#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg5 n ASP 33 N 0.00 7.48 -0.66 1.96 2.03 -1.26 -4.44 116.55 121.66 3hg5 n ASP 33 Ca 0.00 -3.27 0.07 0.00 0.52 0.00 0.00 54.79 52.11 3hg5 n ASP 33 Cb 0.00 -1.33 0.13 0.00 -0.72 0.00 0.00 41.12 39.20 3hg5 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hg5 n ASN 34 N 1.58 2.68 0.00 1.67 6.94 -1.26 -4.97 115.26 121.90 3hg5 n ASN 34 Ca 0.55 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 3hg5 n ASN 34 Cb 0.27 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 3hg5 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hg5 n GLY 35 N 0.71 0.53 3.84 4.83 0.00 -1.26 -5.02 105.19 108.82 3hg5 n GLY 35 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3hg5 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg5 s LEU 36 N 0.00 3.54 -1.42 0.99 1.43 -1.26 -4.66 118.68 117.29 3hg5 s LEU 36 Ca 0.00 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3hg5 s LEU 36 Cb 0.00 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3hg5 s LEU 36 CO 0.00 -0.36 0.41 0.00 0.23 0.00 0.00 176.35 176.62 3hg5 n ALA 37 N -1.35 -1.99 0.19 4.21 0.00 -1.26 -4.12 120.51 116.19 3hg5 n ALA 37 Ca -0.02 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.21 3hg5 n ALA 37 Cb 0.60 -1.51 0.37 0.00 0.00 0.00 0.00 19.45 18.91 3hg5 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg5 h ARG 38 N -1.82 0.00 -6.24 0.00 2.47 -1.91 0.33 114.38 107.21 3hg5 h ARG 38 Ca -0.63 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.49 3hg5 h ARG 38 Cb 1.38 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.57 3hg5 h ARG 38 CO 0.63 0.37 -0.72 0.95 0.56 0.00 0.00 179.97 181.76 3hg5 s THR 39 N -3.82 2.82 0.35 2.04 -4.23 -1.26 -4.33 115.64 107.20 3hg5 s THR 39 Ca -0.01 -2.20 -0.28 0.00 -1.18 0.00 0.00 61.69 58.02 3hg5 s THR 39 Cb 0.12 -2.48 -0.12 0.00 1.34 0.00 0.00 72.50 71.36 3hg5 s THR 39 CO 0.69 -0.37 1.39 -2.65 -0.54 0.00 0.00 174.62 173.14 3hg5 n PRO 40 N -0.64 2.37 -1.94 3.99 -0.02 -1.26 -4.89 135.00 132.60 3hg5 n PRO 40 Ca -0.06 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 3hg5 n PRO 40 Cb 0.59 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3hg5 n PRO 40 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hg5 s THR 41 N -1.00 2.36 -0.06 3.45 2.01 -1.26 -4.71 115.64 116.43 3hg5 s THR 41 Ca 0.56 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.96 3hg5 s THR 41 Cb -0.53 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3hg5 s THR 41 CO 0.62 0.08 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.37 3hg5 s MET 42 N -1.74 2.35 0.00 4.92 -1.94 -1.26 -0.09 119.30 121.54 3hg5 s MET 42 Ca 0.52 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 3hg5 s MET 42 Cb -0.44 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.43 3hg5 s MET 42 CO 0.57 0.30 0.00 0.41 -0.01 0.00 0.00 175.02 176.29 3hg5 n GLY 43 N 3.11 -0.83 2.83 -0.03 0.00 -0.05 -1.63 105.19 108.58 3hg5 n GLY 43 Ca -0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 3hg5 n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hg5 s TRP 44 N -4.00 0.05 -0.03 1.61 -0.00 0.10 -1.57 118.94 115.10 3hg5 s TRP 44 Ca 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 56.10 56.17 3hg5 s TRP 44 Cb 0.00 -0.14 0.02 0.00 -0.00 0.00 0.00 33.47 33.35 3hg5 s TRP 44 CO 0.00 -0.05 -0.04 -1.17 -0.00 0.00 0.00 176.95 175.69 3hg5 s LEU 45 N 0.53 1.46 0.43 5.86 2.96 0.56 0.31 118.68 130.79 3hg5 s LEU 45 Ca -0.04 -0.10 0.28 0.00 -0.22 0.00 0.00 54.13 54.04 3hg5 s LEU 45 Cb -0.07 -0.37 0.97 0.00 0.50 0.00 0.00 46.19 47.22 3hg5 s LEU 45 CO -0.01 -0.03 1.81 1.12 -1.32 0.00 0.00 176.35 177.92 3hg5 h HIS 46 N 6.92 0.00 0.34 5.38 2.07 -1.82 -3.35 115.15 124.69 3hg5 h HIS 46 Ca -0.37 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.14 3hg5 h HIS 46 Cb 1.16 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.12 3hg5 h HIS 46 CO 0.48 0.00 -0.29 2.35 -3.07 0.00 0.00 177.93 177.40 3hg5 h TRP 47 N 0.00 -0.77 -0.50 6.12 2.91 -1.89 0.50 115.95 122.32 3hg5 h TRP 47 Ca 0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 3hg5 h TRP 47 Cb 0.64 0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.56 3hg5 h TRP 47 CO 0.00 -0.43 0.26 1.49 -1.03 0.00 0.00 178.44 178.73 3hg5 h GLU 48 N -0.64 0.72 0.01 2.65 4.22 -1.89 0.30 114.58 119.94 3hg5 h GLU 48 Ca -0.02 -0.10 -0.24 0.00 0.08 0.00 0.00 59.36 59.08 3hg5 h GLU 48 Cb 0.57 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3hg5 h GLU 48 CO -0.03 0.58 -1.21 -0.09 -2.18 0.00 0.00 179.01 176.09 3hg5 h ARG 49 N 0.67 0.01 0.00 1.92 9.65 -1.75 -3.40 114.38 121.48 3hg5 h ARG 49 Ca 0.17 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3hg5 h ARG 49 Cb 0.09 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 3hg5 h ARG 49 CO -0.02 0.87 -1.37 1.19 2.80 0.00 0.00 179.97 183.43 3hg5 n PHE 50 N -3.27 0.00 -1.68 2.20 3.72 0.16 -5.05 117.46 113.54 3hg5 n PHE 50 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3hg5 n PHE 50 Cb 0.97 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 3hg5 n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hg5 n MET 51 N -2.18 0.00 -1.86 -1.08 2.81 0.10 -3.18 117.12 111.73 3hg5 n MET 51 Ca -0.09 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.50 3hg5 n MET 51 Cb 0.66 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 33.21 3hg5 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg5 s ASN 53 N -2.61 6.26 0.00 0.00 3.84 -1.19 -4.84 114.94 116.40 3hg5 s ASN 53 Ca 0.55 0.76 0.19 0.00 0.21 0.00 0.00 52.86 54.57 3hg5 s ASN 53 Cb 0.45 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.68 3hg5 s ASN 53 CO -0.09 -1.51 1.04 0.18 -2.79 0.00 0.00 177.10 173.93 3hg5 n LEU 54 N 9.09 2.24 -4.46 3.21 4.77 -1.26 -0.71 117.00 129.88 3hg5 n LEU 54 Ca 0.16 -0.89 -0.44 0.00 -0.03 0.00 0.00 56.01 54.82 3hg5 n LEU 54 Cb 0.48 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3hg5 n LEU 54 CO 0.70 0.40 1.30 -0.62 -1.33 0.00 0.00 177.39 177.85 3hg5 s ASP 55 N -1.88 7.01 0.04 -1.43 2.15 -1.26 -4.80 116.67 116.49 3hg5 s ASP 55 Ca 0.19 -2.86 0.26 0.00 0.43 0.00 0.00 52.55 50.58 3hg5 s ASP 55 Cb 0.16 -2.39 1.08 0.00 -0.30 0.00 0.00 42.92 41.47 3hg5 s ASP 55 CO 0.36 -0.78 1.84 0.00 -0.17 0.00 0.00 175.17 176.41 3hg5 h GLN 57 N 0.00 0.19 0.00 0.00 1.08 -1.96 -3.23 115.11 111.19 3hg5 h GLN 57 Ca 0.00 -0.32 -0.20 0.00 -1.45 0.00 0.00 58.65 56.69 3hg5 h GLN 57 Cb 0.50 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 3hg5 h GLN 57 CO 0.00 1.14 -2.15 0.39 -0.95 0.00 0.00 178.83 177.26 3hg5 n GLU 58 N -4.31 0.67 -3.12 1.46 -0.58 -1.23 -4.54 120.64 108.98 3hg5 n GLU 58 Ca -0.12 -0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.30 3hg5 n GLU 58 Cb 0.68 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.96 3hg5 n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hg5 n GLU 59 N -2.55 2.31 0.26 3.49 -0.58 -0.11 -4.95 120.64 118.52 3hg5 n GLU 59 Ca -0.19 -4.31 0.11 0.00 -0.42 0.00 0.00 57.16 52.35 3hg5 n GLU 59 Cb 0.88 -2.01 0.70 0.00 -0.57 0.00 0.00 31.44 30.44 3hg5 n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3hg5 h PRO 60 N 3.33 0.00 0.00 3.49 0.13 -1.66 -1.49 132.00 135.79 3hg5 h PRO 60 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 3hg5 h PRO 60 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3hg5 h PRO 60 CO 0.71 0.11 -0.65 -0.44 -0.23 0.00 0.00 178.00 177.50 3hg5 h ASP 61 N 0.00 0.00 -0.01 1.44 3.32 -1.91 -3.33 116.42 115.93 3hg5 h ASP 61 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hg5 h ASP 61 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hg5 h ASP 61 CO 0.01 0.36 -0.06 -1.54 -1.72 0.00 0.00 179.24 176.30 3hg5 n SER 62 N -3.07 1.26 -4.77 6.45 3.41 -1.09 -4.98 113.62 110.84 3hg5 n SER 62 Ca -0.00 -1.13 -0.34 0.00 -0.26 0.00 0.00 58.87 57.13 3hg5 n SER 62 Cb 0.70 0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.88 3hg5 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hg5 s ILE 64 N -1.99 3.67 0.18 0.00 -1.09 0.11 -4.80 121.20 117.29 3hg5 s ILE 64 Ca 0.71 0.02 0.03 0.00 -2.23 0.00 0.00 60.65 59.18 3hg5 s ILE 64 Cb -0.23 -4.68 -0.05 0.00 -1.58 0.00 0.00 42.46 35.92 3hg5 s ILE 64 CO 0.34 -1.61 -0.02 -0.94 -1.23 0.00 0.00 174.94 171.48 3hg5 s SER 65 N 5.28 1.47 0.41 3.58 1.04 -1.26 -4.82 113.70 119.39 3hg5 s SER 65 Ca 0.47 -1.16 0.14 0.00 0.48 0.00 0.00 55.95 55.89 3hg5 s SER 65 Cb -0.07 0.07 0.88 0.00 0.10 0.00 0.00 66.02 67.00 3hg5 s SER 65 CO 0.09 -0.52 1.91 1.05 0.98 0.00 0.00 173.24 176.75 3hg5 h GLU 66 N 2.65 0.00 -0.76 4.02 4.11 -1.57 -2.76 114.58 120.28 3hg5 h GLU 66 Ca -0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.00 3hg5 h GLU 66 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3hg5 h GLU 66 CO 0.63 0.28 0.25 0.87 0.07 0.00 0.00 179.01 181.11 3hg5 h LYS 67 N 0.00 1.16 -0.11 1.06 1.57 -1.96 0.84 116.57 119.13 3hg5 h LYS 67 Ca -0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3hg5 h LYS 67 Cb 0.50 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3hg5 h LYS 67 CO 0.04 0.97 0.06 1.25 -0.57 0.00 0.00 179.45 181.20 3hg5 h LEU 68 N 1.12 0.11 -0.38 2.94 5.85 -1.80 -0.06 115.31 123.09 3hg5 h LEU 68 Ca 0.25 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.84 3hg5 h LEU 68 Cb 0.28 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3hg5 h LEU 68 CO -0.01 0.08 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.65 3hg5 h PHE 69 N 0.13 0.98 0.04 1.25 0.04 -1.41 0.71 116.94 118.69 3hg5 h PHE 69 Ca 0.04 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.57 3hg5 h PHE 69 Cb -0.01 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 3hg5 h PHE 69 CO -0.08 1.05 -0.29 0.52 -0.60 0.00 0.00 178.31 178.91 3hg5 h MET 70 N 0.64 -0.44 -0.73 1.51 2.86 -0.78 0.64 114.93 118.63 3hg5 h MET 70 Ca 0.07 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3hg5 h MET 70 Cb 0.83 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 3hg5 h MET 70 CO 0.07 -0.29 0.26 1.49 1.06 0.00 0.00 176.91 179.50 3hg5 h GLU 71 N -0.46 1.11 -0.75 1.72 4.81 -0.86 -1.42 114.58 118.73 3hg5 h GLU 71 Ca 0.05 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3hg5 h GLU 71 Cb 0.52 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3hg5 h GLU 71 CO -0.22 0.93 0.46 1.98 -0.73 0.00 0.00 179.01 181.43 3hg5 h MET 72 N 1.07 1.02 -0.82 1.92 4.05 -0.70 -2.19 114.93 119.28 3hg5 h MET 72 Ca 0.24 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3hg5 h MET 72 Cb 0.26 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 3hg5 h MET 72 CO -0.01 0.72 0.50 0.00 0.23 0.00 0.00 176.91 178.34 3hg5 h ALA 73 N 1.24 1.04 -0.58 0.39 0.00 -0.45 -1.25 119.26 119.66 3hg5 h ALA 73 Ca 0.27 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hg5 h ALA 73 Cb -0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.37 3hg5 h ALA 73 CO -0.05 0.50 0.32 0.93 0.00 0.00 0.00 179.25 180.95 3hg5 h GLU 74 N 1.12 0.60 -0.10 0.00 5.08 -0.86 -2.92 114.58 117.50 3hg5 h GLU 74 Ca 0.29 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 3hg5 h GLU 74 Cb -0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3hg5 h GLU 74 CO -0.06 0.39 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.64 3hg5 h LEU 75 N 0.61 0.45 -0.85 1.33 3.38 -1.17 -1.35 115.31 117.72 3hg5 h LEU 75 Ca 0.25 -0.27 0.14 0.00 0.09 0.00 0.00 57.88 58.09 3hg5 h LEU 75 Cb 0.11 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 3hg5 h LEU 75 CO -0.15 0.97 0.46 0.24 0.09 0.00 0.00 178.44 180.05 3hg5 h MET 76 N 0.28 0.66 0.22 1.13 2.86 -1.07 0.15 114.93 119.16 3hg5 h MET 76 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3hg5 h MET 76 Cb 1.18 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3hg5 h MET 76 CO 0.11 0.44 -0.10 0.28 1.06 0.00 0.00 176.91 178.69 3hg5 h VAL 77 N 0.68 0.32 0.00 -2.22 2.07 -1.40 -1.19 116.25 114.51 3hg5 h VAL 77 Ca 0.45 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3hg5 h VAL 77 Cb 0.59 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3hg5 h VAL 77 CO -0.33 0.09 -0.07 0.77 0.02 0.00 0.00 177.57 178.05 3hg5 h SER 78 N -1.02 0.00 -0.37 0.57 4.64 -1.07 -2.88 113.55 113.41 3hg5 h SER 78 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hg5 h SER 78 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hg5 h SER 78 CO 0.05 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.46 3hg5 n GLU 79 N -3.27 3.48 -1.00 4.77 -0.58 0.49 -4.97 120.64 119.56 3hg5 n GLU 79 Ca -0.01 -2.87 -0.00 0.00 -0.42 0.00 0.00 57.16 53.87 3hg5 n GLU 79 Cb 0.28 -1.91 -0.00 0.00 -0.57 0.00 0.00 31.44 29.24 3hg5 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg5 n GLY 80 N -0.03 0.48 0.13 0.62 0.00 -1.09 -4.93 105.19 100.37 3hg5 n GLY 80 Ca 0.23 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3hg5 n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hg5 h TRP 81 N 0.00 0.41 -0.47 1.61 4.06 -1.49 -2.58 115.95 117.50 3hg5 h TRP 81 Ca -0.00 -0.13 0.05 0.00 2.06 0.00 0.00 58.89 60.87 3hg5 h TRP 81 Cb 0.05 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.07 3hg5 h TRP 81 CO 0.03 0.74 0.21 -0.22 -3.56 0.00 0.00 178.44 175.64 3hg5 h LYS 82 N -0.03 0.40 -0.07 0.49 3.64 -1.36 -1.91 116.57 117.72 3hg5 h LYS 82 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hg5 h LYS 82 Cb 0.68 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hg5 h LYS 82 CO 0.04 0.26 0.01 -0.44 -2.27 0.00 0.00 179.45 177.05 3hg5 h ASP 83 N 0.41 0.08 1.46 4.20 3.45 -1.83 -1.98 116.42 122.22 3hg5 h ASP 83 Ca 0.21 -0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.63 3hg5 h ASP 83 Cb 0.16 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3hg5 h ASP 83 CO -0.18 0.10 -0.18 0.00 -1.57 0.00 0.00 179.24 177.40 3hg5 h ALA 84 N 1.92 0.92 0.00 3.45 0.00 -1.00 -3.47 119.26 121.08 3hg5 h ALA 84 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hg5 h ALA 84 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hg5 h ALA 84 CO -0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3hg5 n GLY 85 N 0.74 0.70 3.54 0.00 0.00 -0.75 -5.03 105.19 104.41 3hg5 n GLY 85 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3hg5 n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hg5 s TYR 86 N -1.37 2.33 -0.18 1.61 2.02 -0.77 -4.58 117.35 116.41 3hg5 s TYR 86 Ca 0.00 -0.14 0.09 0.00 -0.37 0.00 0.00 57.07 56.66 3hg5 s TYR 86 Cb 0.00 -4.61 -0.18 0.00 -0.40 0.00 0.00 41.96 36.78 3hg5 s TYR 86 CO 0.00 -2.04 -0.04 -1.91 -1.57 0.00 0.00 175.55 170.00 3hg5 n GLU 87 N 9.22 1.04 -3.26 -0.62 4.07 -0.65 -3.66 120.64 126.78 3hg5 n GLU 87 Ca 0.04 0.04 -0.42 0.00 -0.06 0.00 0.00 57.16 56.76 3hg5 n GLU 87 Cb 0.49 -1.41 -0.08 0.00 -0.06 0.00 0.00 31.44 30.37 3hg5 n GLU 87 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3hg5 s TYR 88 N -2.40 3.15 -0.32 4.31 2.02 -0.95 -1.40 117.35 121.77 3hg5 s TYR 88 Ca -0.16 -0.12 -0.24 0.00 -0.37 0.00 0.00 57.07 56.18 3hg5 s TYR 88 Cb 0.06 -2.99 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 3hg5 s TYR 88 CO 0.59 -0.67 0.81 -1.17 -1.57 0.00 0.00 175.55 173.54 3hg5 s LEU 89 N 2.35 4.08 -0.12 -1.29 2.96 0.79 0.01 118.68 127.46 3hg5 s LEU 89 Ca 0.16 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 3hg5 s LEU 89 Cb -0.16 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 3hg5 s LEU 89 CO 0.15 -0.67 -0.18 0.00 -1.32 0.00 0.00 176.35 174.33 3hg5 s ILE 91 N 0.40 5.05 0.00 0.00 1.01 0.13 -3.21 121.20 124.59 3hg5 s ILE 91 Ca -0.14 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3hg5 s ILE 91 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3hg5 s ILE 91 CO 0.06 0.35 0.00 -0.67 0.00 0.00 0.00 174.94 174.68 3hg5 n ASP 92 N 3.30 0.08 -4.69 3.58 -0.08 -1.26 -3.16 116.55 114.31 3hg5 n ASP 92 Ca -0.06 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.90 3hg5 n ASP 92 Cb 0.51 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.12 3hg5 n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3hg5 s ASP 93 N -0.87 3.30 -0.05 1.67 -1.08 -1.26 -4.16 116.67 114.21 3hg5 s ASP 93 Ca 0.00 2.23 0.00 0.00 -0.52 0.00 0.00 52.55 54.26 3hg5 s ASP 93 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 3hg5 s ASP 93 CO 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 175.17 172.83 3hg5 n TRP 95 N -3.85 0.64 -3.25 0.00 4.27 -1.26 -4.91 117.44 109.09 3hg5 n TRP 95 Ca -0.01 0.19 -0.24 0.00 -3.89 0.00 0.00 57.50 53.55 3hg5 n TRP 95 Cb 0.43 -0.79 -0.01 0.00 -1.36 0.00 0.00 31.31 29.59 3hg5 n TRP 95 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hg5 s MET 96 N -3.39 3.37 0.63 -2.67 0.23 -1.26 -0.95 119.30 115.26 3hg5 s MET 96 Ca -0.02 -0.37 -0.15 0.00 -1.03 0.00 0.00 55.69 54.12 3hg5 s MET 96 Cb 0.11 -2.63 -0.02 0.00 -1.53 0.00 0.00 34.83 30.77 3hg5 s MET 96 CO 0.82 0.03 1.08 0.00 -2.03 0.00 0.00 175.02 174.92 3hg5 s ALA 97 N -2.39 2.62 0.48 3.16 0.00 0.34 -4.11 121.76 121.86 3hg5 s ALA 97 Ca 0.42 0.44 0.21 0.00 0.00 0.00 0.00 51.96 53.03 3hg5 s ALA 97 Cb -0.10 -3.26 1.23 0.00 0.00 0.00 0.00 23.12 20.99 3hg5 s ALA 97 CO 0.37 -1.04 1.95 -1.35 0.00 0.00 0.00 175.76 175.69 3hg5 h PRO 98 N 0.18 0.20 -4.86 0.00 0.11 -1.95 -3.42 132.00 122.26 3hg5 h PRO 98 Ca -0.47 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.32 3hg5 h PRO 98 Cb 1.23 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 3hg5 h PRO 98 CO 0.56 0.13 -0.65 -0.65 -0.21 0.00 0.00 178.00 177.18 3hg5 s GLN 99 N -5.21 1.20 0.68 1.05 -1.52 -1.26 -4.41 119.66 110.19 3hg5 s GLN 99 Ca -0.06 -1.60 -0.11 0.00 -1.95 0.00 0.00 55.36 51.64 3hg5 s GLN 99 Cb 0.20 -0.32 -0.00 0.00 -0.22 0.00 0.00 33.01 32.67 3hg5 s GLN 99 CO 0.75 -0.16 1.06 1.03 -0.25 0.00 0.00 175.29 177.72 3hg5 s ARG 100 N -3.93 3.08 0.00 2.91 0.52 -1.26 -4.56 118.95 115.71 3hg5 s ARG 100 Ca 0.27 0.83 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 3hg5 s ARG 100 Cb 0.06 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.52 3hg5 s ARG 100 CO 0.06 -0.96 0.00 -0.40 0.02 0.00 0.00 175.30 174.02 3hg5 n ASP 101 N -3.02 -0.20 0.27 0.23 5.68 -0.46 -4.84 116.55 114.22 3hg5 n ASP 101 Ca 0.07 -0.59 0.16 0.00 -0.50 0.00 0.00 54.79 53.93 3hg5 n ASP 101 Cb 0.54 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.22 3hg5 n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3hg5 h SER 102 N -0.20 0.00 0.46 -1.12 4.64 -1.98 -1.73 113.55 113.62 3hg5 h SER 102 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hg5 h SER 102 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hg5 h SER 102 CO 0.00 0.05 -0.28 -0.62 -0.87 0.00 0.00 176.83 175.11 3hg5 n GLU 103 N -3.19 0.39 -1.08 4.77 -0.58 -1.26 -4.93 120.64 114.77 3hg5 n GLU 103 Ca 0.00 -0.19 -0.01 0.00 -0.42 0.00 0.00 57.16 56.54 3hg5 n GLU 103 Cb 0.30 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 3hg5 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg5 n GLY 104 N 1.40 0.48 3.90 0.62 0.00 -0.65 -5.05 105.19 105.90 3hg5 n GLY 104 Ca 0.10 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 3hg5 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hg5 s ARG 105 N -2.19 3.58 0.48 1.61 0.52 -1.26 -4.82 118.95 116.87 3hg5 s ARG 105 Ca 0.00 -0.15 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 3hg5 s ARG 105 Cb 0.00 -2.92 -0.08 0.00 0.52 0.00 0.00 34.95 32.47 3hg5 s ARG 105 CO 0.00 0.52 1.33 1.28 0.02 0.00 0.00 175.30 178.45 3hg5 n LEU 106 N 0.30 4.76 -4.21 2.53 4.77 -1.26 -1.36 117.00 122.53 3hg5 n LEU 106 Ca -0.04 1.06 -0.19 0.00 -0.03 0.00 0.00 56.01 56.81 3hg5 n LEU 106 Cb 0.52 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.94 3hg5 n LEU 106 CO 0.48 -0.55 -0.46 0.00 -1.33 0.00 0.00 177.39 175.53 3hg5 s GLN 107 N -2.50 0.93 0.62 3.23 -2.07 -1.26 -4.84 119.66 113.77 3hg5 s GLN 107 Ca 0.65 -1.09 -0.13 0.00 -1.82 0.00 0.00 55.36 52.97 3hg5 s GLN 107 Cb -0.46 -0.92 -0.03 0.00 -1.09 0.00 0.00 33.01 30.52 3hg5 s GLN 107 CO 0.55 0.19 1.04 0.00 -1.32 0.00 0.00 175.29 175.75 3hg5 s ALA 108 N -1.61 2.86 0.15 2.60 0.00 -1.26 -0.50 121.76 123.99 3hg5 s ALA 108 Ca 0.03 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 51.82 3hg5 s ALA 108 Cb -0.08 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 3hg5 s ALA 108 CO 0.03 -0.82 1.75 -3.47 0.00 0.00 0.00 175.76 173.25 3hg5 n ASP 109 N -2.47 3.81 0.19 0.00 2.03 -0.13 -3.98 116.55 116.00 3hg5 n ASP 109 Ca 0.07 1.03 0.03 0.00 0.52 0.00 0.00 54.79 56.45 3hg5 n ASP 109 Cb 0.54 -1.52 0.38 0.00 -0.72 0.00 0.00 41.12 39.79 3hg5 n ASP 109 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg5 h PRO 110 N 7.38 0.00 0.18 -0.67 0.13 -1.92 0.16 132.00 137.25 3hg5 h PRO 110 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 3hg5 h PRO 110 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.38 3hg5 h PRO 110 CO 0.94 0.34 -1.33 1.96 -0.23 0.00 0.00 178.00 179.68 3hg5 h GLN 111 N 0.00 0.45 0.00 0.86 7.50 -1.96 -3.12 115.11 118.85 3hg5 h GLN 111 Ca -0.00 -0.73 -0.19 0.00 0.50 0.00 0.00 58.65 58.23 3hg5 h GLN 111 Cb 0.60 0.26 -0.04 0.00 0.05 0.00 0.00 27.48 28.36 3hg5 h GLN 111 CO 0.04 1.34 -1.94 0.54 -1.50 0.00 0.00 178.83 177.32 3hg5 n ARG 112 N -3.67 0.66 -3.03 1.46 1.74 -1.20 -4.39 116.66 108.23 3hg5 n ARG 112 Ca -0.13 0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.73 3hg5 n ARG 112 Cb 1.04 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.83 3hg5 n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hg5 n PHE 113 N -2.65 2.57 0.34 -1.55 3.72 0.55 -1.32 117.46 119.12 3hg5 n PHE 113 Ca -0.16 -3.92 0.23 0.00 -0.05 0.00 0.00 57.45 53.54 3hg5 n PHE 113 Cb 0.88 -0.46 1.20 0.00 -0.94 0.00 0.00 39.48 40.15 3hg5 n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hg5 h PRO 114 N 2.99 0.00 -0.01 -1.08 0.13 -1.66 -1.46 132.00 130.91 3hg5 h PRO 114 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hg5 h PRO 114 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3hg5 h PRO 114 CO 0.70 0.00 -0.33 0.72 -0.23 0.00 0.00 178.00 178.85 3hg5 n HIS 115 N -3.10 0.00 0.00 1.56 8.25 -1.26 -5.02 115.22 115.65 3hg5 n HIS 115 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3hg5 n HIS 115 Cb 0.08 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3hg5 n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hg5 n GLY 116 N 1.37 -1.62 0.24 -1.41 0.00 -0.55 -4.23 105.19 98.99 3hg5 n GLY 116 Ca 0.11 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 3hg5 n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hg5 h ILE 117 N 0.00 1.28 -0.35 -0.61 1.08 -1.95 -3.06 117.51 113.90 3hg5 h ILE 117 Ca 0.00 -1.80 0.06 0.00 -0.39 0.00 0.00 64.86 62.73 3hg5 h ILE 117 Cb 0.00 1.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.42 3hg5 h ILE 117 CO 0.00 0.58 0.02 -0.09 -0.69 0.00 0.00 178.15 177.97 3hg5 h ARG 118 N 0.61 0.12 -0.08 2.37 9.65 -1.84 0.23 114.38 125.44 3hg5 h ARG 118 Ca -0.00 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 3hg5 h ARG 118 Cb 1.21 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 3hg5 h ARG 118 CO 0.13 0.08 -0.39 1.96 2.80 0.00 0.00 179.97 184.54 3hg5 h GLN 119 N 0.12 0.16 -0.53 0.20 4.20 -1.73 -1.34 115.11 116.18 3hg5 h GLN 119 Ca 0.17 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 3hg5 h GLN 119 Cb 0.23 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3hg5 h GLN 119 CO -0.27 0.54 0.02 1.25 -0.67 0.00 0.00 178.83 179.69 3hg5 h LEU 120 N 0.14 0.90 -0.62 1.46 5.85 -1.19 -2.05 115.31 119.81 3hg5 h LEU 120 Ca 0.01 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3hg5 h LEU 120 Cb 0.76 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3hg5 h LEU 120 CO 0.06 0.98 0.27 0.00 -0.34 0.00 0.00 178.44 179.41 3hg5 h ALA 121 N 0.96 0.80 -0.61 1.25 0.00 -0.35 -0.77 119.26 120.53 3hg5 h ALA 121 Ca 0.15 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hg5 h ALA 121 Cb 0.51 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3hg5 h ALA 121 CO 0.02 0.39 0.37 -0.91 0.00 0.00 0.00 179.25 179.12 3hg5 h ASN 122 N 0.85 0.60 -0.24 0.00 2.35 -1.17 0.66 115.58 118.64 3hg5 h ASN 122 Ca 0.21 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3hg5 h ASN 122 Cb 0.16 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3hg5 h ASN 122 CO -0.02 0.42 0.09 0.22 -1.65 0.00 0.00 177.43 176.49 3hg5 h TYR 123 N 0.73 0.37 -0.55 1.19 3.20 -1.21 -1.29 116.97 119.40 3hg5 h TYR 123 Ca 0.24 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3hg5 h TYR 123 Cb 0.03 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3hg5 h TYR 123 CO -0.06 0.39 0.28 0.28 -1.64 0.00 0.00 178.16 177.41 3hg5 h VAL 124 N 0.24 1.20 -0.25 1.81 2.07 -0.90 -2.82 116.25 117.59 3hg5 h VAL 124 Ca 0.08 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3hg5 h VAL 124 Cb 0.18 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3hg5 h VAL 124 CO -0.01 0.22 -0.17 0.45 0.02 0.00 0.00 177.57 178.08 3hg5 h HIS 125 N 0.74 0.46 0.00 1.57 3.86 -0.77 -1.72 115.15 119.30 3hg5 h HIS 125 Ca 0.19 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 3hg5 h HIS 125 Cb 0.10 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3hg5 h HIS 125 CO -0.01 0.58 -0.30 0.66 0.86 0.00 0.00 177.93 179.73 3hg5 h SER 126 N 0.39 0.00 -0.02 2.45 4.64 -0.99 0.15 113.55 120.16 3hg5 h SER 126 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hg5 h SER 126 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hg5 h SER 126 CO 0.03 0.30 0.00 0.29 -0.87 0.00 0.00 176.83 176.58 3hg5 n LYS 127 N -4.05 1.12 -1.10 4.77 4.76 -1.05 -4.90 118.16 117.70 3hg5 n LYS 127 Ca -0.02 -0.17 -0.03 0.00 -2.87 0.00 0.00 58.31 55.21 3hg5 n LYS 127 Cb 0.36 -1.32 -0.01 0.00 -1.84 0.00 0.00 35.03 32.21 3hg5 n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hg5 n GLY 128 N 0.86 0.64 3.80 0.72 0.00 0.04 -4.93 105.19 106.32 3hg5 n GLY 128 Ca 0.15 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 3hg5 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg5 s LEU 129 N -0.77 3.26 0.16 0.99 1.43 -0.67 -5.00 118.68 118.08 3hg5 s LEU 129 Ca 0.00 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.29 3hg5 s LEU 129 Cb 0.00 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3hg5 s LEU 129 CO 0.00 -0.57 -0.09 -0.54 0.23 0.00 0.00 176.35 175.38 3hg5 s LYS 130 N -4.00 2.08 -0.14 1.70 1.02 -0.49 -3.54 119.74 116.38 3hg5 s LYS 130 Ca 0.44 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 3hg5 s LYS 130 Cb 0.00 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3hg5 s LYS 130 CO 0.25 0.45 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.90 3hg5 s LEU 131 N -2.67 3.14 -0.04 3.17 2.96 -1.26 -0.15 118.68 123.84 3hg5 s LEU 131 Ca 0.24 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3hg5 s LEU 131 Cb -0.09 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3hg5 s LEU 131 CO 0.15 0.20 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.51 3hg5 s GLY 132 N 0.18 1.78 0.47 7.98 0.00 0.58 -0.19 107.32 118.12 3hg5 s GLY 132 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3hg5 s GLY 132 CO 0.03 -0.74 0.09 -1.50 0.00 0.00 0.00 173.10 170.98 3hg5 s ILE 133 N -0.94 0.69 -0.01 0.90 2.07 0.13 0.21 121.20 124.26 3hg5 s ILE 133 Ca 0.15 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.41 3hg5 s ILE 133 Cb -0.11 -2.16 -0.00 0.00 0.13 0.00 0.00 42.46 40.32 3hg5 s ILE 133 CO 0.05 0.00 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.55 3hg5 s TYR 134 N -3.06 0.59 0.32 3.50 5.04 -1.19 -0.98 117.35 121.57 3hg5 s TYR 134 Ca 0.13 -0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.59 3hg5 s TYR 134 Cb 0.01 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 41.94 3hg5 s TYR 134 CO 0.09 -0.02 0.49 0.00 -1.34 0.00 0.00 175.55 174.78 3hg5 s ALA 135 N -0.12 0.41 -0.01 3.97 0.00 -0.24 -4.92 121.76 120.85 3hg5 s ALA 135 Ca 0.02 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.71 3hg5 s ALA 135 Cb -0.03 1.10 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 3hg5 s ALA 135 CO -0.00 -0.82 -0.10 0.34 0.00 0.00 0.00 175.76 175.18 3hg5 s ASP 136 N -3.17 1.24 0.35 0.00 -1.08 -1.26 0.02 116.67 112.77 3hg5 s ASP 136 Ca 0.28 -0.19 0.11 0.00 -0.52 0.00 0.00 52.55 52.23 3hg5 s ASP 136 Cb -0.01 -0.16 0.66 0.00 -1.46 0.00 0.00 42.92 41.95 3hg5 s ASP 136 CO 0.17 0.12 1.80 1.62 0.52 0.00 0.00 175.17 179.40 3hg5 h VAL 137 N 4.94 1.28 -1.62 1.11 3.04 -1.06 -0.06 116.25 123.87 3hg5 h VAL 137 Ca -0.32 -1.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.04 3hg5 h VAL 137 Cb 1.17 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 3hg5 h VAL 137 CO 0.49 0.38 0.00 0.61 -1.01 0.00 0.00 177.57 178.05 3hg5 n GLY 138 N -0.41 -0.28 0.16 3.17 0.00 -1.22 -3.14 105.19 103.48 3hg5 n GLY 138 Ca -0.02 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.33 3hg5 n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hg5 h ASN 139 N 0.00 0.00 -4.71 1.61 2.35 -1.68 -2.73 115.58 110.41 3hg5 h ASN 139 Ca 0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 3hg5 h ASN 139 Cb 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.21 3hg5 h ASN 139 CO 0.00 0.37 -0.70 -0.54 -1.65 0.00 0.00 177.43 174.91 3hg5 s LYS 140 N -3.06 0.76 1.15 0.81 1.02 -1.26 -1.27 119.74 117.88 3hg5 s LYS 140 Ca 0.04 -1.24 -0.15 0.00 0.02 0.00 0.00 55.97 54.64 3hg5 s LYS 140 Cb 0.07 -0.16 0.26 0.00 -0.52 0.00 0.00 37.83 37.49 3hg5 s LYS 140 CO 0.72 -0.02 1.06 0.95 -0.92 0.00 0.00 175.35 177.14 3hg5 s THR 141 N -3.36 1.82 0.31 2.17 -4.23 0.11 -4.47 115.64 108.00 3hg5 s THR 141 Ca 0.08 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 3hg5 s THR 141 Cb 0.04 -2.32 0.13 0.00 1.34 0.00 0.00 72.50 71.68 3hg5 s THR 141 CO -0.05 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.85 3hg5 n ALA 143 N -2.48 2.67 -0.02 0.00 0.00 -1.26 -4.93 120.51 114.50 3hg5 n ALA 143 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3hg5 n ALA 143 Cb 0.30 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3hg5 n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg5 n GLY 144 N 1.15 0.98 3.93 0.00 0.00 -0.82 -5.05 105.19 105.38 3hg5 n GLY 144 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3hg5 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg5 s PHE 145 N -2.00 3.32 0.07 1.61 0.08 -1.26 -4.73 117.98 115.07 3hg5 s PHE 145 Ca 0.00 0.49 -0.37 0.00 0.12 0.00 0.00 56.93 57.16 3hg5 s PHE 145 Cb 0.00 -2.41 -0.18 0.00 -0.57 0.00 0.00 43.02 39.86 3hg5 s PHE 145 CO 0.00 -0.45 1.22 -2.30 -0.10 0.00 0.00 175.22 173.58 3hg5 n PRO 146 N -2.25 0.75 -2.57 0.24 -0.02 -1.26 0.09 135.00 129.98 3hg5 n PRO 146 Ca 0.02 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.53 3hg5 n PRO 146 Cb 0.57 -1.84 0.04 0.00 -0.02 0.00 0.00 33.50 32.25 3hg5 n PRO 146 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hg5 s GLY 147 N 0.25 1.68 0.01 -1.23 0.00 -0.40 -4.31 107.32 103.31 3hg5 s GLY 147 Ca 0.85 -1.01 0.22 0.00 0.00 0.00 0.00 44.72 44.79 3hg5 s GLY 147 CO 0.51 -0.73 1.04 1.44 0.00 0.00 0.00 173.10 175.36 3hg5 n SER 148 N -2.46 0.75 -4.65 1.64 7.64 -0.04 -4.85 113.62 111.65 3hg5 n SER 148 Ca 0.05 -0.60 -0.49 0.00 1.01 0.00 0.00 58.87 58.84 3hg5 n SER 148 Cb 0.59 0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 64.54 3hg5 n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hg5 n PHE 149 N -1.62 2.00 -0.27 1.43 7.35 -1.07 0.04 117.46 125.32 3hg5 n PHE 149 Ca 0.04 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 3hg5 n PHE 149 Cb 0.36 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.71 3hg5 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hg5 n GLY 150 N 3.28 1.80 0.28 7.13 0.00 -1.26 -4.83 105.19 111.58 3hg5 n GLY 150 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3hg5 n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hg5 n TYR 151 N -2.00 0.00 -0.33 1.61 4.01 0.11 -4.90 117.16 115.65 3hg5 n TYR 151 Ca 0.00 -0.47 0.05 0.00 -0.16 0.00 0.00 57.90 57.32 3hg5 n TYR 151 Cb 0.00 -0.09 0.21 0.00 -0.31 0.00 0.00 39.34 39.14 3hg5 n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3hg5 h TYR 152 N 0.00 1.01 -0.01 -0.72 0.05 -1.79 -0.62 116.97 114.88 3hg5 h TYR 152 Ca 0.00 0.03 -0.26 0.00 0.05 0.00 0.00 58.73 58.55 3hg5 h TYR 152 Cb 1.18 -0.31 0.02 0.00 1.01 0.00 0.00 36.73 38.63 3hg5 h TYR 152 CO 0.05 0.40 -1.02 -0.44 -1.05 0.00 0.00 178.16 176.10 3hg5 h ASP 153 N 0.89 0.88 0.12 3.88 3.32 -1.90 -2.71 116.42 120.90 3hg5 h ASP 153 Ca 0.45 -0.69 -0.25 0.00 0.02 0.00 0.00 57.03 56.56 3hg5 h ASP 153 Cb 0.44 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3hg5 h ASP 153 CO -0.26 1.49 -1.00 0.16 -1.72 0.00 0.00 179.24 177.91 3hg5 h ILE 154 N 0.39 1.32 -0.15 0.35 3.07 -1.90 -2.84 117.51 117.75 3hg5 h ILE 154 Ca -0.12 -2.32 0.01 0.00 1.55 0.00 0.00 64.86 63.98 3hg5 h ILE 154 Cb 1.67 2.39 -0.01 0.00 -0.27 0.00 0.00 36.82 40.59 3hg5 h ILE 154 CO 0.20 0.71 0.07 0.44 -1.05 0.00 0.00 178.15 178.52 3hg5 h ASP 155 N 0.34 0.11 -0.78 2.16 3.45 -1.20 0.34 116.42 120.84 3hg5 h ASP 155 Ca -0.11 0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.38 3hg5 h ASP 155 Cb 1.65 -0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 40.36 3hg5 h ASP 155 CO 0.19 0.09 0.50 0.00 -1.57 0.00 0.00 179.24 178.45 3hg5 h ALA 156 N 1.07 1.01 -0.48 3.45 0.00 -1.56 -0.88 119.26 121.87 3hg5 h ALA 156 Ca 0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3hg5 h ALA 156 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3hg5 h ALA 156 CO -0.04 0.32 -0.19 0.37 0.00 0.00 0.00 179.25 179.71 3hg5 h GLN 157 N 0.98 0.97 -0.37 0.00 5.75 -1.24 -2.37 115.11 118.83 3hg5 h GLN 157 Ca 0.31 -0.41 0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3hg5 h GLN 157 Cb -0.01 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 3hg5 h GLN 157 CO -0.10 1.08 -0.00 1.15 -2.65 0.00 0.00 178.83 178.30 3hg5 h THR 158 N 0.83 0.72 -0.73 2.39 2.02 0.27 0.13 112.91 118.53 3hg5 h THR 158 Ca 0.11 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3hg5 h THR 158 Cb 0.77 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3hg5 h THR 158 CO 0.06 0.02 0.38 -0.26 0.37 0.00 0.00 175.52 176.09 3hg5 h PHE 159 N 0.10 1.03 -0.46 3.16 0.04 -1.10 -0.59 116.94 119.12 3hg5 h PHE 159 Ca 0.18 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 3hg5 h PHE 159 Cb 0.25 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3hg5 h PHE 159 CO -0.26 0.74 -0.02 0.00 -0.60 0.00 0.00 178.31 178.17 3hg5 h ALA 160 N 1.19 0.62 -0.72 2.45 0.00 -0.92 0.96 119.26 122.84 3hg5 h ALA 160 Ca 0.25 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3hg5 h ALA 160 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3hg5 h ALA 160 CO -0.04 0.44 0.45 -0.44 0.00 0.00 0.00 179.25 179.66 3hg5 h ASP 161 N 0.67 0.75 0.71 0.00 3.32 -0.51 -1.87 116.42 119.49 3hg5 h ASP 161 Ca 0.13 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hg5 h ASP 161 Cb 0.53 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3hg5 h ASP 161 CO 0.03 0.52 0.00 0.79 -1.72 0.00 0.00 179.24 178.86 3hg5 n TRP 162 N -4.65 0.50 -1.83 4.55 8.01 -0.25 -4.90 117.44 118.88 3hg5 n TRP 162 Ca 0.08 0.19 0.00 0.00 -1.31 0.00 0.00 57.50 56.46 3hg5 n TRP 162 Cb 0.08 -0.81 0.00 0.00 -2.01 0.00 0.00 31.31 28.57 3hg5 n TRP 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hg5 n GLY 163 N 0.15 0.79 3.76 6.99 0.00 -0.69 -4.21 105.19 111.98 3hg5 n GLY 163 Ca 0.03 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3hg5 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg5 s VAL 164 N -2.35 3.80 -0.25 1.61 1.01 0.25 -4.76 120.40 119.71 3hg5 s VAL 164 Ca 0.00 1.67 0.10 0.00 0.00 0.00 0.00 61.98 63.75 3hg5 s VAL 164 Cb 0.00 -4.01 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 3hg5 s VAL 164 CO 0.00 0.29 0.32 0.47 0.00 0.00 0.00 175.10 176.19 3hg5 n ASP 165 N 0.92 1.49 -3.76 3.32 8.00 0.74 -4.72 116.55 122.54 3hg5 n ASP 165 Ca 0.00 -0.40 -0.13 0.00 0.71 0.00 0.00 54.79 54.98 3hg5 n ASP 165 Cb 0.47 1.21 -0.11 0.00 -0.02 0.00 0.00 41.12 42.67 3hg5 n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hg5 s LEU 166 N -3.02 0.79 -0.11 0.64 0.20 -0.68 -0.83 118.68 115.66 3hg5 s LEU 166 Ca 0.00 0.58 0.03 0.00 0.69 0.00 0.00 54.13 55.43 3hg5 s LEU 166 Cb 0.07 1.12 0.01 0.00 -0.43 0.00 0.00 46.19 46.96 3hg5 s LEU 166 CO 0.40 -0.15 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.90 3hg5 s LEU 167 N 0.00 1.96 -0.25 -0.68 2.96 0.95 -0.69 118.68 122.93 3hg5 s LEU 167 Ca -0.02 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 3hg5 s LEU 167 Cb -0.03 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3hg5 s LEU 167 CO 0.01 0.08 0.26 -0.75 -1.32 0.00 0.00 176.35 174.63 3hg5 s LYS 168 N 0.72 4.05 -0.25 1.98 2.20 -0.15 0.07 119.74 128.37 3hg5 s LYS 168 Ca -0.11 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.41 3hg5 s LYS 168 Cb -0.16 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3hg5 s LYS 168 CO 0.02 -0.08 -0.11 0.12 -0.36 0.00 0.00 175.35 174.93 3hg5 s PHE 169 N 1.47 3.15 0.58 4.03 5.36 0.70 -1.08 117.98 132.19 3hg5 s PHE 169 Ca 0.11 -2.22 0.01 0.00 -0.96 0.00 0.00 56.93 53.87 3hg5 s PHE 169 Cb -0.15 -1.90 0.05 0.00 -0.34 0.00 0.00 43.02 40.68 3hg5 s PHE 169 CO 0.08 -0.86 0.82 0.34 -1.46 0.00 0.00 175.22 174.13 3hg5 s ASP 170 N 1.14 5.12 0.00 6.13 -1.08 0.10 -2.44 116.67 125.65 3hg5 s ASP 170 Ca -0.07 -0.06 0.01 0.00 -0.52 0.00 0.00 52.55 51.91 3hg5 s ASP 170 Cb -0.19 -0.74 0.02 0.00 -1.46 0.00 0.00 42.92 40.55 3hg5 s ASP 170 CO -0.06 -1.27 0.93 0.61 0.52 0.00 0.00 175.17 175.90 3hg5 n GLY 171 N -2.43 2.16 3.74 2.66 0.00 -1.26 -0.49 105.19 109.57 3hg5 n GLY 171 Ca 0.09 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3hg5 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg5 n TYR 173 N -3.13 -2.17 -3.65 0.00 4.01 -1.26 -3.38 117.16 107.58 3hg5 n TYR 173 Ca 0.11 0.74 -0.29 0.00 -0.16 0.00 0.00 57.90 58.30 3hg5 n TYR 173 Cb 0.52 -3.91 -0.14 0.00 -0.31 0.00 0.00 39.34 35.50 3hg5 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg5 n ASP 175 N 4.56 2.63 -4.50 0.00 8.00 -1.26 -4.82 116.55 121.16 3hg5 n ASP 175 Ca 0.01 -1.91 -0.36 0.00 0.71 0.00 0.00 54.79 53.25 3hg5 n ASP 175 Cb 0.40 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 3hg5 n ASP 175 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hg5 s SER 176 N -1.33 5.31 0.25 -2.24 0.15 -1.26 -4.99 113.70 109.59 3hg5 s SER 176 Ca 0.35 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 3hg5 s SER 176 Cb 0.19 -1.95 0.42 0.00 -1.71 0.00 0.00 66.02 62.98 3hg5 s SER 176 CO 0.27 0.01 1.81 0.25 1.20 0.00 0.00 173.24 176.78 3hg5 h LEU 177 N 7.88 0.70 0.47 3.45 6.46 -1.97 -1.06 115.31 131.24 3hg5 h LEU 177 Ca -0.37 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 3hg5 h LEU 177 Cb 1.18 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 3hg5 h LEU 177 CO 0.60 0.39 -0.23 -0.33 -0.62 0.00 0.00 178.44 178.25 3hg5 h GLU 178 N 0.81 -0.61 -0.86 1.25 5.08 -1.99 -2.70 114.58 115.55 3hg5 h GLU 178 Ca 0.41 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.96 3hg5 h GLU 178 Cb 0.39 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 3hg5 h GLU 178 CO -0.25 -0.34 0.46 -0.91 -1.00 0.00 0.00 179.01 176.96 3hg5 h ASN 179 N -0.79 0.56 0.39 1.42 -0.26 -1.92 0.81 115.58 115.79 3hg5 h ASN 179 Ca -0.06 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 3hg5 h ASN 179 Cb 0.56 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 3hg5 h ASN 179 CO 0.11 0.24 -0.32 0.25 -1.06 0.00 0.00 177.43 176.65 3hg5 h LEU 180 N 0.65 -0.84 0.14 1.61 5.85 -1.19 0.21 115.31 121.75 3hg5 h LEU 180 Ca 0.47 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.25 3hg5 h LEU 180 Cb 0.65 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3hg5 h LEU 180 CO -0.36 -0.47 -0.07 0.00 -0.34 0.00 0.00 178.44 177.21 3hg5 h ALA 181 N -0.22 -0.19 -0.88 1.25 0.00 -1.10 -1.82 119.26 116.30 3hg5 h ALA 181 Ca -0.03 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hg5 h ALA 181 Cb 0.62 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3hg5 h ALA 181 CO -0.02 -0.56 0.55 -0.44 0.00 0.00 0.00 179.25 178.79 3hg5 h ASP 182 N -0.28 0.88 -0.02 0.00 3.32 -0.85 -1.33 116.42 118.15 3hg5 h ASP 182 Ca -0.02 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hg5 h ASP 182 Cb 0.22 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hg5 h ASP 182 CO 0.03 0.57 0.01 1.23 -1.72 0.00 0.00 179.24 179.36 3hg5 h GLY 183 N 1.02 0.03 1.02 2.75 0.00 -0.44 0.19 103.07 107.64 3hg5 h GLY 183 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 3hg5 h GLY 183 CO -0.17 0.02 0.49 -0.97 0.00 0.00 0.00 176.54 175.91 3hg5 h TYR 184 N -0.13 1.15 -0.15 5.60 0.05 -1.18 -0.62 116.97 121.68 3hg5 h TYR 184 Ca 0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 3hg5 h TYR 184 Cb 0.16 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3hg5 h TYR 184 CO -0.02 0.78 0.03 0.87 -1.05 0.00 0.00 178.16 178.77 3hg5 h LYS 185 N 1.18 0.24 0.00 4.88 1.57 -1.19 -2.66 116.57 120.60 3hg5 h LYS 185 Ca 0.30 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3hg5 h LYS 185 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3hg5 h LYS 185 CO -0.05 0.42 -0.08 1.25 -0.57 0.00 0.00 179.45 180.41 3hg5 h HIS 186 N 0.03 -0.21 -0.49 -1.35 2.76 -0.35 -2.71 115.15 112.84 3hg5 h HIS 186 Ca 0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3hg5 h HIS 186 Cb 0.29 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3hg5 h HIS 186 CO 0.01 -0.13 0.25 1.98 -1.30 0.00 0.00 177.93 178.74 3hg5 h MET 187 N -0.15 0.67 -0.26 5.26 1.85 -1.18 0.20 114.93 121.33 3hg5 h MET 187 Ca 0.03 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.08 3hg5 h MET 187 Cb 0.18 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 3hg5 h MET 187 CO -0.08 0.51 0.08 1.03 -0.40 0.00 0.00 176.91 178.05 3hg5 h SER 188 N 0.68 0.07 0.58 1.39 0.87 -1.18 -0.94 113.55 115.02 3hg5 h SER 188 Ca 0.17 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.60 3hg5 h SER 188 Cb 0.05 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3hg5 h SER 188 CO -0.03 0.07 -0.74 -0.07 -0.53 0.00 0.00 176.83 175.54 3hg5 h LEU 189 N 0.19 0.15 -0.96 2.23 3.38 -1.14 -2.52 115.31 116.64 3hg5 h LEU 189 Ca 0.11 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3hg5 h LEU 189 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hg5 h LEU 189 CO -0.13 0.84 0.07 0.00 0.09 0.00 0.00 178.44 179.31 3hg5 h ALA 190 N 1.16 1.15 -0.15 1.53 0.00 -0.34 -1.52 119.26 121.09 3hg5 h ALA 190 Ca -0.02 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3hg5 h ALA 190 Cb 1.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hg5 h ALA 190 CO 0.11 0.56 -0.37 -0.07 0.00 0.00 0.00 179.25 179.48 3hg5 h LEU 191 N 0.78 0.59 -0.79 0.00 3.38 -1.15 -3.26 115.31 114.86 3hg5 h LEU 191 Ca 0.16 -0.58 0.12 0.00 0.09 0.00 0.00 57.88 57.68 3hg5 h LEU 191 Cb 0.38 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3hg5 h LEU 191 CO 0.01 1.06 0.39 -1.13 0.09 0.00 0.00 178.44 178.86 3hg5 h ASN 192 N 0.14 0.48 0.55 -0.43 -0.73 -1.21 -2.02 115.58 112.37 3hg5 h ASN 192 Ca -0.00 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.25 3hg5 h ASN 192 Cb 0.98 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.57 3hg5 h ASN 192 CO 0.08 0.23 0.00 0.54 -0.37 0.00 0.00 177.43 177.91 3hg5 n ARG 193 N -4.88 0.01 0.11 6.67 1.74 -0.59 -2.06 116.66 117.66 3hg5 n ARG 193 Ca 0.14 0.24 -0.01 0.00 -0.77 0.00 0.00 57.85 57.45 3hg5 n ARG 193 Cb 0.36 -1.52 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3hg5 n ARG 193 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3hg5 h THR 194 N 0.00 1.30 0.00 0.55 1.35 -1.43 -3.48 112.91 111.20 3hg5 h THR 194 Ca 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 3hg5 h THR 194 Cb 0.28 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3hg5 h THR 194 CO 0.00 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3hg5 n GLY 195 N 0.99 0.98 3.76 5.82 0.00 -0.88 -5.04 105.19 110.82 3hg5 n GLY 195 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3hg5 n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hg5 s ARG 196 N -0.39 4.45 -0.53 1.61 3.00 -1.26 -5.01 118.95 120.82 3hg5 s ARG 196 Ca 0.00 0.98 -0.28 0.00 -1.00 0.00 0.00 55.73 55.43 3hg5 s ARG 196 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 34.95 31.61 3hg5 s ARG 196 CO 0.00 0.35 1.59 -1.12 0.00 0.00 0.00 175.30 176.12 3hg5 s SER 197 N -0.26 5.89 -0.11 -2.12 0.01 -1.26 -4.83 113.70 111.02 3hg5 s SER 197 Ca 0.36 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.12 3hg5 s SER 197 Cb -0.20 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.51 3hg5 s SER 197 CO 0.22 -1.86 -0.10 -0.63 0.41 0.00 0.00 173.24 171.28 3hg5 s ILE 198 N 6.90 1.17 0.03 1.44 1.01 -1.26 -4.70 121.20 125.79 3hg5 s ILE 198 Ca 0.61 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 3hg5 s ILE 198 Cb -0.13 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.14 3hg5 s ILE 198 CO 0.26 0.39 1.47 -0.69 0.00 0.00 0.00 174.94 176.37 3hg5 s VAL 199 N 1.42 3.48 -0.39 2.92 1.01 -0.01 -4.86 120.40 123.98 3hg5 s VAL 199 Ca 0.00 0.91 -0.13 0.00 0.00 0.00 0.00 61.98 62.76 3hg5 s VAL 199 Cb -0.13 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3hg5 s VAL 199 CO -0.06 0.00 0.25 -0.47 0.00 0.00 0.00 175.10 174.82 3hg5 s TYR 200 N 2.37 3.24 -0.28 5.22 5.04 -1.26 -0.04 117.35 131.65 3hg5 s TYR 200 Ca 0.67 -0.78 -0.08 0.00 -2.44 0.00 0.00 57.07 54.43 3hg5 s TYR 200 Cb -0.34 -2.50 -0.02 0.00 0.35 0.00 0.00 41.96 39.45 3hg5 s TYR 200 CO 0.28 -0.61 0.10 0.45 -1.34 0.00 0.00 175.55 174.43 3hg5 s SER 201 N 1.61 5.31 0.03 4.32 0.15 0.11 -1.17 113.70 124.06 3hg5 s SER 201 Ca 0.03 -0.36 0.04 0.00 0.70 0.00 0.00 55.95 56.37 3hg5 s SER 201 Cb -0.19 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 3hg5 s SER 201 CO 0.08 -0.11 -0.08 0.00 1.20 0.00 0.00 173.24 174.34 3hg5 n GLU 203 N 1.33 2.98 -0.38 0.00 1.02 -1.02 -0.91 120.64 123.66 3hg5 n GLU 203 Ca -0.15 -2.48 -0.06 0.00 -0.02 0.00 0.00 57.16 54.45 3hg5 n GLU 203 Cb 0.52 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3hg5 n GLU 203 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3hg5 n TRP 204 N 0.08 -0.21 -0.12 -0.32 -0.00 -1.26 -2.20 117.44 113.41 3hg5 n TRP 204 Ca 0.17 1.17 -0.07 0.00 -0.00 0.00 0.00 57.50 58.78 3hg5 n TRP 204 Cb 0.68 -0.71 0.11 0.00 -0.00 0.00 0.00 31.31 31.39 3hg5 n TRP 204 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3hg5 h PRO 205 N 0.00 0.83 -0.87 5.87 0.11 -1.87 -2.65 132.00 133.42 3hg5 h PRO 205 Ca 0.23 -0.28 0.03 0.00 0.11 0.00 0.00 66.00 66.10 3hg5 h PRO 205 Cb 0.47 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.46 3hg5 h PRO 205 CO -0.91 0.89 0.58 1.25 -0.21 0.00 0.00 178.00 179.60 3hg5 h LEU 206 N 0.75 0.96 -1.47 2.35 5.85 -1.07 -2.09 115.31 120.59 3hg5 h LEU 206 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hg5 h LEU 206 Cb 0.59 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3hg5 h LEU 206 CO 0.04 0.67 0.00 -1.22 -0.34 0.00 0.00 178.44 177.58 3hg5 n TYR 207 N -4.43 0.34 -0.12 1.25 4.01 -1.03 -3.95 117.16 113.22 3hg5 n TYR 207 Ca 0.11 -0.17 -0.15 0.00 -0.16 0.00 0.00 57.90 57.53 3hg5 n TYR 207 Cb 0.09 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.98 3hg5 n TYR 207 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 3hg5 n MET 208 N 0.68 0.67 -0.27 -0.72 1.56 -0.82 -4.60 117.12 113.62 3hg5 n MET 208 Ca 0.17 0.09 0.05 0.00 -0.27 0.00 0.00 57.70 57.73 3hg5 n MET 208 Cb 0.40 -1.52 0.14 0.00 2.15 0.00 0.00 33.22 34.39 3hg5 n MET 208 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 3hg5 h TRP 209 N 0.00 -0.17 -0.37 1.12 4.06 -1.47 0.19 115.95 119.32 3hg5 h TRP 209 Ca -0.57 0.06 0.11 0.00 2.06 0.00 0.00 58.89 60.55 3hg5 h TRP 209 Cb 2.03 0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 30.38 3hg5 h TRP 209 CO 0.02 -0.28 0.65 -1.35 -3.56 0.00 0.00 178.44 173.91 3hg5 h PRO 210 N 0.06 0.00 0.00 0.49 0.11 -1.81 -3.26 132.00 127.59 3hg5 h PRO 210 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3hg5 h PRO 210 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3hg5 h PRO 210 CO -0.72 0.00 -0.59 1.19 -0.21 0.00 0.00 178.00 177.66 3hg5 n PHE 211 N -3.21 0.00 -4.11 0.65 3.01 0.53 -5.11 117.46 109.21 3hg5 n PHE 211 Ca 0.07 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.43 3hg5 n PHE 211 Cb 0.79 -0.30 -0.09 0.00 -0.01 0.00 0.00 39.48 39.87 3hg5 n PHE 211 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3hg5 s GLN 212 N -2.50 0.99 0.11 -1.08 -0.21 -0.33 -5.13 119.66 111.51 3hg5 s GLN 212 Ca -0.17 -1.39 -0.31 0.00 0.02 0.00 0.00 55.36 53.50 3hg5 s GLN 212 Cb 0.02 0.27 -0.08 0.00 1.00 0.00 0.00 33.01 34.22 3hg5 s GLN 212 CO 0.25 -0.30 1.49 -1.59 -2.12 0.00 0.00 175.29 173.02 3hg5 s LYS 213 N -4.04 4.26 0.45 2.91 -2.85 -1.26 -3.35 119.74 115.87 3hg5 s LYS 213 Ca 0.23 2.19 -0.24 0.00 -1.00 0.00 0.00 55.97 57.16 3hg5 s LYS 213 Cb 0.07 -3.33 -0.07 0.00 -2.06 0.00 0.00 37.83 32.44 3hg5 s LYS 213 CO 0.02 -0.56 1.23 -2.14 0.10 0.00 0.00 175.35 174.01 3hg5 s PRO 214 N 1.56 3.76 -0.59 1.78 0.02 -1.26 -4.98 135.00 135.28 3hg5 s PRO 214 Ca 0.68 1.96 -0.23 0.00 0.02 0.00 0.00 61.00 63.43 3hg5 s PRO 214 Cb -0.39 -2.52 0.06 0.00 0.02 0.00 0.00 34.50 31.67 3hg5 s PRO 214 CO 0.30 -0.61 0.91 1.21 -0.33 0.00 0.00 177.00 178.48 3hg5 s ASN 215 N -1.09 6.25 0.27 2.53 3.84 -1.26 -4.91 114.94 120.56 3hg5 s ASN 215 Ca 0.62 -0.73 0.12 0.00 0.21 0.00 0.00 52.86 53.09 3hg5 s ASN 215 Cb -0.33 -2.41 0.30 0.00 -0.55 0.00 0.00 41.25 38.26 3hg5 s ASN 215 CO 0.41 -1.28 1.56 1.88 -2.79 0.00 0.00 177.10 176.89 3hg5 h TYR 216 N 9.38 0.00 -0.80 0.43 0.05 -1.94 -1.85 116.97 122.24 3hg5 h TYR 216 Ca -0.28 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.52 3hg5 h TYR 216 Cb 1.08 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.77 3hg5 h TYR 216 CO 0.91 0.62 0.53 1.15 -1.05 0.00 0.00 178.16 180.33 3hg5 h THR 217 N 0.00 1.20 -0.24 -2.88 2.02 -1.97 0.28 112.91 111.31 3hg5 h THR 217 Ca -0.01 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 3hg5 h THR 217 Cb 1.20 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3hg5 h THR 217 CO 0.08 0.20 -0.18 -0.08 0.37 0.00 0.00 175.52 175.91 3hg5 h GLU 218 N 1.08 0.55 -0.21 6.66 4.81 -1.91 -2.91 114.58 122.65 3hg5 h GLU 218 Ca 0.30 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hg5 h GLU 218 Cb -0.11 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hg5 h GLU 218 CO -0.07 0.84 0.09 0.82 -0.73 0.00 0.00 179.01 179.96 3hg5 h ILE 219 N 0.26 1.16 -0.84 2.32 2.04 -1.21 -2.96 117.51 118.29 3hg5 h ILE 219 Ca 0.05 -0.49 0.14 0.00 1.00 0.00 0.00 64.86 65.56 3hg5 h ILE 219 Cb 0.72 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3hg5 h ILE 219 CO 0.05 0.16 0.55 -0.09 0.00 0.00 0.00 178.15 178.81 3hg5 h ARG 220 N 0.19 0.58 -0.24 2.37 2.43 -0.97 -0.30 114.38 118.43 3hg5 h ARG 220 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hg5 h ARG 220 Cb 0.17 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3hg5 h ARG 220 CO -0.01 0.38 0.09 0.37 -1.51 0.00 0.00 179.97 179.30 3hg5 h GLN 221 N 0.60 0.34 0.00 0.20 4.15 -1.33 0.28 115.11 119.34 3hg5 h GLN 221 Ca 0.41 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 3hg5 h GLN 221 Cb 0.74 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 3hg5 h GLN 221 CO -0.17 0.29 -1.65 0.66 -1.93 0.00 0.00 178.83 176.03 3hg5 n TYR 222 N -4.43 0.00 -5.11 3.99 4.01 -0.61 -4.37 117.16 110.65 3hg5 n TYR 222 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 3hg5 n TYR 222 Cb 0.13 -0.33 -0.16 0.00 -0.31 0.00 0.00 39.34 38.67 3hg5 n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg5 h ASN 224 N 5.47 0.26 -5.01 0.00 -0.26 -1.30 -1.93 115.58 112.80 3hg5 h ASN 224 Ca -0.41 -0.20 0.02 0.00 -0.56 0.00 0.00 56.30 55.14 3hg5 h ASN 224 Cb 1.13 -0.08 -0.09 0.00 -1.06 0.00 0.00 38.32 38.22 3hg5 h ASN 224 CO 0.47 1.00 0.19 -1.38 -1.06 0.00 0.00 177.43 176.65 3hg5 s HIS 225 N -3.23 -0.34 -0.13 1.19 -3.43 -1.17 -1.34 115.29 106.84 3hg5 s HIS 225 Ca -0.03 0.01 -0.06 0.00 -0.80 0.00 0.00 55.06 54.18 3hg5 s HIS 225 Cb 0.10 0.59 0.06 0.00 -1.43 0.00 0.00 32.58 31.90 3hg5 s HIS 225 CO 0.83 -1.02 0.30 1.67 -2.00 0.00 0.00 174.74 174.52 3hg5 s TRP 226 N -3.84 -0.45 -0.04 0.38 -2.14 -0.44 -0.88 118.94 111.54 3hg5 s TRP 226 Ca 0.06 1.01 -0.30 0.00 2.66 0.00 0.00 56.10 59.53 3hg5 s TRP 226 Cb -0.03 0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.37 3hg5 s TRP 226 CO -0.04 -0.32 1.56 1.03 -2.66 0.00 0.00 176.95 176.53 3hg5 s ARG 227 N 1.79 4.21 -0.16 3.25 1.81 -0.09 0.23 118.95 130.00 3hg5 s ARG 227 Ca -0.05 2.11 0.14 0.00 -1.72 0.00 0.00 55.73 56.21 3hg5 s ARG 227 Cb -0.11 -3.81 -0.24 0.00 -0.45 0.00 0.00 34.95 30.34 3hg5 s ARG 227 CO -0.10 -0.76 0.23 0.09 -0.68 0.00 0.00 175.30 174.09 3hg5 n ASN 228 N 6.46 0.49 -4.31 0.23 5.03 -1.15 -2.39 115.26 119.62 3hg5 n ASN 228 Ca 0.16 0.12 -0.16 0.00 0.87 0.00 0.00 54.58 55.56 3hg5 n ASN 228 Cb 0.43 0.51 -0.10 0.00 -1.02 0.00 0.00 39.78 39.59 3hg5 n ASN 228 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3hg5 s PHE 229 N -2.53 1.49 0.56 3.10 5.36 -1.26 -4.09 117.98 120.62 3hg5 s PHE 229 Ca -0.11 -1.04 -0.18 0.00 -0.96 0.00 0.00 56.93 54.64 3hg5 s PHE 229 Cb 0.07 -0.88 -0.09 0.00 -0.34 0.00 0.00 43.02 41.79 3hg5 s PHE 229 CO 0.81 -0.18 0.55 0.00 -1.46 0.00 0.00 175.22 174.93 3hg5 n ALA 230 N -0.41 -1.09 -1.61 11.12 0.00 -1.26 -4.86 120.51 122.40 3hg5 n ALA 230 Ca -0.03 -0.01 -0.49 0.00 0.00 0.00 0.00 53.44 52.91 3hg5 n ALA 230 Cb 0.65 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3hg5 n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hg5 n ASP 231 N 0.48 1.95 -4.76 0.00 9.92 -1.26 -4.95 116.55 117.92 3hg5 n ASP 231 Ca 0.12 1.13 -0.35 0.00 -0.53 0.00 0.00 54.79 55.16 3hg5 n ASP 231 Cb 0.47 -1.28 0.03 0.00 -0.64 0.00 0.00 41.12 39.70 3hg5 n ASP 231 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hg5 s ILE 232 N 0.19 2.98 0.25 0.53 2.07 -1.26 -5.07 121.20 120.90 3hg5 s ILE 232 Ca 0.76 0.57 0.02 0.00 -1.41 0.00 0.00 60.65 60.59 3hg5 s ILE 232 Cb -0.82 -3.18 -0.01 0.00 0.13 0.00 0.00 42.46 38.59 3hg5 s ILE 232 CO 0.48 -0.17 0.06 -0.90 -1.91 0.00 0.00 174.94 172.50 3hg5 n ASP 233 N -1.71 1.57 -3.77 4.50 5.68 -1.26 -4.97 116.55 116.59 3hg5 n ASP 233 Ca 0.12 -2.27 -0.42 0.00 -0.50 0.00 0.00 54.79 51.72 3hg5 n ASP 233 Cb 0.51 0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 3hg5 n ASP 233 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hg5 n ASP 234 N -1.59 5.22 -3.66 -1.12 -0.08 -1.26 -4.84 116.55 109.22 3hg5 n ASP 234 Ca -0.06 -3.03 -0.15 0.00 -1.51 0.00 0.00 54.79 50.04 3hg5 n ASP 234 Cb 0.36 -1.51 -0.08 0.00 2.34 0.00 0.00 41.12 42.23 3hg5 n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3hg5 s SER 235 N 1.38 -0.40 0.22 1.67 1.04 -1.26 -4.13 113.70 112.22 3hg5 s SER 235 Ca 0.44 0.40 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 3hg5 s SER 235 Cb 0.12 0.45 0.20 0.00 0.10 0.00 0.00 66.02 66.90 3hg5 s SER 235 CO -0.03 -0.49 1.73 -0.25 0.98 0.00 0.00 173.24 175.18 3hg5 h TRP 236 N 3.63 1.07 -0.70 5.02 -0.00 -1.90 -2.87 115.95 120.19 3hg5 h TRP 236 Ca -0.28 -0.14 0.15 0.00 -0.00 0.00 0.00 58.89 58.62 3hg5 h TRP 236 Cb 1.16 -0.30 -0.11 0.00 -0.00 0.00 0.00 29.16 29.91 3hg5 h TRP 236 CO 0.46 0.90 0.08 -0.22 -0.00 0.00 0.00 178.44 179.65 3hg5 h LYS 237 N 0.95 0.17 -0.47 2.65 3.64 -1.96 -1.17 116.57 120.39 3hg5 h LYS 237 Ca 0.19 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3hg5 h LYS 237 Cb 0.41 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3hg5 h LYS 237 CO 0.01 0.11 0.01 1.03 -2.27 0.00 0.00 179.45 178.34 3hg5 h SER 238 N 0.17 0.80 0.21 4.20 0.87 -1.85 -1.70 113.55 116.26 3hg5 h SER 238 Ca 0.38 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3hg5 h SER 238 Cb 0.65 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3hg5 h SER 238 CO -0.55 0.91 -0.13 0.40 -0.53 0.00 0.00 176.83 176.92 3hg5 h ILE 239 N 0.67 0.72 -0.54 2.23 1.08 -1.24 -1.80 117.51 118.63 3hg5 h ILE 239 Ca 0.13 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.71 3hg5 h ILE 239 Cb 0.49 0.72 -0.09 0.00 -3.07 0.00 0.00 36.82 34.87 3hg5 h ILE 239 CO 0.02 0.00 0.03 0.11 -0.69 0.00 0.00 178.15 177.63 3hg5 h LYS 240 N -0.33 0.15 -0.08 2.37 1.57 -1.15 -0.48 116.57 118.62 3hg5 h LYS 240 Ca -0.02 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3hg5 h LYS 240 Cb 0.28 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3hg5 h LYS 240 CO 0.02 0.10 -0.41 0.66 -0.57 0.00 0.00 179.45 179.25 3hg5 h SER 241 N 0.15 0.18 -0.33 0.86 4.64 -1.04 0.11 113.55 118.12 3hg5 h SER 241 Ca 0.28 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.42 3hg5 h SER 241 Cb 0.42 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3hg5 h SER 241 CO -0.43 0.58 -0.22 0.40 -0.87 0.00 0.00 176.83 176.29 3hg5 h ILE 242 N 0.14 1.29 -0.30 0.95 2.04 -0.80 -1.63 117.51 119.20 3hg5 h ILE 242 Ca 0.01 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 3hg5 h ILE 242 Cb 0.79 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3hg5 h ILE 242 CO 0.06 0.44 0.06 -0.07 0.00 0.00 0.00 178.15 178.64 3hg5 h LEU 243 N 0.49 0.48 -0.94 1.44 3.38 -0.76 -2.21 115.31 117.18 3hg5 h LEU 243 Ca 0.07 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3hg5 h LEU 243 Cb 0.77 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hg5 h LEU 243 CO 0.06 0.61 -0.22 0.44 0.09 0.00 0.00 178.44 179.42 3hg5 h ASP 244 N 0.33 0.51 -0.43 -0.43 3.32 -0.99 -0.66 116.42 118.07 3hg5 h ASP 244 Ca 0.09 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 3hg5 h ASP 244 Cb 0.33 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hg5 h ASP 244 CO 0.00 0.74 -0.31 -0.25 -1.72 0.00 0.00 179.24 177.70 3hg5 h TRP 245 N 0.46 1.15 -0.01 4.55 7.01 -1.28 -1.52 115.95 126.29 3hg5 h TRP 245 Ca 0.07 -0.31 -0.00 0.00 2.11 0.00 0.00 58.89 60.76 3hg5 h TRP 245 Cb 0.64 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3hg5 h TRP 245 CO 0.02 1.15 0.00 1.15 -2.79 0.00 0.00 178.44 177.97 3hg5 h THR 246 N 0.81 1.19 -0.02 2.65 2.02 -1.02 -1.45 112.91 117.10 3hg5 h THR 246 Ca 0.08 -0.57 -0.12 0.00 0.77 0.00 0.00 66.41 66.57 3hg5 h THR 246 Cb 0.90 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3hg5 h THR 246 CO 0.08 0.15 -0.57 0.77 0.37 0.00 0.00 175.52 176.32 3hg5 h SER 247 N -0.21 0.06 -0.14 4.18 4.64 -1.18 -0.35 113.55 120.54 3hg5 h SER 247 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3hg5 h SER 247 Cb 0.24 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3hg5 h SER 247 CO 0.00 0.62 -0.20 0.15 -0.87 0.00 0.00 176.83 176.53 3hg5 h PHE 248 N 0.04 0.62 -0.64 4.77 3.57 -1.19 -3.18 116.94 120.94 3hg5 h PHE 248 Ca -0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3hg5 h PHE 248 Cb 1.02 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3hg5 h PHE 248 CO 0.00 0.72 0.00 0.09 -2.23 0.00 0.00 178.31 176.90 3hg5 n ASN 249 N -4.14 4.06 0.04 0.41 3.02 -0.56 -4.72 115.26 113.37 3hg5 n ASN 249 Ca 0.00 -2.17 0.02 0.00 -0.03 0.00 0.00 54.58 52.40 3hg5 n ASN 249 Cb 0.38 -0.48 0.35 0.00 -0.61 0.00 0.00 39.78 39.43 3hg5 n ASN 249 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3hg5 h GLN 250 N 3.82 0.44 0.00 3.52 3.07 -1.05 -0.58 115.11 124.33 3hg5 h GLN 250 Ca 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 3hg5 h GLN 250 Cb 1.11 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.60 3hg5 h GLN 250 CO 0.08 0.45 -0.01 0.93 0.09 0.00 0.00 178.83 180.37 3hg5 h GLU 251 N 0.43 0.00 0.21 0.06 5.08 -1.85 -1.48 114.58 117.03 3hg5 h GLU 251 Ca 0.10 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.18 3hg5 h GLU 251 Cb 0.26 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.54 3hg5 h GLU 251 CO 0.00 0.01 -1.22 0.00 -1.00 0.00 0.00 179.01 176.80 3hg5 h ARG 252 N 0.00 0.45 0.00 2.33 3.08 -1.48 -3.43 114.38 115.33 3hg5 h ARG 252 Ca -0.00 -0.76 -0.04 0.00 0.07 0.00 0.00 59.98 59.24 3hg5 h ARG 252 Cb 0.02 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3hg5 h ARG 252 CO 0.00 1.37 -1.49 0.44 -1.07 0.00 0.00 179.97 179.22 3hg5 n ILE 253 N -3.88 0.17 0.05 2.04 -5.35 -1.03 -4.67 119.36 106.68 3hg5 n ILE 253 Ca -0.16 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 61.93 3hg5 n ILE 253 Cb 0.99 -0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.82 3hg5 n ILE 253 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3hg5 h VAL 254 N 0.00 0.99 0.00 7.28 2.07 -1.56 -3.18 116.25 121.86 3hg5 h VAL 254 Ca -0.07 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3hg5 h VAL 254 Cb 0.75 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3hg5 h VAL 254 CO 0.00 0.02 0.00 0.44 0.02 0.00 0.00 177.57 178.05 3hg5 h ASP 255 N -0.07 0.00 1.37 0.57 3.32 -1.84 -2.89 116.42 116.88 3hg5 h ASP 255 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3hg5 h ASP 255 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hg5 h ASP 255 CO 0.01 0.00 -0.15 -0.37 -1.72 0.00 0.00 179.24 177.01 3hg5 h VAL 256 N 0.00 0.30 -4.00 -1.35 -1.51 -1.82 -3.45 116.25 104.42 3hg5 h VAL 256 Ca 0.00 -1.12 -0.50 0.00 -1.23 0.00 0.00 66.70 63.85 3hg5 h VAL 256 Cb 0.75 1.89 0.06 0.00 -2.13 0.00 0.00 31.29 31.85 3hg5 h VAL 256 CO 0.00 0.14 0.48 0.00 -1.23 0.00 0.00 177.57 176.96 3hg5 s ALA 257 N -3.40 2.99 0.00 5.19 0.00 -1.09 -4.88 121.76 120.57 3hg5 s ALA 257 Ca 0.03 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3hg5 s ALA 257 Cb 0.08 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3hg5 s ALA 257 CO 0.64 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3hg5 n GLY 258 N 0.43 1.33 3.68 0.00 0.00 -0.04 -4.63 105.19 105.97 3hg5 n GLY 258 Ca 0.07 -0.91 -0.64 0.00 0.00 0.00 0.00 46.02 44.53 3hg5 n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg5 n PRO 259 N -0.49 0.28 -0.10 1.61 -0.02 -1.26 -0.54 135.00 134.48 3hg5 n PRO 259 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3hg5 n PRO 259 Cb 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3hg5 n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hg5 n GLY 260 N 4.49 0.70 3.12 -1.23 0.00 0.11 -4.89 105.19 107.49 3hg5 n GLY 260 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.36 3hg5 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hg5 s GLY 261 N -1.69 -0.88 0.06 -0.02 0.00 0.30 -0.30 107.32 104.78 3hg5 s GLY 261 Ca 0.00 1.69 0.08 0.00 0.00 0.00 0.00 44.72 46.49 3hg5 s GLY 261 CO 0.00 3.23 -0.22 -0.98 0.00 0.00 0.00 173.10 175.13 3hg5 s TRP 262 N 2.80 1.90 0.25 1.90 0.52 -0.45 -0.86 118.94 125.01 3hg5 s TRP 262 Ca 0.18 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.62 3hg5 s TRP 262 Cb -0.15 -1.11 -0.09 0.00 -1.15 0.00 0.00 33.47 30.97 3hg5 s TRP 262 CO -0.20 0.13 1.26 -0.80 0.02 0.00 0.00 176.95 177.36 3hg5 s ASN 263 N -1.35 6.94 -0.33 2.95 0.01 -1.26 -1.32 114.94 120.58 3hg5 s ASN 263 Ca 0.08 2.45 -0.01 0.00 -0.71 0.00 0.00 52.86 54.68 3hg5 s ASN 263 Cb -0.09 -2.62 0.07 0.00 0.41 0.00 0.00 41.25 39.02 3hg5 s ASN 263 CO 0.02 -0.44 0.04 -0.62 -1.51 0.00 0.00 177.10 174.59 3hg5 s ASP 264 N -0.16 4.91 0.00 -1.22 2.15 0.13 -4.29 116.67 118.20 3hg5 s ASP 264 Ca 0.52 -1.60 0.08 0.00 0.43 0.00 0.00 52.55 51.98 3hg5 s ASP 264 Cb -0.36 -1.71 0.31 0.00 -0.30 0.00 0.00 42.92 40.86 3hg5 s ASP 264 CO 0.43 -0.34 1.23 -0.81 -0.17 0.00 0.00 175.17 175.51 3hg5 n PRO 265 N 4.54 1.38 0.00 4.34 -0.04 -1.26 -2.96 135.00 141.00 3hg5 n PRO 265 Ca -0.08 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 3hg5 n PRO 265 Cb 0.42 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 3hg5 n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hg5 n ASP 266 N -0.06 0.00 -4.73 3.54 -0.08 -1.26 -4.84 116.55 109.12 3hg5 n ASP 266 Ca 0.08 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.97 3hg5 n ASP 266 Cb 0.15 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.66 3hg5 n ASP 266 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3hg5 n MET 267 N -0.41 1.52 -2.37 -0.67 2.81 -1.26 -4.80 117.12 111.93 3hg5 n MET 267 Ca 0.00 0.57 -0.42 0.00 -1.81 0.00 0.00 57.70 56.04 3hg5 n MET 267 Cb 0.00 -2.53 -0.03 0.00 -0.71 0.00 0.00 33.22 29.95 3hg5 n MET 267 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3hg5 s LEU 268 N -3.45 4.39 -0.02 4.03 1.43 0.36 -4.91 118.68 120.53 3hg5 s LEU 268 Ca 0.74 2.12 0.05 0.00 -1.03 0.00 0.00 54.13 56.01 3hg5 s LEU 268 Cb -0.41 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.34 3hg5 s LEU 268 CO 0.47 -0.46 1.09 1.33 0.23 0.00 0.00 176.35 179.01 3hg5 n VAL 269 N 3.51 1.11 -1.73 -1.59 0.24 -1.26 -0.77 118.33 117.83 3hg5 n VAL 269 Ca 0.08 -1.12 -0.42 0.00 -2.04 0.00 0.00 64.34 60.84 3hg5 n VAL 269 Cb 0.45 0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 33.23 3hg5 n VAL 269 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3hg5 n ILE 270 N -0.30 1.39 0.00 1.34 5.41 -1.26 -3.22 119.36 122.73 3hg5 n ILE 270 Ca 0.05 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.45 3hg5 n ILE 270 Cb 0.35 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 3hg5 n ILE 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hg5 n GLY 271 N 1.55 0.53 0.00 7.39 0.00 -1.26 -4.80 105.19 108.60 3hg5 n GLY 271 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hg5 n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hg5 n ASN 272 N 0.00 0.00 0.00 1.61 3.02 -1.20 -4.73 115.26 113.96 3hg5 n ASN 272 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hg5 n ASN 272 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3hg5 n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hg5 n PHE 273 N 0.00 0.00 0.29 3.10 3.72 -1.26 -4.88 117.46 118.43 3hg5 n PHE 273 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hg5 n PHE 273 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 3hg5 n PHE 273 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg5 n GLY 274 N 1.72 -1.18 3.62 1.37 0.00 -1.26 -4.90 105.19 104.56 3hg5 n GLY 274 Ca 0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 3hg5 n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg5 s LEU 275 N -4.38 3.57 0.85 0.99 1.43 -1.26 -4.35 118.68 115.53 3hg5 s LEU 275 Ca -0.01 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 3hg5 s LEU 275 Cb 0.13 -1.85 0.11 0.00 0.03 0.00 0.00 46.19 44.61 3hg5 s LEU 275 CO 0.84 0.27 1.11 -0.94 0.23 0.00 0.00 176.35 177.85 3hg5 s SER 276 N -0.20 3.69 0.27 2.29 1.04 -1.26 -4.75 113.70 114.77 3hg5 s SER 276 Ca 0.05 1.89 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 3hg5 s SER 276 Cb -0.12 -2.48 0.59 0.00 0.10 0.00 0.00 66.02 64.10 3hg5 s SER 276 CO 0.02 -2.57 1.68 -0.25 0.98 0.00 0.00 173.24 173.10 3hg5 h TRP 277 N -1.50 0.40 -0.45 5.02 2.91 -1.99 0.11 115.95 120.46 3hg5 h TRP 277 Ca -0.45 0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.55 3hg5 h TRP 277 Cb 1.25 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.83 3hg5 h TRP 277 CO 0.52 -0.09 -0.01 -0.91 -1.03 0.00 0.00 178.44 176.92 3hg5 h ASN 278 N 0.30 0.71 0.15 2.65 2.35 -1.92 -0.51 115.58 119.32 3hg5 h ASN 278 Ca 0.48 -0.17 -0.15 0.00 -0.55 0.00 0.00 56.30 55.92 3hg5 h ASN 278 Cb 0.88 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3hg5 h ASN 278 CO -0.54 0.78 -0.55 1.56 -1.65 0.00 0.00 177.43 177.03 3hg5 h GLN 279 N 0.69 0.43 -0.44 0.81 4.20 -1.24 -1.47 115.11 118.09 3hg5 h GLN 279 Ca 0.14 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3hg5 h GLN 279 Cb 0.44 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3hg5 h GLN 279 CO 0.02 0.87 0.19 1.96 -0.67 0.00 0.00 178.83 181.20 3hg5 h GLN 280 N 0.33 0.65 -0.52 1.46 4.20 -0.76 -2.00 115.11 118.47 3hg5 h GLN 280 Ca 0.01 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.66 3hg5 h GLN 280 Cb 1.07 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.69 3hg5 h GLN 280 CO 0.10 0.58 0.24 0.28 -0.67 0.00 0.00 178.83 179.36 3hg5 h VAL 281 N 0.57 0.92 -0.54 -0.54 2.07 -0.91 -1.99 116.25 115.84 3hg5 h VAL 281 Ca 0.15 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3hg5 h VAL 281 Cb 0.16 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3hg5 h VAL 281 CO -0.01 0.09 0.30 0.74 0.02 0.00 0.00 177.57 178.70 3hg5 h THR 282 N 0.47 1.00 -0.29 2.57 2.02 -1.08 -0.50 112.91 117.11 3hg5 h THR 282 Ca 0.24 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3hg5 h THR 282 Cb 0.18 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3hg5 h THR 282 CO -0.19 0.11 0.09 -0.61 0.37 0.00 0.00 175.52 175.29 3hg5 h GLN 283 N 0.58 0.45 0.12 6.66 4.15 -1.04 -1.15 115.11 124.88 3hg5 h GLN 283 Ca 0.23 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3hg5 h GLN 283 Cb 0.09 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3hg5 h GLN 283 CO -0.13 0.50 -0.06 1.98 -1.93 0.00 0.00 178.83 179.19 3hg5 h MET 284 N 0.31 -0.15 -0.26 1.69 4.05 -1.16 -0.68 114.93 118.72 3hg5 h MET 284 Ca 0.09 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 3hg5 h MET 284 Cb 0.23 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 3hg5 h MET 284 CO -0.00 -0.06 -0.02 0.00 0.23 0.00 0.00 176.91 177.06 3hg5 h ALA 285 N 0.67 0.22 -0.02 0.39 0.00 -1.07 -2.52 119.26 116.93 3hg5 h ALA 285 Ca -0.02 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3hg5 h ALA 285 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hg5 h ALA 285 CO 0.03 -0.43 -0.80 -0.07 0.00 0.00 0.00 179.25 177.98 3hg5 h LEU 286 N 0.06 0.25 -1.63 0.00 -0.00 -1.11 -2.06 115.31 110.81 3hg5 h LEU 286 Ca 0.13 -0.19 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 3hg5 h LEU 286 Cb 0.17 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 3hg5 h LEU 286 CO -0.23 0.95 -0.19 -0.50 -0.00 0.00 0.00 178.44 178.47 3hg5 h TRP 287 N 0.12 0.00 -0.12 1.13 -0.00 -1.06 0.05 115.95 116.08 3hg5 h TRP 287 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.80 3hg5 h TRP 287 Cb 1.39 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.55 3hg5 h TRP 287 CO 0.03 0.19 -0.15 0.00 -0.00 0.00 0.00 178.44 178.51 3hg5 h ALA 288 N 1.81 0.17 -0.70 1.49 0.00 -1.03 -2.18 119.26 118.82 3hg5 h ALA 288 Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.61 3hg5 h ALA 288 Cb 0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3hg5 h ALA 288 CO 0.03 0.07 0.43 0.82 0.00 0.00 0.00 179.25 180.60 3hg5 h ILE 289 N -0.11 1.08 -0.03 0.00 1.08 -1.04 -2.96 117.51 115.53 3hg5 h ILE 289 Ca 0.01 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3hg5 h ILE 289 Cb 0.70 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3hg5 h ILE 289 CO 0.04 0.15 0.00 0.23 -0.69 0.00 0.00 178.15 177.88 3hg5 n MET 290 N -4.68 1.12 -3.79 2.37 2.81 -0.02 -0.77 117.12 114.16 3hg5 n MET 290 Ca 0.08 -0.19 -0.25 0.00 -1.81 0.00 0.00 57.70 55.54 3hg5 n MET 290 Cb 0.10 -1.32 0.01 0.00 -0.71 0.00 0.00 33.22 31.31 3hg5 n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg5 n ALA 291 N -0.61 -2.13 -2.49 3.04 0.00 -1.12 -4.66 120.51 112.54 3hg5 n ALA 291 Ca 0.15 -0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 3hg5 n ALA 291 Cb 0.11 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.22 3hg5 n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg5 s ALA 292 N -3.74 3.69 0.27 0.00 0.00 -0.82 -4.63 121.76 116.53 3hg5 s ALA 292 Ca 0.11 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 3hg5 s ALA 292 Cb -0.04 -2.39 -0.13 0.00 0.00 0.00 0.00 23.12 20.56 3hg5 s ALA 292 CO 0.85 0.49 1.35 -2.30 0.00 0.00 0.00 175.76 176.15 3hg5 n PRO 293 N 1.53 2.02 -3.49 0.00 -0.02 -1.26 -4.77 135.00 129.00 3hg5 n PRO 293 Ca -0.12 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3hg5 n PRO 293 Cb 0.52 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 3hg5 n PRO 293 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hg5 s LEU 294 N -0.20 6.09 -0.42 2.45 1.43 0.87 -4.87 118.68 124.03 3hg5 s LEU 294 Ca 0.64 -2.95 -0.09 0.00 -1.03 0.00 0.00 54.13 50.70 3hg5 s LEU 294 Cb -0.63 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 43.61 3hg5 s LEU 294 CO 0.54 -0.43 0.27 -0.36 0.23 0.00 0.00 176.35 176.59 3hg5 s PHE 295 N -0.22 3.36 0.30 0.29 0.40 -1.26 -0.87 117.98 119.98 3hg5 s PHE 295 Ca 0.20 -1.60 -0.29 0.00 -0.60 0.00 0.00 56.93 54.64 3hg5 s PHE 295 Cb -0.13 -3.03 -0.10 0.00 0.51 0.00 0.00 43.02 40.27 3hg5 s PHE 295 CO -0.07 -0.87 1.34 -1.64 0.70 0.00 0.00 175.22 174.68 3hg5 s MET 296 N 1.41 4.33 -0.32 0.44 -1.94 -0.61 -0.48 119.30 122.13 3hg5 s MET 296 Ca 0.03 2.23 0.02 0.00 -1.71 0.00 0.00 55.69 56.26 3hg5 s MET 296 Cb -0.23 -3.09 0.10 0.00 2.01 0.00 0.00 34.83 33.61 3hg5 s MET 296 CO 0.01 -0.25 0.06 0.45 -0.01 0.00 0.00 175.02 175.28 3hg5 s SER 297 N -0.22 4.42 0.19 3.03 0.15 0.05 -0.32 113.70 121.00 3hg5 s SER 297 Ca 0.52 -1.87 -0.08 0.00 0.70 0.00 0.00 55.95 55.22 3hg5 s SER 297 Cb -0.40 -1.31 0.03 0.00 -1.71 0.00 0.00 66.02 62.63 3hg5 s SER 297 CO 0.50 -0.38 0.40 -0.46 1.20 0.00 0.00 173.24 174.50 3hg5 n ASN 298 N 4.51 -1.13 -4.24 5.45 0.23 -1.26 -4.44 115.26 114.37 3hg5 n ASN 298 Ca 0.00 -1.77 -0.38 0.00 -0.53 0.00 0.00 54.58 51.90 3hg5 n ASN 298 Cb 0.42 1.89 -0.11 0.00 -2.08 0.00 0.00 39.78 39.89 3hg5 n ASN 298 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hg5 s ASP 299 N -2.05 5.41 0.44 0.53 -1.08 -1.26 -4.93 116.67 113.72 3hg5 s ASP 299 Ca 0.08 -1.43 0.30 0.00 -0.52 0.00 0.00 52.55 50.99 3hg5 s ASP 299 Cb -0.02 -1.90 1.44 0.00 -1.46 0.00 0.00 42.92 40.97 3hg5 s ASP 299 CO 0.06 -0.44 1.92 -0.07 0.52 0.00 0.00 175.17 177.16 3hg5 h LEU 300 N 8.25 0.00 -0.33 -1.34 3.38 -1.97 -1.97 115.31 121.33 3hg5 h LEU 300 Ca -0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 3hg5 h LEU 300 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3hg5 h LEU 300 CO 0.67 0.00 -0.51 0.03 0.09 0.00 0.00 178.44 178.72 3hg5 h ARG 301 N 0.00 0.00 -2.57 1.13 3.08 -1.95 -3.40 114.38 110.67 3hg5 h ARG 301 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3hg5 h ARG 301 Cb 0.26 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.92 3hg5 h ARG 301 CO 0.00 0.51 -0.87 -1.01 -1.07 0.00 0.00 179.97 177.53 3hg5 s HIS 302 N -3.16 1.57 -0.05 3.04 3.76 -0.74 -5.09 115.29 114.62 3hg5 s HIS 302 Ca 0.02 -2.44 -0.03 0.00 -0.15 0.00 0.00 55.06 52.46 3hg5 s HIS 302 Cb 0.09 -1.32 0.03 0.00 1.11 0.00 0.00 32.58 32.48 3hg5 s HIS 302 CO 0.73 -0.77 0.13 -1.50 -0.85 0.00 0.00 174.74 172.48 3hg5 s ILE 303 N -0.08 -0.03 0.64 0.60 2.07 -1.23 -4.62 121.20 118.55 3hg5 s ILE 303 Ca 0.28 0.11 -0.17 0.00 -1.41 0.00 0.00 60.65 59.46 3hg5 s ILE 303 Cb -0.03 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 3hg5 s ILE 303 CO -0.15 0.04 1.19 -0.94 -1.91 0.00 0.00 174.94 173.17 3hg5 s SER 304 N 0.69 4.94 0.43 4.50 1.04 -1.26 -4.85 113.70 119.20 3hg5 s SER 304 Ca -0.05 2.30 0.09 0.00 0.48 0.00 0.00 55.95 58.77 3hg5 s SER 304 Cb -0.07 -2.59 0.95 0.00 0.10 0.00 0.00 66.02 64.41 3hg5 s SER 304 CO -0.03 -1.76 2.07 -0.65 0.98 0.00 0.00 173.24 173.85 3hg5 h PRO 305 N 0.44 0.42 0.05 4.02 0.11 -2.01 -1.37 132.00 133.68 3hg5 h PRO 305 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hg5 h PRO 305 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hg5 h PRO 305 CO 0.54 0.28 -0.03 0.37 -0.21 0.00 0.00 178.00 178.95 3hg5 h GLN 306 N 0.44 -0.07 -0.75 1.05 4.15 -1.99 -1.33 115.11 116.60 3hg5 h GLN 306 Ca 0.13 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.56 3hg5 h GLN 306 Cb -0.01 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3hg5 h GLN 306 CO -0.03 0.24 0.50 0.00 -1.93 0.00 0.00 178.83 177.61 3hg5 h ALA 307 N 0.54 0.96 -0.15 3.38 0.00 -1.89 -2.35 119.26 119.74 3hg5 h ALA 307 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hg5 h ALA 307 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hg5 h ALA 307 CO 0.01 0.36 0.01 -0.22 0.00 0.00 0.00 179.25 179.42 3hg5 h LYS 308 N 1.01 0.07 -0.96 0.00 3.64 -1.22 -1.06 116.57 118.04 3hg5 h LYS 308 Ca 0.28 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 3hg5 h LYS 308 Cb -0.10 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 3hg5 h LYS 308 CO -0.07 0.05 0.62 0.00 -2.27 0.00 0.00 179.45 177.78 3hg5 h ALA 309 N 1.12 1.30 0.05 5.00 0.00 -1.05 -0.36 119.26 125.31 3hg5 h ALA 309 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hg5 h ALA 309 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hg5 h ALA 309 CO -0.10 0.47 -0.02 1.25 0.00 0.00 0.00 179.25 180.84 3hg5 h LEU 310 N 1.18 -0.06 -2.22 0.00 5.85 -1.20 -1.66 115.31 117.20 3hg5 h LEU 310 Ca 0.40 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hg5 h LEU 310 Cb 0.07 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hg5 h LEU 310 CO -0.14 0.31 0.02 -0.07 -0.34 0.00 0.00 178.44 178.22 3hg5 h LEU 311 N -0.43 0.00 -2.59 2.25 3.38 -0.98 -2.40 115.31 114.53 3hg5 h LEU 311 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hg5 h LEU 311 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hg5 h LEU 311 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3hg5 n GLN 312 N -4.20 2.63 -1.67 1.13 6.02 -0.16 -4.96 117.38 116.16 3hg5 n GLN 312 Ca -0.02 -2.47 -0.43 0.00 -0.01 0.00 0.00 57.00 54.06 3hg5 n GLN 312 Cb 0.11 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 3hg5 n GLN 312 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hg5 s ASP 313 N -1.18 5.55 0.34 1.08 -1.08 -0.64 -4.87 116.67 115.88 3hg5 s ASP 313 Ca 0.43 1.81 0.09 0.00 -0.52 0.00 0.00 52.55 54.37 3hg5 s ASP 313 Cb 0.24 -2.51 0.60 0.00 -1.46 0.00 0.00 42.92 39.78 3hg5 s ASP 313 CO 0.31 -1.90 1.78 0.07 0.52 0.00 0.00 175.17 175.96 3hg5 h LYS 314 N 14.60 0.16 -0.19 4.34 2.10 -1.91 -0.27 116.57 135.40 3hg5 h LYS 314 Ca -0.40 -0.06 -0.13 0.00 -2.00 0.00 0.00 60.65 58.06 3hg5 h LYS 314 Cb 1.23 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3hg5 h LYS 314 CO 0.97 0.49 -0.39 -0.44 -2.00 0.00 0.00 179.45 178.08 3hg5 h ASP 315 N 0.14 0.67 -0.29 7.07 3.32 -1.99 -0.20 116.42 125.15 3hg5 h ASP 315 Ca 0.02 -0.55 -0.06 0.00 0.02 0.00 0.00 57.03 56.45 3hg5 h ASP 315 Cb 0.68 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hg5 h ASP 315 CO 0.05 1.10 -0.06 0.58 -1.72 0.00 0.00 179.24 179.19 3hg5 h VAL 316 N 0.27 1.28 -0.50 -1.35 2.07 -1.92 -2.15 116.25 113.94 3hg5 h VAL 316 Ca 0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hg5 h VAL 316 Cb 0.99 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3hg5 h VAL 316 CO 0.09 0.34 0.30 0.40 0.02 0.00 0.00 177.57 178.72 3hg5 h ILE 317 N 0.31 1.15 -0.49 4.57 2.04 -1.08 -2.18 117.51 121.82 3hg5 h ILE 317 Ca 0.07 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 3hg5 h ILE 317 Cb 0.53 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3hg5 h ILE 317 CO 0.03 0.16 -0.08 0.00 0.00 0.00 0.00 178.15 178.25 3hg5 h ALA 318 N 1.64 0.94 0.57 1.87 0.00 -0.80 0.80 119.26 124.27 3hg5 h ALA 318 Ca 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hg5 h ALA 318 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hg5 h ALA 318 CO -0.03 0.63 -0.30 0.82 0.00 0.00 0.00 179.25 180.36 3hg5 h ILE 319 N 0.80 0.39 -0.87 0.00 2.04 -0.86 -1.51 117.51 117.50 3hg5 h ILE 319 Ca 0.14 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.15 3hg5 h ILE 319 Cb 0.59 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 3hg5 h ILE 319 CO 0.04 0.00 0.46 -1.13 0.00 0.00 0.00 178.15 177.51 3hg5 h ASN 320 N -0.80 0.55 -0.30 1.72 -0.73 -1.24 -1.52 115.58 113.26 3hg5 h ASN 320 Ca -0.07 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3hg5 h ASN 320 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.22 3hg5 h ASN 320 CO 0.11 0.23 0.00 0.00 -0.37 0.00 0.00 177.43 177.39 3hg5 n GLN 321 N -4.86 2.42 -1.69 6.67 1.13 0.26 -4.60 117.38 116.71 3hg5 n GLN 321 Ca 0.18 -1.38 -0.45 0.00 -1.94 0.00 0.00 57.00 53.41 3hg5 n GLN 321 Cb 0.45 -1.63 -0.04 0.00 0.11 0.00 0.00 30.24 29.14 3hg5 n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hg5 n ASP 322 N 0.38 3.45 0.29 1.08 2.03 -0.57 -4.88 116.55 118.33 3hg5 n ASP 322 Ca 0.12 1.06 0.15 0.00 0.52 0.00 0.00 54.79 56.65 3hg5 n ASP 322 Cb 0.53 -1.48 0.87 0.00 -0.72 0.00 0.00 41.12 40.32 3hg5 n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg5 h PRO 323 N 6.51 0.00 -0.56 -0.67 0.13 -1.91 -1.97 132.00 133.53 3hg5 h PRO 323 Ca -0.45 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 3hg5 h PRO 323 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 3hg5 h PRO 323 CO 0.92 0.05 0.37 1.25 -0.23 0.00 0.00 178.00 180.36 3hg5 h LEU 324 N 0.00 0.47 0.20 1.56 6.46 -1.93 -3.47 115.31 118.59 3hg5 h LEU 324 Ca -0.00 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.41 3hg5 h LEU 324 Cb 0.14 -0.10 0.08 0.00 -0.73 0.00 0.00 40.66 40.05 3hg5 h LEU 324 CO 0.01 0.31 -0.55 0.61 -0.62 0.00 0.00 178.44 178.20 3hg5 n GLY 325 N -1.49 -0.36 3.47 3.75 0.00 -0.74 -4.75 105.19 105.07 3hg5 n GLY 325 Ca 0.08 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3hg5 n GLY 325 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hg5 s LYS 326 N -5.76 3.69 0.35 1.61 2.20 -1.26 -3.71 119.74 116.85 3hg5 s LYS 326 Ca 0.35 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 55.23 3hg5 s LYS 326 Cb -0.16 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 3hg5 s LYS 326 CO 0.44 -0.14 1.14 -1.14 -0.36 0.00 0.00 175.35 175.28 3hg5 s GLN 327 N 1.48 4.33 0.50 4.03 0.74 -1.26 -4.62 119.66 124.85 3hg5 s GLN 327 Ca 0.06 1.81 -0.08 0.00 0.05 0.00 0.00 55.36 57.20 3hg5 s GLN 327 Cb -0.15 -2.89 0.11 0.00 1.10 0.00 0.00 33.01 31.18 3hg5 s GLN 327 CO 0.04 -0.07 0.67 0.41 -0.55 0.00 0.00 175.29 175.79 3hg5 n GLY 328 N 0.81 -1.15 3.67 2.59 0.00 0.05 -4.81 105.19 106.35 3hg5 n GLY 328 Ca 0.02 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 3hg5 n GLY 328 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hg5 s TYR 329 N -2.42 -0.32 -0.20 1.61 -0.85 -0.59 -4.81 117.35 109.77 3hg5 s TYR 329 Ca 0.39 -0.03 -0.27 0.00 -0.52 0.00 0.00 57.07 56.63 3hg5 s TYR 329 Cb -0.01 0.64 -0.00 0.00 0.38 0.00 0.00 41.96 42.96 3hg5 s TYR 329 CO 0.27 -1.07 0.94 -1.14 -1.52 0.00 0.00 175.55 173.03 3hg5 s GLN 330 N -3.85 4.27 -0.13 -3.49 0.74 -1.26 -1.62 119.66 114.32 3hg5 s GLN 330 Ca 0.07 1.19 -0.19 0.00 0.05 0.00 0.00 55.36 56.48 3hg5 s GLN 330 Cb -0.04 -3.61 -0.25 0.00 1.10 0.00 0.00 33.01 30.21 3hg5 s GLN 330 CO -0.01 -0.49 0.51 1.25 -0.55 0.00 0.00 175.29 176.00 3hg5 h LEU 331 N 8.93 0.25 -8.06 3.68 5.85 0.18 -3.48 115.31 122.65 3hg5 h LEU 331 Ca -0.24 -0.80 -0.14 0.00 0.84 0.00 0.00 57.88 57.54 3hg5 h LEU 331 Cb 1.10 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.87 3hg5 h LEU 331 CO 0.90 1.52 -0.64 -0.13 -0.34 0.00 0.00 178.44 179.75 3hg5 s ARG 332 N -2.42 0.52 -0.11 1.25 0.52 -0.76 -4.99 118.95 112.95 3hg5 s ARG 332 Ca -0.22 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 53.96 3hg5 s ARG 332 Cb 0.04 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.73 3hg5 s ARG 332 CO 0.72 -0.10 0.36 -1.14 0.02 0.00 0.00 175.30 175.15 3hg5 s GLN 333 N -2.82 0.47 0.00 3.54 0.74 -1.26 -1.43 119.66 118.90 3hg5 s GLN 333 Ca -0.03 0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.75 3hg5 s GLN 333 Cb 0.00 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.34 3hg5 s GLN 333 CO -0.06 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 3hg5 n GLY 334 N 2.57 4.07 3.95 2.59 0.00 -0.89 -4.99 105.19 112.49 3hg5 n GLY 334 Ca -0.15 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 3hg5 n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hg5 n ASP 335 N 0.00 -4.02 -2.80 1.61 2.03 -1.26 -1.07 116.55 111.04 3hg5 n ASP 335 Ca 0.00 -0.83 -0.19 0.00 0.52 0.00 0.00 54.79 54.29 3hg5 n ASP 335 Cb 0.00 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 3hg5 n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hg5 n ASN 336 N -2.83 -4.75 -4.42 1.67 3.02 -1.26 -4.90 115.26 101.79 3hg5 n ASN 336 Ca 0.00 -0.10 -0.28 0.00 -0.03 0.00 0.00 54.58 54.17 3hg5 n ASN 336 Cb 0.54 -3.94 -0.12 0.00 -0.61 0.00 0.00 39.78 35.65 3hg5 n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hg5 s PHE 337 N -2.90 2.34 -0.01 3.10 0.40 -0.23 0.22 117.98 120.89 3hg5 s PHE 337 Ca 0.17 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 3hg5 s PHE 337 Cb -0.08 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.22 3hg5 s PHE 337 CO 0.21 0.40 -0.10 -1.21 0.70 0.00 0.00 175.22 175.23 3hg5 s GLU 338 N -2.30 0.90 -0.23 0.44 2.02 -0.47 -2.09 118.70 116.98 3hg5 s GLU 338 Ca 0.17 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.82 3hg5 s GLU 338 Cb -0.09 -0.86 0.03 0.00 0.10 0.00 0.00 34.13 33.32 3hg5 s GLU 338 CO 0.08 0.18 -0.13 0.08 0.02 0.00 0.00 175.26 175.50 3hg5 s VAL 339 N -0.08 2.36 0.15 2.63 1.01 -0.52 -0.55 120.40 125.40 3hg5 s VAL 339 Ca 0.01 -1.19 0.06 0.00 0.00 0.00 0.00 61.98 60.86 3hg5 s VAL 339 Cb -0.06 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3hg5 s VAL 339 CO -0.00 0.25 0.05 0.26 0.00 0.00 0.00 175.10 175.65 3hg5 s TRP 340 N 1.24 2.98 0.06 5.22 0.52 0.41 0.90 118.94 130.27 3hg5 s TRP 340 Ca -0.01 -0.07 -0.05 0.00 0.02 0.00 0.00 56.10 56.00 3hg5 s TRP 340 Cb -0.16 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3hg5 s TRP 340 CO -0.08 0.51 0.07 -1.83 0.02 0.00 0.00 176.95 175.65 3hg5 s GLU 341 N -2.84 0.68 -0.03 4.98 -1.05 -0.64 -0.35 118.70 119.46 3hg5 s GLU 341 Ca 0.28 -1.02 -0.01 0.00 -0.15 0.00 0.00 54.97 54.08 3hg5 s GLU 341 Cb -0.10 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.88 3hg5 s GLU 341 CO 0.20 -0.17 0.04 0.50 0.95 0.00 0.00 175.26 176.78 3hg5 s ARG 342 N -3.56 -0.05 0.10 -4.83 3.52 0.95 -1.54 118.95 113.55 3hg5 s ARG 342 Ca 0.03 0.26 -0.31 0.00 -0.13 0.00 0.00 55.73 55.59 3hg5 s ARG 342 Cb 0.05 -0.34 -0.07 0.00 -1.56 0.00 0.00 34.95 33.03 3hg5 s ARG 342 CO -0.09 -0.23 1.23 -1.25 -0.81 0.00 0.00 175.30 174.16 3hg5 s PRO 343 N 1.47 4.43 0.40 5.12 0.04 -1.26 -1.39 135.00 143.80 3hg5 s PRO 343 Ca -0.04 1.85 0.08 0.00 0.04 0.00 0.00 61.00 62.93 3hg5 s PRO 343 Cb -0.13 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 3hg5 s PRO 343 CO -0.03 -0.24 0.16 -0.51 0.04 0.00 0.00 177.00 176.42 3hg5 s LEU 344 N 0.71 3.13 0.63 -3.56 1.43 0.46 -4.59 118.68 116.88 3hg5 s LEU 344 Ca 0.58 -1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 3hg5 s LEU 344 Cb -0.32 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 3hg5 s LEU 344 CO 0.31 -0.48 1.18 -0.94 0.23 0.00 0.00 176.35 176.65 3hg5 s SER 345 N -3.88 5.06 -0.65 2.29 1.04 -1.26 -3.62 113.70 112.67 3hg5 s SER 345 Ca 0.40 2.28 -0.01 0.00 0.48 0.00 0.00 55.95 59.10 3hg5 s SER 345 Cb 0.03 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3hg5 s SER 345 CO 0.22 -1.68 0.10 0.61 0.98 0.00 0.00 173.24 173.48 3hg5 n GLY 346 N 0.24 0.12 2.46 7.32 0.00 -1.26 -3.53 105.19 110.53 3hg5 n GLY 346 Ca 0.13 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 3hg5 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hg5 n LEU 347 N -1.40 -1.53 -4.93 0.99 4.77 -1.25 -4.73 117.00 108.92 3hg5 n LEU 347 Ca -0.07 0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 55.90 3hg5 n LEU 347 Cb 0.56 -2.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.03 3hg5 n LEU 347 CO 0.14 -0.65 0.06 0.00 -1.33 0.00 0.00 177.39 175.61 3hg5 s ALA 348 N -2.77 3.80 0.03 -1.18 0.00 -1.23 -3.87 121.76 116.53 3hg5 s ALA 348 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3hg5 s ALA 348 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 3hg5 s ALA 348 CO 0.00 0.36 -0.09 -1.58 0.00 0.00 0.00 175.76 174.45 3hg5 s TRP 349 N -1.94 0.79 -0.13 0.00 0.51 -0.43 -0.41 118.94 117.33 3hg5 s TRP 349 Ca 0.39 -0.33 -0.05 0.00 -2.12 0.00 0.00 56.10 53.99 3hg5 s TRP 349 Cb -0.11 -0.48 -0.04 0.00 -0.81 0.00 0.00 33.47 32.04 3hg5 s TRP 349 CO 0.30 -0.02 0.06 0.00 -0.51 0.00 0.00 176.95 176.78 3hg5 s ALA 350 N -0.82 3.51 -0.08 0.98 0.00 -0.49 0.38 121.76 125.24 3hg5 s ALA 350 Ca -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3hg5 s ALA 350 Cb -0.07 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.30 3hg5 s ALA 350 CO 0.00 0.47 -0.11 0.08 0.00 0.00 0.00 175.76 176.21 3hg5 s VAL 351 N -0.55 1.11 -0.15 0.00 1.01 0.29 -0.03 120.40 122.09 3hg5 s VAL 351 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3hg5 s VAL 351 Cb -0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3hg5 s VAL 351 CO 0.02 0.36 -0.14 0.00 0.00 0.00 0.00 175.10 175.34 3hg5 s ALA 352 N 0.91 2.53 -0.23 5.51 0.00 0.53 -0.28 121.76 130.73 3hg5 s ALA 352 Ca -0.10 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 3hg5 s ALA 352 Cb -0.15 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.74 3hg5 s ALA 352 CO 0.01 0.03 -0.07 -1.64 0.00 0.00 0.00 175.76 174.09 3hg5 s MET 353 N 0.71 3.12 -0.12 0.00 -1.94 0.21 -0.45 119.30 120.84 3hg5 s MET 353 Ca -0.07 -0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 53.08 3hg5 s MET 353 Cb -0.15 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 3hg5 s MET 353 CO 0.02 -0.28 0.07 0.42 -0.01 0.00 0.00 175.02 175.24 3hg5 s ILE 354 N 1.40 4.87 -0.37 2.53 1.01 0.29 -0.65 121.20 130.28 3hg5 s ILE 354 Ca 0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 3hg5 s ILE 354 Cb -0.15 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.23 3hg5 s ILE 354 CO -0.05 0.57 0.19 0.21 0.00 0.00 0.00 174.94 175.86 3hg5 s ASN 355 N -0.62 5.67 0.00 3.58 2.47 -0.81 -1.36 114.94 123.87 3hg5 s ASN 355 Ca 0.11 -0.97 0.25 0.00 0.42 0.00 0.00 52.86 52.68 3hg5 s ASN 355 Cb -0.12 -2.01 0.49 0.00 -1.45 0.00 0.00 41.25 38.17 3hg5 s ASN 355 CO 0.02 -0.36 1.43 0.54 -3.72 0.00 0.00 177.10 175.01 3hg5 n ARG 356 N 4.98 2.10 -2.64 0.43 5.12 0.13 -0.39 116.66 126.39 3hg5 n ARG 356 Ca -0.12 -1.60 -0.43 0.00 -1.93 0.00 0.00 57.85 53.77 3hg5 n ARG 356 Cb 0.46 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 3hg5 n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3hg5 s GLN 357 N -1.99 4.21 -0.62 5.56 0.74 -1.22 -4.85 119.66 121.48 3hg5 s GLN 357 Ca 0.32 1.30 -0.01 0.00 0.05 0.00 0.00 55.36 57.02 3hg5 s GLN 357 Cb 0.20 -3.67 0.45 0.00 1.10 0.00 0.00 33.01 31.09 3hg5 s GLN 357 CO 0.31 -0.71 1.94 0.39 -0.55 0.00 0.00 175.29 176.67 3hg5 n GLU 358 N 6.49 2.79 -3.68 1.67 1.02 -1.26 -4.19 120.64 123.48 3hg5 n GLU 358 Ca 0.12 -3.39 -0.11 0.00 -0.02 0.00 0.00 57.16 53.76 3hg5 n GLU 358 Cb 0.46 -2.29 -0.06 0.00 -0.02 0.00 0.00 31.44 29.54 3hg5 n GLU 358 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3hg5 s ILE 359 N -4.77 0.08 0.00 -3.67 2.07 -1.26 -5.07 121.20 108.57 3hg5 s ILE 359 Ca 0.63 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 3hg5 s ILE 359 Cb 0.50 -1.13 0.00 0.00 0.13 0.00 0.00 42.46 41.96 3hg5 s ILE 359 CO -0.00 -0.36 0.00 0.61 -1.91 0.00 0.00 174.94 173.28 3hg5 n GLY 360 N 0.01 0.35 0.00 1.50 0.00 -1.26 -4.92 105.19 100.87 3hg5 n GLY 360 Ca -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3hg5 n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg5 n GLY 361 N 0.00 5.24 3.65 -0.02 0.00 -1.26 -4.89 105.19 107.90 3hg5 n GLY 361 Ca 0.00 -2.03 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 3hg5 n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg5 n PRO 362 N 0.00 1.81 -4.57 1.61 -0.02 -1.26 -4.45 135.00 128.11 3hg5 n PRO 362 Ca 0.00 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 3hg5 n PRO 362 Cb 0.00 -2.21 -0.12 0.00 -0.02 0.00 0.00 33.50 31.15 3hg5 n PRO 362 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hg5 s ARG 363 N -0.85 3.16 0.34 -0.52 0.52 -0.31 -4.83 118.95 116.46 3hg5 s ARG 363 Ca 0.65 -0.56 -0.26 0.00 -0.52 0.00 0.00 55.73 55.04 3hg5 s ARG 363 Cb -0.67 -2.71 -0.09 0.00 0.52 0.00 0.00 34.95 31.99 3hg5 s ARG 363 CO 0.54 0.45 1.06 -1.54 0.02 0.00 0.00 175.30 175.83 3hg5 s SER 364 N -0.24 7.01 -0.05 0.23 1.04 -1.26 -0.98 113.70 119.46 3hg5 s SER 364 Ca 0.03 2.11 -0.02 0.00 0.48 0.00 0.00 55.95 58.56 3hg5 s SER 364 Cb -0.13 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.43 3hg5 s SER 364 CO 0.03 -0.31 0.10 -0.47 0.98 0.00 0.00 173.24 173.56 3hg5 s TYR 365 N -1.45 -0.08 0.04 5.02 5.04 0.11 -4.95 117.35 121.08 3hg5 s TYR 365 Ca 0.52 0.35 0.08 0.00 -2.44 0.00 0.00 57.07 55.58 3hg5 s TYR 365 Cb -0.26 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 41.84 3hg5 s TYR 365 CO 0.33 -0.15 -0.24 0.95 -1.34 0.00 0.00 175.55 175.10 3hg5 s THR 366 N 1.30 1.90 -0.08 4.34 -4.23 -1.26 -0.21 115.64 117.41 3hg5 s THR 366 Ca -0.07 -1.26 -0.09 0.00 -1.18 0.00 0.00 61.69 59.08 3hg5 s THR 366 Cb -0.12 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.11 3hg5 s THR 366 CO -0.05 0.32 0.25 -0.51 -0.54 0.00 0.00 174.62 174.09 3hg5 s ILE 367 N -0.77 0.01 0.11 2.99 2.07 -0.42 -5.01 121.20 120.18 3hg5 s ILE 367 Ca 0.10 -0.11 -0.31 0.00 -1.41 0.00 0.00 60.65 58.92 3hg5 s ILE 367 Cb -0.09 -0.39 -0.07 0.00 0.13 0.00 0.00 42.46 42.03 3hg5 s ILE 367 CO 0.02 -0.06 1.34 0.00 -1.91 0.00 0.00 174.94 174.33 3hg5 s ALA 368 N -0.14 3.54 0.35 1.50 0.00 -1.26 -0.41 121.76 125.35 3hg5 s ALA 368 Ca -0.03 1.06 0.39 0.00 0.00 0.00 0.00 51.96 53.38 3hg5 s ALA 368 Cb -0.03 -3.51 1.84 0.00 0.00 0.00 0.00 23.12 21.42 3hg5 s ALA 368 CO 0.01 -0.57 2.16 -0.39 0.00 0.00 0.00 175.76 176.97 3hg5 h VAL 369 N 4.29 0.00 0.00 0.00 -1.51 -1.58 -0.23 116.25 117.23 3hg5 h VAL 369 Ca -0.42 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 3hg5 h VAL 369 Cb 1.21 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3hg5 h VAL 369 CO 0.85 0.00 -0.10 0.00 -1.23 0.00 0.00 177.57 177.08 3hg5 h ALA 370 N 2.00 1.25 0.00 5.19 0.00 -1.78 -2.29 119.26 123.63 3hg5 h ALA 370 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hg5 h ALA 370 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hg5 h ALA 370 CO 0.00 0.13 -0.03 0.77 0.00 0.00 0.00 179.25 180.13 3hg5 h SER 371 N 0.00 0.00 -3.58 0.00 0.02 -1.39 -3.07 113.55 105.53 3hg5 h SER 371 Ca -0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.43 3hg5 h SER 371 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3hg5 h SER 371 CO 0.01 0.03 -0.01 -0.76 -1.14 0.00 0.00 176.83 174.96 3hg5 s LEU 372 N -6.23 4.12 -1.53 5.07 1.02 -0.86 -4.28 118.68 115.99 3hg5 s LEU 372 Ca 0.04 1.10 -0.01 0.00 0.02 0.00 0.00 54.13 55.28 3hg5 s LEU 372 Cb 0.07 -3.88 0.01 0.00 0.02 0.00 0.00 46.19 42.40 3hg5 s LEU 372 CO 0.62 -0.14 0.13 0.61 0.02 0.00 0.00 176.35 177.59 3hg5 n GLY 373 N -0.25 -0.50 3.23 -3.19 0.00 -1.26 -1.25 105.19 101.97 3hg5 n GLY 373 Ca 0.02 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3hg5 n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hg5 n LYS 374 N -3.17 -4.54 -0.84 1.61 5.02 -1.26 -1.53 118.16 113.45 3hg5 n LYS 374 Ca -0.19 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3hg5 n LYS 374 Cb 0.65 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.12 3hg5 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hg5 n GLY 375 N -1.43 0.55 0.12 0.72 0.00 -0.38 -4.85 105.19 99.92 3hg5 n GLY 375 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3hg5 n GLY 375 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hg5 n VAL 376 N -2.11 1.62 -1.91 1.61 0.31 -0.58 -4.37 118.33 112.89 3hg5 n VAL 376 Ca 0.00 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.61 3hg5 n VAL 376 Cb 0.04 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.04 3hg5 n VAL 376 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hg5 s ALA 377 N -2.45 3.74 0.00 3.52 0.00 -1.21 -2.58 121.76 122.79 3hg5 s ALA 377 Ca -0.27 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3hg5 s ALA 377 Cb 0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3hg5 s ALA 377 CO 0.65 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 175.60 3hg5 s ASN 379 N -2.35 5.00 0.10 0.00 2.47 -1.06 -2.07 114.94 117.01 3hg5 s ASN 379 Ca 0.00 -1.03 0.27 0.00 0.42 0.00 0.00 52.86 52.51 3hg5 s ASN 379 Cb 0.00 -1.80 0.87 0.00 -1.45 0.00 0.00 41.25 38.87 3hg5 s ASN 379 CO 0.00 -0.25 1.73 -0.81 -3.72 0.00 0.00 177.10 174.06 3hg5 n PRO 380 N 4.75 0.15 -3.85 0.43 -0.04 -1.26 -4.85 135.00 130.32 3hg5 n PRO 380 Ca -0.14 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 3hg5 n PRO 380 Cb 0.45 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 3hg5 n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hg5 s ALA 381 N -3.06 -0.34 0.01 0.55 0.00 -0.88 -1.25 121.76 116.79 3hg5 s ALA 381 Ca 0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 3hg5 s ALA 381 Cb 0.15 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 3hg5 s ALA 381 CO 0.60 -0.64 -0.02 0.00 0.00 0.00 0.00 175.76 175.71 3hg5 s PHE 383 N -1.12 3.23 -0.24 0.00 5.36 0.12 -0.31 117.98 125.01 3hg5 s PHE 383 Ca -0.12 0.31 -0.11 0.00 -0.96 0.00 0.00 56.93 56.05 3hg5 s PHE 383 Cb -0.08 -2.69 -0.05 0.00 -0.34 0.00 0.00 43.02 39.86 3hg5 s PHE 383 CO -0.01 -0.35 0.17 0.42 -1.46 0.00 0.00 175.22 174.00 3hg5 s ILE 384 N 2.17 5.35 -0.16 3.12 1.01 -0.38 -1.38 121.20 130.93 3hg5 s ILE 384 Ca 0.16 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.01 3hg5 s ILE 384 Cb -0.16 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3hg5 s ILE 384 CO 0.11 0.33 -0.17 -0.89 0.00 0.00 0.00 174.94 174.32 3hg5 s THR 385 N 1.15 2.49 0.15 2.92 2.01 -0.41 -0.49 115.64 123.45 3hg5 s THR 385 Ca 0.08 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 3hg5 s THR 385 Cb -0.14 -2.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.25 3hg5 s THR 385 CO 0.05 0.52 1.12 -1.58 -0.69 0.00 0.00 174.62 174.05 3hg5 s GLN 386 N 0.95 4.55 -0.13 4.92 0.74 0.20 -0.61 119.66 130.29 3hg5 s GLN 386 Ca -0.03 1.73 0.04 0.00 0.05 0.00 0.00 55.36 57.15 3hg5 s GLN 386 Cb -0.15 -3.29 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 3hg5 s GLN 386 CO -0.03 -0.01 -0.06 1.28 -0.55 0.00 0.00 175.29 175.92 3hg5 n LEU 387 N 2.73 1.89 -4.04 3.68 4.77 0.15 -1.00 117.00 125.19 3hg5 n LEU 387 Ca 0.04 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3hg5 n LEU 387 Cb 0.46 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3hg5 n LEU 387 CO 0.54 0.56 -0.41 -0.76 -1.33 0.00 0.00 177.39 176.00 3hg5 s LEU 388 N -5.44 2.16 0.43 2.23 1.43 -1.02 -3.44 118.68 115.03 3hg5 s LEU 388 Ca -0.14 -0.38 0.23 0.00 -1.03 0.00 0.00 54.13 52.81 3hg5 s LEU 388 Cb 0.04 -0.25 0.88 0.00 0.03 0.00 0.00 46.19 46.89 3hg5 s LEU 388 CO 0.36 -0.08 1.81 1.55 0.23 0.00 0.00 176.35 180.22 3hg5 h PRO 389 N 5.07 0.00 -5.53 1.29 0.13 -1.89 -1.54 132.00 129.52 3hg5 h PRO 389 Ca -0.33 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.36 3hg5 h PRO 389 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 3hg5 h PRO 389 CO 0.44 0.26 -0.77 0.14 -0.23 0.00 0.00 178.00 177.85 3hg5 s VAL 390 N -3.67 1.41 -0.24 1.56 -7.23 -1.26 -5.12 120.40 105.85 3hg5 s VAL 390 Ca 0.00 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 3hg5 s VAL 390 Cb 0.11 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.51 3hg5 s VAL 390 CO 0.65 -0.36 0.97 -0.75 -0.31 0.00 0.00 175.10 175.29 3hg5 s LYS 391 N -2.57 4.22 -0.14 4.82 2.20 -1.22 -3.94 119.74 123.11 3hg5 s LYS 391 Ca 0.09 1.19 -0.07 0.00 -0.36 0.00 0.00 55.97 56.81 3hg5 s LYS 391 Cb -0.06 -3.65 0.05 0.00 -1.51 0.00 0.00 37.83 32.67 3hg5 s LYS 391 CO 0.03 -0.61 0.33 0.50 -0.36 0.00 0.00 175.35 175.25 3hg5 s ARG 392 N 3.10 0.30 -0.03 4.03 3.52 -0.17 -4.99 118.95 124.71 3hg5 s ARG 392 Ca 0.41 0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 56.37 3hg5 s ARG 392 Cb -0.15 -0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.13 3hg5 s ARG 392 CO 0.07 -0.16 1.25 0.15 -0.81 0.00 0.00 175.30 175.80 3hg5 s LYS 393 N 1.32 4.34 0.08 5.12 1.02 -1.26 0.62 119.74 130.98 3hg5 s LYS 393 Ca -0.09 1.75 0.22 0.00 0.02 0.00 0.00 55.97 57.87 3hg5 s LYS 393 Cb -0.09 -3.54 -0.18 0.00 -0.52 0.00 0.00 37.83 33.50 3hg5 s LYS 393 CO -0.11 -0.46 0.74 1.28 -0.92 0.00 0.00 175.35 175.89 3hg5 n LEU 394 N 5.13 0.41 0.00 3.17 4.77 0.35 -4.90 117.00 125.93 3hg5 n LEU 394 Ca 0.11 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3hg5 n LEU 394 Cb 0.46 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3hg5 n LEU 394 CO 0.56 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3hg5 n GLY 395 N 1.23 -1.00 3.74 -0.72 0.00 -1.05 -4.92 105.19 102.46 3hg5 n GLY 395 Ca -0.03 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 3hg5 n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg5 s PHE 396 N 0.00 3.78 -0.14 1.61 0.08 -1.26 -1.26 117.98 120.79 3hg5 s PHE 396 Ca 0.00 1.65 0.01 0.00 0.12 0.00 0.00 56.93 58.71 3hg5 s PHE 396 Cb 0.00 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.52 3hg5 s PHE 396 CO 0.00 0.23 -0.15 0.71 -0.10 0.00 0.00 175.22 175.92 3hg5 s TYR 397 N -0.01 2.17 0.80 0.36 1.51 0.57 -4.98 117.35 117.78 3hg5 s TYR 397 Ca 0.43 -1.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.19 3hg5 s TYR 397 Cb -0.22 -1.58 0.07 0.00 -0.11 0.00 0.00 41.96 40.12 3hg5 s TYR 397 CO 0.27 -0.64 1.09 -2.00 -1.11 0.00 0.00 175.55 173.15 3hg5 s GLU 398 N 1.39 2.02 0.42 -0.62 2.12 -1.26 -1.08 118.70 121.70 3hg5 s GLU 398 Ca 0.03 0.95 0.10 0.00 0.36 0.00 0.00 54.97 56.42 3hg5 s GLU 398 Cb -0.13 -1.89 0.95 0.00 0.26 0.00 0.00 34.13 33.32 3hg5 s GLU 398 CO -0.09 -1.74 2.03 2.35 -0.54 0.00 0.00 175.26 177.27 3hg5 h TRP 399 N -1.19 0.46 -0.01 5.30 7.01 -0.96 -1.83 115.95 124.73 3hg5 h TRP 399 Ca -0.46 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.55 3hg5 h TRP 399 Cb 1.25 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 3hg5 h TRP 399 CO 0.52 0.26 -0.02 0.25 -2.79 0.00 0.00 178.44 176.66 3hg5 n THR 400 N -4.48 0.00 -2.16 2.65 -2.24 -1.26 -3.52 114.28 103.27 3hg5 n THR 400 Ca 0.05 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 3hg5 n THR 400 Cb 0.18 0.20 0.05 0.00 -2.10 0.00 0.00 70.33 68.66 3hg5 n THR 400 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hg5 s SER 401 N -2.06 5.16 -0.08 3.42 1.04 -0.69 -4.91 113.70 115.57 3hg5 s SER 401 Ca 0.39 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.56 3hg5 s SER 401 Cb 0.21 -1.49 -0.02 0.00 0.10 0.00 0.00 66.02 64.82 3hg5 s SER 401 CO 0.36 -1.41 -0.14 -0.13 0.98 0.00 0.00 173.24 172.90 3hg5 s ARG 402 N -5.23 2.83 -0.17 4.02 0.52 -1.26 -1.70 118.95 117.96 3hg5 s ARG 402 Ca 0.58 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 54.91 3hg5 s ARG 402 Cb -0.11 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3hg5 s ARG 402 CO 0.47 0.46 0.47 -1.17 0.02 0.00 0.00 175.30 175.55 3hg5 s LEU 403 N -0.31 4.20 -0.14 2.53 2.96 0.45 -4.92 118.68 123.46 3hg5 s LEU 403 Ca 0.02 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 3hg5 s LEU 403 Cb -0.13 -2.65 -0.00 0.00 0.50 0.00 0.00 46.19 43.91 3hg5 s LEU 403 CO 0.03 -0.08 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.66 3hg5 s ARG 404 N 1.17 3.17 0.19 1.98 0.52 -1.26 -1.30 118.95 123.42 3hg5 s ARG 404 Ca 0.23 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3hg5 s ARG 404 Cb -0.15 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 3hg5 s ARG 404 CO 0.09 0.08 0.14 0.45 0.02 0.00 0.00 175.30 176.08 3hg5 s SER 405 N 0.63 0.16 -0.03 0.23 0.15 0.71 -5.00 113.70 110.54 3hg5 s SER 405 Ca -0.10 -1.35 0.04 0.00 0.70 0.00 0.00 55.95 55.24 3hg5 s SER 405 Cb -0.16 0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3hg5 s SER 405 CO 0.03 -0.84 -0.14 -1.00 1.20 0.00 0.00 173.24 172.49 3hg5 s HIS 406 N -4.14 1.39 -0.07 3.44 3.76 -1.26 0.08 115.29 118.48 3hg5 s HIS 406 Ca 0.36 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 3hg5 s HIS 406 Cb 0.07 -0.95 0.02 0.00 1.11 0.00 0.00 32.58 32.82 3hg5 s HIS 406 CO 0.11 -0.13 -0.10 0.42 -0.85 0.00 0.00 174.74 174.18 3hg5 s ILE 407 N 0.09 1.06 0.42 0.60 1.01 -0.15 -4.89 121.20 119.34 3hg5 s ILE 407 Ca -0.03 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 3hg5 s ILE 407 Cb -0.10 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.29 3hg5 s ILE 407 CO 0.01 0.35 1.22 0.20 0.00 0.00 0.00 174.94 176.72 3hg5 s ASN 408 N 0.92 6.30 -0.01 3.58 0.01 -1.26 -1.17 114.94 123.32 3hg5 s ASN 408 Ca -0.10 2.46 -0.38 0.00 -0.71 0.00 0.00 52.86 54.13 3hg5 s ASN 408 Cb -0.15 -2.62 -0.17 0.00 0.41 0.00 0.00 41.25 38.72 3hg5 s ASN 408 CO 0.01 -0.84 1.36 -2.65 -1.51 0.00 0.00 177.10 173.47 3hg5 n PRO 409 N -0.10 0.90 -0.70 -0.60 -0.02 -1.26 -0.06 135.00 133.16 3hg5 n PRO 409 Ca 0.05 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3hg5 n PRO 409 Cb 0.46 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3hg5 n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hg5 n THR 410 N 2.70 0.00 -2.49 3.45 -2.24 0.48 -4.88 114.28 111.30 3hg5 n THR 410 Ca 0.20 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.75 3hg5 n THR 410 Cb 0.15 -0.33 0.06 0.00 -2.10 0.00 0.00 70.33 68.11 3hg5 n THR 410 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hg5 s GLY 411 N -2.00 1.78 -0.01 3.38 0.00 0.91 -3.83 107.32 107.55 3hg5 s GLY 411 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.47 3hg5 s GLY 411 CO 0.00 -0.90 -0.07 -1.59 0.00 0.00 0.00 173.10 170.54 3hg5 s THR 412 N -2.99 0.60 -0.25 0.90 2.01 -1.26 -1.93 115.64 112.71 3hg5 s THR 412 Ca 0.60 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 3hg5 s THR 412 Cb -0.09 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 3hg5 s THR 412 CO 0.42 0.17 0.18 -0.69 -0.69 0.00 0.00 174.62 174.01 3hg5 s VAL 413 N -0.10 5.34 -0.20 3.82 1.01 0.18 -3.95 120.40 126.49 3hg5 s VAL 413 Ca 0.02 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 3hg5 s VAL 413 Cb -0.04 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3hg5 s VAL 413 CO -0.00 0.31 -0.02 -0.22 0.00 0.00 0.00 175.10 175.17 3hg5 s LEU 414 N 1.30 3.14 0.06 3.92 2.96 -0.58 -0.62 118.68 128.86 3hg5 s LEU 414 Ca 0.08 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3hg5 s LEU 414 Cb -0.14 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3hg5 s LEU 414 CO 0.07 0.05 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.12 3hg5 s LEU 415 N 1.10 2.20 -0.15 -0.68 1.43 0.61 0.30 118.68 123.49 3hg5 s LEU 415 Ca 0.02 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 3hg5 s LEU 415 Cb -0.14 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 3hg5 s LEU 415 CO 0.01 0.23 -0.08 -1.58 0.23 0.00 0.00 176.35 175.16 3hg5 s GLN 416 N -1.42 3.52 -0.24 1.70 0.74 0.22 -0.54 119.66 123.63 3hg5 s GLN 416 Ca 0.12 -0.60 -0.06 0.00 0.05 0.00 0.00 55.36 54.86 3hg5 s GLN 416 Cb -0.10 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 31.19 3hg5 s GLN 416 CO 0.03 0.18 0.03 -0.51 -0.55 0.00 0.00 175.29 174.48 3hg5 s LEU 417 N 0.48 3.29 -0.29 3.68 1.02 0.16 -1.29 118.68 125.72 3hg5 s LEU 417 Ca -0.06 -0.25 -0.07 0.00 0.02 0.00 0.00 54.13 53.77 3hg5 s LEU 417 Cb -0.15 -1.87 0.01 0.00 0.02 0.00 0.00 46.19 44.20 3hg5 s LEU 417 CO 0.04 -0.02 0.08 -1.61 0.02 0.00 0.00 176.35 174.86 3hg5 s GLU 418 N 1.49 3.13 0.07 1.70 0.41 -0.48 -1.32 118.70 123.70 3hg5 s GLU 418 Ca 0.06 -0.83 -0.31 0.00 -0.41 0.00 0.00 54.97 53.48 3hg5 s GLU 418 Cb -0.15 -3.38 -0.08 0.00 -1.78 0.00 0.00 34.13 28.74 3hg5 s GLU 418 CO 0.02 -0.43 1.60 1.21 -0.49 0.00 0.00 175.26 177.17 3hg5 s ASN 419 N 1.51 6.64 0.08 -0.19 3.84 -1.25 -0.70 114.94 124.88 3hg5 s ASN 419 Ca 0.03 2.44 0.03 0.00 0.21 0.00 0.00 52.86 55.56 3hg5 s ASN 419 Cb -0.17 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 37.93 3hg5 s ASN 419 CO 0.03 -0.85 -0.08 0.42 -2.79 0.00 0.00 177.10 173.82 3hg5 s THR 420 N 2.46 0.75 -0.22 -5.21 -4.23 -0.90 -4.93 115.64 103.36 3hg5 s THR 420 Ca 0.72 -1.60 0.21 0.00 -1.18 0.00 0.00 61.69 59.84 3hg5 s THR 420 Cb -0.39 -1.28 -0.00 0.00 1.34 0.00 0.00 72.50 72.17 3hg5 s THR 420 CO 0.31 -0.62 1.05 -0.03 -0.54 0.00 0.00 174.62 174.79 3hg5 h MET 421 N 3.60 0.00 0.00 3.99 4.05 -1.95 -3.27 114.93 121.35 3hg5 h MET 421 Ca -0.36 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 3hg5 h MET 421 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3hg5 h MET 421 CO 0.54 0.08 0.00 1.04 0.23 0.00 0.00 176.91 178.79