177.00 177.11 1hbm s ALA 540 N -3.32 3.34 0.00 8.56 0.00 -1.26 -4.66 121.76 124.41 1hbm s ALA 540 Ca 0.58 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1hbm s ALA 540 Cb -0.11 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1hbm s ALA 540 CO 0.51 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1hbm n GLY 541 N -2.96 0.88 3.83 0.00 0.00 -1.26 -4.84 105.19 100.84 1hbm n GLY 541 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.61 3.18 -0.19 1.61 0.41 -1.26 -4.52 118.70 117.32 1hbm s GLU 542 Ca 0.00 0.91 0.16 0.00 -0.41 0.00 0.00 54.97 55.64 1hbm s GLU 542 Cb 0.00 -2.02 0.58 0.00 -1.78 0.00 0.00 34.13 30.91 1hbm s GLU 542 CO 0.00 -0.91 1.48 0.54 -0.49 0.00 0.00 175.26 175.89 1hbm n ARG 543 N -2.90 3.31 -0.35 1.61 3.00 -1.26 -4.72 116.66 115.35 1hbm n ARG 543 Ca 0.07 -2.89 0.02 0.00 -0.01 0.00 0.00 57.85 55.04 1hbm n ARG 543 Cb 0.54 -1.92 0.19 0.00 0.00 0.00 0.00 32.46 31.27 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 2.25 1.42 0.00 7.54 0.00 -1.94 -1.82 119.26 126.71 1hbm h ALA 544 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1hbm h ALA 544 Cb 1.53 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hbm h ALA 544 CO 0.27 0.46 -0.07 1.25 0.00 0.00 0.00 179.25 181.16 1hbm h LEU 545 N 1.16 0.00 -3.32 0.00 5.85 -1.98 -2.93 115.31 114.09 1hbm h LEU 545 Ca 0.40 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 1hbm h LEU 545 Cb 0.11 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1hbm h LEU 545 CO -0.15 0.07 -0.00 2.30 -0.34 0.00 0.00 178.44 180.32 1hbm n ILE 546 N -3.88 2.42 -4.22 4.05 -5.35 -0.69 -5.00 119.36 106.69 1hbm n ILE 546 Ca -0.02 -2.21 -0.13 0.00 -0.27 0.00 0.00 62.75 60.12 1hbm n ILE 546 Cb 0.16 -0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 37.67 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 -3.01 0.52 0.49 7.28 -4.23 -1.11 -5.12 115.64 110.46 1hbm s THR 547 Ca 0.44 -1.96 -0.24 0.00 -1.18 0.00 0.00 61.69 58.74 1hbm s THR 547 Cb 0.37 -2.12 -0.07 0.00 1.34 0.00 0.00 72.50 72.02 1hbm s THR 547 CO 0.05 -0.45 1.40 -2.84 -0.54 0.00 0.00 174.62 172.24 1hbm s PRO 548 N -3.96 3.49 0.00 3.99 0.02 -1.26 -4.96 135.00 132.32 1hbm s PRO 548 Ca 0.25 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.63 1hbm s PRO 548 Cb 0.07 -2.51 0.14 0.00 0.02 0.00 0.00 34.50 32.22 1hbm s PRO 548 CO 0.04 -0.95 0.63 0.00 -0.33 0.00 0.00 177.00 176.39