#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg3 n ASP 33 N 0.00 7.65 -0.76 1.96 2.03 -1.26 -4.44 116.55 121.73 3hg3 n ASP 33 Ca 0.00 -3.09 0.07 0.00 0.52 0.00 0.00 54.79 52.28 3hg3 n ASP 33 Cb 0.00 -1.35 0.18 0.00 -0.72 0.00 0.00 41.12 39.23 3hg3 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hg3 n ASN 34 N 1.69 3.12 0.00 1.67 6.94 -1.26 -4.96 115.26 122.46 3hg3 n ASN 34 Ca 0.60 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 3hg3 n ASN 34 Cb 0.34 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3hg3 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hg3 n GLY 35 N 0.67 0.88 3.93 4.83 0.00 -1.26 -4.98 105.19 109.26 3hg3 n GLY 35 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 3hg3 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg3 s LEU 36 N 0.00 3.61 -1.49 0.99 1.43 -1.26 -4.62 118.68 117.34 3hg3 s LEU 36 Ca 0.00 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3hg3 s LEU 36 Cb 0.00 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.89 3hg3 s LEU 36 CO 0.00 -0.60 0.85 0.00 0.23 0.00 0.00 176.35 176.83 3hg3 n ALA 37 N -1.63 -1.52 0.24 4.21 0.00 -1.26 -4.13 120.51 116.42 3hg3 n ALA 37 Ca 0.03 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.64 3hg3 n ALA 37 Cb 0.60 -3.53 0.57 0.00 0.00 0.00 0.00 19.45 17.10 3hg3 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg3 h ARG 38 N -1.96 0.00 -5.66 0.00 2.47 -1.91 0.79 114.38 108.11 3hg3 h ARG 38 Ca -0.59 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 57.64 3hg3 h ARG 38 Cb 1.37 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.55 3hg3 h ARG 38 CO 0.65 0.18 -0.72 0.95 0.56 0.00 0.00 179.97 181.59 3hg3 s THR 39 N -3.85 1.84 0.25 2.04 -4.23 -1.26 -4.35 115.64 106.08 3hg3 s THR 39 Ca -0.01 -2.22 -0.31 0.00 -1.18 0.00 0.00 61.69 57.97 3hg3 s THR 39 Cb 0.11 -2.19 -0.14 0.00 1.34 0.00 0.00 72.50 71.63 3hg3 s THR 39 CO 0.61 -0.49 1.29 -2.65 -0.54 0.00 0.00 174.62 172.84 3hg3 n PRO 40 N -0.47 1.80 -1.93 3.99 -0.02 -1.26 -4.90 135.00 132.20 3hg3 n PRO 40 Ca -0.07 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 3hg3 n PRO 40 Cb 0.61 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3hg3 n PRO 40 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hg3 s THR 41 N -0.38 2.35 -0.04 3.45 2.01 -1.26 -4.74 115.64 117.03 3hg3 s THR 41 Ca 0.66 0.34 0.06 0.00 0.31 0.00 0.00 61.69 63.05 3hg3 s THR 41 Cb -0.68 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 3hg3 s THR 41 CO 0.53 0.08 -0.23 -0.04 -0.69 0.00 0.00 174.62 174.27 3hg3 s MET 42 N -1.64 2.20 0.00 4.92 -1.94 -1.26 -0.47 119.30 121.10 3hg3 s MET 42 Ca 0.53 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 3hg3 s MET 42 Cb -0.44 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 34.47 3hg3 s MET 42 CO 0.56 0.38 0.00 0.41 -0.01 0.00 0.00 175.02 176.36 3hg3 n GLY 43 N 2.87 0.89 3.03 -0.03 0.00 0.06 -1.99 105.19 110.02 3hg3 n GLY 43 Ca -0.17 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 3hg3 n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hg3 s TRP 44 N -1.56 0.93 -0.02 1.61 -0.00 0.59 -1.05 118.94 119.44 3hg3 s TRP 44 Ca 0.00 -0.20 0.01 0.00 -0.00 0.00 0.00 56.10 55.91 3hg3 s TRP 44 Cb 0.00 -0.63 0.01 0.00 -0.00 0.00 0.00 33.47 32.85 3hg3 s TRP 44 CO 0.00 -0.05 -0.05 -1.17 -0.00 0.00 0.00 176.95 175.68 3hg3 s LEU 45 N -0.06 1.64 0.46 5.86 2.96 0.22 0.09 118.68 129.85 3hg3 s LEU 45 Ca 0.01 -0.11 0.26 0.00 -0.22 0.00 0.00 54.13 54.07 3hg3 s LEU 45 Cb -0.06 -0.36 0.94 0.00 0.50 0.00 0.00 46.19 47.22 3hg3 s LEU 45 CO -0.00 0.00 1.83 1.12 -1.32 0.00 0.00 176.35 177.98 3hg3 h HIS 46 N 6.61 0.00 0.33 5.38 2.07 -1.82 -3.37 115.15 124.35 3hg3 h HIS 46 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 3hg3 h HIS 46 Cb 1.17 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.12 3hg3 h HIS 46 CO 0.46 0.16 -0.43 2.35 -3.07 0.00 0.00 177.93 177.40 3hg3 h TRP 47 N 0.00 -1.17 -0.77 6.12 2.91 -1.89 -0.90 115.95 120.25 3hg3 h TRP 47 Ca -0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 3hg3 h TRP 47 Cb 0.74 0.47 -0.04 0.00 -0.51 0.00 0.00 29.16 29.82 3hg3 h TRP 47 CO 0.00 -0.56 0.42 1.49 -1.03 0.00 0.00 178.44 178.76 3hg3 h GLU 48 N -0.80 1.07 0.24 2.65 4.22 -1.89 0.14 114.58 120.20 3hg3 h GLU 48 Ca -0.02 -0.12 -0.33 0.00 0.08 0.00 0.00 59.36 58.96 3hg3 h GLU 48 Cb 0.74 -0.21 0.04 0.00 0.50 0.00 0.00 28.75 29.82 3hg3 h GLU 48 CO -0.12 0.79 -1.45 -0.09 -2.18 0.00 0.00 179.01 175.96 3hg3 h ARG 49 N 1.06 0.53 0.00 1.92 9.65 -1.74 -3.40 114.38 122.39 3hg3 h ARG 49 Ca 0.27 -0.89 -0.03 0.00 -1.10 0.00 0.00 59.98 58.23 3hg3 h ARG 49 Cb 0.03 0.33 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3hg3 h ARG 49 CO -0.04 1.42 -1.48 1.19 2.80 0.00 0.00 179.97 183.86 3hg3 n PHE 50 N -3.71 0.00 -2.99 2.20 3.72 -0.35 -5.04 117.46 111.29 3hg3 n PHE 50 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3hg3 n PHE 50 Cb 1.09 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 3hg3 n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hg3 n MET 51 N -1.93 0.00 -2.30 -1.08 2.81 0.47 -3.34 117.12 111.76 3hg3 n MET 51 Ca -0.04 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.52 3hg3 n MET 51 Cb 0.36 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.88 3hg3 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg3 s ASN 53 N -2.44 6.49 0.00 0.00 3.84 -1.21 -4.86 114.94 116.77 3hg3 s ASN 53 Ca 0.49 0.53 0.15 0.00 0.21 0.00 0.00 52.86 54.24 3hg3 s ASN 53 Cb 0.40 -2.55 0.19 0.00 -0.55 0.00 0.00 41.25 38.74 3hg3 s ASN 53 CO -0.27 -1.36 1.07 0.18 -2.79 0.00 0.00 177.10 173.92 3hg3 n LEU 54 N 8.32 2.50 -4.27 3.21 4.77 -1.26 -0.59 117.00 129.69 3hg3 n LEU 54 Ca 0.13 -1.21 -0.44 0.00 -0.03 0.00 0.00 56.01 54.46 3hg3 n LEU 54 Cb 0.49 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3hg3 n LEU 54 CO 0.71 0.50 1.40 -0.67 -1.33 0.00 0.00 177.39 178.00 3hg3 n ASP 55 N 0.88 5.35 0.12 -1.43 2.03 -1.26 -4.77 116.55 117.47 3hg3 n ASP 55 Ca 0.11 -3.06 0.13 0.00 0.52 0.00 0.00 54.79 52.48 3hg3 n ASP 55 Cb 0.41 -1.49 0.45 0.00 -0.72 0.00 0.00 41.12 39.77 3hg3 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hg3 h GLN 57 N 0.00 -0.36 0.00 0.00 1.08 -1.97 -3.06 115.11 110.80 3hg3 h GLN 57 Ca 0.00 0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 57.04 3hg3 h GLN 57 Cb 0.56 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 3hg3 h GLN 57 CO 0.00 -0.01 -1.40 0.93 -0.95 0.00 0.00 178.83 177.40 3hg3 h GLU 58 N -0.81 0.00 -2.06 1.46 4.39 -1.97 -3.41 114.58 112.17 3hg3 h GLU 58 Ca -0.04 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.11 3hg3 h GLU 58 Cb 0.51 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.76 3hg3 h GLU 58 CO 0.06 0.33 -0.99 0.39 -1.16 0.00 0.00 179.01 177.65 3hg3 n GLU 59 N -2.93 1.37 0.23 2.33 1.02 0.00 -4.95 120.64 117.70 3hg3 n GLU 59 Ca -0.10 -3.69 0.08 0.00 -0.02 0.00 0.00 57.16 53.42 3hg3 n GLU 59 Cb 0.86 -1.63 0.54 0.00 -0.02 0.00 0.00 31.44 31.20 3hg3 n GLU 59 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3hg3 h PRO 60 N 3.69 0.00 0.00 3.49 0.13 -1.68 -1.88 132.00 135.74 3hg3 h PRO 60 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hg3 h PRO 60 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3hg3 h PRO 60 CO 0.58 0.22 -0.14 -0.25 -0.23 0.00 0.00 178.00 178.18 3hg3 n ASP 61 N -3.92 0.17 0.00 1.44 8.00 -1.26 -4.06 116.55 116.92 3hg3 n ASP 61 Ca -0.02 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3hg3 n ASP 61 Cb 0.30 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3hg3 n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hg3 n SER 62 N -1.54 0.49 -4.79 -2.24 3.41 -1.07 -4.98 113.62 102.90 3hg3 n SER 62 Ca 0.06 -0.92 -0.33 0.00 -0.26 0.00 0.00 58.87 57.42 3hg3 n SER 62 Cb 0.34 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 3hg3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hg3 s ILE 64 N -2.29 3.52 0.12 0.00 -1.09 0.24 -4.73 121.20 116.96 3hg3 s ILE 64 Ca 0.66 0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 59.36 3hg3 s ILE 64 Cb -0.18 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 3hg3 s ILE 64 CO 0.34 -1.17 0.14 -0.94 -1.23 0.00 0.00 174.94 172.08 3hg3 s SER 65 N 6.35 0.22 0.35 3.58 1.04 -1.26 -4.84 113.70 119.15 3hg3 s SER 65 Ca 0.57 -0.94 0.05 0.00 0.48 0.00 0.00 55.95 56.11 3hg3 s SER 65 Cb -0.12 0.33 0.70 0.00 0.10 0.00 0.00 66.02 67.03 3hg3 s SER 65 CO 0.20 -0.76 1.96 1.05 0.98 0.00 0.00 173.24 176.68 3hg3 h GLU 66 N 2.79 0.78 -0.78 4.02 4.11 -1.30 -2.32 114.58 121.88 3hg3 h GLU 66 Ca -0.34 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.05 3hg3 h GLU 66 Cb 1.20 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3hg3 h GLU 66 CO 0.56 0.52 0.51 -0.22 0.07 0.00 0.00 179.01 180.45 3hg3 h LYS 67 N 0.80 1.03 -0.42 1.06 3.64 -1.95 -0.69 116.57 120.04 3hg3 h LYS 67 Ca 0.31 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 3hg3 h LYS 67 Cb 0.19 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3hg3 h LYS 67 CO -0.10 0.69 0.20 1.25 -2.27 0.00 0.00 179.45 179.22 3hg3 h LEU 68 N 1.06 0.28 -0.62 5.20 5.85 -1.71 -0.82 115.31 124.54 3hg3 h LEU 68 Ca 0.28 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.88 3hg3 h LEU 68 Cb -0.10 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3hg3 h LEU 68 CO -0.06 0.20 -0.58 -0.26 -0.34 0.00 0.00 178.44 177.41 3hg3 h PHE 69 N 0.40 0.43 -0.55 1.25 0.04 -1.37 -2.08 116.94 115.06 3hg3 h PHE 69 Ca 0.18 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 3hg3 h PHE 69 Cb 0.10 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3hg3 h PHE 69 CO -0.11 0.84 0.04 0.52 -0.60 0.00 0.00 178.31 179.00 3hg3 h MET 70 N 0.26 0.95 -0.51 1.51 2.86 -0.84 -1.00 114.93 118.17 3hg3 h MET 70 Ca -0.00 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 3hg3 h MET 70 Cb 1.09 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 3hg3 h MET 70 CO 0.10 0.94 0.19 0.93 1.06 0.00 0.00 176.91 180.12 3hg3 h GLU 71 N 0.84 0.77 -0.66 1.72 5.08 -1.05 -2.00 114.58 119.28 3hg3 h GLU 71 Ca 0.16 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3hg3 h GLU 71 Cb 0.49 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hg3 h GLU 71 CO 0.02 0.69 0.15 0.52 -1.00 0.00 0.00 179.01 179.39 3hg3 h MET 72 N 0.68 1.05 -0.21 2.33 2.86 -1.27 -2.22 114.93 118.15 3hg3 h MET 72 Ca 0.17 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3hg3 h MET 72 Cb 0.22 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3hg3 h MET 72 CO -0.01 0.94 0.08 0.00 1.06 0.00 0.00 176.91 178.97 3hg3 h ALA 73 N 1.15 0.24 -0.33 6.32 0.00 -1.01 0.77 119.26 126.41 3hg3 h ALA 73 Ca 0.21 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3hg3 h ALA 73 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hg3 h ALA 73 CO 0.00 -0.34 0.10 0.93 0.00 0.00 0.00 179.25 179.94 3hg3 h GLU 74 N 0.18 0.23 -0.10 0.00 5.08 -1.18 -2.90 114.58 115.88 3hg3 h GLU 74 Ca 0.09 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 3hg3 h GLU 74 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3hg3 h GLU 74 CO -0.09 0.15 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.47 3hg3 h LEU 75 N 0.24 0.32 -1.38 1.33 3.38 -1.19 -0.40 115.31 117.61 3hg3 h LEU 75 Ca 0.15 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3hg3 h LEU 75 Cb 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3hg3 h LEU 75 CO -0.16 0.80 0.50 0.24 0.09 0.00 0.00 178.44 179.90 3hg3 h MET 76 N 0.23 0.68 0.07 1.13 2.86 -0.65 0.75 114.93 120.00 3hg3 h MET 76 Ca 0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hg3 h MET 76 Cb 1.01 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.52 3hg3 h MET 76 CO 0.09 0.45 -0.03 0.28 1.06 0.00 0.00 176.91 178.75 3hg3 h VAL 77 N 0.70 0.43 0.00 -2.22 2.07 -1.32 0.81 116.25 116.72 3hg3 h VAL 77 Ca 0.35 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 3hg3 h VAL 77 Cb 0.42 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3hg3 h VAL 77 CO -0.13 0.14 -0.34 0.77 0.02 0.00 0.00 177.57 178.03 3hg3 h SER 78 N -1.00 0.00 -0.67 0.57 4.64 -0.89 -2.69 113.55 113.50 3hg3 h SER 78 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hg3 h SER 78 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hg3 h SER 78 CO 0.02 0.34 0.00 -0.62 -0.87 0.00 0.00 176.83 175.70 3hg3 n GLU 79 N -4.03 2.66 -0.79 4.77 -0.58 0.24 -4.95 120.64 117.96 3hg3 n GLU 79 Ca -0.02 -2.44 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 3hg3 n GLU 79 Cb 0.39 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3hg3 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg3 n GLY 80 N 1.52 0.59 0.13 0.62 0.00 -1.02 -4.95 105.19 102.08 3hg3 n GLY 80 Ca 0.23 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3hg3 n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hg3 h TRP 81 N 0.00 0.37 -0.53 1.61 4.06 -1.50 -2.08 115.95 117.87 3hg3 h TRP 81 Ca 0.00 -0.07 0.05 0.00 2.06 0.00 0.00 58.89 60.93 3hg3 h TRP 81 Cb 0.00 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.02 3hg3 h TRP 81 CO 0.00 0.54 0.28 -0.22 -3.56 0.00 0.00 178.44 175.48 3hg3 h LYS 82 N 0.08 0.52 -0.55 0.49 3.64 -0.87 -1.38 116.57 118.50 3hg3 h LYS 82 Ca 0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3hg3 h LYS 82 Cb 0.40 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3hg3 h LYS 82 CO 0.01 0.34 0.36 -0.44 -2.27 0.00 0.00 179.45 177.46 3hg3 h ASP 83 N 0.53 0.60 1.24 4.20 3.45 -1.79 -1.18 116.42 123.47 3hg3 h ASP 83 Ca 0.23 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.68 3hg3 h ASP 83 Cb 0.13 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3hg3 h ASP 83 CO -0.16 0.43 0.00 0.00 -1.57 0.00 0.00 179.24 177.94 3hg3 h ALA 84 N 1.67 1.00 0.00 3.45 0.00 -0.79 -3.47 119.26 121.12 3hg3 h ALA 84 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hg3 h ALA 84 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hg3 h ALA 84 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3hg3 n GLY 85 N 0.34 1.13 3.57 0.00 0.00 -0.45 -5.04 105.19 104.74 3hg3 n GLY 85 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3hg3 n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hg3 s TYR 86 N -1.28 2.40 -0.00 1.61 2.02 -0.57 -4.59 117.35 116.93 3hg3 s TYR 86 Ca 0.00 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 3hg3 s TYR 86 Cb 0.00 -4.49 -0.02 0.00 -0.40 0.00 0.00 41.96 37.05 3hg3 s TYR 86 CO 0.00 -1.85 0.03 -0.85 -1.57 0.00 0.00 175.55 171.31 3hg3 n GLU 87 N 8.75 0.10 -3.35 -0.62 0.28 -0.84 -3.29 120.64 121.67 3hg3 n GLU 87 Ca 0.09 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.16 56.65 3hg3 n GLU 87 Cb 0.49 -1.04 -0.09 0.00 1.43 0.00 0.00 31.44 32.23 3hg3 n GLU 87 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3hg3 s TYR 88 N -2.11 3.18 -0.37 -1.84 2.02 -0.91 -0.85 117.35 116.48 3hg3 s TYR 88 Ca -0.01 -0.23 -0.19 0.00 -0.37 0.00 0.00 57.07 56.27 3hg3 s TYR 88 Cb 0.01 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 3hg3 s TYR 88 CO 0.07 -0.60 0.55 -1.17 -1.57 0.00 0.00 175.55 172.83 3hg3 s LEU 89 N 2.10 4.39 -0.13 -1.29 2.96 0.79 -0.30 118.68 127.20 3hg3 s LEU 89 Ca 0.12 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3hg3 s LEU 89 Cb -0.17 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 3hg3 s LEU 89 CO 0.13 -0.56 -0.16 0.00 -1.32 0.00 0.00 176.35 174.44 3hg3 s ILE 91 N 0.42 5.06 0.00 0.00 1.01 0.24 -2.93 121.20 125.00 3hg3 s ILE 91 Ca -0.12 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3hg3 s ILE 91 Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3hg3 s ILE 91 CO 0.06 0.32 0.00 -0.67 0.00 0.00 0.00 174.94 174.64 3hg3 n ASP 92 N 3.48 0.00 -4.70 3.58 -0.08 -1.26 -3.10 116.55 114.47 3hg3 n ASP 92 Ca -0.04 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.92 3hg3 n ASP 92 Cb 0.51 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.12 3hg3 n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3hg3 s ASP 93 N -1.00 3.32 -0.12 1.67 -1.08 -1.26 -4.22 116.67 113.98 3hg3 s ASP 93 Ca 0.00 2.13 0.00 0.00 -0.52 0.00 0.00 52.55 54.16 3hg3 s ASP 93 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3hg3 s ASP 93 CO 0.00 -2.84 0.00 0.00 0.52 0.00 0.00 175.17 172.85 3hg3 n TRP 95 N -3.86 0.58 -3.40 0.00 4.27 -1.26 -4.91 117.44 108.85 3hg3 n TRP 95 Ca -0.02 0.18 -0.24 0.00 -3.89 0.00 0.00 57.50 53.53 3hg3 n TRP 95 Cb 0.45 -0.90 -0.01 0.00 -1.36 0.00 0.00 31.31 29.49 3hg3 n TRP 95 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hg3 s MET 96 N -3.11 3.50 0.87 -2.67 0.23 -1.26 -1.32 119.30 115.54 3hg3 s MET 96 Ca -0.05 -0.31 -0.10 0.00 -1.03 0.00 0.00 55.69 54.20 3hg3 s MET 96 Cb 0.10 -2.68 0.12 0.00 -1.53 0.00 0.00 34.83 30.84 3hg3 s MET 96 CO 0.84 0.17 1.12 0.00 -2.03 0.00 0.00 175.02 175.12 3hg3 s ALA 97 N -2.26 1.69 0.49 3.16 0.00 0.13 -4.40 121.76 120.56 3hg3 s ALA 97 Ca 0.40 0.39 0.21 0.00 0.00 0.00 0.00 51.96 52.96 3hg3 s ALA 97 Cb -0.10 -3.36 1.34 0.00 0.00 0.00 0.00 23.12 21.01 3hg3 s ALA 97 CO 0.35 -2.40 2.11 -1.35 0.00 0.00 0.00 175.76 174.46 3hg3 h PRO 98 N -1.60 0.00 -5.43 0.00 0.11 -1.97 -3.42 132.00 119.68 3hg3 h PRO 98 Ca -0.45 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.25 3hg3 h PRO 98 Cb 1.26 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 3hg3 h PRO 98 CO 0.47 0.09 -0.74 -0.65 -0.21 0.00 0.00 178.00 176.95 3hg3 s GLN 99 N -4.65 1.17 0.65 1.05 -1.52 -1.26 -4.38 119.66 110.72 3hg3 s GLN 99 Ca -0.04 -1.44 -0.14 0.00 -1.95 0.00 0.00 55.36 51.79 3hg3 s GLN 99 Cb 0.15 -0.95 -0.01 0.00 -0.22 0.00 0.00 33.01 31.98 3hg3 s GLN 99 CO 0.63 0.16 1.07 1.03 -0.25 0.00 0.00 175.29 177.94 3hg3 s ARG 100 N -3.32 3.00 1.09 2.91 0.52 -1.26 -4.47 118.95 117.41 3hg3 s ARG 100 Ca 0.17 1.18 -0.18 0.00 -0.52 0.00 0.00 55.73 56.38 3hg3 s ARG 100 Cb -0.02 -1.99 0.25 0.00 0.52 0.00 0.00 34.95 33.71 3hg3 s ARG 100 CO 0.04 -1.06 1.22 0.16 0.02 0.00 0.00 175.30 175.68 3hg3 s ASP 101 N -3.06 1.97 0.03 0.23 1.47 0.02 -4.86 116.67 112.47 3hg3 s ASP 101 Ca 0.63 0.42 0.14 0.00 1.18 0.00 0.00 52.55 54.91 3hg3 s ASP 101 Cb -0.17 -0.54 0.58 0.00 -0.34 0.00 0.00 42.92 42.45 3hg3 s ASP 101 CO 0.44 -3.46 1.43 -1.54 0.68 0.00 0.00 175.17 172.73 3hg3 n SER 102 N -4.28 0.08 -1.32 2.11 3.41 -1.26 -0.79 113.62 111.57 3hg3 n SER 102 Ca 0.15 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 3hg3 n SER 102 Cb 0.59 -0.54 0.31 0.00 -0.26 0.00 0.00 64.21 64.32 3hg3 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hg3 n GLU 103 N -1.59 2.72 -1.15 4.33 -0.58 -1.26 -4.94 120.64 118.16 3hg3 n GLU 103 Ca 0.03 -2.54 -0.05 0.00 -0.42 0.00 0.00 57.16 54.17 3hg3 n GLU 103 Cb 0.15 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 3hg3 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hg3 n GLY 104 N 1.57 0.76 3.86 0.62 0.00 0.03 -5.02 105.19 107.01 3hg3 n GLY 104 Ca 0.24 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3hg3 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hg3 s ARG 105 N -2.20 3.88 0.41 1.61 0.52 -1.26 -4.81 118.95 117.11 3hg3 s ARG 105 Ca 0.00 0.35 -0.27 0.00 -0.52 0.00 0.00 55.73 55.30 3hg3 s ARG 105 Cb 0.00 -2.84 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 3hg3 s ARG 105 CO 0.00 0.44 1.44 -0.51 0.02 0.00 0.00 175.30 176.68 3hg3 s LEU 106 N -2.26 4.23 -0.02 2.53 1.43 -1.26 -0.80 118.68 122.52 3hg3 s LEU 106 Ca 0.40 2.95 0.08 0.00 -1.03 0.00 0.00 54.13 56.53 3hg3 s LEU 106 Cb -0.13 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 3hg3 s LEU 106 CO 0.20 -0.99 -0.26 -1.10 0.23 0.00 0.00 176.35 174.43 3hg3 s GLN 107 N -2.25 2.16 0.29 1.70 -0.21 -1.26 -4.84 119.66 115.25 3hg3 s GLN 107 Ca 0.56 -0.92 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 3hg3 s GLN 107 Cb -0.44 -2.06 -0.10 0.00 1.00 0.00 0.00 33.01 31.41 3hg3 s GLN 107 CO 0.59 0.54 1.45 0.00 -2.12 0.00 0.00 175.29 175.75 3hg3 s ALA 108 N -0.57 3.61 0.06 6.09 0.00 -1.26 0.19 121.76 129.89 3hg3 s ALA 108 Ca 0.09 1.39 -0.35 0.00 0.00 0.00 0.00 51.96 53.08 3hg3 s ALA 108 Cb -0.10 -3.56 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 3hg3 s ALA 108 CO -0.01 -0.81 1.59 -3.47 0.00 0.00 0.00 175.76 173.07 3hg3 n ASP 109 N 1.75 2.74 0.23 0.00 2.03 -0.44 -4.38 116.55 118.48 3hg3 n ASP 109 Ca 0.05 1.07 0.09 0.00 0.52 0.00 0.00 54.79 56.52 3hg3 n ASP 109 Cb 0.40 -1.33 0.56 0.00 -0.72 0.00 0.00 41.12 40.03 3hg3 n ASP 109 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg3 h PRO 110 N 6.28 0.00 0.10 -0.67 0.13 -1.91 0.24 132.00 136.17 3hg3 h PRO 110 Ca -0.46 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 3hg3 h PRO 110 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3hg3 h PRO 110 CO 0.88 0.21 -1.81 1.96 -0.23 0.00 0.00 178.00 179.01 3hg3 h GLN 111 N 0.00 0.20 0.00 0.86 7.50 -1.96 -3.27 115.11 118.44 3hg3 h GLN 111 Ca -0.00 -0.35 -0.15 0.00 0.50 0.00 0.00 58.65 58.65 3hg3 h GLN 111 Cb 0.52 0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.15 3hg3 h GLN 111 CO 0.03 1.02 -1.99 0.54 -1.50 0.00 0.00 178.83 176.93 3hg3 n ARG 112 N -3.37 0.66 -3.06 1.46 1.74 -1.19 -4.40 116.66 108.51 3hg3 n ARG 112 Ca -0.24 -0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.55 3hg3 n ARG 112 Cb 1.05 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 3hg3 n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hg3 n PHE 113 N -2.55 2.45 0.24 -1.55 3.72 0.84 -0.75 117.46 119.87 3hg3 n PHE 113 Ca -0.14 -3.93 0.07 0.00 -0.05 0.00 0.00 57.45 53.40 3hg3 n PHE 113 Cb 0.81 -0.46 0.60 0.00 -0.94 0.00 0.00 39.48 39.48 3hg3 n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hg3 h PRO 114 N 3.04 0.00 -0.00 -1.08 0.13 -1.66 -1.70 132.00 130.73 3hg3 h PRO 114 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hg3 h PRO 114 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3hg3 h PRO 114 CO 0.69 0.10 -0.16 0.72 -0.23 0.00 0.00 178.00 179.12 3hg3 n HIS 115 N -4.32 0.00 0.00 1.56 8.25 -1.26 -5.02 115.22 114.43 3hg3 n HIS 115 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3hg3 n HIS 115 Cb 0.18 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.96 3hg3 n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hg3 n GLY 116 N 1.42 -1.45 0.14 -1.41 0.00 -0.64 -4.27 105.19 98.99 3hg3 n GLY 116 Ca 0.09 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 3hg3 n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hg3 h ILE 117 N 0.00 1.44 -0.15 -0.61 1.08 -1.97 -3.01 117.51 114.30 3hg3 h ILE 117 Ca 0.00 -2.51 0.04 0.00 -0.39 0.00 0.00 64.86 62.00 3hg3 h ILE 117 Cb 0.00 2.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 3hg3 h ILE 117 CO 0.00 0.74 -0.12 -0.09 -0.69 0.00 0.00 178.15 178.00 3hg3 h ARG 118 N 0.17 -0.12 -0.90 2.37 2.43 -1.84 0.27 114.38 116.76 3hg3 h ARG 118 Ca -0.06 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hg3 h ARG 118 Cb 1.53 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.06 3hg3 h ARG 118 CO 0.15 -0.08 0.55 1.96 -1.51 0.00 0.00 179.97 181.03 3hg3 h GLN 119 N -0.13 1.22 -0.35 0.20 4.20 -1.74 -0.65 115.11 117.87 3hg3 h GLN 119 Ca 0.09 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3hg3 h GLN 119 Cb 0.26 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3hg3 h GLN 119 CO -0.22 0.85 0.15 1.25 -0.67 0.00 0.00 178.83 180.19 3hg3 h LEU 120 N 1.24 0.47 -0.56 1.46 5.85 -1.27 -0.69 115.31 121.81 3hg3 h LEU 120 Ca 0.32 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3hg3 h LEU 120 Cb -0.06 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3hg3 h LEU 120 CO -0.06 0.49 0.33 0.00 -0.34 0.00 0.00 178.44 178.85 3hg3 h ALA 121 N 1.00 0.72 -0.60 1.25 0.00 -0.17 0.28 119.26 121.74 3hg3 h ALA 121 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hg3 h ALA 121 Cb 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3hg3 h ALA 121 CO -0.01 0.03 0.34 -0.91 0.00 0.00 0.00 179.25 178.70 3hg3 h ASN 122 N 0.64 0.53 -0.26 0.00 2.35 -0.89 0.52 115.58 118.47 3hg3 h ASN 122 Ca 0.23 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3hg3 h ASN 122 Cb 0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3hg3 h ASN 122 CO -0.11 0.36 0.12 0.22 -1.65 0.00 0.00 177.43 176.36 3hg3 h TYR 123 N 0.66 0.38 -0.45 1.19 3.20 -0.55 -1.56 116.97 119.84 3hg3 h TYR 123 Ca 0.26 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3hg3 h TYR 123 Cb 0.11 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3hg3 h TYR 123 CO -0.07 0.37 0.27 0.28 -1.64 0.00 0.00 178.16 177.37 3hg3 h VAL 124 N 0.28 1.14 -0.50 1.81 2.07 -0.71 -2.78 116.25 117.57 3hg3 h VAL 124 Ca 0.09 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3hg3 h VAL 124 Cb 0.14 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3hg3 h VAL 124 CO -0.01 0.14 0.17 0.45 0.02 0.00 0.00 177.57 178.35 3hg3 h HIS 125 N 0.59 0.73 0.00 1.57 3.86 -0.77 -1.99 115.15 119.14 3hg3 h HIS 125 Ca 0.16 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3hg3 h HIS 125 Cb -0.00 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.24 3hg3 h HIS 125 CO -0.03 0.59 0.00 0.66 0.86 0.00 0.00 177.93 180.01 3hg3 h SER 126 N 0.72 0.00 0.01 2.45 4.64 -1.00 -0.56 113.55 119.81 3hg3 h SER 126 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3hg3 h SER 126 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3hg3 h SER 126 CO -0.01 0.00 -0.03 0.29 -0.87 0.00 0.00 176.83 176.21 3hg3 n LYS 127 N -3.03 1.64 -1.11 4.77 4.76 -0.80 -4.92 118.16 119.47 3hg3 n LYS 127 Ca -0.01 -1.02 -0.00 0.00 -2.87 0.00 0.00 58.31 54.41 3hg3 n LYS 127 Cb 0.19 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 31.90 3hg3 n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hg3 n GLY 128 N 1.21 0.39 3.82 0.72 0.00 -0.22 -4.93 105.19 106.19 3hg3 n GLY 128 Ca 0.18 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 3hg3 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg3 s LEU 129 N -0.04 3.28 0.11 0.99 1.43 -0.92 -5.02 118.68 118.51 3hg3 s LEU 129 Ca 0.00 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.31 3hg3 s LEU 129 Cb 0.00 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3hg3 s LEU 129 CO 0.00 -0.62 -0.17 -0.54 0.23 0.00 0.00 176.35 175.25 3hg3 s LYS 130 N -4.05 1.83 -0.19 1.70 1.02 -0.03 -3.73 119.74 116.29 3hg3 s LYS 130 Ca 0.45 -1.15 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 3hg3 s LYS 130 Cb -0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3hg3 s LYS 130 CO 0.26 0.49 0.05 -1.17 -0.92 0.00 0.00 175.35 174.05 3hg3 s LEU 131 N -2.10 3.66 0.00 3.17 2.96 -1.26 -0.15 118.68 124.96 3hg3 s LEU 131 Ca 0.18 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3hg3 s LEU 131 Cb -0.11 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3hg3 s LEU 131 CO 0.10 0.13 0.10 -0.83 -1.32 0.00 0.00 176.35 174.53 3hg3 s GLY 132 N 0.63 2.04 0.35 7.98 0.00 0.48 -0.26 107.32 118.54 3hg3 s GLY 132 Ca 0.02 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.91 3hg3 s GLY 132 CO 0.02 -0.76 0.13 -1.50 0.00 0.00 0.00 173.10 170.99 3hg3 s ILE 133 N -1.23 0.60 -0.01 0.90 2.07 -0.06 -0.59 121.20 122.87 3hg3 s ILE 133 Ca 0.24 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.51 3hg3 s ILE 133 Cb -0.12 -2.50 -0.01 0.00 0.13 0.00 0.00 42.46 39.97 3hg3 s ILE 133 CO 0.15 0.00 -0.11 -0.47 -1.91 0.00 0.00 174.94 172.60 3hg3 s TYR 134 N -3.39 1.05 0.32 3.50 5.04 -1.18 -1.06 117.35 121.64 3hg3 s TYR 134 Ca 0.31 -0.22 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 3hg3 s TYR 134 Cb 0.05 -0.69 -0.00 0.00 0.35 0.00 0.00 41.96 41.66 3hg3 s TYR 134 CO 0.16 -0.05 0.46 0.00 -1.34 0.00 0.00 175.55 174.78 3hg3 s ALA 135 N -0.14 0.66 -0.02 3.97 0.00 -0.47 -4.93 121.76 120.83 3hg3 s ALA 135 Ca 0.02 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.56 3hg3 s ALA 135 Cb -0.06 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.22 3hg3 s ALA 135 CO -0.00 -0.79 -0.07 0.34 0.00 0.00 0.00 175.76 175.24 3hg3 s ASP 136 N -3.20 0.92 0.52 0.00 -1.08 -1.26 -0.66 116.67 111.91 3hg3 s ASP 136 Ca 0.30 -0.14 0.28 0.00 -0.52 0.00 0.00 52.55 52.47 3hg3 s ASP 136 Cb -0.00 -0.23 1.44 0.00 -1.46 0.00 0.00 42.92 42.67 3hg3 s ASP 136 CO 0.18 0.05 2.06 1.62 0.52 0.00 0.00 175.17 179.60 3hg3 h VAL 137 N 5.37 0.52 -2.39 1.11 3.04 -1.27 0.18 116.25 122.80 3hg3 h VAL 137 Ca -0.33 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 3hg3 h VAL 137 Cb 1.17 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3hg3 h VAL 137 CO 0.49 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.78 3hg3 n GLY 138 N -0.61 1.05 0.17 3.17 0.00 -1.23 -3.47 105.19 104.27 3hg3 n GLY 138 Ca -0.02 -1.91 0.04 0.00 0.00 0.00 0.00 46.02 44.13 3hg3 n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hg3 h ASN 139 N 0.00 0.00 -5.18 1.61 2.35 -1.52 -2.17 115.58 110.67 3hg3 h ASN 139 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 3hg3 h ASN 139 Cb 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.21 3hg3 h ASN 139 CO 0.00 0.45 -0.68 -0.54 -1.65 0.00 0.00 177.43 175.01 3hg3 s LYS 140 N -3.46 0.55 0.83 0.81 1.02 -1.26 -1.11 119.74 117.13 3hg3 s LYS 140 Ca 0.01 -1.08 -0.11 0.00 0.02 0.00 0.00 55.97 54.80 3hg3 s LYS 140 Cb 0.10 0.19 0.09 0.00 -0.52 0.00 0.00 37.83 37.70 3hg3 s LYS 140 CO 0.71 -0.10 1.09 0.95 -0.92 0.00 0.00 175.35 177.08 3hg3 s THR 141 N -3.39 2.93 0.48 2.17 -4.23 0.14 -4.47 115.64 109.27 3hg3 s THR 141 Ca 0.02 0.30 0.17 0.00 -1.18 0.00 0.00 61.69 61.01 3hg3 s THR 141 Cb 0.04 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.27 3hg3 s THR 141 CO -0.08 -0.40 2.04 0.00 -0.54 0.00 0.00 174.62 175.64 3hg3 n ALA 143 N -2.56 2.77 0.00 0.00 0.00 -1.26 -4.93 120.51 114.53 3hg3 n ALA 143 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3hg3 n ALA 143 Cb 0.34 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3hg3 n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg3 n GLY 144 N 1.31 1.00 3.92 0.00 0.00 0.39 -5.08 105.19 106.73 3hg3 n GLY 144 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3hg3 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg3 s PHE 145 N -2.00 3.04 0.12 1.61 0.08 -1.26 -4.73 117.98 114.85 3hg3 s PHE 145 Ca 0.00 0.54 -0.35 0.00 0.12 0.00 0.00 56.93 57.24 3hg3 s PHE 145 Cb 0.00 -3.05 -0.15 0.00 -0.57 0.00 0.00 43.02 39.25 3hg3 s PHE 145 CO 0.00 -1.22 1.47 -2.30 -0.10 0.00 0.00 175.22 173.07 3hg3 n PRO 146 N -2.83 1.69 -2.68 0.24 -0.02 -1.26 0.24 135.00 130.39 3hg3 n PRO 146 Ca 0.07 0.61 -0.22 0.00 -2.02 0.00 0.00 63.50 61.94 3hg3 n PRO 146 Cb 0.59 -2.32 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3hg3 n PRO 146 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hg3 s GLY 147 N 0.75 1.73 0.00 -1.23 0.00 -0.26 -4.22 107.32 104.09 3hg3 s GLY 147 Ca 0.81 -1.18 0.25 0.00 0.00 0.00 0.00 44.72 44.61 3hg3 s GLY 147 CO 0.42 -0.92 1.43 1.44 0.00 0.00 0.00 173.10 175.47 3hg3 n SER 148 N -2.33 1.60 -4.68 1.64 7.64 0.62 -4.78 113.62 113.32 3hg3 n SER 148 Ca 0.06 -1.29 -0.45 0.00 1.01 0.00 0.00 58.87 58.20 3hg3 n SER 148 Cb 0.59 0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.95 3hg3 n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hg3 n PHE 149 N -0.12 2.41 -0.80 1.43 7.35 -0.87 -0.37 117.46 126.49 3hg3 n PHE 149 Ca 0.13 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 3hg3 n PHE 149 Cb 0.41 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 37.63 3hg3 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hg3 n GLY 150 N 3.74 1.16 0.36 7.13 0.00 -1.26 -4.84 105.19 111.49 3hg3 n GLY 150 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3hg3 n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hg3 n TYR 151 N -2.00 0.00 -0.18 1.61 4.01 0.50 -4.93 117.16 116.17 3hg3 n TYR 151 Ca 0.00 -0.22 -0.03 0.00 -0.16 0.00 0.00 57.90 57.49 3hg3 n TYR 151 Cb 0.00 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.03 3hg3 n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3hg3 h TYR 152 N 0.00 0.46 -0.18 -0.72 0.05 -1.80 -0.02 116.97 114.77 3hg3 h TYR 152 Ca 0.00 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3hg3 h TYR 152 Cb 1.27 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 3hg3 h TYR 152 CO 0.07 0.20 -0.02 -0.44 -1.05 0.00 0.00 178.16 176.92 3hg3 h ASP 153 N 0.48 0.32 -0.17 3.88 3.32 -1.91 -1.72 116.42 120.62 3hg3 h ASP 153 Ca 0.25 -0.34 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3hg3 h ASP 153 Cb 0.21 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3hg3 h ASP 153 CO -0.20 0.58 -0.01 0.40 -1.72 0.00 0.00 179.24 178.30 3hg3 h ILE 154 N 0.06 0.87 -0.55 0.35 2.04 -1.87 -1.45 117.51 116.96 3hg3 h ILE 154 Ca 0.05 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 3hg3 h ILE 154 Cb 0.43 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3hg3 h ILE 154 CO 0.01 0.01 0.08 0.44 0.00 0.00 0.00 178.15 178.70 3hg3 h ASP 155 N 0.05 0.88 -0.27 1.72 3.45 -0.99 0.37 116.42 121.63 3hg3 h ASP 155 Ca 0.08 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.28 3hg3 h ASP 155 Cb 0.10 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 3hg3 h ASP 155 CO -0.14 0.92 0.18 0.00 -1.57 0.00 0.00 179.24 178.62 3hg3 h ALA 156 N 0.99 0.34 -0.67 3.45 0.00 -1.20 -0.14 119.26 122.03 3hg3 h ALA 156 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hg3 h ALA 156 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hg3 h ALA 156 CO 0.01 -0.19 0.19 1.96 0.00 0.00 0.00 179.25 181.22 3hg3 h GLN 157 N 0.36 1.05 -0.01 0.00 1.08 -1.10 -1.50 115.11 114.99 3hg3 h GLN 157 Ca 0.10 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3hg3 h GLN 157 Cb -0.04 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3hg3 h GLN 157 CO -0.02 0.91 -0.05 1.15 -0.95 0.00 0.00 178.83 179.87 3hg3 h THR 158 N 1.00 0.87 -0.22 -0.54 2.02 -0.60 -1.83 112.91 113.62 3hg3 h THR 158 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 3hg3 h THR 158 Cb 0.32 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3hg3 h THR 158 CO -0.00 0.00 0.13 -0.26 0.37 0.00 0.00 175.52 175.76 3hg3 h PHE 159 N -0.08 0.29 -0.78 3.16 0.04 -0.85 -2.22 116.94 116.49 3hg3 h PHE 159 Ca 0.02 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3hg3 h PHE 159 Cb 0.11 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 3hg3 h PHE 159 CO -0.12 0.23 0.39 0.00 -0.60 0.00 0.00 178.31 178.20 3hg3 h ALA 160 N 1.04 1.01 0.00 2.45 0.00 -1.22 -1.72 119.26 120.82 3hg3 h ALA 160 Ca 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hg3 h ALA 160 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hg3 h ALA 160 CO -0.01 0.56 -0.18 -0.44 0.00 0.00 0.00 179.25 179.17 3hg3 h ASP 161 N 1.10 0.00 1.17 0.00 3.32 -1.23 -2.22 116.42 118.56 3hg3 h ASP 161 Ca 0.27 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3hg3 h ASP 161 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3hg3 h ASP 161 CO -0.04 0.18 -0.28 -0.50 -1.72 0.00 0.00 179.24 176.89 3hg3 h TRP 162 N 0.00 0.00 0.00 4.55 6.55 -0.91 -3.48 115.95 122.67 3hg3 h TRP 162 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3hg3 h TRP 162 Cb 0.74 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.04 3hg3 h TRP 162 CO 0.00 0.28 0.00 0.41 -1.05 0.00 0.00 178.44 178.08 3hg3 n GLY 163 N 0.53 0.89 3.75 1.49 0.00 -0.84 -4.54 105.19 106.46 3hg3 n GLY 163 Ca 0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3hg3 n GLY 163 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hg3 n VAL 164 N -2.19 2.10 0.20 1.61 0.31 -0.69 -4.74 118.33 114.93 3hg3 n VAL 164 Ca 0.00 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 63.86 3hg3 n VAL 164 Cb 0.00 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 3hg3 n VAL 164 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hg3 n ASP 165 N 0.48 0.87 -3.74 4.52 8.00 0.64 -4.74 116.55 122.59 3hg3 n ASP 165 Ca 0.03 -0.51 -0.13 0.00 0.71 0.00 0.00 54.79 54.89 3hg3 n ASP 165 Cb 0.38 1.04 -0.10 0.00 -0.02 0.00 0.00 41.12 42.43 3hg3 n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hg3 s LEU 166 N -2.45 0.49 -0.12 0.64 0.20 -0.92 -1.00 118.68 115.52 3hg3 s LEU 166 Ca 0.01 0.77 0.01 0.00 0.69 0.00 0.00 54.13 55.61 3hg3 s LEU 166 Cb 0.04 1.37 0.02 0.00 -0.43 0.00 0.00 46.19 47.19 3hg3 s LEU 166 CO 0.22 -0.16 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.75 3hg3 s LEU 167 N 0.12 1.71 -0.24 -0.68 2.96 0.54 -0.88 118.68 122.19 3hg3 s LEU 167 Ca -0.01 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 3hg3 s LEU 167 Cb -0.03 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 3hg3 s LEU 167 CO 0.01 -0.01 0.43 -0.75 -1.32 0.00 0.00 176.35 174.71 3hg3 s LYS 168 N 1.14 4.08 -0.33 1.98 2.20 -0.22 -0.50 119.74 128.09 3hg3 s LYS 168 Ca -0.03 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 3hg3 s LYS 168 Cb -0.14 -3.62 0.08 0.00 -1.51 0.00 0.00 37.83 32.64 3hg3 s LYS 168 CO -0.04 -0.23 0.04 0.12 -0.36 0.00 0.00 175.35 174.88 3hg3 s PHE 169 N 1.91 3.51 0.58 4.03 5.36 0.43 -1.37 117.98 132.44 3hg3 s PHE 169 Ca 0.18 -2.47 -0.06 0.00 -0.96 0.00 0.00 56.93 53.62 3hg3 s PHE 169 Cb -0.15 -2.60 -0.00 0.00 -0.34 0.00 0.00 43.02 39.92 3hg3 s PHE 169 CO 0.09 -0.91 0.90 0.00 -1.46 0.00 0.00 175.22 173.84 3hg3 s ALA 170 N 1.08 3.28 -1.01 11.12 0.00 0.17 -2.53 121.76 133.86 3hg3 s ALA 170 Ca 0.02 -0.61 0.14 0.00 0.00 0.00 0.00 51.96 51.51 3hg3 s ALA 170 Cb -0.20 -2.65 0.42 0.00 0.00 0.00 0.00 23.12 20.69 3hg3 s ALA 170 CO -0.05 -0.74 1.35 0.41 0.00 0.00 0.00 175.76 176.73 3hg3 n GLY 171 N -2.57 2.88 3.77 0.00 0.00 -1.26 -0.85 105.19 107.16 3hg3 n GLY 171 Ca 0.04 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3hg3 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg3 n TYR 173 N -1.93 -2.29 -3.93 0.00 4.01 -1.26 -3.51 117.16 108.25 3hg3 n TYR 173 Ca 0.11 0.91 -0.35 0.00 -0.16 0.00 0.00 57.90 58.41 3hg3 n TYR 173 Cb 0.52 -4.48 -0.14 0.00 -0.31 0.00 0.00 39.34 34.93 3hg3 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg3 h ASP 175 N 8.05 0.00 -5.18 0.00 2.03 -1.95 -3.46 116.42 115.92 3hg3 h ASP 175 Ca -0.34 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.84 3hg3 h ASP 175 Cb 1.12 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.46 3hg3 h ASP 175 CO 0.58 0.18 -0.62 -0.94 -1.03 0.00 0.00 179.24 177.42 3hg3 s SER 176 N -6.11 0.37 0.33 4.15 1.04 -1.26 -5.04 113.70 107.18 3hg3 s SER 176 Ca 0.01 -0.83 0.13 0.00 0.48 0.00 0.00 55.95 55.74 3hg3 s SER 176 Cb 0.09 0.21 0.57 0.00 0.10 0.00 0.00 66.02 66.99 3hg3 s SER 176 CO 0.63 -0.57 1.72 -0.07 0.98 0.00 0.00 173.24 175.92 3hg3 h LEU 177 N 3.33 0.00 -0.19 2.42 3.38 -1.97 -1.64 115.31 120.64 3hg3 h LEU 177 Ca -0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3hg3 h LEU 177 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3hg3 h LEU 177 CO 0.60 0.48 -0.00 -0.33 0.09 0.00 0.00 178.44 179.27 3hg3 h GLU 178 N 0.00 0.34 -0.21 1.13 3.07 -1.99 -1.60 114.58 115.32 3hg3 h GLU 178 Ca -0.00 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 3hg3 h GLU 178 Cb 0.89 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 3hg3 h GLU 178 CO 0.06 0.55 -0.13 -0.91 -1.40 0.00 0.00 179.01 177.18 3hg3 h ASN 179 N 0.09 0.32 0.87 1.42 -0.26 -1.95 -0.78 115.58 115.29 3hg3 h ASN 179 Ca 0.05 -0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3hg3 h ASN 179 Cb 0.40 -0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.58 3hg3 h ASN 179 CO 0.01 0.48 -0.42 0.25 -1.06 0.00 0.00 177.43 176.70 3hg3 h LEU 180 N 0.31 -0.98 -0.04 1.61 5.85 -1.17 -0.29 115.31 120.59 3hg3 h LEU 180 Ca 0.06 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3hg3 h LEU 180 Cb 0.43 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3hg3 h LEU 180 CO 0.03 -0.63 -0.04 0.00 -0.34 0.00 0.00 178.44 177.46 3hg3 h ALA 181 N -1.32 0.00 -0.85 1.25 0.00 -1.26 -2.08 119.26 115.01 3hg3 h ALA 181 Ca -0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hg3 h ALA 181 Cb 0.89 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3hg3 h ALA 181 CO 0.20 -0.52 0.49 -0.44 0.00 0.00 0.00 179.25 178.98 3hg3 h ASP 182 N -0.05 1.03 -0.34 0.00 3.32 -1.22 -1.92 116.42 117.24 3hg3 h ASP 182 Ca 0.03 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3hg3 h ASP 182 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3hg3 h ASP 182 CO -0.07 0.81 0.10 1.23 -1.72 0.00 0.00 179.24 179.59 3hg3 h GLY 183 N 1.19 0.58 1.18 2.75 0.00 -0.80 0.15 103.07 108.11 3hg3 h GLY 183 Ca 0.30 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 3hg3 h GLY 183 CO -0.05 0.32 0.16 -0.97 0.00 0.00 0.00 176.54 176.00 3hg3 h TYR 184 N 0.40 1.07 -0.25 5.60 0.05 -1.21 -1.64 116.97 120.99 3hg3 h TYR 184 Ca 0.11 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3hg3 h TYR 184 Cb 0.26 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3hg3 h TYR 184 CO 0.01 0.87 -0.01 0.87 -1.05 0.00 0.00 178.16 178.85 3hg3 h LYS 185 N 0.98 0.45 -0.03 4.88 1.57 -1.17 -2.20 116.57 121.05 3hg3 h LYS 185 Ca 0.21 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3hg3 h LYS 185 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hg3 h LYS 185 CO 0.00 0.63 -0.02 1.25 -0.57 0.00 0.00 179.45 180.74 3hg3 h HIS 186 N 0.22 -0.06 -0.65 -1.35 2.76 -0.57 -1.89 115.15 113.62 3hg3 h HIS 186 Ca 0.07 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3hg3 h HIS 186 Cb 0.44 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3hg3 h HIS 186 CO 0.04 -0.04 0.23 1.98 -1.30 0.00 0.00 177.93 178.84 3hg3 h MET 187 N -0.03 0.96 -0.05 5.26 1.85 -1.34 0.16 114.93 121.74 3hg3 h MET 187 Ca 0.02 -0.17 0.02 0.00 -0.61 0.00 0.00 59.70 58.96 3hg3 h MET 187 Cb 0.06 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 3hg3 h MET 187 CO -0.05 0.81 -0.10 1.03 -0.40 0.00 0.00 176.91 178.20 3hg3 h SER 188 N 0.94 -0.31 -0.30 1.39 0.87 -1.11 -0.61 113.55 114.41 3hg3 h SER 188 Ca 0.22 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 3hg3 h SER 188 Cb 0.22 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3hg3 h SER 188 CO -0.01 -0.15 -0.13 -0.07 -0.53 0.00 0.00 176.83 175.94 3hg3 h LEU 189 N -0.16 0.73 -0.64 2.23 3.38 -1.02 -2.24 115.31 117.60 3hg3 h LEU 189 Ca 0.05 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3hg3 h LEU 189 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hg3 h LEU 189 CO -0.14 0.88 0.19 0.00 0.09 0.00 0.00 178.44 179.47 3hg3 h ALA 190 N 1.18 0.84 -0.37 1.53 0.00 -0.45 -0.65 119.26 121.35 3hg3 h ALA 190 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hg3 h ALA 190 Cb 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hg3 h ALA 190 CO 0.04 0.52 0.10 -0.07 0.00 0.00 0.00 179.25 179.84 3hg3 h LEU 191 N 0.93 0.56 -0.58 0.00 3.38 -1.03 -3.01 115.31 115.57 3hg3 h LEU 191 Ca 0.21 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3hg3 h LEU 191 Cb 0.31 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3hg3 h LEU 191 CO -0.00 0.64 0.23 -1.13 0.09 0.00 0.00 178.44 178.27 3hg3 h ASN 192 N 0.45 0.25 0.12 -0.43 -0.73 -1.18 -2.50 115.58 111.57 3hg3 h ASN 192 Ca 0.12 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 3hg3 h ASN 192 Cb 0.29 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 3hg3 h ASN 192 CO 0.00 0.16 -0.04 0.03 -0.37 0.00 0.00 177.43 177.21 3hg3 h ARG 193 N 0.42 0.00 0.00 6.67 3.08 -0.99 -1.95 114.38 121.61 3hg3 h ARG 193 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 3hg3 h ARG 193 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3hg3 h ARG 193 CO -0.27 0.04 -0.11 1.79 -1.07 0.00 0.00 179.97 180.35 3hg3 h THR 194 N 0.00 0.40 0.00 2.04 1.35 -1.35 -3.46 112.91 111.89 3hg3 h THR 194 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3hg3 h THR 194 Cb 0.11 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3hg3 h THR 194 CO 0.01 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 3hg3 n GLY 195 N -0.41 1.97 3.78 5.82 0.00 -0.73 -5.03 105.19 110.58 3hg3 n GLY 195 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3hg3 n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hg3 s ARG 196 N -0.27 4.24 -0.31 1.61 3.52 -1.26 -5.03 118.95 121.45 3hg3 s ARG 196 Ca 0.00 0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 55.97 3hg3 s ARG 196 Cb 0.00 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3hg3 s ARG 196 CO 0.00 0.44 1.72 -1.12 -0.81 0.00 0.00 175.30 175.53 3hg3 s SER 197 N -0.39 6.05 -0.10 -2.12 0.01 -1.26 -4.78 113.70 111.11 3hg3 s SER 197 Ca 0.29 1.33 -0.01 0.00 1.31 0.00 0.00 55.95 58.87 3hg3 s SER 197 Cb -0.18 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.55 3hg3 s SER 197 CO 0.16 -1.57 -0.05 -0.63 0.41 0.00 0.00 173.24 171.56 3hg3 s ILE 198 N 6.33 0.80 0.14 1.44 1.01 -1.26 -4.72 121.20 124.94 3hg3 s ILE 198 Ca 0.76 -0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.92 3hg3 s ILE 198 Cb -0.22 -0.89 -0.10 0.00 0.01 0.00 0.00 42.46 41.26 3hg3 s ILE 198 CO 0.33 0.30 1.64 -0.69 0.00 0.00 0.00 174.94 176.52 3hg3 s VAL 199 N 1.80 2.66 -0.31 2.92 1.01 -0.17 -4.84 120.40 123.45 3hg3 s VAL 199 Ca 0.05 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 3hg3 s VAL 199 Cb -0.13 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.04 3hg3 s VAL 199 CO -0.07 0.02 0.08 -0.47 0.00 0.00 0.00 175.10 174.65 3hg3 s TYR 200 N 1.72 3.20 -0.21 5.22 5.04 -1.26 -0.34 117.35 130.71 3hg3 s TYR 200 Ca 0.73 -1.26 -0.05 0.00 -2.44 0.00 0.00 57.07 54.06 3hg3 s TYR 200 Cb -0.44 -2.25 -0.02 0.00 0.35 0.00 0.00 41.96 39.61 3hg3 s TYR 200 CO 0.32 -0.67 -0.01 0.45 -1.34 0.00 0.00 175.55 174.30 3hg3 s SER 201 N 1.43 4.64 0.07 4.32 0.15 0.34 -0.63 113.70 124.02 3hg3 s SER 201 Ca 0.00 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 56.46 3hg3 s SER 201 Cb -0.18 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 3hg3 s SER 201 CO 0.02 0.03 -0.21 0.00 1.20 0.00 0.00 173.24 174.28 3hg3 n GLU 203 N 1.34 3.51 0.09 0.00 1.02 -1.05 0.03 120.64 125.57 3hg3 n GLU 203 Ca -0.16 -2.96 -0.16 0.00 -0.02 0.00 0.00 57.16 53.86 3hg3 n GLU 203 Cb 0.52 -1.98 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 3hg3 n GLU 203 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3hg3 h TRP 204 N 2.45 -1.52 -0.50 -0.32 2.91 -1.84 -2.42 115.95 114.70 3hg3 h TRP 204 Ca 0.01 0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.04 3hg3 h TRP 204 Cb 1.64 0.65 -0.02 0.00 -0.51 0.00 0.00 29.16 30.92 3hg3 h TRP 204 CO 0.71 -0.58 0.15 -1.00 -1.03 0.00 0.00 178.44 176.69 3hg3 h PRO 205 N -0.71 0.74 -0.49 2.65 0.13 -1.87 -1.51 132.00 130.94 3hg3 h PRO 205 Ca 0.00 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 65.05 3hg3 h PRO 205 Cb 0.73 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 3hg3 h PRO 205 CO -0.31 0.65 0.22 1.25 -0.23 0.00 0.00 178.00 179.58 3hg3 h LEU 206 N 0.72 0.29 0.00 1.56 5.85 -1.19 0.16 115.31 122.71 3hg3 h LEU 206 Ca 0.17 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3hg3 h LEU 206 Cb 0.23 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3hg3 h LEU 206 CO -0.01 0.21 -0.14 -1.22 -0.34 0.00 0.00 178.44 176.93 3hg3 n TYR 207 N -4.93 0.04 0.07 1.25 4.01 -0.93 -3.27 117.16 113.39 3hg3 n TYR 207 Ca 0.04 0.01 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 3hg3 n TYR 207 Cb 0.15 -0.45 -0.14 0.00 -0.31 0.00 0.00 39.34 38.59 3hg3 n TYR 207 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3hg3 h MET 208 N 0.00 0.27 -0.59 -0.72 4.05 -0.57 -3.40 114.93 113.97 3hg3 h MET 208 Ca 0.00 -0.46 0.12 0.00 -0.28 0.00 0.00 59.70 59.08 3hg3 h MET 208 Cb 0.51 0.17 -0.10 0.00 -0.80 0.00 0.00 31.60 31.38 3hg3 h MET 208 CO 0.00 1.14 -0.01 -1.49 0.23 0.00 0.00 176.91 176.78 3hg3 h TRP 209 N 0.07 -0.06 0.00 1.39 4.06 -0.97 -1.66 115.95 118.78 3hg3 h TRP 209 Ca -0.24 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.75 3hg3 h TRP 209 Cb 2.02 0.12 0.00 0.00 -1.00 0.00 0.00 29.16 30.30 3hg3 h TRP 209 CO 0.07 -0.16 0.00 -2.30 -3.56 0.00 0.00 178.44 172.49 3hg3 n PRO 210 N -5.28 0.01 0.00 0.49 -0.02 -1.26 -3.41 135.00 125.52 3hg3 n PRO 210 Ca 0.08 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3hg3 n PRO 210 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3hg3 n PRO 210 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hg3 n PHE 211 N -1.22 0.00 -3.60 6.00 7.35 -0.69 -5.13 117.46 120.18 3hg3 n PHE 211 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 3hg3 n PHE 211 Cb 0.00 0.05 -0.05 0.00 0.35 0.00 0.00 39.48 39.83 3hg3 n PHE 211 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 3hg3 s GLN 212 N -1.99 1.07 0.18 -4.13 -2.07 -0.83 -5.13 119.66 106.75 3hg3 s GLN 212 Ca 0.00 -0.56 -0.32 0.00 -1.82 0.00 0.00 55.36 52.66 3hg3 s GLN 212 Cb 0.00 0.48 -0.11 0.00 -1.09 0.00 0.00 33.01 32.29 3hg3 s GLN 212 CO 0.00 -0.42 1.76 -1.59 -1.32 0.00 0.00 175.29 173.72 3hg3 s LYS 213 N -3.43 4.13 0.68 9.60 -2.85 -1.26 -3.81 119.74 122.79 3hg3 s LYS 213 Ca 0.00 2.60 -0.15 0.00 -1.00 0.00 0.00 55.97 57.42 3hg3 s LYS 213 Cb 0.01 -3.27 0.01 0.00 -2.06 0.00 0.00 37.83 32.52 3hg3 s LYS 213 CO -0.09 -0.78 1.13 -2.14 0.10 0.00 0.00 175.35 173.56 3hg3 s PRO 214 N 1.76 2.66 -0.66 1.78 0.02 -1.26 -4.99 135.00 134.31 3hg3 s PRO 214 Ca 0.77 1.45 -0.19 0.00 0.02 0.00 0.00 61.00 63.05 3hg3 s PRO 214 Cb -0.48 -1.93 0.11 0.00 0.02 0.00 0.00 34.50 32.22 3hg3 s PRO 214 CO 0.34 -1.37 0.79 1.21 -0.33 0.00 0.00 177.00 177.64 3hg3 s ASN 215 N -2.50 6.28 0.42 2.53 3.84 -1.26 -4.93 114.94 119.32 3hg3 s ASN 215 Ca 0.68 -1.54 0.21 0.00 0.21 0.00 0.00 52.86 52.42 3hg3 s ASN 215 Cb -0.22 -2.32 0.92 0.00 -0.55 0.00 0.00 41.25 39.08 3hg3 s ASN 215 CO 0.42 -1.11 1.85 1.88 -2.79 0.00 0.00 177.10 177.35 3hg3 h TYR 216 N 9.09 0.00 -0.49 0.43 0.05 -1.94 -1.47 116.97 122.64 3hg3 h TYR 216 Ca -0.21 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 3hg3 h TYR 216 Cb 1.07 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 3hg3 h TYR 216 CO 0.91 0.28 0.27 1.15 -1.05 0.00 0.00 178.16 179.72 3hg3 h THR 217 N 0.00 1.17 -0.20 -2.88 2.02 -1.98 -0.13 112.91 110.91 3hg3 h THR 217 Ca -0.00 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3hg3 h THR 217 Cb 0.70 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3hg3 h THR 217 CO 0.04 0.18 -0.08 -0.08 0.37 0.00 0.00 175.52 175.95 3hg3 h GLU 218 N 0.66 0.41 -0.63 6.66 4.81 -1.85 -2.67 114.58 121.96 3hg3 h GLU 218 Ca 0.17 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3hg3 h GLU 218 Cb 0.05 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3hg3 h GLU 218 CO -0.03 0.69 0.39 0.82 -0.73 0.00 0.00 179.01 180.15 3hg3 h ILE 219 N 0.12 1.07 -0.72 2.32 2.04 -1.19 -2.05 117.51 119.11 3hg3 h ILE 219 Ca 0.05 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.65 3hg3 h ILE 219 Cb 0.56 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3hg3 h ILE 219 CO 0.03 0.14 0.47 -0.09 0.00 0.00 0.00 178.15 178.69 3hg3 h ARG 220 N 0.76 0.95 -0.20 2.37 2.43 -1.02 -0.36 114.38 119.30 3hg3 h ARG 220 Ca 0.26 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3hg3 h ARG 220 Cb 0.03 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3hg3 h ARG 220 CO -0.11 0.63 0.10 1.96 -1.51 0.00 0.00 179.97 181.04 3hg3 h GLN 221 N 0.97 0.28 0.00 0.20 4.20 -1.01 0.37 115.11 120.12 3hg3 h GLN 221 Ca 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3hg3 h GLN 221 Cb -0.10 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3hg3 h GLN 221 CO -0.06 0.22 -1.38 0.66 -0.67 0.00 0.00 178.83 177.60 3hg3 n TYR 222 N -4.47 0.00 -4.61 2.96 4.01 -0.87 -4.40 117.16 109.79 3hg3 n TYR 222 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 3hg3 n TYR 222 Cb 0.10 -0.24 -0.14 0.00 -0.31 0.00 0.00 39.34 38.75 3hg3 n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hg3 h ASN 224 N 5.19 0.56 -5.11 0.00 -0.26 -1.04 -2.18 115.58 112.75 3hg3 h ASN 224 Ca -0.39 -0.51 -0.06 0.00 -0.56 0.00 0.00 56.30 54.78 3hg3 h ASN 224 Cb 1.16 -0.18 -0.13 0.00 -1.06 0.00 0.00 38.32 38.12 3hg3 h ASN 224 CO 0.45 1.34 -0.15 -1.38 -1.06 0.00 0.00 177.43 176.63 3hg3 s HIS 225 N -3.02 -0.08 -0.04 1.19 -3.43 -1.08 -1.24 115.29 107.59 3hg3 s HIS 225 Ca -0.06 -0.27 -0.01 0.00 -0.80 0.00 0.00 55.06 53.91 3hg3 s HIS 225 Cb 0.08 0.17 0.03 0.00 -1.43 0.00 0.00 32.58 31.42 3hg3 s HIS 225 CO 0.88 -0.68 0.08 1.67 -2.00 0.00 0.00 174.74 174.69 3hg3 s TRP 226 N -3.83 -0.06 -0.05 0.38 -2.14 -0.82 -0.53 118.94 111.89 3hg3 s TRP 226 Ca 0.05 0.26 -0.30 0.00 2.66 0.00 0.00 56.10 58.76 3hg3 s TRP 226 Cb 0.02 -0.12 -0.03 0.00 -3.10 0.00 0.00 33.47 30.25 3hg3 s TRP 226 CO -0.11 -0.10 1.09 1.03 -2.66 0.00 0.00 176.95 176.20 3hg3 s ARG 227 N 0.85 4.42 -0.15 3.25 1.81 0.10 -0.51 118.95 128.72 3hg3 s ARG 227 Ca -0.07 1.53 0.16 0.00 -1.72 0.00 0.00 55.73 55.63 3hg3 s ARG 227 Cb -0.09 -3.51 -0.24 0.00 -0.45 0.00 0.00 34.95 30.65 3hg3 s ARG 227 CO -0.03 -0.31 0.25 0.09 -0.68 0.00 0.00 175.30 174.61 3hg3 n ASN 228 N 4.79 0.36 -4.24 0.23 5.03 -1.22 -2.02 115.26 118.19 3hg3 n ASN 228 Ca 0.09 0.13 -0.16 0.00 0.87 0.00 0.00 54.58 55.51 3hg3 n ASN 228 Cb 0.48 0.60 -0.10 0.00 -1.02 0.00 0.00 39.78 39.74 3hg3 n ASN 228 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3hg3 s PHE 229 N -2.52 1.45 0.65 3.10 5.36 -1.26 -4.07 117.98 120.68 3hg3 s PHE 229 Ca -0.09 -1.26 -0.17 0.00 -0.96 0.00 0.00 56.93 54.44 3hg3 s PHE 229 Cb 0.07 -0.81 -0.04 0.00 -0.34 0.00 0.00 43.02 41.90 3hg3 s PHE 229 CO 0.82 -0.44 0.86 0.00 -1.46 0.00 0.00 175.22 175.00 3hg3 n ALA 230 N -0.43 -0.28 -1.56 11.12 0.00 -1.26 -4.88 120.51 123.23 3hg3 n ALA 230 Ca 0.01 -0.08 -0.45 0.00 0.00 0.00 0.00 53.44 52.92 3hg3 n ALA 230 Cb 0.66 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 3hg3 n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hg3 n ASP 231 N -0.82 0.83 -4.81 0.00 8.00 -1.26 -4.97 116.55 113.51 3hg3 n ASP 231 Ca 0.13 1.17 -0.32 0.00 0.71 0.00 0.00 54.79 56.47 3hg3 n ASP 231 Cb 0.48 -1.23 0.01 0.00 -0.02 0.00 0.00 41.12 40.37 3hg3 n ASP 231 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hg3 s ILE 232 N -1.06 3.90 0.02 0.53 2.07 -1.26 -5.04 121.20 120.36 3hg3 s ILE 232 Ca 0.60 0.87 0.00 0.00 -1.41 0.00 0.00 60.65 60.70 3hg3 s ILE 232 Cb -0.74 -3.41 -0.00 0.00 0.13 0.00 0.00 42.46 38.44 3hg3 s ILE 232 CO 0.59 -0.56 0.01 -0.90 -1.91 0.00 0.00 174.94 172.17 3hg3 n ASP 233 N -2.12 0.26 -3.55 4.50 5.68 -1.26 -5.00 116.55 115.05 3hg3 n ASP 233 Ca 0.08 -1.12 -0.41 0.00 -0.50 0.00 0.00 54.79 52.84 3hg3 n ASP 233 Cb 0.53 0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.59 3hg3 n ASP 233 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hg3 n ASP 234 N -2.66 7.12 -3.65 -1.12 -0.08 -1.26 -4.83 116.55 110.07 3hg3 n ASP 234 Ca 0.00 -2.97 -0.15 0.00 -1.51 0.00 0.00 54.79 50.16 3hg3 n ASP 234 Cb 0.03 -1.47 -0.08 0.00 2.34 0.00 0.00 41.12 41.95 3hg3 n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3hg3 s SER 235 N 1.21 -0.44 0.26 1.67 1.04 -1.26 -3.97 113.70 112.20 3hg3 s SER 235 Ca 0.54 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 57.45 3hg3 s SER 235 Cb 0.16 0.51 0.34 0.00 0.10 0.00 0.00 66.02 67.14 3hg3 s SER 235 CO -0.06 -0.48 1.75 -0.25 0.98 0.00 0.00 173.24 175.17 3hg3 h TRP 236 N 3.69 0.79 -0.55 5.02 -0.00 -1.89 -2.96 115.95 120.04 3hg3 h TRP 236 Ca -0.28 -0.12 0.11 0.00 -0.00 0.00 0.00 58.89 58.60 3hg3 h TRP 236 Cb 1.16 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.16 30.02 3hg3 h TRP 236 CO 0.45 0.77 -0.01 -0.22 -0.00 0.00 0.00 178.44 179.43 3hg3 h LYS 237 N 0.67 0.11 -0.47 2.65 1.63 -1.95 -0.94 116.57 118.26 3hg3 h LYS 237 Ca 0.12 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 3hg3 h LYS 237 Cb 0.50 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3hg3 h LYS 237 CO 0.03 0.07 -0.18 0.66 -3.45 0.00 0.00 179.45 176.58 3hg3 h SER 238 N 0.11 0.95 0.01 4.20 4.64 -1.86 -1.56 113.55 120.04 3hg3 h SER 238 Ca 0.28 -0.34 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3hg3 h SER 238 Cb 0.44 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3hg3 h SER 238 CO -0.47 1.11 -0.04 0.40 -0.87 0.00 0.00 176.83 176.96 3hg3 h ILE 239 N 0.82 0.91 -0.60 0.95 2.04 -1.33 -1.26 117.51 119.03 3hg3 h ILE 239 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 3hg3 h ILE 239 Cb 0.74 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3hg3 h ILE 239 CO 0.06 0.00 0.29 0.11 0.00 0.00 0.00 178.15 178.60 3hg3 h LYS 240 N -0.07 0.51 -0.71 2.37 1.57 -1.08 -1.11 116.57 118.04 3hg3 h LYS 240 Ca 0.01 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3hg3 h LYS 240 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3hg3 h LYS 240 CO -0.03 0.34 0.28 0.77 -0.57 0.00 0.00 179.45 180.23 3hg3 h SER 241 N 0.53 0.99 -0.28 0.86 0.02 -1.03 0.79 113.55 115.43 3hg3 h SER 241 Ca 0.29 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3hg3 h SER 241 Cb 0.26 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hg3 h SER 241 CO -0.23 0.90 0.05 0.40 -1.14 0.00 0.00 176.83 176.82 3hg3 h ILE 242 N 1.03 1.23 -0.30 3.27 2.04 -0.88 -0.48 117.51 123.41 3hg3 h ILE 242 Ca 0.24 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3hg3 h ILE 242 Cb 0.22 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3hg3 h ILE 242 CO -0.02 0.25 0.16 -0.07 0.00 0.00 0.00 178.15 178.47 3hg3 h LEU 243 N 0.28 0.39 -0.80 1.44 3.38 -1.00 -0.96 115.31 118.03 3hg3 h LEU 243 Ca 0.09 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3hg3 h LEU 243 Cb 0.32 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3hg3 h LEU 243 CO 0.00 0.37 -0.01 0.44 0.09 0.00 0.00 178.44 179.33 3hg3 h ASP 244 N 0.37 0.87 -0.42 -0.43 3.32 -0.79 0.52 116.42 119.85 3hg3 h ASP 244 Ca 0.11 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3hg3 h ASP 244 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3hg3 h ASP 244 CO -0.02 0.94 -0.04 -0.25 -1.72 0.00 0.00 179.24 178.15 3hg3 h TRP 245 N 0.82 0.85 -0.00 4.55 7.01 -0.98 -1.40 115.95 126.81 3hg3 h TRP 245 Ca 0.15 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3hg3 h TRP 245 Cb 0.51 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.35 3hg3 h TRP 245 CO 0.03 0.86 0.00 1.15 -2.79 0.00 0.00 178.44 177.69 3hg3 h THR 246 N 0.60 1.15 -0.61 2.65 2.02 -0.84 -1.66 112.91 116.23 3hg3 h THR 246 Ca 0.12 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3hg3 h THR 246 Cb 0.54 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3hg3 h THR 246 CO 0.03 0.12 0.15 0.77 0.37 0.00 0.00 175.52 176.95 3hg3 h SER 247 N -0.19 0.89 -0.83 4.18 4.64 -0.93 -0.03 113.55 121.28 3hg3 h SER 247 Ca 0.00 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 3hg3 h SER 247 Cb 0.19 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 3hg3 h SER 247 CO -0.00 0.86 0.39 0.15 -0.87 0.00 0.00 176.83 177.36 3hg3 h PHE 248 N 0.90 1.20 -0.65 4.77 3.57 -1.19 -3.08 116.94 122.47 3hg3 h PHE 248 Ca 0.19 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hg3 h PHE 248 Cb 0.32 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3hg3 h PHE 248 CO 0.02 0.87 0.00 0.09 -2.23 0.00 0.00 178.31 177.06 3hg3 n ASN 249 N -4.32 4.90 0.11 0.41 3.02 -0.63 -4.68 115.26 114.07 3hg3 n ASN 249 Ca 0.08 -2.50 0.03 0.00 -0.03 0.00 0.00 54.58 52.16 3hg3 n ASN 249 Cb 0.14 -0.60 0.42 0.00 -0.61 0.00 0.00 39.78 39.13 3hg3 n ASN 249 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3hg3 h GLN 250 N 4.11 0.26 -0.32 3.52 3.07 -0.92 -1.57 115.11 123.27 3hg3 h GLN 250 Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 3hg3 h GLN 250 Cb 1.52 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 29.02 3hg3 h GLN 250 CO 0.27 0.34 0.19 0.93 0.09 0.00 0.00 178.83 180.65 3hg3 h GLU 251 N 0.26 0.42 0.03 0.06 4.39 -1.85 -0.92 114.58 116.97 3hg3 h GLU 251 Ca 0.06 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.48 3hg3 h GLU 251 Cb 0.28 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3hg3 h GLU 251 CO 0.01 0.30 -1.02 0.00 -1.16 0.00 0.00 179.01 177.14 3hg3 h ARG 252 N 0.43 0.43 0.00 2.33 3.08 -1.66 -3.42 114.38 115.57 3hg3 h ARG 252 Ca 0.11 -0.51 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 3hg3 h ARG 252 Cb -0.01 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hg3 h ARG 252 CO -0.02 1.16 -1.31 0.44 -1.07 0.00 0.00 179.97 179.17 3hg3 n ILE 253 N -3.73 0.15 0.00 2.04 -5.35 -1.04 -4.67 119.36 106.76 3hg3 n ILE 253 Ca -0.08 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 3hg3 n ILE 253 Cb 0.88 -0.11 -0.07 0.00 -1.74 0.00 0.00 39.64 38.60 3hg3 n ILE 253 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3hg3 h VAL 254 N 0.00 1.15 0.00 7.28 2.07 -1.43 -3.07 116.25 122.25 3hg3 h VAL 254 Ca -0.06 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3hg3 h VAL 254 Cb 0.69 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3hg3 h VAL 254 CO 0.00 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.19 3hg3 n ASP 255 N -4.96 0.68 0.13 0.57 8.00 -1.26 -2.63 116.55 117.08 3hg3 n ASP 255 Ca -0.07 0.62 -0.01 0.00 0.71 0.00 0.00 54.79 56.04 3hg3 n ASP 255 Cb 0.12 -0.78 0.13 0.00 -0.02 0.00 0.00 41.12 40.57 3hg3 n ASP 255 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hg3 h VAL 256 N 0.00 1.36 -4.05 2.53 2.07 -1.81 -3.45 116.25 112.90 3hg3 h VAL 256 Ca 0.00 -2.30 -0.50 0.00 0.82 0.00 0.00 66.70 64.72 3hg3 h VAL 256 Cb 0.51 2.28 0.06 0.00 -1.52 0.00 0.00 31.29 32.61 3hg3 h VAL 256 CO 0.00 0.64 0.44 0.00 0.02 0.00 0.00 177.57 178.66 3hg3 s ALA 257 N -3.37 2.84 0.00 1.67 0.00 -1.08 -4.91 121.76 116.90 3hg3 s ALA 257 Ca -0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3hg3 s ALA 257 Cb 0.11 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3hg3 s ALA 257 CO 0.76 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3hg3 n GLY 258 N 0.19 -0.23 3.68 0.00 0.00 -0.05 -4.62 105.19 104.17 3hg3 n GLY 258 Ca 0.09 -1.11 -0.56 0.00 0.00 0.00 0.00 46.02 44.45 3hg3 n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg3 n PRO 259 N -0.54 1.24 0.00 1.61 -0.02 -1.26 -0.71 135.00 135.32 3hg3 n PRO 259 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3hg3 n PRO 259 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3hg3 n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hg3 n GLY 260 N 3.84 2.72 3.38 -1.23 0.00 0.27 -4.90 105.19 109.26 3hg3 n GLY 260 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 3hg3 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hg3 s GLY 261 N -2.74 -0.76 0.07 -0.02 0.00 0.11 -1.60 107.32 102.38 3hg3 s GLY 261 Ca 0.00 1.97 0.08 0.00 0.00 0.00 0.00 44.72 46.78 3hg3 s GLY 261 CO 0.00 3.07 -0.22 -0.98 0.00 0.00 0.00 173.10 174.97 3hg3 s TRP 262 N 2.83 1.93 0.20 1.90 0.52 -0.38 -0.87 118.94 125.07 3hg3 s TRP 262 Ca 0.05 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.48 3hg3 s TRP 262 Cb -0.13 -1.11 -0.09 0.00 -1.15 0.00 0.00 33.47 30.99 3hg3 s TRP 262 CO -0.19 0.16 1.31 -0.80 0.02 0.00 0.00 176.95 177.45 3hg3 s ASN 263 N -1.50 6.90 -0.34 2.95 0.01 -1.26 -1.94 114.94 119.76 3hg3 s ASN 263 Ca 0.08 2.39 -0.02 0.00 -0.71 0.00 0.00 52.86 54.61 3hg3 s ASN 263 Cb -0.09 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 39.03 3hg3 s ASN 263 CO 0.03 -0.53 0.07 -0.62 -1.51 0.00 0.00 177.10 174.55 3hg3 s ASP 264 N 0.36 5.02 -0.03 -1.22 2.15 0.33 -4.34 116.67 118.94 3hg3 s ASP 264 Ca 0.57 -1.57 0.09 0.00 0.43 0.00 0.00 52.55 52.06 3hg3 s ASP 264 Cb -0.36 -1.75 0.31 0.00 -0.30 0.00 0.00 42.92 40.82 3hg3 s ASP 264 CO 0.38 -0.36 1.20 -0.81 -0.17 0.00 0.00 175.17 175.40 3hg3 n PRO 265 N 4.60 2.03 0.00 4.34 -0.04 -1.26 -3.41 135.00 141.25 3hg3 n PRO 265 Ca -0.08 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 3hg3 n PRO 265 Cb 0.43 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3hg3 n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hg3 n ASP 266 N 0.43 0.00 -4.76 3.54 2.03 -1.26 -4.79 116.55 111.74 3hg3 n ASP 266 Ca 0.11 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.07 3hg3 n ASP 266 Cb 0.38 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.81 3hg3 n ASP 266 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3hg3 s MET 267 N -0.76 3.11 0.08 -0.67 -1.94 -1.26 -4.81 119.30 113.04 3hg3 s MET 267 Ca 0.00 1.75 -0.31 0.00 -1.71 0.00 0.00 55.69 55.43 3hg3 s MET 267 Cb 0.00 -1.96 -0.06 0.00 2.01 0.00 0.00 34.83 34.82 3hg3 s MET 267 CO 0.00 -1.08 1.23 -0.51 -0.01 0.00 0.00 175.02 174.65 3hg3 s LEU 268 N -3.98 4.38 -0.06 -0.03 1.43 0.14 -4.93 118.68 115.64 3hg3 s LEU 268 Ca 0.76 2.09 0.09 0.00 -1.03 0.00 0.00 54.13 56.04 3hg3 s LEU 268 Cb -0.28 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.57 3hg3 s LEU 268 CO 0.31 -0.49 1.15 1.33 0.23 0.00 0.00 176.35 178.89 3hg3 n VAL 269 N 3.77 1.40 -1.74 -1.59 0.24 -1.26 -1.17 118.33 117.98 3hg3 n VAL 269 Ca 0.09 -1.43 -0.42 0.00 -2.04 0.00 0.00 64.34 60.54 3hg3 n VAL 269 Cb 0.46 0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 33.03 3hg3 n VAL 269 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3hg3 n ILE 270 N -0.50 1.41 -0.26 1.34 5.41 -1.26 -3.18 119.36 122.32 3hg3 n ILE 270 Ca 0.09 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.49 3hg3 n ILE 270 Cb 0.48 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 3hg3 n ILE 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hg3 n GLY 271 N 1.51 0.77 0.00 7.39 0.00 -1.26 -4.83 105.19 108.77 3hg3 n GLY 271 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hg3 n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hg3 n ASN 272 N 0.00 0.00 0.00 1.61 3.02 -1.19 -4.79 115.26 113.91 3hg3 n ASN 272 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hg3 n ASN 272 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3hg3 n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hg3 n PHE 273 N 0.00 0.00 0.68 3.10 3.72 -1.26 -4.83 117.46 118.86 3hg3 n PHE 273 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3hg3 n PHE 273 Cb 0.00 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.61 3hg3 n PHE 273 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg3 n GLY 274 N 2.50 0.18 3.36 1.37 0.00 -1.26 -4.95 105.19 106.39 3hg3 n GLY 274 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3hg3 n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg3 s LEU 275 N -1.36 2.55 0.93 0.99 1.43 -1.26 -4.28 118.68 117.67 3hg3 s LEU 275 Ca 0.19 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3hg3 s LEU 275 Cb 0.13 -1.54 0.15 0.00 0.03 0.00 0.00 46.19 44.97 3hg3 s LEU 275 CO 0.21 0.21 1.09 -0.94 0.23 0.00 0.00 176.35 177.15 3hg3 s SER 276 N 0.05 3.14 0.21 2.29 1.04 -1.26 -4.82 113.70 114.35 3hg3 s SER 276 Ca -0.06 1.48 -0.09 0.00 0.48 0.00 0.00 55.95 57.75 3hg3 s SER 276 Cb -0.15 -2.15 0.23 0.00 0.10 0.00 0.00 66.02 64.05 3hg3 s SER 276 CO 0.05 -2.85 1.82 -0.25 0.98 0.00 0.00 173.24 172.99 3hg3 h TRP 277 N -1.69 0.72 -0.73 5.02 2.91 -2.00 -1.85 115.95 118.33 3hg3 h TRP 277 Ca -0.51 0.02 0.01 0.00 1.13 0.00 0.00 58.89 59.54 3hg3 h TRP 277 Cb 1.29 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 29.68 3hg3 h TRP 277 CO 0.40 0.36 0.48 -0.91 -1.03 0.00 0.00 178.44 177.73 3hg3 h ASN 278 N 0.72 0.84 0.03 2.65 2.35 -1.91 -1.40 115.58 118.86 3hg3 h ASN 278 Ca 0.30 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.88 3hg3 h ASN 278 Cb 0.15 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hg3 h ASN 278 CO -0.17 0.61 -0.47 1.56 -1.65 0.00 0.00 177.43 177.32 3hg3 h GLN 279 N 0.99 0.52 -0.42 0.81 4.20 -1.51 -1.57 115.11 118.12 3hg3 h GLN 279 Ca 0.27 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3hg3 h GLN 279 Cb -0.11 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3hg3 h GLN 279 CO -0.06 0.88 0.02 1.96 -0.67 0.00 0.00 178.83 180.96 3hg3 h GLN 280 N 0.41 0.74 -0.59 1.46 4.20 -0.87 -1.46 115.11 119.01 3hg3 h GLN 280 Ca 0.02 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.53 3hg3 h GLN 280 Cb 0.98 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 3hg3 h GLN 280 CO 0.09 0.80 0.36 0.28 -0.67 0.00 0.00 178.83 179.70 3hg3 h VAL 281 N 0.58 1.08 -0.50 -0.54 2.07 -1.17 -1.73 116.25 116.04 3hg3 h VAL 281 Ca 0.12 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3hg3 h VAL 281 Cb 0.46 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hg3 h VAL 281 CO 0.02 0.13 0.30 0.74 0.02 0.00 0.00 177.57 178.78 3hg3 h THR 282 N 0.72 1.06 -0.26 2.57 2.02 -1.08 -0.60 112.91 117.35 3hg3 h THR 282 Ca 0.23 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3hg3 h THR 282 Cb 0.00 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3hg3 h THR 282 CO -0.09 0.11 0.13 -0.61 0.37 0.00 0.00 175.52 175.43 3hg3 h GLN 283 N 0.61 0.37 -0.31 6.66 4.15 -0.90 -1.35 115.11 124.34 3hg3 h GLN 283 Ca 0.20 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 3hg3 h GLN 283 Cb 0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3hg3 h GLN 283 CO -0.09 0.35 0.18 1.98 -1.93 0.00 0.00 178.83 179.33 3hg3 h MET 284 N 0.29 0.42 -0.29 1.69 4.05 -1.08 -0.68 114.93 119.33 3hg3 h MET 284 Ca 0.09 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 3hg3 h MET 284 Cb 0.10 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 3hg3 h MET 284 CO -0.01 0.33 0.18 0.00 0.23 0.00 0.00 176.91 177.64 3hg3 h ALA 285 N 1.06 0.36 0.01 0.39 0.00 -1.03 -2.65 119.26 117.41 3hg3 h ALA 285 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3hg3 h ALA 285 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hg3 h ALA 285 CO -0.02 -0.19 -0.91 -0.07 0.00 0.00 0.00 179.25 178.06 3hg3 h LEU 286 N 0.37 0.20 -1.71 0.00 -0.00 -1.08 -1.91 115.31 111.18 3hg3 h LEU 286 Ca 0.11 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 3hg3 h LEU 286 Cb -0.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 3hg3 h LEU 286 CO -0.04 1.01 -0.18 -0.50 -0.00 0.00 0.00 178.44 178.73 3hg3 h TRP 287 N 0.08 0.00 -0.04 1.13 -0.00 -1.10 0.77 115.95 116.79 3hg3 h TRP 287 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.80 3hg3 h TRP 287 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.73 3hg3 h TRP 287 CO 0.02 0.18 -0.18 0.00 -0.00 0.00 0.00 178.44 178.46 3hg3 h ALA 288 N 1.82 0.07 -0.88 1.49 0.00 -1.16 -2.16 119.26 118.45 3hg3 h ALA 288 Ca -0.00 -0.39 0.11 0.00 0.00 0.00 0.00 54.91 54.63 3hg3 h ALA 288 Cb 0.36 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3hg3 h ALA 288 CO 0.02 0.03 0.51 0.82 0.00 0.00 0.00 179.25 180.63 3hg3 h ILE 289 N -0.38 0.87 -0.01 0.00 1.08 -1.07 -2.66 117.51 115.34 3hg3 h ILE 289 Ca -0.01 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3hg3 h ILE 289 Cb 0.83 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3hg3 h ILE 289 CO 0.04 0.15 0.00 0.23 -0.69 0.00 0.00 178.15 177.87 3hg3 n MET 290 N -4.74 1.12 -3.99 2.37 2.81 0.24 -0.97 117.12 113.95 3hg3 n MET 290 Ca 0.16 -0.17 -0.26 0.00 -1.81 0.00 0.00 57.70 55.61 3hg3 n MET 290 Cb 0.33 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 3hg3 n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hg3 n ALA 291 N -0.72 -1.95 -2.01 3.04 0.00 -1.00 -4.66 120.51 113.22 3hg3 n ALA 291 Ca 0.19 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 3hg3 n ALA 291 Cb 0.13 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 3hg3 n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg3 s ALA 292 N -3.93 3.37 0.40 0.00 0.00 -0.82 -4.66 121.76 116.12 3hg3 s ALA 292 Ca 0.06 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.04 3hg3 s ALA 292 Cb -0.03 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.06 3hg3 s ALA 292 CO 0.90 0.29 1.21 -2.30 0.00 0.00 0.00 175.76 175.85 3hg3 n PRO 293 N 0.79 1.81 -3.65 0.00 -0.02 -1.26 -4.80 135.00 127.87 3hg3 n PRO 293 Ca -0.02 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 3hg3 n PRO 293 Cb 0.51 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 3hg3 n PRO 293 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hg3 s LEU 294 N -1.25 5.49 -0.39 2.45 1.43 0.38 -4.90 118.68 121.90 3hg3 s LEU 294 Ca 0.60 -2.89 -0.09 0.00 -1.03 0.00 0.00 54.13 50.73 3hg3 s LEU 294 Cb -0.54 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 43.83 3hg3 s LEU 294 CO 0.58 -0.39 0.21 -0.36 0.23 0.00 0.00 176.35 176.62 3hg3 s PHE 295 N -0.11 3.30 0.36 0.29 0.40 -1.26 -0.76 117.98 120.20 3hg3 s PHE 295 Ca 0.18 -1.39 -0.27 0.00 -0.60 0.00 0.00 56.93 54.85 3hg3 s PHE 295 Cb -0.18 -2.67 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 3hg3 s PHE 295 CO -0.04 -0.77 1.18 -1.64 0.70 0.00 0.00 175.22 174.64 3hg3 s MET 296 N 1.44 4.23 -0.26 0.44 -1.94 -0.22 -0.68 119.30 122.32 3hg3 s MET 296 Ca 0.02 1.89 -0.01 0.00 -1.71 0.00 0.00 55.69 55.88 3hg3 s MET 296 Cb -0.21 -2.85 0.08 0.00 2.01 0.00 0.00 34.83 33.86 3hg3 s MET 296 CO 0.03 -0.18 0.05 0.45 -0.01 0.00 0.00 175.02 175.36 3hg3 s SER 297 N -0.98 3.68 0.28 3.03 0.15 -0.32 -0.61 113.70 118.93 3hg3 s SER 297 Ca 0.53 -1.32 -0.19 0.00 0.70 0.00 0.00 55.95 55.67 3hg3 s SER 297 Cb -0.32 -0.87 0.07 0.00 -1.71 0.00 0.00 66.02 63.19 3hg3 s SER 297 CO 0.41 -0.35 0.94 0.54 1.20 0.00 0.00 173.24 175.98 3hg3 s ASN 298 N 1.63 0.03 -0.45 5.45 2.20 -1.26 -4.43 114.94 118.10 3hg3 s ASN 298 Ca 0.04 -0.92 -0.11 0.00 -0.94 0.00 0.00 52.86 50.93 3hg3 s ASN 298 Cb -0.18 0.66 0.09 0.00 -2.00 0.00 0.00 41.25 39.82 3hg3 s ASN 298 CO -0.16 -1.31 0.32 -0.62 -2.94 0.00 0.00 177.10 172.39 3hg3 s ASP 299 N -3.30 5.81 0.45 3.54 -1.08 -1.26 -4.94 116.67 115.89 3hg3 s ASP 299 Ca 0.20 -1.54 0.31 0.00 -0.52 0.00 0.00 52.55 51.00 3hg3 s ASP 299 Cb -0.04 -2.06 1.47 0.00 -1.46 0.00 0.00 42.92 40.84 3hg3 s ASP 299 CO 0.08 -0.61 1.93 -0.07 0.52 0.00 0.00 175.17 177.02 3hg3 h LEU 300 N 8.53 0.00 -0.60 -1.34 3.38 -1.98 -0.77 115.31 122.54 3hg3 h LEU 300 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3hg3 h LEU 300 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hg3 h LEU 300 CO 0.82 0.00 -0.31 0.03 0.09 0.00 0.00 178.44 179.07 3hg3 h ARG 301 N 0.00 0.00 -2.33 1.13 3.08 -1.95 -3.39 114.38 110.93 3hg3 h ARG 301 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3hg3 h ARG 301 Cb 0.24 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.90 3hg3 h ARG 301 CO 0.00 0.31 -0.97 0.72 -1.07 0.00 0.00 179.97 178.96 3hg3 n HIS 302 N -3.31 -0.41 -4.26 3.04 8.25 -0.30 -5.09 115.22 113.14 3hg3 n HIS 302 Ca 0.01 -3.45 -0.19 0.00 -0.26 0.00 0.00 57.72 53.83 3hg3 n HIS 302 Cb 0.55 0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.56 3hg3 n HIS 302 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3hg3 s ILE 303 N -0.39 0.60 0.63 1.59 2.07 -1.22 -4.64 121.20 119.85 3hg3 s ILE 303 Ca 0.33 -0.25 -0.17 0.00 -1.41 0.00 0.00 60.65 59.15 3hg3 s ILE 303 Cb 0.07 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 3hg3 s ILE 303 CO -0.17 0.20 1.16 -0.94 -1.91 0.00 0.00 174.94 173.28 3hg3 s SER 304 N 0.32 5.07 0.37 4.50 1.04 -1.26 -4.85 113.70 118.87 3hg3 s SER 304 Ca -0.04 2.21 0.06 0.00 0.48 0.00 0.00 55.95 58.66 3hg3 s SER 304 Cb -0.09 -2.58 0.75 0.00 0.10 0.00 0.00 66.02 64.21 3hg3 s SER 304 CO 0.00 -1.67 1.96 -0.65 0.98 0.00 0.00 173.24 173.87 3hg3 h PRO 305 N 0.43 0.72 -0.16 4.02 0.11 -2.00 -1.26 132.00 133.86 3hg3 h PRO 305 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3hg3 h PRO 305 Cb 1.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hg3 h PRO 305 CO 0.54 0.47 0.05 0.37 -0.21 0.00 0.00 178.00 179.22 3hg3 h GLN 306 N 0.74 0.25 -0.67 1.05 4.15 -2.00 -0.87 115.11 117.77 3hg3 h GLN 306 Ca 0.30 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 3hg3 h GLN 306 Cb 0.25 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3hg3 h GLN 306 CO -0.10 0.38 0.17 0.00 -1.93 0.00 0.00 178.83 177.35 3hg3 h ALA 307 N 0.86 0.88 -0.37 3.38 0.00 -1.88 -2.28 119.26 119.84 3hg3 h ALA 307 Ca 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hg3 h ALA 307 Cb 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hg3 h ALA 307 CO -0.00 0.59 0.22 -0.22 0.00 0.00 0.00 179.25 179.83 3hg3 h LYS 308 N 0.99 0.43 -0.58 0.00 3.64 -1.10 -1.50 116.57 118.45 3hg3 h LYS 308 Ca 0.21 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3hg3 h LYS 308 Cb 0.36 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3hg3 h LYS 308 CO 0.00 0.28 0.08 0.00 -2.27 0.00 0.00 179.45 177.54 3hg3 h ALA 309 N 1.17 1.05 -0.00 5.00 0.00 -0.94 -0.94 119.26 124.59 3hg3 h ALA 309 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hg3 h ALA 309 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hg3 h ALA 309 CO -0.07 0.61 -0.00 1.25 0.00 0.00 0.00 179.25 181.03 3hg3 h LEU 310 N 0.88 0.01 -1.83 0.00 5.85 -1.29 -1.67 115.31 117.26 3hg3 h LEU 310 Ca 0.18 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3hg3 h LEU 310 Cb 0.41 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3hg3 h LEU 310 CO 0.01 0.32 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.23 3hg3 h LEU 311 N -0.31 0.00 -2.67 2.25 3.38 -1.16 -2.45 115.31 114.36 3hg3 h LEU 311 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hg3 h LEU 311 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hg3 h LEU 311 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3hg3 n GLN 312 N -4.07 2.68 -1.64 1.13 6.02 -0.37 -4.97 117.38 116.16 3hg3 n GLN 312 Ca -0.02 -2.61 -0.43 0.00 -0.01 0.00 0.00 57.00 53.93 3hg3 n GLN 312 Cb 0.22 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 3hg3 n GLN 312 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hg3 s ASP 313 N -1.05 5.80 0.32 1.08 -1.08 -0.63 -4.85 116.67 116.26 3hg3 s ASP 313 Ca 0.48 2.13 0.05 0.00 -0.52 0.00 0.00 52.55 54.69 3hg3 s ASP 313 Cb 0.25 -2.52 0.55 0.00 -1.46 0.00 0.00 42.92 39.75 3hg3 s ASP 313 CO 0.33 -1.65 1.81 0.07 0.52 0.00 0.00 175.17 176.25 3hg3 h LYS 314 N 13.50 0.44 -0.15 4.34 2.10 -1.91 -1.15 116.57 133.73 3hg3 h LYS 314 Ca -0.44 -0.13 -0.20 0.00 -2.00 0.00 0.00 60.65 57.88 3hg3 h LYS 314 Cb 1.24 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3hg3 h LYS 314 CO 0.96 0.58 -0.72 -0.44 -2.00 0.00 0.00 179.45 177.82 3hg3 h ASP 315 N 0.40 0.80 -0.20 7.07 3.32 -1.99 -1.08 116.42 124.74 3hg3 h ASP 315 Ca 0.07 -0.50 -0.15 0.00 0.02 0.00 0.00 57.03 56.47 3hg3 h ASP 315 Cb 0.50 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hg3 h ASP 315 CO 0.03 1.28 -0.47 0.58 -1.72 0.00 0.00 179.24 178.94 3hg3 h VAL 316 N 0.47 1.32 -0.91 -1.35 2.07 -1.91 -2.81 116.25 113.13 3hg3 h VAL 316 Ca -0.03 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.78 3hg3 h VAL 316 Cb 1.33 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 3hg3 h VAL 316 CO 0.14 0.53 0.58 0.40 0.02 0.00 0.00 177.57 179.24 3hg3 h ILE 317 N 0.37 1.24 -0.90 4.57 2.04 -1.22 -1.89 117.51 121.72 3hg3 h ILE 317 Ca -0.00 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.42 3hg3 h ILE 317 Cb 1.09 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3hg3 h ILE 317 CO 0.10 0.24 0.59 0.00 0.00 0.00 0.00 178.15 179.09 3hg3 h ALA 318 N 1.32 1.45 0.29 1.87 0.00 -1.12 0.24 119.26 123.30 3hg3 h ALA 318 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hg3 h ALA 318 Cb -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.38 3hg3 h ALA 318 CO -0.07 0.45 -0.14 0.82 0.00 0.00 0.00 179.25 180.32 3hg3 h ILE 319 N 1.10 0.74 -0.85 0.00 2.04 -1.17 -1.18 117.51 118.20 3hg3 h ILE 319 Ca 0.36 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 66.13 3hg3 h ILE 319 Cb 0.06 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 3hg3 h ILE 319 CO -0.12 0.05 0.48 -1.13 0.00 0.00 0.00 178.15 177.43 3hg3 h ASN 320 N -0.49 0.66 -0.33 1.72 -0.73 -0.73 -2.14 115.58 113.54 3hg3 h ASN 320 Ca -0.04 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3hg3 h ASN 320 Cb 0.37 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.90 3hg3 h ASN 320 CO 0.06 0.35 0.00 0.00 -0.37 0.00 0.00 177.43 177.47 3hg3 n GLN 321 N -4.77 1.85 -1.65 6.67 1.13 0.78 -4.61 117.38 116.79 3hg3 n GLN 321 Ca 0.15 -1.22 -0.48 0.00 -1.94 0.00 0.00 57.00 53.51 3hg3 n GLN 321 Cb 0.33 -1.31 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 3hg3 n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hg3 n ASP 322 N 0.46 2.72 0.27 1.08 2.03 -0.46 -4.85 116.55 117.81 3hg3 n ASP 322 Ca 0.11 1.08 0.11 0.00 0.52 0.00 0.00 54.79 56.61 3hg3 n ASP 322 Cb 0.31 -1.34 0.74 0.00 -0.72 0.00 0.00 41.12 40.11 3hg3 n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hg3 h PRO 323 N 6.07 0.00 -0.86 -0.67 0.13 -1.92 -1.66 132.00 133.10 3hg3 h PRO 323 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3hg3 h PRO 323 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 3hg3 h PRO 323 CO 0.87 0.05 0.56 1.25 -0.23 0.00 0.00 178.00 180.50 3hg3 h LEU 324 N 0.00 0.90 0.85 1.56 6.46 -1.94 -3.47 115.31 119.67 3hg3 h LEU 324 Ca -0.00 -0.01 -0.32 0.00 -0.12 0.00 0.00 57.88 57.44 3hg3 h LEU 324 Cb 0.11 -0.20 0.04 0.00 -0.73 0.00 0.00 40.66 39.87 3hg3 h LEU 324 CO 0.01 0.61 -0.46 0.61 -0.62 0.00 0.00 178.44 178.58 3hg3 n GLY 325 N -1.41 -0.25 3.62 3.75 0.00 -0.62 -4.77 105.19 105.51 3hg3 n GLY 325 Ca 0.12 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3hg3 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg3 s LYS 326 N -5.36 4.05 0.34 1.61 1.02 -1.26 -3.97 119.74 116.16 3hg3 s LYS 326 Ca 0.21 0.06 -0.28 0.00 0.02 0.00 0.00 55.97 55.97 3hg3 s LYS 326 Cb -0.09 -3.63 -0.10 0.00 -0.52 0.00 0.00 37.83 33.49 3hg3 s LYS 326 CO 0.26 -0.22 1.25 -1.14 -0.92 0.00 0.00 175.35 174.58 3hg3 s GLN 327 N 1.89 4.34 0.51 1.68 0.74 -1.26 -4.58 119.66 122.97 3hg3 s GLN 327 Ca 0.15 2.10 -0.09 0.00 0.05 0.00 0.00 55.36 57.58 3hg3 s GLN 327 Cb -0.15 -3.02 0.12 0.00 1.10 0.00 0.00 33.01 31.06 3hg3 s GLN 327 CO 0.09 -0.16 0.55 0.41 -0.55 0.00 0.00 175.29 175.64 3hg3 n GLY 328 N 0.84 -1.97 3.66 2.59 0.00 -0.14 -4.80 105.19 105.37 3hg3 n GLY 328 Ca 0.01 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3hg3 n GLY 328 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hg3 s TYR 329 N -2.11 -0.33 -0.15 1.61 -0.85 -0.57 -4.84 117.35 110.11 3hg3 s TYR 329 Ca 0.33 -0.01 -0.29 0.00 -0.52 0.00 0.00 57.07 56.58 3hg3 s TYR 329 Cb -0.02 0.64 -0.01 0.00 0.38 0.00 0.00 41.96 42.95 3hg3 s TYR 329 CO 0.24 -1.02 1.03 -1.14 -1.52 0.00 0.00 175.55 173.15 3hg3 s GLN 330 N -3.76 4.36 -0.17 -3.49 0.74 -1.26 -1.35 119.66 114.73 3hg3 s GLN 330 Ca 0.07 1.40 -0.24 0.00 0.05 0.00 0.00 55.36 56.64 3hg3 s GLN 330 Cb -0.03 -3.58 -0.23 0.00 1.10 0.00 0.00 33.01 30.27 3hg3 s GLN 330 CO -0.02 -0.44 0.48 1.25 -0.55 0.00 0.00 175.29 176.02 3hg3 h LEU 331 N 8.55 0.04 -7.95 3.68 5.85 -0.14 -3.48 115.31 121.87 3hg3 h LEU 331 Ca -0.27 -0.75 -0.08 0.00 0.84 0.00 0.00 57.88 57.63 3hg3 h LEU 331 Cb 1.12 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 3hg3 h LEU 331 CO 0.90 1.30 -0.21 0.00 -0.34 0.00 0.00 178.44 180.09 3hg3 s ARG 332 N -2.32 1.22 -0.17 1.25 1.70 -0.97 -5.00 118.95 114.67 3hg3 s ARG 332 Ca -0.24 -1.07 -0.15 0.00 -0.47 0.00 0.00 55.73 53.80 3hg3 s ARG 332 Cb 0.02 0.42 0.04 0.00 -0.57 0.00 0.00 34.95 34.87 3hg3 s ARG 332 CO 0.65 -0.47 0.44 -1.14 -1.08 0.00 0.00 175.30 173.70 3hg3 s GLN 333 N -3.93 0.51 0.00 3.89 0.74 -1.26 -0.88 119.66 118.72 3hg3 s GLN 333 Ca 0.14 0.62 0.00 0.00 0.05 0.00 0.00 55.36 56.18 3hg3 s GLN 333 Cb 0.02 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.37 3hg3 s GLN 333 CO -0.01 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 3hg3 n GLY 334 N 2.90 3.74 3.49 2.59 0.00 -0.65 -5.00 105.19 112.27 3hg3 n GLY 334 Ca -0.14 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 3hg3 n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hg3 n ASP 335 N 0.00 -5.73 -2.73 1.61 2.03 -1.26 -1.73 116.55 108.74 3hg3 n ASP 335 Ca 0.00 -0.51 -0.15 0.00 0.52 0.00 0.00 54.79 54.64 3hg3 n ASP 335 Cb 0.00 -4.57 -0.00 0.00 -0.72 0.00 0.00 41.12 35.82 3hg3 n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hg3 n ASN 336 N -2.77 -3.86 -4.49 1.67 3.02 -1.26 -4.90 115.26 102.66 3hg3 n ASN 336 Ca -0.02 0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 3hg3 n ASN 336 Cb 0.57 -3.25 -0.11 0.00 -0.61 0.00 0.00 39.78 36.38 3hg3 n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hg3 s PHE 337 N -2.71 2.49 -0.02 3.10 0.40 -0.70 -0.11 117.98 120.43 3hg3 s PHE 337 Ca 0.12 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 3hg3 s PHE 337 Cb -0.06 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 3hg3 s PHE 337 CO 0.15 0.44 -0.12 -1.21 0.70 0.00 0.00 175.22 175.18 3hg3 s GLU 338 N -2.42 1.10 -0.17 0.44 2.02 -0.40 -1.64 118.70 117.63 3hg3 s GLU 338 Ca 0.20 -0.43 -0.00 0.00 0.02 0.00 0.00 54.97 54.76 3hg3 s GLU 338 Cb -0.09 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.10 3hg3 s GLU 338 CO 0.11 0.23 -0.14 0.08 0.02 0.00 0.00 175.26 175.55 3hg3 s VAL 339 N -0.13 2.66 0.18 2.63 1.01 -0.06 -0.71 120.40 125.97 3hg3 s VAL 339 Ca 0.02 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.34 3hg3 s VAL 339 Cb -0.07 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3hg3 s VAL 339 CO 0.00 0.51 -0.18 0.26 0.00 0.00 0.00 175.10 175.69 3hg3 s TRP 340 N 1.01 2.46 0.03 5.22 0.52 0.59 0.63 118.94 129.41 3hg3 s TRP 340 Ca -0.01 -0.29 -0.09 0.00 0.02 0.00 0.00 56.10 55.72 3hg3 s TRP 340 Cb -0.15 -1.23 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 3hg3 s TRP 340 CO -0.03 0.49 0.19 -1.83 0.02 0.00 0.00 176.95 175.78 3hg3 s GLU 341 N -2.64 0.66 -0.05 4.98 -1.05 -0.46 -0.25 118.70 119.89 3hg3 s GLU 341 Ca 0.22 -0.59 -0.00 0.00 -0.15 0.00 0.00 54.97 54.45 3hg3 s GLU 341 Cb -0.09 0.27 0.03 0.00 -0.44 0.00 0.00 34.13 33.90 3hg3 s GLU 341 CO 0.12 -0.19 -0.01 0.50 0.95 0.00 0.00 175.26 176.63 3hg3 s ARG 342 N -2.38 0.51 0.26 -4.83 3.52 0.39 -1.51 118.95 114.91 3hg3 s ARG 342 Ca -0.07 0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.29 3hg3 s ARG 342 Cb -0.02 -0.72 -0.09 0.00 -1.56 0.00 0.00 34.95 32.56 3hg3 s ARG 342 CO -0.03 -0.18 1.25 -1.25 -0.81 0.00 0.00 175.30 174.28 3hg3 s PRO 343 N 1.31 4.45 0.36 5.12 0.04 -1.26 -1.07 135.00 143.95 3hg3 s PRO 343 Ca -0.05 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.09 3hg3 s PRO 343 Cb -0.13 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 3hg3 s PRO 343 CO -0.02 -0.10 -0.05 -0.51 0.04 0.00 0.00 177.00 176.36 3hg3 s LEU 344 N -0.99 2.75 0.76 -3.56 1.43 0.56 -4.59 118.68 115.03 3hg3 s LEU 344 Ca 0.51 -1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 3hg3 s LEU 344 Cb -0.36 -0.92 0.05 0.00 0.03 0.00 0.00 46.19 45.00 3hg3 s LEU 344 CO 0.43 -0.32 1.18 -0.94 0.23 0.00 0.00 176.35 176.94 3hg3 s SER 345 N -3.63 4.09 -1.07 2.29 1.04 -1.26 -3.53 113.70 111.63 3hg3 s SER 345 Ca 0.33 2.27 -0.03 0.00 0.48 0.00 0.00 55.95 59.01 3hg3 s SER 345 Cb 0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3hg3 s SER 345 CO 0.17 -2.33 0.34 0.61 0.98 0.00 0.00 173.24 173.01 3hg3 n GLY 346 N 0.20 -0.14 2.42 7.32 0.00 -1.26 -3.24 105.19 110.49 3hg3 n GLY 346 Ca 0.13 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3hg3 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hg3 n LEU 347 N -2.66 -1.58 -4.96 0.99 4.77 -1.24 -4.82 117.00 107.50 3hg3 n LEU 347 Ca -0.09 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 3hg3 n LEU 347 Cb 0.59 -2.69 -0.01 0.00 -2.33 0.00 0.00 43.42 38.99 3hg3 n LEU 347 CO 0.30 -0.51 0.13 0.00 -1.33 0.00 0.00 177.39 175.98 3hg3 s ALA 348 N -2.79 3.87 0.02 -1.18 0.00 -1.20 -4.05 121.76 116.44 3hg3 s ALA 348 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3hg3 s ALA 348 Cb 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 3hg3 s ALA 348 CO 0.00 -0.05 -0.07 -1.58 0.00 0.00 0.00 175.76 174.07 3hg3 s TRP 349 N -2.27 0.58 -0.12 0.00 0.51 -0.58 -0.32 118.94 116.73 3hg3 s TRP 349 Ca 0.42 -0.30 -0.06 0.00 -2.12 0.00 0.00 56.10 54.03 3hg3 s TRP 349 Cb -0.10 -0.36 -0.04 0.00 -0.81 0.00 0.00 33.47 32.17 3hg3 s TRP 349 CO 0.34 -0.05 0.09 0.00 -0.51 0.00 0.00 176.95 176.82 3hg3 s ALA 350 N -0.78 3.64 -0.06 0.98 0.00 -0.24 0.09 121.76 125.40 3hg3 s ALA 350 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3hg3 s ALA 350 Cb -0.06 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hg3 s ALA 350 CO 0.00 0.52 -0.09 0.08 0.00 0.00 0.00 175.76 176.27 3hg3 s VAL 351 N -0.70 0.93 -0.08 0.00 1.01 -0.09 -0.46 120.40 121.01 3hg3 s VAL 351 Ca 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3hg3 s VAL 351 Cb -0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3hg3 s VAL 351 CO 0.03 0.31 -0.21 0.00 0.00 0.00 0.00 175.10 175.22 3hg3 s ALA 352 N 0.82 2.31 -0.19 5.51 0.00 0.65 -0.02 121.76 130.84 3hg3 s ALA 352 Ca -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3hg3 s ALA 352 Cb -0.15 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.16 3hg3 s ALA 352 CO 0.02 0.37 -0.15 -1.64 0.00 0.00 0.00 175.76 174.35 3hg3 s MET 353 N -0.01 2.54 -0.15 0.00 -1.94 -0.14 -0.30 119.30 119.29 3hg3 s MET 353 Ca -0.07 -0.86 -0.04 0.00 -1.71 0.00 0.00 55.69 53.00 3hg3 s MET 353 Cb -0.15 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 3hg3 s MET 353 CO 0.05 -0.32 -0.01 0.42 -0.01 0.00 0.00 175.02 175.15 3hg3 s ILE 354 N 1.32 4.16 -0.50 2.53 1.01 0.11 -1.13 121.20 128.71 3hg3 s ILE 354 Ca 0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 3hg3 s ILE 354 Cb -0.15 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.55 3hg3 s ILE 354 CO -0.10 0.50 0.61 0.21 0.00 0.00 0.00 174.94 176.16 3hg3 s ASN 355 N 0.16 6.22 0.00 3.58 2.47 -0.89 -1.27 114.94 125.22 3hg3 s ASN 355 Ca 0.00 -0.89 0.25 0.00 0.42 0.00 0.00 52.86 52.65 3hg3 s ASN 355 Cb -0.13 -2.28 0.81 0.00 -1.45 0.00 0.00 41.25 38.19 3hg3 s ASN 355 CO 0.02 -0.86 1.60 0.54 -3.72 0.00 0.00 177.10 174.69 3hg3 n ARG 356 N 6.10 1.83 -2.67 0.43 5.12 0.84 -0.54 116.66 127.78 3hg3 n ARG 356 Ca -0.07 -1.23 -0.43 0.00 -1.93 0.00 0.00 57.85 54.20 3hg3 n ARG 356 Cb 0.46 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 3hg3 n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3hg3 s GLN 357 N -1.92 4.08 -0.68 5.56 0.74 -1.20 -4.87 119.66 121.37 3hg3 s GLN 357 Ca 0.35 1.07 -0.02 0.00 0.05 0.00 0.00 55.36 56.81 3hg3 s GLN 357 Cb 0.20 -3.73 0.43 0.00 1.10 0.00 0.00 33.01 31.02 3hg3 s GLN 357 CO 0.31 -0.86 2.04 0.39 -0.55 0.00 0.00 175.29 176.63 3hg3 n GLU 358 N 6.76 2.68 -3.62 1.67 1.02 -1.26 -4.25 120.64 123.63 3hg3 n GLU 358 Ca 0.11 -3.27 -0.14 0.00 -0.02 0.00 0.00 57.16 53.83 3hg3 n GLU 358 Cb 0.47 -2.27 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 3hg3 n GLU 358 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3hg3 s ILE 359 N -4.79 0.03 0.00 -3.67 2.07 -1.26 -5.07 121.20 108.51 3hg3 s ILE 359 Ca 0.63 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 3hg3 s ILE 359 Cb 0.50 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 42.18 3hg3 s ILE 359 CO -0.06 -0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.43 3hg3 n GLY 360 N 0.72 -0.47 0.00 1.50 0.00 -1.26 -4.93 105.19 100.75 3hg3 n GLY 360 Ca -0.19 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3hg3 n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg3 n GLY 361 N 0.00 5.28 3.69 -0.02 0.00 -1.26 -4.87 105.19 108.00 3hg3 n GLY 361 Ca 0.00 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 3hg3 n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hg3 n PRO 362 N 0.00 2.27 -5.02 1.61 -0.02 -1.26 -4.40 135.00 128.18 3hg3 n PRO 362 Ca 0.00 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 3hg3 n PRO 362 Cb 0.00 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 30.78 3hg3 n PRO 362 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hg3 s ARG 363 N 0.18 2.91 0.16 -0.52 3.52 -0.30 -4.79 118.95 120.11 3hg3 s ARG 363 Ca 0.72 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 3hg3 s ARG 363 Cb -0.62 -2.39 -0.07 0.00 -1.56 0.00 0.00 34.95 30.31 3hg3 s ARG 363 CO 0.44 0.34 1.02 -1.54 -0.81 0.00 0.00 175.30 174.75 3hg3 s SER 364 N -0.02 7.42 -0.06 -2.12 1.04 -1.26 -1.16 113.70 117.54 3hg3 s SER 364 Ca -0.06 1.95 0.02 0.00 0.48 0.00 0.00 55.95 58.34 3hg3 s SER 364 Cb -0.15 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.39 3hg3 s SER 364 CO 0.05 -0.10 -0.11 -0.47 0.98 0.00 0.00 173.24 173.58 3hg3 s TYR 365 N -0.27 1.31 -0.08 5.02 5.04 0.20 -4.98 117.35 123.59 3hg3 s TYR 365 Ca 0.47 -0.44 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 3hg3 s TYR 365 Cb -0.26 -0.97 -0.01 0.00 0.35 0.00 0.00 41.96 41.07 3hg3 s TYR 365 CO 0.32 -0.23 -0.24 0.99 -1.34 0.00 0.00 175.55 175.05 3hg3 s THR 366 N 0.59 2.14 0.01 4.34 2.01 -1.26 -0.63 115.64 122.83 3hg3 s THR 366 Ca -0.12 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.88 3hg3 s THR 366 Cb -0.14 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 3hg3 s THR 366 CO 0.03 0.57 -0.06 -0.51 -0.69 0.00 0.00 174.62 173.95 3hg3 s ILE 367 N 0.02 0.44 0.01 1.82 2.07 -0.21 -4.97 121.20 120.38 3hg3 s ILE 367 Ca -0.09 -0.48 -0.30 0.00 -1.41 0.00 0.00 60.65 58.37 3hg3 s ILE 367 Cb -0.15 -0.42 -0.05 0.00 0.13 0.00 0.00 42.46 41.97 3hg3 s ILE 367 CO 0.06 -0.04 1.31 0.00 -1.91 0.00 0.00 174.94 174.35 3hg3 s ALA 368 N -0.51 3.52 0.36 1.50 0.00 -1.26 -0.13 121.76 125.24 3hg3 s ALA 368 Ca -0.02 0.83 0.38 0.00 0.00 0.00 0.00 51.96 53.15 3hg3 s ALA 368 Cb -0.04 -3.54 1.83 0.00 0.00 0.00 0.00 23.12 21.37 3hg3 s ALA 368 CO -0.00 -0.75 2.16 -0.39 0.00 0.00 0.00 175.76 176.78 3hg3 h VAL 369 N 4.80 0.02 0.00 0.00 -1.51 -1.63 -1.27 116.25 116.67 3hg3 h VAL 369 Ca -0.38 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3hg3 h VAL 369 Cb 1.18 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3hg3 h VAL 369 CO 0.88 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 177.22 3hg3 h ALA 370 N 1.99 1.00 0.00 5.19 0.00 -1.78 -2.23 119.26 123.43 3hg3 h ALA 370 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hg3 h ALA 370 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hg3 h ALA 370 CO 0.00 0.00 -0.02 0.77 0.00 0.00 0.00 179.25 180.00 3hg3 h SER 371 N 0.00 0.00 -3.46 0.00 0.02 -1.58 -3.25 113.55 105.29 3hg3 h SER 371 Ca 0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 3hg3 h SER 371 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3hg3 h SER 371 CO 0.00 0.00 -0.09 -0.76 -1.14 0.00 0.00 176.83 174.84 3hg3 s LEU 372 N -4.92 4.17 -1.45 5.07 1.43 -0.84 -4.31 118.68 117.83 3hg3 s LEU 372 Ca 0.10 0.97 -0.09 0.00 -1.03 0.00 0.00 54.13 54.07 3hg3 s LEU 372 Cb 0.11 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.69 3hg3 s LEU 372 CO 0.62 -0.07 0.95 0.61 0.23 0.00 0.00 176.35 178.68 3hg3 n GLY 373 N -0.08 -0.45 2.38 -3.19 0.00 -1.26 -1.09 105.19 101.50 3hg3 n GLY 373 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3hg3 n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hg3 n LYS 374 N -4.62 -1.76 -1.00 1.61 5.02 -1.26 -1.63 118.16 114.52 3hg3 n LYS 374 Ca -0.05 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3hg3 n LYS 374 Cb 0.57 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 3hg3 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hg3 n GLY 375 N -0.72 0.73 0.01 0.72 0.00 -0.25 -4.87 105.19 100.81 3hg3 n GLY 375 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3hg3 n GLY 375 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hg3 n VAL 376 N -2.51 0.13 -0.20 1.61 0.24 -0.65 -4.48 118.33 112.47 3hg3 n VAL 376 Ca 0.00 -0.36 0.01 0.00 -2.04 0.00 0.00 64.34 61.95 3hg3 n VAL 376 Cb 0.00 0.06 0.11 0.00 -1.47 0.00 0.00 33.84 32.54 3hg3 n VAL 376 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hg3 h ALA 377 N 1.21 0.68 -0.28 2.33 0.00 -1.65 -2.94 119.26 118.61 3hg3 h ALA 377 Ca -0.05 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3hg3 h ALA 377 Cb 0.81 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 3hg3 h ALA 377 CO 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 179.25 178.65 3hg3 s ASN 379 N -2.86 4.97 0.24 0.00 3.84 -1.11 -1.49 114.94 118.53 3hg3 s ASN 379 Ca 0.43 -0.61 0.26 0.00 0.21 0.00 0.00 52.86 53.15 3hg3 s ASN 379 Cb 0.40 -1.85 0.72 0.00 -0.55 0.00 0.00 41.25 39.97 3hg3 s ASN 379 CO -0.02 -0.14 1.73 1.55 -2.79 0.00 0.00 177.10 177.42 3hg3 h PRO 380 N 8.20 0.00 -2.79 0.43 0.13 -1.92 -3.46 132.00 132.60 3hg3 h PRO 380 Ca -0.34 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 3hg3 h PRO 380 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 3hg3 h PRO 380 CO 0.60 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.67 3hg3 s ALA 381 N -3.12 -1.54 0.06 -0.56 0.00 -0.55 -1.38 121.76 114.66 3hg3 s ALA 381 Ca 0.10 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3hg3 s ALA 381 Cb 0.11 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 3hg3 s ALA 381 CO 0.61 -0.86 -0.08 0.00 0.00 0.00 0.00 175.76 175.43 3hg3 s PHE 383 N -1.93 3.44 -0.16 0.00 5.36 0.82 -0.55 117.98 124.96 3hg3 s PHE 383 Ca -0.05 0.49 -0.03 0.00 -0.96 0.00 0.00 56.93 56.39 3hg3 s PHE 383 Cb -0.06 -2.28 -0.02 0.00 -0.34 0.00 0.00 43.02 40.31 3hg3 s PHE 383 CO -0.01 0.24 -0.06 0.42 -1.46 0.00 0.00 175.22 174.35 3hg3 s ILE 384 N 0.48 3.53 -0.11 3.12 1.01 -0.43 -0.95 121.20 127.84 3hg3 s ILE 384 Ca 0.13 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.34 3hg3 s ILE 384 Cb -0.12 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.80 3hg3 s ILE 384 CO 0.02 0.48 -0.23 -0.89 0.00 0.00 0.00 174.94 174.33 3hg3 s THR 385 N 0.62 2.14 0.04 2.92 2.01 -0.45 -0.68 115.64 122.24 3hg3 s THR 385 Ca -0.04 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.71 3hg3 s THR 385 Cb -0.15 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 3hg3 s THR 385 CO 0.03 0.55 0.85 -1.58 -0.69 0.00 0.00 174.62 173.78 3hg3 s GLN 386 N 0.43 4.56 -0.16 4.92 0.74 0.13 -0.49 119.66 129.79 3hg3 s GLN 386 Ca -0.16 1.21 0.06 0.00 0.05 0.00 0.00 55.36 56.52 3hg3 s GLN 386 Cb -0.17 -3.39 -0.14 0.00 1.10 0.00 0.00 33.01 30.41 3hg3 s GLN 386 CO 0.07 0.18 -0.07 1.28 -0.55 0.00 0.00 175.29 176.19 3hg3 n LEU 387 N 3.10 1.80 -4.07 3.68 4.77 0.91 -0.63 117.00 126.56 3hg3 n LEU 387 Ca 0.00 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 3hg3 n LEU 387 Cb 0.50 -0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 3hg3 n LEU 387 CO 0.49 0.61 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.99 3hg3 s LEU 388 N -5.62 2.22 0.50 2.23 1.43 -1.10 -3.39 118.68 114.96 3hg3 s LEU 388 Ca -0.17 -0.49 0.30 0.00 -1.03 0.00 0.00 54.13 52.75 3hg3 s LEU 388 Cb 0.05 -0.28 1.06 0.00 0.03 0.00 0.00 46.19 47.05 3hg3 s LEU 388 CO 0.47 -0.12 1.87 1.55 0.23 0.00 0.00 176.35 180.34 3hg3 h PRO 389 N 4.72 0.00 -5.25 1.29 0.13 -1.89 -1.22 132.00 129.79 3hg3 h PRO 389 Ca -0.36 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.39 3hg3 h PRO 389 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 3hg3 h PRO 389 CO 0.42 0.00 -0.76 0.14 -0.23 0.00 0.00 178.00 177.58 3hg3 s VAL 390 N -3.51 1.13 -0.13 1.56 -7.23 -1.26 -5.13 120.40 105.84 3hg3 s VAL 390 Ca 0.03 -1.55 -0.28 0.00 -1.81 0.00 0.00 61.98 58.36 3hg3 s VAL 390 Cb 0.08 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 3hg3 s VAL 390 CO 0.57 -0.40 0.96 -0.75 -0.31 0.00 0.00 175.10 175.17 3hg3 s LYS 391 N -2.39 4.39 -0.24 4.82 2.20 -1.22 -3.99 119.74 123.31 3hg3 s LYS 391 Ca 0.04 1.29 -0.13 0.00 -0.36 0.00 0.00 55.97 56.81 3hg3 s LYS 391 Cb -0.06 -3.55 0.08 0.00 -1.51 0.00 0.00 37.83 32.78 3hg3 s LYS 391 CO 0.02 -0.32 0.57 0.50 -0.36 0.00 0.00 175.35 175.76 3hg3 s ARG 392 N 2.07 0.57 0.12 4.03 3.52 0.19 -4.99 118.95 124.48 3hg3 s ARG 392 Ca 0.45 1.07 -0.31 0.00 -0.13 0.00 0.00 55.73 56.82 3hg3 s ARG 392 Cb -0.18 0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.26 3hg3 s ARG 392 CO 0.16 -0.16 1.32 0.15 -0.81 0.00 0.00 175.30 175.96 3hg3 s LYS 393 N 1.66 4.37 -0.19 5.12 1.02 -1.26 0.20 119.74 130.65 3hg3 s LYS 393 Ca -0.09 1.99 0.18 0.00 0.02 0.00 0.00 55.97 58.07 3hg3 s LYS 393 Cb -0.07 -3.26 -0.26 0.00 -0.52 0.00 0.00 37.83 33.73 3hg3 s LYS 393 CO -0.17 -0.35 0.09 1.28 -0.92 0.00 0.00 175.35 175.29 3hg3 n LEU 394 N 3.63 0.00 0.00 3.17 4.77 0.14 -4.89 117.00 123.81 3hg3 n LEU 394 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3hg3 n LEU 394 Cb 0.43 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 3hg3 n LEU 394 CO 0.58 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3hg3 n GLY 395 N 1.72 0.40 3.78 -0.72 0.00 -1.12 -4.96 105.19 104.28 3hg3 n GLY 395 Ca -0.31 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.00 3hg3 n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hg3 s PHE 396 N -0.29 3.78 -0.13 1.61 0.08 -1.26 -1.32 117.98 120.45 3hg3 s PHE 396 Ca 0.00 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.42 3hg3 s PHE 396 Cb 0.00 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.82 3hg3 s PHE 396 CO 0.00 0.44 -0.11 0.71 -0.10 0.00 0.00 175.22 176.17 3hg3 s TYR 397 N -0.65 1.82 0.78 0.36 1.51 0.29 -4.99 117.35 116.47 3hg3 s TYR 397 Ca 0.33 -0.97 -0.11 0.00 -1.01 0.00 0.00 57.07 55.30 3hg3 s TYR 397 Cb -0.20 -1.41 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 3hg3 s TYR 397 CO 0.21 -0.59 1.11 -1.21 -1.11 0.00 0.00 175.55 173.96 3hg3 s GLU 398 N 1.60 2.09 0.44 -0.62 8.01 -1.26 -1.43 118.70 127.53 3hg3 s GLU 398 Ca 0.05 1.29 0.16 0.00 0.01 0.00 0.00 54.97 56.48 3hg3 s GLU 398 Cb -0.13 -1.87 1.07 0.00 -4.31 0.00 0.00 34.13 28.89 3hg3 s GLU 398 CO -0.09 -1.78 1.94 2.35 0.01 0.00 0.00 175.26 177.68 3hg3 h TRP 399 N -1.08 0.44 -0.01 1.61 7.01 -1.08 -1.59 115.95 121.25 3hg3 h TRP 399 Ca -0.44 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.57 3hg3 h TRP 399 Cb 1.24 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 3hg3 h TRP 399 CO 0.56 0.18 -0.04 0.25 -2.79 0.00 0.00 178.44 176.60 3hg3 n THR 400 N -4.47 0.00 -2.36 2.65 -2.24 -1.26 -3.39 114.28 103.22 3hg3 n THR 400 Ca 0.13 -0.17 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 3hg3 n THR 400 Cb 0.49 0.24 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 3hg3 n THR 400 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hg3 s SER 401 N -2.10 5.27 0.04 3.42 1.04 -0.60 -4.93 113.70 115.84 3hg3 s SER 401 Ca 0.38 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.41 3hg3 s SER 401 Cb 0.21 -1.39 -0.03 0.00 0.10 0.00 0.00 66.02 64.90 3hg3 s SER 401 CO 0.37 -1.27 -0.17 -0.13 0.98 0.00 0.00 173.24 173.03 3hg3 s ARG 402 N -5.06 2.10 -0.17 4.02 0.52 -1.26 -1.91 118.95 117.20 3hg3 s ARG 402 Ca 0.56 -0.97 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3hg3 s ARG 402 Cb -0.11 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 3hg3 s ARG 402 CO 0.44 0.54 -0.03 -1.17 0.02 0.00 0.00 175.30 175.10 3hg3 s LEU 403 N -1.50 3.19 -0.14 2.53 2.96 0.82 -4.93 118.68 121.61 3hg3 s LEU 403 Ca 0.15 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3hg3 s LEU 403 Cb -0.11 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3hg3 s LEU 403 CO 0.06 0.12 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.51 3hg3 s ARG 404 N 0.64 3.46 0.05 1.98 3.52 -1.26 -1.04 118.95 126.28 3hg3 s ARG 404 Ca -0.02 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 3hg3 s ARG 404 Cb -0.14 -2.72 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 3hg3 s ARG 404 CO 0.02 0.21 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.47 3hg3 s SER 405 N 0.39 1.46 -0.19 -2.12 0.01 0.19 -4.98 113.70 108.47 3hg3 s SER 405 Ca -0.09 -0.49 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 3hg3 s SER 405 Cb -0.15 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 3hg3 s SER 405 CO 0.05 -0.04 0.07 -1.00 0.41 0.00 0.00 173.24 172.74 3hg3 s HIS 406 N -1.01 3.26 -0.09 2.43 3.76 -1.26 0.62 115.29 123.00 3hg3 s HIS 406 Ca -0.01 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 3hg3 s HIS 406 Cb -0.08 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.52 3hg3 s HIS 406 CO 0.01 0.14 -0.13 0.42 -0.85 0.00 0.00 174.74 174.33 3hg3 s ILE 407 N 0.47 1.27 0.57 0.60 1.01 -0.31 -4.85 121.20 119.96 3hg3 s ILE 407 Ca 0.04 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 3hg3 s ILE 407 Cb -0.12 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3hg3 s ILE 407 CO 0.00 0.39 1.29 0.20 0.00 0.00 0.00 174.94 176.83 3hg3 s ASN 408 N 0.91 5.16 0.09 3.58 0.01 -1.26 -1.16 114.94 122.27 3hg3 s ASN 408 Ca -0.09 2.61 -0.34 0.00 -0.71 0.00 0.00 52.86 54.32 3hg3 s ASN 408 Cb -0.15 -2.62 -0.14 0.00 0.41 0.00 0.00 41.25 38.75 3hg3 s ASN 408 CO 0.00 -1.63 1.61 -2.65 -1.51 0.00 0.00 177.10 172.92 3hg3 n PRO 409 N -1.32 1.99 -0.75 -0.60 -0.02 -1.26 -0.82 135.00 132.22 3hg3 n PRO 409 Ca 0.12 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3hg3 n PRO 409 Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3hg3 n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hg3 n THR 410 N 3.65 0.00 -2.51 3.45 -2.24 0.30 -4.88 114.28 112.06 3hg3 n THR 410 Ca 0.18 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.73 3hg3 n THR 410 Cb 0.27 -0.38 0.07 0.00 -2.10 0.00 0.00 70.33 68.19 3hg3 n THR 410 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hg3 s GLY 411 N -2.00 1.78 -0.01 3.38 0.00 0.00 -3.89 107.32 106.58 3hg3 s GLY 411 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.35 3hg3 s GLY 411 CO 0.00 -0.97 -0.03 -1.59 0.00 0.00 0.00 173.10 170.52 3hg3 s THR 412 N -3.02 0.25 -0.26 0.90 2.01 -1.26 -2.10 115.64 112.16 3hg3 s THR 412 Ca 0.61 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.40 3hg3 s THR 412 Cb -0.08 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 3hg3 s THR 412 CO 0.42 0.08 0.16 -0.69 -0.69 0.00 0.00 174.62 173.90 3hg3 s VAL 413 N 0.08 5.17 -0.19 3.82 1.01 -0.28 -3.86 120.40 126.14 3hg3 s VAL 413 Ca -0.00 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 3hg3 s VAL 413 Cb -0.03 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3hg3 s VAL 413 CO -0.00 0.30 0.01 -0.22 0.00 0.00 0.00 175.10 175.19 3hg3 s LEU 414 N 1.44 3.41 0.15 3.92 2.96 -0.46 -0.97 118.68 129.13 3hg3 s LEU 414 Ca 0.07 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 53.97 3hg3 s LEU 414 Cb -0.15 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3hg3 s LEU 414 CO 0.07 0.11 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.19 3hg3 s LEU 415 N 0.75 2.35 -0.10 -0.68 1.43 0.97 -0.06 118.68 123.34 3hg3 s LEU 415 Ca 0.01 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3hg3 s LEU 415 Cb -0.14 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 3hg3 s LEU 415 CO 0.02 0.16 -0.19 -1.58 0.23 0.00 0.00 176.35 174.99 3hg3 s GLN 416 N -2.24 3.09 -0.14 1.70 0.74 0.36 -0.91 119.66 122.26 3hg3 s GLN 416 Ca 0.16 -0.79 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 3hg3 s GLN 416 Cb -0.09 -2.42 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 3hg3 s GLN 416 CO 0.07 0.25 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.51 3hg3 s LEU 417 N 0.22 3.26 -0.17 3.68 1.02 0.11 -1.35 118.68 125.46 3hg3 s LEU 417 Ca -0.12 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 53.94 3hg3 s LEU 417 Cb -0.16 -1.78 0.01 0.00 0.02 0.00 0.00 46.19 44.29 3hg3 s LEU 417 CO 0.06 0.20 -0.20 -1.61 0.02 0.00 0.00 176.35 174.83 3hg3 s GLU 418 N 0.19 3.03 0.17 1.70 0.41 -0.13 -1.53 118.70 122.54 3hg3 s GLU 418 Ca -0.02 -0.82 -0.31 0.00 -0.41 0.00 0.00 54.97 53.41 3hg3 s GLU 418 Cb -0.14 -2.55 -0.09 0.00 -1.78 0.00 0.00 34.13 29.58 3hg3 s GLU 418 CO 0.03 -0.13 1.39 1.21 -0.49 0.00 0.00 175.26 177.27 3hg3 s ASN 419 N 1.11 6.79 0.48 -0.19 3.84 -1.26 -0.13 114.94 125.58 3hg3 s ASN 419 Ca 0.00 2.45 0.25 0.00 0.21 0.00 0.00 52.86 55.77 3hg3 s ASN 419 Cb -0.14 -2.60 1.17 0.00 -0.55 0.00 0.00 41.25 39.13 3hg3 s ASN 419 CO -0.08 -0.64 1.95 0.71 -2.79 0.00 0.00 177.10 176.25 3hg3 h THR 420 N 3.93 0.61 -0.44 -5.21 1.35 -1.59 -2.11 112.91 109.45 3hg3 h THR 420 Ca -0.44 -0.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3hg3 h THR 420 Cb 1.21 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 69.17 3hg3 h THR 420 CO 0.82 0.18 0.26 0.24 -0.25 0.00 0.00 175.52 176.78 3hg3 h MET 421 N 0.00 0.61 -0.29 4.72 2.86 -1.88 -1.98 114.93 118.96 3hg3 h MET 421 Ca -0.00 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3hg3 h MET 421 Cb 0.54 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3hg3 h MET 421 CO 0.02 0.46 -0.12 0.37 1.06 0.00 0.00 176.91 178.70 3hg3 h GLN 422 N 0.59 0.49 -0.45 1.72 5.75 -1.77 -2.79 115.11 118.65 3hg3 h GLN 422 Ca 0.16 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.39 3hg3 h GLN 422 Cb 0.01 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3hg3 h GLN 422 CO -0.03 0.61 -0.22 0.52 -2.65 0.00 0.00 178.83 177.06 3hg3 h MET 423 N 0.45 0.92 0.00 1.69 2.86 -1.17 -3.12 114.93 116.56 3hg3 h MET 423 Ca 0.08 -0.39 -0.11 0.00 -2.06 0.00 0.00 59.70 57.23 3hg3 h MET 423 Cb 0.49 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3hg3 h MET 423 CO 0.03 1.04 -0.52 0.66 1.06 0.00 0.00 176.91 179.18 3hg3 h SER 424 N 0.79 0.00 0.00 1.22 4.64 -1.26 -3.51 113.55 115.42 3hg3 h SER 424 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hg3 h SER 424 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3hg3 h SER 424 CO 0.06 0.52 0.00 0.18 -0.87 0.00 0.00 176.83 176.73