#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 7.86 -0.88 1.96 2.03 -1.26 -4.41 116.55 121.86 3hg3 n ASP 33 Ca 0.00 -2.87 0.07 0.00 0.52 0.00 0.00 54.79 52.51 3hg3 n ASP 33 Cb 0.00 -1.42 0.21 0.00 -0.72 0.00 0.00 41.12 39.19 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 2.38 3.37 0.00 1.67 6.94 -1.26 -4.96 115.26 123.40 3hg3 n ASN 34 Ca 0.65 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.07 3hg3 n ASN 34 Cb 0.34 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.62 3.91 4.83 0.00 -1.26 -4.97 105.19 108.99 3hg3 n GLY 35 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 3.58 -1.52 0.99 1.43 -1.26 -4.64 118.68 117.27 3hg3 s LEU 36 Ca 0.00 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 3hg3 s LEU 36 Cb 0.00 -2.31 0.07 0.00 0.03 0.00 0.00 46.19 43.98 3hg3 s LEU 36 CO 0.00 -0.55 0.76 0.00 0.23 0.00 0.00 176.35 176.79 3hg3 n ALA 37 N -1.56 -1.56 0.24 4.21 0.00 -1.26 -4.08 120.51 116.49 3hg3 n ALA 37 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3hg3 n ALA 37 Cb 0.60 -3.13 0.57 0.00 0.00 0.00 0.00 19.45 17.49 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 -1.84 0.00 -5.92 0.00 2.47 -1.91 0.25 114.38 107.43 3hg3 h ARG 38 Ca -0.60 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 57.53 3hg3 h ARG 38 Cb 1.38 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.56 3hg3 h ARG 38 CO 0.67 0.19 -0.70 0.95 0.56 0.00 0.00 179.97 181.64 3hg3 s THR 39 N -3.88 2.18 0.31 2.04 -4.23 -1.26 -4.36 115.64 106.45 3hg3 s THR 39 Ca -0.01 -2.25 -0.29 0.00 -1.18 0.00 0.00 61.69 57.96 3hg3 s THR 39 Cb 0.12 -2.49 -0.12 0.00 1.34 0.00 0.00 72.50 71.34 3hg3 s THR 39 CO 0.62 -0.29 1.37 -2.65 -0.54 0.00 0.00 174.62 173.13 3hg3 n PRO 40 N -0.69 2.23 -2.03 3.99 -0.02 -1.26 -4.88 135.00 132.33 3hg3 n PRO 40 Ca -0.05 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 3hg3 n PRO 40 Cb 0.62 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.71 2.56 -0.05 3.45 2.01 -1.26 -4.73 115.64 116.90 3hg3 s THR 41 Ca 0.59 0.54 0.05 0.00 0.31 0.00 0.00 61.69 63.19 3hg3 s THR 41 Cb -0.57 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 3hg3 s THR 41 CO 0.58 0.12 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.37 3hg3 s MET 42 N -1.54 2.17 0.00 4.92 -1.94 -1.26 -0.34 119.30 121.30 3hg3 s MET 42 Ca 0.52 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 3hg3 s MET 42 Cb -0.42 -1.87 0.00 0.00 2.01 0.00 0.00 34.83 34.55 3hg3 s MET 42 CO 0.53 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 176.28 3hg3 n GLY 43 N 2.99 0.95 2.92 -0.03 0.00 -0.05 -1.43 105.19 110.53 3hg3 n GLY 43 Ca -0.17 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.16 0.33 -0.02 1.61 -0.00 0.91 -1.11 118.94 119.50 3hg3 s TRP 44 Ca 0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 56.10 56.05 3hg3 s TRP 44 Cb 0.00 -0.24 0.01 0.00 -0.00 0.00 0.00 33.47 33.24 3hg3 s TRP 44 CO 0.00 -0.02 -0.02 -1.17 -0.00 0.00 0.00 176.95 175.74 3hg3 s LEU 45 N 0.05 1.62 0.49 5.86 2.96 0.46 -0.02 118.68 130.09 3hg3 s LEU 45 Ca -0.00 -0.06 0.29 0.00 -0.22 0.00 0.00 54.13 54.14 3hg3 s LEU 45 Cb -0.03 -0.23 0.90 0.00 0.50 0.00 0.00 46.19 47.34 3hg3 s LEU 45 CO -0.00 -0.02 1.81 1.12 -1.32 0.00 0.00 176.35 177.94 3hg3 h HIS 46 N 6.63 0.00 0.63 5.38 2.07 -1.82 -3.36 115.15 124.68 3hg3 h HIS 46 Ca -0.34 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.15 3hg3 h HIS 46 Cb 1.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 3hg3 h HIS 46 CO 0.46 0.00 -0.48 2.35 -3.07 0.00 0.00 177.93 177.19 3hg3 h TRP 47 N 0.00 -1.30 -0.67 6.12 2.91 -1.89 -0.14 115.95 120.98 3hg3 h TRP 47 Ca 0.00 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 3hg3 h TRP 47 Cb 0.73 0.48 -0.06 0.00 -0.51 0.00 0.00 29.16 29.80 3hg3 h TRP 47 CO 0.00 -0.68 0.36 1.49 -1.03 0.00 0.00 178.44 178.59 3hg3 h GLU 48 N -1.07 0.65 0.22 2.65 4.22 -1.89 0.28 114.58 119.64 3hg3 h GLU 48 Ca -0.08 -0.04 -0.33 0.00 0.08 0.00 0.00 59.36 58.99 3hg3 h GLU 48 Cb 0.89 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 30.02 3hg3 h GLU 48 CO 0.02 0.43 -1.48 -0.09 -2.18 0.00 0.00 179.01 175.72 3hg3 h ARG 49 N 0.67 0.47 0.00 1.92 9.65 -1.74 -3.40 114.38 121.94 3hg3 h ARG 49 Ca 0.30 -0.80 -0.07 0.00 -1.10 0.00 0.00 59.98 58.31 3hg3 h ARG 49 Cb 0.21 0.30 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3hg3 h ARG 49 CO -0.19 1.38 -1.62 1.19 2.80 0.00 0.00 179.97 183.53 3hg3 n PHE 50 N -3.66 0.00 -2.25 2.20 3.72 -0.07 -5.05 117.46 112.35 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 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 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 -2.09 0.00 -2.37 -1.08 2.81 0.98 -3.30 117.12 112.07 3hg3 n MET 51 Ca -0.08 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.49 3hg3 n MET 51 Cb 0.50 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.02 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 -2.66 6.51 0.00 0.00 3.84 -1.21 -4.86 114.94 116.56 3hg3 s ASN 53 Ca 0.49 0.53 0.16 0.00 0.21 0.00 0.00 52.86 54.24 3hg3 s ASN 53 Cb 0.39 -2.55 0.22 0.00 -0.55 0.00 0.00 41.25 38.76 3hg3 s ASN 53 CO -0.25 -1.35 1.12 0.18 -2.79 0.00 0.00 177.10 174.01 3hg3 n LEU 54 N 8.25 2.64 -4.34 3.21 4.77 -1.26 -0.51 117.00 129.75 3hg3 n LEU 54 Ca 0.13 -1.30 -0.44 0.00 -0.03 0.00 0.00 56.01 54.37 3hg3 n LEU 54 Cb 0.49 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hg3 n LEU 54 CO 0.72 0.54 1.41 -0.67 -1.33 0.00 0.00 177.39 178.06 3hg3 n ASP 55 N 0.92 5.27 0.16 -1.43 -0.08 -1.26 -4.76 116.55 115.37 3hg3 n ASP 55 Ca 0.12 -3.02 0.13 0.00 -1.51 0.00 0.00 54.79 50.51 3hg3 n ASP 55 Cb 0.43 -1.53 0.41 0.00 2.34 0.00 0.00 41.12 42.78 3hg3 n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hg3 h GLN 57 N 0.00 -0.26 0.00 0.00 5.75 -1.98 -2.95 115.11 115.67 3hg3 h GLN 57 Ca 0.00 0.02 -0.27 0.00 -0.15 0.00 0.00 58.65 58.24 3hg3 h GLN 57 Cb 0.68 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.24 3hg3 h GLN 57 CO 0.00 0.08 -1.61 0.93 -2.65 0.00 0.00 178.83 175.58 3hg3 h GLU 58 N -0.64 0.00 -2.06 1.69 4.39 -1.97 -3.41 114.58 112.57 3hg3 h GLU 58 Ca -0.03 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.10 3hg3 h GLU 58 Cb 0.46 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.71 3hg3 h GLU 58 CO 0.05 0.52 -0.95 0.39 -1.16 0.00 0.00 179.01 177.86 3hg3 n GLU 59 N -3.06 1.34 0.27 2.33 1.02 -0.24 -4.95 120.64 117.35 3hg3 n GLU 59 Ca -0.15 -3.71 0.14 0.00 -0.02 0.00 0.00 57.16 53.43 3hg3 n GLU 59 Cb 1.02 -1.58 0.73 0.00 -0.02 0.00 0.00 31.44 31.59 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 3.96 0.00 -0.03 3.49 0.13 -1.68 -1.77 132.00 136.10 3hg3 h PRO 60 Ca 0.11 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.06 3hg3 h PRO 60 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3hg3 h PRO 60 CO 0.59 0.11 -0.77 0.38 -0.23 0.00 0.00 178.00 178.07 3hg3 h ASP 61 N 0.00 0.31 -0.01 1.44 3.04 -1.92 -3.36 116.42 115.92 3hg3 h ASP 61 Ca -0.00 -0.22 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 3hg3 h ASP 61 Cb 0.40 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 3hg3 h ASP 61 CO 0.01 0.97 -0.13 -1.20 -2.04 0.00 0.00 179.24 176.85 3hg3 n SER 62 N -3.76 1.21 -4.80 4.15 7.64 -1.02 -4.88 113.62 112.17 3hg3 n SER 62 Ca -0.03 -1.11 -0.32 0.00 1.01 0.00 0.00 58.87 58.42 3hg3 n SER 62 Cb 0.73 0.37 0.03 0.00 -1.01 0.00 0.00 64.21 64.34 3hg3 n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hg3 s ILE 64 N -2.60 3.64 0.11 0.00 -1.09 0.33 -4.74 121.20 116.86 3hg3 s ILE 64 Ca 0.63 0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 59.37 3hg3 s ILE 64 Cb -0.16 -4.64 -0.01 0.00 -1.58 0.00 0.00 42.46 36.06 3hg3 s ILE 64 CO 0.43 -1.57 0.17 -0.94 -1.23 0.00 0.00 174.94 171.80 3hg3 s SER 65 N 4.84 0.17 0.35 3.58 1.04 -1.26 -4.84 113.70 117.59 3hg3 s SER 65 Ca 0.44 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 56.07 3hg3 s SER 65 Cb -0.09 0.34 0.69 0.00 0.10 0.00 0.00 66.02 67.07 3hg3 s SER 65 CO 0.17 -0.76 1.97 1.05 0.98 0.00 0.00 173.24 176.64 3hg3 h GLU 66 N 2.76 0.79 -0.68 4.02 4.11 -1.36 -2.17 114.58 122.04 3hg3 h GLU 66 Ca -0.33 -0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.08 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 0.55 0.52 0.42 -0.22 0.07 0.00 0.00 179.01 180.35 3hg3 h LYS 67 N 0.81 0.78 -0.43 1.06 3.64 -1.95 -0.77 116.57 119.71 3hg3 h LYS 67 Ca 0.30 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 3hg3 h LYS 67 Cb 0.17 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3hg3 h LYS 67 CO -0.10 0.52 0.10 1.25 -2.27 0.00 0.00 179.45 178.95 3hg3 h LEU 68 N 0.81 0.04 -0.39 5.20 5.85 -1.68 -1.41 115.31 123.72 3hg3 h LEU 68 Ca 0.28 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.89 3hg3 h LEU 68 Cb 0.05 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3hg3 h LEU 68 CO -0.12 0.06 -0.62 -0.26 -0.34 0.00 0.00 178.44 177.15 3hg3 h PHE 69 N 0.24 0.82 -0.78 1.25 0.04 -1.39 -2.17 116.94 114.95 3hg3 h PHE 69 Ca 0.21 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3hg3 h PHE 69 Cb 0.25 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 3hg3 h PHE 69 CO -0.20 1.09 0.39 0.52 -0.60 0.00 0.00 178.31 179.51 3hg3 h MET 70 N 0.47 1.12 -0.48 1.51 2.86 -0.96 -0.41 114.93 119.04 3hg3 h MET 70 Ca -0.01 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 3hg3 h MET 70 Cb 1.20 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3hg3 h MET 70 CO 0.12 0.86 0.16 0.93 1.06 0.00 0.00 176.91 180.04 3hg3 h GLU 71 N 1.10 0.74 -0.75 1.72 5.08 -1.17 -1.92 114.58 119.38 3hg3 h GLU 71 Ca 0.27 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3hg3 h GLU 71 Cb 0.10 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3hg3 h GLU 71 CO -0.04 0.70 0.25 0.52 -1.00 0.00 0.00 179.01 179.44 3hg3 h MET 72 N 0.64 1.16 -0.25 2.33 2.86 -1.16 -2.16 114.93 118.35 3hg3 h MET 72 Ca 0.16 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3hg3 h MET 72 Cb 0.26 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3hg3 h MET 72 CO -0.01 0.98 0.14 0.00 1.06 0.00 0.00 176.91 179.08 3hg3 h ALA 73 N 1.13 0.30 -0.40 6.32 0.00 -0.91 0.14 119.26 125.83 3hg3 h ALA 73 Ca 0.24 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3hg3 h ALA 73 Cb 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hg3 h ALA 73 CO -0.01 -0.26 0.21 0.93 0.00 0.00 0.00 179.25 180.12 3hg3 h GLU 74 N 0.29 0.41 -0.01 0.00 5.08 -1.20 -2.79 114.58 116.36 3hg3 h GLU 74 Ca 0.10 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3hg3 h GLU 74 Cb 0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3hg3 h GLU 74 CO -0.05 0.27 -0.58 -0.07 -1.00 0.00 0.00 179.01 177.58 3hg3 h LEU 75 N 0.42 0.02 -1.27 1.33 3.38 -1.15 -0.41 115.31 117.63 3hg3 h LEU 75 Ca 0.17 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3hg3 h LEU 75 Cb 0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3hg3 h LEU 75 CO -0.11 0.60 0.50 0.24 0.09 0.00 0.00 178.44 179.75 3hg3 h MET 76 N 0.02 0.95 0.20 1.13 2.86 -0.47 0.33 114.93 119.95 3hg3 h MET 76 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3hg3 h MET 76 Cb 1.03 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3hg3 h MET 76 CO 0.08 0.63 -0.10 0.28 1.06 0.00 0.00 176.91 178.86 3hg3 h VAL 77 N 0.98 0.31 0.00 -2.22 2.07 -1.29 0.13 116.25 116.22 3hg3 h VAL 77 Ca 0.28 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3hg3 h VAL 77 Cb -0.06 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3hg3 h VAL 77 CO -0.07 0.09 -0.32 0.77 0.02 0.00 0.00 177.57 178.06 3hg3 h SER 78 N -1.03 0.00 -0.67 0.57 4.64 -0.96 -2.79 113.55 113.31 3hg3 h SER 78 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hg3 h SER 78 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hg3 h SER 78 CO 0.05 0.32 0.00 -0.62 -0.87 0.00 0.00 176.83 175.71 3hg3 n GLU 79 N -3.83 3.52 -0.93 4.77 -0.58 0.09 -4.95 120.64 118.74 3hg3 n GLU 79 Ca -0.01 -2.83 0.00 0.00 -0.42 0.00 0.00 57.16 53.90 3hg3 n GLU 79 Cb 0.40 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 1.28 0.59 0.11 0.62 0.00 -1.05 -4.95 105.19 101.78 3hg3 n GLY 80 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.26 -0.51 1.61 4.06 -1.53 -1.95 115.95 117.90 3hg3 h TRP 81 Ca 0.00 -0.04 0.06 0.00 2.06 0.00 0.00 58.89 60.96 3hg3 h TRP 81 Cb 0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 28.04 3hg3 h TRP 81 CO 0.00 0.46 0.22 -0.22 -3.56 0.00 0.00 178.44 175.34 3hg3 h LYS 82 N -0.01 0.41 -0.48 0.49 3.64 -0.79 -1.61 116.57 118.22 3hg3 h LYS 82 Ca 0.04 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3hg3 h LYS 82 Cb 0.35 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hg3 h LYS 82 CO 0.01 0.27 0.32 -0.44 -2.27 0.00 0.00 179.45 177.34 3hg3 h ASP 83 N 0.43 0.46 1.41 4.20 3.32 -1.78 -1.38 116.42 123.06 3hg3 h ASP 83 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3hg3 h ASP 83 Cb 0.20 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hg3 h ASP 83 CO -0.20 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 3hg3 h ALA 84 N 1.72 1.00 0.00 3.45 0.00 -0.52 -3.47 119.26 121.45 3hg3 h ALA 84 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hg3 h ALA 84 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 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 0.73 1.25 3.59 0.00 0.00 -0.52 -5.03 105.19 105.22 3hg3 n GLY 85 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.37 2.47 0.00 1.61 2.02 -0.70 -4.62 117.35 116.76 3hg3 s TYR 86 Ca 0.00 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 3hg3 s TYR 86 Cb 0.00 -4.39 0.00 0.00 -0.40 0.00 0.00 41.96 37.17 3hg3 s TYR 86 CO 0.00 -1.79 0.00 -0.85 -1.57 0.00 0.00 175.55 171.34 3hg3 n GLU 87 N 8.26 1.10 -3.28 -0.62 0.28 -0.52 -3.35 120.64 122.52 3hg3 n GLU 87 Ca 0.13 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.70 3hg3 n GLU 87 Cb 0.49 -0.91 -0.08 0.00 1.43 0.00 0.00 31.44 32.37 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 -1.68 3.15 -0.37 -1.84 2.02 -0.84 -0.47 117.35 117.32 3hg3 s TYR 88 Ca 0.00 -0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.16 3hg3 s TYR 88 Cb 0.00 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.56 3hg3 s TYR 88 CO 0.00 -0.75 0.63 -1.17 -1.57 0.00 0.00 175.55 172.69 3hg3 s LEU 89 N 2.27 4.29 -0.10 -1.29 2.96 0.77 -0.07 118.68 127.51 3hg3 s LEU 89 Ca 0.14 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3hg3 s LEU 89 Cb -0.17 -2.77 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 3hg3 s LEU 89 CO 0.14 -0.61 -0.21 0.00 -1.32 0.00 0.00 176.35 174.35 3hg3 s ILE 91 N 0.29 5.07 0.00 0.00 1.01 0.05 -3.03 121.20 124.60 3hg3 s ILE 91 Ca -0.15 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.69 3hg3 s ILE 91 Cb -0.17 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3hg3 s ILE 91 CO 0.08 0.33 0.00 -0.67 0.00 0.00 0.00 174.94 174.67 3hg3 n ASP 92 N 3.45 0.00 -4.65 3.58 -0.08 -1.26 -3.12 116.55 114.48 3hg3 n ASP 92 Ca -0.05 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.93 3hg3 n ASP 92 Cb 0.51 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.15 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 2.66 -0.29 1.67 -1.08 -1.26 -4.25 116.67 113.12 3hg3 s ASP 93 Ca 0.00 2.01 -0.00 0.00 -0.52 0.00 0.00 52.55 54.04 3hg3 s ASP 93 Cb 0.00 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3hg3 s ASP 93 CO 0.00 -3.24 0.05 0.00 0.52 0.00 0.00 175.17 172.50 3hg3 n TRP 95 N -3.74 0.08 -2.72 0.00 4.27 -1.26 -4.90 117.44 109.17 3hg3 n TRP 95 Ca -0.03 0.02 -0.32 0.00 -3.89 0.00 0.00 57.50 53.28 3hg3 n TRP 95 Cb 0.53 -0.48 -0.05 0.00 -1.36 0.00 0.00 31.31 29.95 3hg3 n TRP 95 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 3hg3 s MET 96 N -3.45 3.98 0.75 -2.67 -1.94 -1.26 -1.00 119.30 113.71 3hg3 s MET 96 Ca -0.06 0.83 -0.11 0.00 -1.71 0.00 0.00 55.69 54.65 3hg3 s MET 96 Cb 0.14 -2.25 0.04 0.00 2.01 0.00 0.00 34.83 34.77 3hg3 s MET 96 CO 0.89 -0.09 1.09 0.00 -0.01 0.00 0.00 175.02 176.90 3hg3 s ALA 97 N -2.36 2.35 0.49 3.03 0.00 0.13 -4.29 121.76 121.12 3hg3 s ALA 97 Ca 0.57 0.26 0.22 0.00 0.00 0.00 0.00 51.96 53.01 3hg3 s ALA 97 Cb -0.10 -3.26 1.36 0.00 0.00 0.00 0.00 23.12 21.12 3hg3 s ALA 97 CO 0.25 -1.62 2.10 -1.35 0.00 0.00 0.00 175.76 175.14 3hg3 h PRO 98 N -0.94 0.00 -5.34 0.00 0.11 -1.96 -3.42 132.00 120.45 3hg3 h PRO 98 Ca -0.44 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.27 3hg3 h PRO 98 Cb 1.23 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 3hg3 h PRO 98 CO 0.53 0.09 -0.72 -0.65 -0.21 0.00 0.00 178.00 177.04 3hg3 s GLN 99 N -4.60 1.25 0.60 1.05 -1.52 -1.26 -4.50 119.66 110.69 3hg3 s GLN 99 Ca -0.04 -1.56 -0.13 0.00 -1.95 0.00 0.00 55.36 51.68 3hg3 s GLN 99 Cb 0.15 -0.90 -0.04 0.00 -0.22 0.00 0.00 33.01 32.00 3hg3 s GLN 99 CO 0.63 0.11 1.03 1.03 -0.25 0.00 0.00 175.29 177.84 3hg3 s ARG 100 N -3.71 3.51 1.05 2.91 0.52 -1.26 -4.36 118.95 117.61 3hg3 s ARG 100 Ca 0.21 0.93 -0.18 0.00 -0.52 0.00 0.00 55.73 56.18 3hg3 s ARG 100 Cb 0.01 -2.07 0.24 0.00 0.52 0.00 0.00 34.95 33.65 3hg3 s ARG 100 CO 0.05 -0.64 1.29 0.16 0.02 0.00 0.00 175.30 176.18 3hg3 s ASP 101 N -3.55 2.32 0.00 0.23 1.47 0.02 -4.87 116.67 112.30 3hg3 s ASP 101 Ca 0.58 0.27 0.15 0.00 1.18 0.00 0.00 52.55 54.74 3hg3 s ASP 101 Cb -0.12 -0.29 0.69 0.00 -0.34 0.00 0.00 42.92 42.85 3hg3 s ASP 101 CO 0.45 -3.22 1.48 -1.54 0.68 0.00 0.00 175.17 173.02 3hg3 n SER 102 N -4.10 0.00 -1.32 2.11 3.41 -1.26 -0.68 113.62 111.78 3hg3 n SER 102 Ca 0.16 0.41 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3hg3 n SER 102 Cb 0.59 -0.46 0.30 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.46 2.68 -1.07 4.33 -0.58 -1.26 -4.96 120.64 118.34 3hg3 n GLU 103 Ca 0.04 -2.59 -0.02 0.00 -0.42 0.00 0.00 57.16 54.17 3hg3 n GLU 103 Cb 0.17 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 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 1.63 0.57 3.84 0.62 0.00 0.14 -5.03 105.19 106.96 3hg3 n GLY 104 Ca 0.23 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.67 4.00 0.51 1.61 0.52 -1.26 -4.79 118.95 117.87 3hg3 s ARG 105 Ca 0.00 0.53 -0.23 0.00 -0.52 0.00 0.00 55.73 55.51 3hg3 s ARG 105 Cb 0.00 -2.83 -0.06 0.00 0.52 0.00 0.00 34.95 32.58 3hg3 s ARG 105 CO 0.00 0.41 1.39 -0.51 0.02 0.00 0.00 175.30 176.61 3hg3 s LEU 106 N -2.19 3.96 -0.03 2.53 1.43 -1.26 -0.80 118.68 122.32 3hg3 s LEU 106 Ca 0.42 2.84 0.07 0.00 -1.03 0.00 0.00 54.13 56.42 3hg3 s LEU 106 Cb -0.14 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 41.93 3hg3 s LEU 106 CO 0.20 -1.41 -0.23 -1.10 0.23 0.00 0.00 176.35 174.03 3hg3 s GLN 107 N -2.72 1.98 0.42 1.70 -0.21 -1.26 -4.83 119.66 114.74 3hg3 s GLN 107 Ca 0.67 -0.82 -0.25 0.00 0.02 0.00 0.00 55.36 54.98 3hg3 s GLN 107 Cb -0.42 -1.85 -0.08 0.00 1.00 0.00 0.00 33.01 31.66 3hg3 s GLN 107 CO 0.51 0.46 1.19 0.00 -2.12 0.00 0.00 175.29 175.34 3hg3 s ALA 108 N -0.44 3.12 0.12 6.09 0.00 -1.26 0.23 121.76 129.62 3hg3 s ALA 108 Ca 0.06 1.01 -0.34 0.00 0.00 0.00 0.00 51.96 52.69 3hg3 s ALA 108 Cb -0.10 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.49 3hg3 s ALA 108 CO 0.00 -0.62 1.66 -3.47 0.00 0.00 0.00 175.76 173.33 3hg3 n ASP 109 N -0.08 3.30 0.22 0.00 2.03 -0.17 -4.28 116.55 117.57 3hg3 n ASP 109 Ca 0.05 1.06 0.06 0.00 0.52 0.00 0.00 54.79 56.47 3hg3 n ASP 109 Cb 0.46 -1.44 0.51 0.00 -0.72 0.00 0.00 41.12 39.93 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 6.73 0.00 0.00 -0.67 0.13 -1.92 0.14 132.00 136.41 3hg3 h PRO 110 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 3hg3 h PRO 110 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 3hg3 h PRO 110 CO 0.91 0.19 -2.07 0.00 -0.23 0.00 0.00 178.00 176.80 3hg3 n GLN 111 N -4.27 0.67 -0.02 0.86 10.64 -1.26 -3.27 117.38 120.72 3hg3 n GLN 111 Ca -0.02 -0.10 -0.02 0.00 -1.83 0.00 0.00 57.00 55.03 3hg3 n GLN 111 Cb 0.25 -1.55 -0.13 0.00 -0.86 0.00 0.00 30.24 27.96 3hg3 n GLN 111 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3hg3 n ARG 112 N -2.47 0.65 -3.10 2.61 1.74 -1.20 -4.46 116.66 110.42 3hg3 n ARG 112 Ca -0.14 0.08 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 3hg3 n ARG 112 Cb 0.78 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.74 2.35 0.26 -1.55 3.72 0.49 -0.87 117.46 119.12 3hg3 n PHE 113 Ca -0.16 -3.92 0.12 0.00 -0.05 0.00 0.00 57.45 53.44 3hg3 n PHE 113 Cb 0.90 -0.46 0.73 0.00 -0.94 0.00 0.00 39.48 39.71 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 3.21 0.00 -0.01 -1.08 0.13 -1.68 -1.83 132.00 130.74 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 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3hg3 h PRO 114 CO 0.69 0.11 -0.28 0.72 -0.23 0.00 0.00 178.00 179.01 3hg3 n HIS 115 N -3.74 0.00 0.00 1.56 8.25 -1.26 -5.03 115.22 115.00 3hg3 n HIS 115 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3hg3 n HIS 115 Cb 0.22 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 1.35 -1.56 0.21 -1.41 0.00 -0.69 -4.19 105.19 98.89 3hg3 n GLY 116 Ca 0.12 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 1.33 -0.14 -0.61 1.08 -1.97 -3.06 117.51 114.13 3hg3 h ILE 117 Ca 0.00 -1.85 0.03 0.00 -0.39 0.00 0.00 64.86 62.65 3hg3 h ILE 117 Cb 0.00 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 3hg3 h ILE 117 CO 0.00 0.57 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.91 3hg3 h ARG 118 N 0.42 0.00 -0.61 2.37 2.43 -1.84 0.25 114.38 117.41 3hg3 h ARG 118 Ca -0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3hg3 h ARG 118 Cb 1.14 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3hg3 h ARG 118 CO 0.11 0.00 0.25 1.96 -1.51 0.00 0.00 179.97 180.78 3hg3 h GLN 119 N 0.00 0.88 -0.34 0.20 4.20 -1.73 -0.16 115.11 118.17 3hg3 h GLN 119 Ca 0.07 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3hg3 h GLN 119 Cb 0.10 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3hg3 h GLN 119 CO -0.14 0.72 0.14 1.25 -0.67 0.00 0.00 178.83 180.12 3hg3 h LEU 120 N 0.87 0.47 -0.56 1.46 5.85 -1.30 -0.91 115.31 121.19 3hg3 h LEU 120 Ca 0.21 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3hg3 h LEU 120 Cb 0.16 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hg3 h LEU 120 CO -0.02 0.51 0.36 0.00 -0.34 0.00 0.00 178.44 178.94 3hg3 h ALA 121 N 0.98 0.72 -0.64 1.25 0.00 -0.03 0.15 119.26 121.69 3hg3 h ALA 121 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hg3 h ALA 121 Cb 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3hg3 h ALA 121 CO -0.01 0.10 0.41 -0.91 0.00 0.00 0.00 179.25 178.85 3hg3 h ASN 122 N 0.71 0.69 -0.24 0.00 -0.26 -0.92 0.69 115.58 116.26 3hg3 h ASN 122 Ca 0.22 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 3hg3 h ASN 122 Cb -0.03 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 3hg3 h ASN 122 CO -0.07 0.49 0.12 0.22 -1.06 0.00 0.00 177.43 177.13 3hg3 h TYR 123 N 0.82 0.34 -0.49 1.19 3.20 -0.68 -0.98 116.97 120.37 3hg3 h TYR 123 Ca 0.25 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3hg3 h TYR 123 Cb -0.04 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3hg3 h TYR 123 CO -0.04 0.32 0.27 0.28 -1.64 0.00 0.00 178.16 177.35 3hg3 h VAL 124 N 0.26 1.17 -0.51 1.81 2.07 -0.76 -2.78 116.25 117.51 3hg3 h VAL 124 Ca 0.08 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3hg3 h VAL 124 Cb 0.10 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3hg3 h VAL 124 CO -0.01 0.18 0.14 0.45 0.02 0.00 0.00 177.57 178.34 3hg3 h HIS 125 N 0.65 0.78 0.00 1.57 3.86 -0.73 -1.96 115.15 119.32 3hg3 h HIS 125 Ca 0.17 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3hg3 h HIS 125 Cb 0.05 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 3hg3 h HIS 125 CO -0.02 0.65 -0.03 0.66 0.86 0.00 0.00 177.93 180.05 3hg3 h SER 126 N 0.74 0.00 -0.04 2.45 4.64 -0.90 -0.75 113.55 119.69 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 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3hg3 h SER 126 CO -0.00 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3hg3 n LYS 127 N -3.29 1.66 -1.39 4.77 4.76 -0.86 -4.92 118.16 118.88 3hg3 n LYS 127 Ca -0.02 -0.96 -0.05 0.00 -2.87 0.00 0.00 58.31 54.41 3hg3 n LYS 127 Cb 0.17 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 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 1.16 0.62 3.87 0.72 0.00 -0.29 -4.94 105.19 106.34 3hg3 n GLY 128 Ca 0.19 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.26 3.16 0.14 0.99 1.43 -0.79 -5.02 118.68 117.32 3hg3 s LEU 129 Ca 0.00 -0.93 0.11 0.00 -1.03 0.00 0.00 54.13 52.27 3hg3 s LEU 129 Cb 0.00 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3hg3 s LEU 129 CO 0.00 -0.78 -0.25 -0.54 0.23 0.00 0.00 176.35 175.01 3hg3 s LYS 130 N -4.15 1.38 -0.16 1.70 1.02 0.38 -3.70 119.74 116.20 3hg3 s LYS 130 Ca 0.44 -1.36 -0.05 0.00 0.02 0.00 0.00 55.97 55.02 3hg3 s LYS 130 Cb -0.02 -1.79 -0.03 0.00 -0.52 0.00 0.00 37.83 35.46 3hg3 s LYS 130 CO 0.26 0.42 0.01 -1.17 -0.92 0.00 0.00 175.35 173.95 3hg3 s LEU 131 N -2.17 3.54 0.02 3.17 2.96 -1.26 -0.17 118.68 124.78 3hg3 s LEU 131 Ca 0.14 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3hg3 s LEU 131 Cb -0.09 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3hg3 s LEU 131 CO 0.06 0.18 0.06 -0.83 -1.32 0.00 0.00 176.35 174.51 3hg3 s GLY 132 N 0.30 1.99 0.39 7.98 0.00 0.55 -0.30 107.32 118.22 3hg3 s GLY 132 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.83 3hg3 s GLY 132 CO 0.02 -0.84 0.15 -1.50 0.00 0.00 0.00 173.10 170.93 3hg3 s ILE 133 N -1.23 0.50 -0.01 0.90 2.07 0.09 -0.77 121.20 122.75 3hg3 s ILE 133 Ca 0.24 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.50 3hg3 s ILE 133 Cb -0.12 -2.39 -0.00 0.00 0.13 0.00 0.00 42.46 40.08 3hg3 s ILE 133 CO 0.16 0.00 -0.08 -0.47 -1.91 0.00 0.00 174.94 172.64 3hg3 s TYR 134 N -3.28 0.74 0.34 3.50 5.04 -1.18 -1.01 117.35 121.50 3hg3 s TYR 134 Ca 0.27 -0.15 -0.04 0.00 -2.44 0.00 0.00 57.07 54.71 3hg3 s TYR 134 Cb 0.03 -0.49 0.01 0.00 0.35 0.00 0.00 41.96 41.85 3hg3 s TYR 134 CO 0.17 -0.03 0.50 0.00 -1.34 0.00 0.00 175.55 174.85 3hg3 s ALA 135 N -0.10 0.57 -0.01 3.97 0.00 -0.59 -4.94 121.76 120.67 3hg3 s ALA 135 Ca 0.02 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3hg3 s ALA 135 Cb -0.04 1.10 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 3hg3 s ALA 135 CO -0.00 -0.81 -0.08 0.34 0.00 0.00 0.00 175.76 175.21 3hg3 s ASP 136 N -3.21 0.91 0.49 0.00 2.15 -1.26 -0.86 116.67 114.88 3hg3 s ASP 136 Ca 0.29 -0.14 0.27 0.00 0.43 0.00 0.00 52.55 53.40 3hg3 s ASP 136 Cb -0.01 -0.11 1.14 0.00 -0.30 0.00 0.00 42.92 43.65 3hg3 s ASP 136 CO 0.19 0.09 1.91 1.62 -0.17 0.00 0.00 175.17 178.82 3hg3 h VAL 137 N 4.97 0.41 -2.28 1.11 3.04 -1.24 0.82 116.25 123.08 3hg3 h VAL 137 Ca -0.30 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 3hg3 h VAL 137 Cb 1.18 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 3hg3 h VAL 137 CO 0.50 0.15 0.00 0.61 -1.01 0.00 0.00 177.57 177.81 3hg3 n GLY 138 N -0.03 0.90 0.21 3.17 0.00 -1.24 -3.36 105.19 104.84 3hg3 n GLY 138 Ca -0.00 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 -5.10 1.61 2.35 -1.58 -2.52 115.58 110.34 3hg3 h ASN 139 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3hg3 h ASN 139 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 3hg3 h ASN 139 CO 0.00 0.18 -0.52 -0.54 -1.65 0.00 0.00 177.43 174.89 3hg3 s LYS 140 N -3.27 0.60 0.82 0.81 1.02 -1.26 -1.55 119.74 116.91 3hg3 s LYS 140 Ca 0.04 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 3hg3 s LYS 140 Cb 0.07 0.24 0.08 0.00 -0.52 0.00 0.00 37.83 37.70 3hg3 s LYS 140 CO 0.67 -0.15 1.09 0.95 -0.92 0.00 0.00 175.35 176.99 3hg3 s THR 141 N -2.77 3.10 0.44 2.17 -4.23 0.95 -4.45 115.64 110.84 3hg3 s THR 141 Ca -0.04 0.36 0.16 0.00 -1.18 0.00 0.00 61.69 60.99 3hg3 s THR 141 Cb -0.00 -2.88 0.35 0.00 1.34 0.00 0.00 72.50 71.31 3hg3 s THR 141 CO -0.05 -0.47 1.93 0.00 -0.54 0.00 0.00 174.62 175.49 3hg3 n ALA 143 N -2.53 2.74 0.00 0.00 0.00 -1.26 -4.93 120.51 114.53 3hg3 n ALA 143 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3hg3 n ALA 143 Cb 0.51 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.23 1.04 3.97 0.00 0.00 0.50 -5.07 105.19 106.86 3hg3 n GLY 144 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 2.17 0.16 1.61 0.08 -1.26 -4.74 117.98 114.00 3hg3 s PHE 145 Ca 0.00 0.02 -0.34 0.00 0.12 0.00 0.00 56.93 56.73 3hg3 s PHE 145 Cb 0.00 -3.12 -0.14 0.00 -0.57 0.00 0.00 43.02 39.19 3hg3 s PHE 145 CO 0.00 -1.57 1.59 -2.30 -0.10 0.00 0.00 175.22 172.84 3hg3 n PRO 146 N -2.86 2.16 -2.32 0.24 -0.02 -1.26 -0.04 135.00 130.90 3hg3 n PRO 146 Ca 0.12 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 62.12 3hg3 n PRO 146 Cb 0.60 -2.55 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.00 1.67 0.00 -1.23 0.00 -0.60 -4.19 107.32 103.97 3hg3 s GLY 147 Ca 0.79 -0.87 0.23 0.00 0.00 0.00 0.00 44.72 44.87 3hg3 s GLY 147 CO 0.38 -0.53 1.19 1.44 0.00 0.00 0.00 173.10 175.58 3hg3 n SER 148 N -2.73 1.04 -4.65 1.64 7.64 0.28 -4.81 113.62 112.03 3hg3 n SER 148 Ca 0.07 -0.85 -0.48 0.00 1.01 0.00 0.00 58.87 58.62 3hg3 n SER 148 Cb 0.59 0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 64.30 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 -1.11 2.10 -0.53 1.43 7.35 -0.98 -0.10 117.46 125.61 3hg3 n PHE 149 Ca 0.07 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 3hg3 n PHE 149 Cb 0.36 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.69 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 3.27 1.37 0.35 7.13 0.00 -1.26 -4.83 105.19 111.23 3hg3 n GLY 150 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.10 1.61 4.01 0.85 -4.93 117.16 116.60 3hg3 n TYR 151 Ca 0.00 -0.18 -0.06 0.00 -0.16 0.00 0.00 57.90 57.50 3hg3 n TYR 151 Cb 0.00 -0.06 0.01 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.05 -0.29 -0.72 0.05 -1.79 0.14 116.97 114.30 3hg3 h TYR 152 Ca 0.00 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 3hg3 h TYR 152 Cb 1.26 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 3hg3 h TYR 152 CO 0.07 -0.08 0.03 -0.44 -1.05 0.00 0.00 178.16 176.69 3hg3 h ASP 153 N 0.08 0.48 -0.49 3.88 3.32 -1.91 -0.85 116.42 120.93 3hg3 h ASP 153 Ca 0.17 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3hg3 h ASP 153 Cb 0.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3hg3 h ASP 153 CO -0.30 0.64 0.32 0.40 -1.72 0.00 0.00 179.24 178.59 3hg3 h ILE 154 N 0.31 1.12 -0.43 0.35 2.04 -1.86 -1.73 117.51 117.31 3hg3 h ILE 154 Ca 0.09 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3hg3 h ILE 154 Cb 0.37 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3hg3 h ILE 154 CO 0.01 0.12 -0.13 0.44 0.00 0.00 0.00 178.15 178.59 3hg3 h ASP 155 N 0.66 0.87 -0.51 1.72 3.45 -0.62 -0.23 116.42 121.75 3hg3 h ASP 155 Ca 0.18 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.27 3hg3 h ASP 155 Cb -0.08 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.43 3hg3 h ASP 155 CO -0.04 1.04 0.33 0.00 -1.57 0.00 0.00 179.24 179.00 3hg3 h ALA 156 N 0.85 0.65 -0.38 3.45 0.00 -1.08 -0.66 119.26 122.10 3hg3 h ALA 156 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3hg3 h ALA 156 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hg3 h ALA 156 CO 0.05 0.11 -0.28 0.37 0.00 0.00 0.00 179.25 179.50 3hg3 h GLN 157 N 0.69 0.80 -0.29 0.00 5.75 -1.21 -1.55 115.11 119.31 3hg3 h GLN 157 Ca 0.19 -0.36 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3hg3 h GLN 157 Cb -0.05 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3hg3 h GLN 157 CO -0.04 0.98 0.15 1.15 -2.65 0.00 0.00 178.83 178.42 3hg3 h THR 158 N 0.68 1.00 -0.32 2.39 2.02 -0.76 -1.08 112.91 116.84 3hg3 h THR 158 Ca 0.08 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3hg3 h THR 158 Cb 0.82 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3hg3 h THR 158 CO 0.07 0.06 0.08 -0.26 0.37 0.00 0.00 175.52 175.84 3hg3 h PHE 159 N 0.31 0.53 -0.51 3.16 0.04 -0.99 -2.21 116.94 117.27 3hg3 h PHE 159 Ca 0.12 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3hg3 h PHE 159 Cb 0.03 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3hg3 h PHE 159 CO -0.09 0.55 0.32 0.00 -0.60 0.00 0.00 178.31 178.49 3hg3 h ALA 160 N 0.92 0.65 -0.35 2.45 0.00 -1.18 -1.25 119.26 120.50 3hg3 h ALA 160 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hg3 h ALA 160 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hg3 h ALA 160 CO 0.00 0.13 -0.01 -0.44 0.00 0.00 0.00 179.25 178.93 3hg3 h ASP 161 N 0.69 0.51 0.63 0.00 5.19 -1.13 -1.70 116.42 120.60 3hg3 h ASP 161 Ca 0.18 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3hg3 h ASP 161 Cb -0.03 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 3hg3 h ASP 161 CO -0.04 0.59 -0.16 -0.50 -3.12 0.00 0.00 179.24 176.01 3hg3 h TRP 162 N 0.52 0.00 0.00 4.55 6.55 -1.05 -3.47 115.95 123.05 3hg3 h TRP 162 Ca 0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.95 3hg3 h TRP 162 Cb 0.35 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 3hg3 h TRP 162 CO 0.01 0.16 0.00 0.41 -1.05 0.00 0.00 178.44 177.97 3hg3 n GLY 163 N -0.30 0.94 3.78 1.49 0.00 -0.64 -4.55 105.19 105.91 3hg3 n GLY 163 Ca -0.01 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3hg3 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg3 s VAL 164 N -2.00 2.03 -0.21 1.61 1.01 -0.52 -4.73 120.40 117.60 3hg3 s VAL 164 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3hg3 s VAL 164 Cb 0.00 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 3hg3 s VAL 164 CO 0.00 0.01 0.22 0.47 0.00 0.00 0.00 175.10 175.79 3hg3 n ASP 165 N 0.40 1.08 -3.74 3.32 8.00 0.59 -4.74 116.55 121.46 3hg3 n ASP 165 Ca 0.01 -0.48 -0.13 0.00 0.71 0.00 0.00 54.79 54.90 3hg3 n ASP 165 Cb 0.39 1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 42.46 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 -2.55 0.49 -0.12 0.64 0.20 -0.88 -0.80 118.68 115.66 3hg3 s LEU 166 Ca 0.01 0.77 0.02 0.00 0.69 0.00 0.00 54.13 55.62 3hg3 s LEU 166 Cb 0.04 1.37 0.02 0.00 -0.43 0.00 0.00 46.19 47.18 3hg3 s LEU 166 CO 0.24 -0.15 -0.16 -0.22 -0.29 0.00 0.00 176.35 175.76 3hg3 s LEU 167 N 0.14 1.79 -0.23 -0.68 2.96 0.58 -0.73 118.68 122.51 3hg3 s LEU 167 Ca -0.01 -0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 3hg3 s LEU 167 Cb -0.03 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 3hg3 s LEU 167 CO 0.01 0.01 0.40 -0.75 -1.32 0.00 0.00 176.35 174.70 3hg3 s LYS 168 N 1.05 4.11 -0.27 1.98 2.20 -0.18 -0.80 119.74 127.84 3hg3 s LYS 168 Ca -0.04 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.74 3hg3 s LYS 168 Cb -0.15 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.65 3hg3 s LYS 168 CO -0.03 -0.14 -0.09 0.12 -0.36 0.00 0.00 175.35 174.84 3hg3 s PHE 169 N 1.65 3.27 0.44 4.03 5.36 0.33 -1.54 117.98 131.51 3hg3 s PHE 169 Ca 0.18 -2.26 -0.01 0.00 -0.96 0.00 0.00 56.93 53.88 3hg3 s PHE 169 Cb -0.15 -1.97 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 3hg3 s PHE 169 CO 0.09 -0.87 0.67 0.00 -1.46 0.00 0.00 175.22 173.65 3hg3 s ALA 170 N 1.12 3.66 -0.38 11.12 0.00 -0.04 -2.67 121.76 134.57 3hg3 s ALA 170 Ca -0.08 -0.92 0.15 0.00 0.00 0.00 0.00 51.96 51.10 3hg3 s ALA 170 Cb -0.20 -2.22 0.44 0.00 0.00 0.00 0.00 23.12 21.14 3hg3 s ALA 170 CO -0.04 -0.31 1.35 0.41 0.00 0.00 0.00 175.76 177.17 3hg3 n GLY 171 N -2.06 3.69 3.78 0.00 0.00 -1.26 -0.80 105.19 108.54 3hg3 n GLY 171 Ca -0.00 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.14 -2.52 -4.37 0.00 4.01 -1.26 -3.60 117.16 107.27 3hg3 n TYR 173 Ca 0.10 0.97 -0.34 0.00 -0.16 0.00 0.00 57.90 58.47 3hg3 n TYR 173 Cb 0.52 -5.01 -0.11 0.00 -0.31 0.00 0.00 39.34 34.43 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 5.96 0.00 -5.03 0.00 2.03 -1.96 -3.47 116.42 113.93 3hg3 h ASP 175 Ca -0.41 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.84 3hg3 h ASP 175 Cb 1.19 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.54 3hg3 h ASP 175 CO 0.59 0.00 0.03 -0.94 -1.03 0.00 0.00 179.24 177.90 3hg3 s SER 176 N -5.57 -0.40 0.39 4.15 1.04 -1.26 -5.04 113.70 107.01 3hg3 s SER 176 Ca 0.08 -0.02 0.17 0.00 0.48 0.00 0.00 55.95 56.66 3hg3 s SER 176 Cb 0.08 0.51 0.78 0.00 0.10 0.00 0.00 66.02 67.49 3hg3 s SER 176 CO 0.64 -0.81 1.80 -0.07 0.98 0.00 0.00 173.24 175.78 3hg3 h LEU 177 N 2.49 0.00 -0.21 2.42 3.38 -1.96 -1.45 115.31 119.98 3hg3 h LEU 177 Ca -0.33 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3hg3 h LEU 177 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hg3 h LEU 177 CO 0.42 0.36 -0.15 -0.08 0.09 0.00 0.00 178.44 179.08 3hg3 h GLU 178 N 0.00 0.48 -0.33 1.13 4.81 -1.99 -1.72 114.58 116.96 3hg3 h GLU 178 Ca -0.00 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 3hg3 h GLU 178 Cb 0.75 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3hg3 h GLU 178 CO 0.05 0.79 -0.13 -0.91 -0.73 0.00 0.00 179.01 178.08 3hg3 h ASN 179 N 0.17 0.55 0.82 1.04 -0.26 -1.94 -1.93 115.58 114.02 3hg3 h ASN 179 Ca 0.04 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.59 3hg3 h ASN 179 Cb 0.68 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 3hg3 h ASN 179 CO 0.04 0.71 -0.45 0.25 -1.06 0.00 0.00 177.43 176.92 3hg3 h LEU 180 N 0.52 -1.10 -0.39 1.61 5.85 -1.16 -0.56 115.31 120.08 3hg3 h LEU 180 Ca 0.09 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3hg3 h LEU 180 Cb 0.53 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3hg3 h LEU 180 CO 0.03 -0.72 0.13 0.00 -0.34 0.00 0.00 178.44 177.54 3hg3 h ALA 181 N -1.04 0.45 -0.91 1.25 0.00 -1.31 -1.72 119.26 115.98 3hg3 h ALA 181 Ca -0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hg3 h ALA 181 Cb 0.92 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3hg3 h ALA 181 CO 0.15 -0.27 0.55 -0.44 0.00 0.00 0.00 179.25 179.24 3hg3 h ASP 182 N 0.28 1.08 -0.32 0.00 3.32 -1.34 -1.80 116.42 117.65 3hg3 h ASP 182 Ca 0.18 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3hg3 h ASP 182 Cb 0.17 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3hg3 h ASP 182 CO -0.19 0.82 -0.05 1.23 -1.72 0.00 0.00 179.24 179.33 3hg3 h GLY 183 N 1.25 0.65 1.01 2.75 0.00 -0.70 0.26 103.07 108.29 3hg3 h GLY 183 Ca 0.33 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3hg3 h GLY 183 CO -0.06 0.47 0.39 -0.97 0.00 0.00 0.00 176.54 176.37 3hg3 h TYR 184 N 0.38 0.97 -0.27 5.60 0.05 -1.13 -1.13 116.97 121.44 3hg3 h TYR 184 Ca 0.09 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 3hg3 h TYR 184 Cb 0.52 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3hg3 h TYR 184 CO 0.05 0.69 0.03 0.87 -1.05 0.00 0.00 178.16 178.74 3hg3 h LYS 185 N 0.97 0.46 -0.15 4.88 1.57 -1.25 -2.29 116.57 120.77 3hg3 h LYS 185 Ca 0.25 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3hg3 h LYS 185 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3hg3 h LYS 185 CO -0.04 0.60 0.06 1.25 -0.57 0.00 0.00 179.45 180.74 3hg3 h HIS 186 N 0.27 0.10 -0.78 -1.35 2.76 -0.75 -1.69 115.15 113.71 3hg3 h HIS 186 Ca 0.08 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 3hg3 h HIS 186 Cb 0.37 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 3hg3 h HIS 186 CO 0.03 0.05 0.30 1.98 -1.30 0.00 0.00 177.93 178.99 3hg3 h MET 187 N 0.13 1.16 -0.31 5.26 1.85 -1.24 0.55 114.93 122.34 3hg3 h MET 187 Ca 0.06 -0.21 0.05 0.00 -0.61 0.00 0.00 59.70 58.99 3hg3 h MET 187 Cb 0.03 -0.19 -0.04 0.00 0.43 0.00 0.00 31.60 31.83 3hg3 h MET 187 CO -0.06 0.95 0.03 1.03 -0.40 0.00 0.00 176.91 178.46 3hg3 h SER 188 N 1.13 -0.05 -0.42 1.39 0.87 -1.12 -0.21 113.55 115.14 3hg3 h SER 188 Ca 0.26 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.76 3hg3 h SER 188 Cb 0.22 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3hg3 h SER 188 CO -0.02 0.01 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.02 3hg3 h LEU 189 N 0.13 0.94 -0.52 2.23 3.38 -0.89 -2.05 115.31 118.52 3hg3 h LEU 189 Ca 0.15 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3hg3 h LEU 189 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3hg3 h LEU 189 CO -0.22 1.11 0.17 0.00 0.09 0.00 0.00 178.44 179.58 3hg3 h ALA 190 N 0.96 0.68 -0.46 1.53 0.00 -0.61 -0.31 119.26 121.06 3hg3 h ALA 190 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hg3 h ALA 190 Cb 0.75 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hg3 h ALA 190 CO 0.06 0.34 0.25 -0.07 0.00 0.00 0.00 179.25 179.83 3hg3 h LEU 191 N 0.71 0.58 -0.67 0.00 3.38 -0.99 -2.76 115.31 115.56 3hg3 h LEU 191 Ca 0.17 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3hg3 h LEU 191 Cb 0.27 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3hg3 h LEU 191 CO -0.01 0.50 0.35 -1.13 0.09 0.00 0.00 178.44 178.25 3hg3 h ASN 192 N 0.61 0.48 0.45 -0.43 -0.73 -1.02 -2.43 115.58 112.51 3hg3 h ASN 192 Ca 0.16 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.38 3hg3 h ASN 192 Cb 0.05 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.60 3hg3 h ASN 192 CO -0.03 0.30 0.00 0.03 -0.37 0.00 0.00 177.43 177.36 3hg3 h ARG 193 N 0.62 0.00 0.00 6.67 3.08 -0.77 -2.01 114.38 121.97 3hg3 h ARG 193 Ca 0.32 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 3hg3 h ARG 193 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hg3 h ARG 193 CO -0.22 0.00 -0.21 1.79 -1.07 0.00 0.00 179.97 180.25 3hg3 h THR 194 N 0.00 0.56 0.00 2.04 1.35 -1.27 -3.47 112.91 112.12 3hg3 h THR 194 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3hg3 h THR 194 Cb 0.22 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3hg3 h THR 194 CO 0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 3hg3 n GLY 195 N 0.02 1.42 3.77 5.82 0.00 -0.75 -5.03 105.19 110.44 3hg3 n GLY 195 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.20 4.18 -0.31 1.61 3.52 -1.26 -5.03 118.95 121.45 3hg3 s ARG 196 Ca 0.00 0.43 -0.28 0.00 -0.13 0.00 0.00 55.73 55.75 3hg3 s ARG 196 Cb 0.00 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3hg3 s ARG 196 CO 0.00 0.38 1.83 -1.12 -0.81 0.00 0.00 175.30 175.58 3hg3 s SER 197 N -0.11 5.88 -0.09 -2.12 0.01 -1.26 -4.79 113.70 111.22 3hg3 s SER 197 Ca 0.25 1.38 -0.00 0.00 1.31 0.00 0.00 55.95 58.88 3hg3 s SER 197 Cb -0.16 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.57 3hg3 s SER 197 CO 0.12 -1.70 -0.05 -0.63 0.41 0.00 0.00 173.24 171.38 3hg3 s ILE 198 N 6.90 0.80 0.17 1.44 1.01 -1.26 -4.72 121.20 125.55 3hg3 s ILE 198 Ca 0.81 -0.16 -0.32 0.00 0.00 0.00 0.00 60.65 60.99 3hg3 s ILE 198 Cb -0.24 -0.86 -0.10 0.00 0.01 0.00 0.00 42.46 41.27 3hg3 s ILE 198 CO 0.34 0.33 1.60 -0.69 0.00 0.00 0.00 174.94 176.51 3hg3 s VAL 199 N 1.69 2.53 -0.32 2.92 1.01 0.02 -4.86 120.40 123.39 3hg3 s VAL 199 Ca 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 3hg3 s VAL 199 Cb -0.13 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.07 3hg3 s VAL 199 CO -0.06 0.03 0.05 -0.47 0.00 0.00 0.00 175.10 174.65 3hg3 s TYR 200 N 1.20 3.31 -0.23 5.22 5.04 -1.26 -0.30 117.35 130.32 3hg3 s TYR 200 Ca 0.71 -1.83 -0.07 0.00 -2.44 0.00 0.00 57.07 53.44 3hg3 s TYR 200 Cb -0.45 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.53 3hg3 s TYR 200 CO 0.31 -0.81 0.05 0.45 -1.34 0.00 0.00 175.55 174.21 3hg3 s SER 201 N 1.37 5.06 0.12 4.32 0.15 0.02 -0.44 113.70 124.30 3hg3 s SER 201 Ca -0.02 -0.20 0.10 0.00 0.70 0.00 0.00 55.95 56.53 3hg3 s SER 201 Cb -0.20 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 3hg3 s SER 201 CO -0.01 0.00 -0.25 0.00 1.20 0.00 0.00 173.24 174.19 3hg3 n GLU 203 N 0.97 3.26 -0.29 0.00 1.02 -1.09 -0.95 120.64 123.56 3hg3 n GLU 203 Ca -0.17 -2.63 -0.10 0.00 -0.02 0.00 0.00 57.16 54.24 3hg3 n GLU 203 Cb 0.53 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 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 3.08 -1.57 0.00 -0.32 2.91 -1.84 -2.46 115.95 115.74 3hg3 h TRP 204 Ca 0.00 0.10 -0.08 0.00 1.13 0.00 0.00 58.89 60.04 3hg3 h TRP 204 Cb 1.21 0.78 -0.01 0.00 -0.51 0.00 0.00 29.16 30.63 3hg3 h TRP 204 CO 0.54 -0.34 -0.36 -1.00 -1.03 0.00 0.00 178.44 176.25 3hg3 h PRO 205 N -0.10 0.00 -0.77 2.65 0.13 -1.87 -2.88 132.00 129.16 3hg3 h PRO 205 Ca 0.11 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.37 3hg3 h PRO 205 Cb 0.39 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.44 3hg3 h PRO 205 CO -0.72 0.36 0.36 1.25 -0.23 0.00 0.00 178.00 179.03 3hg3 h LEU 206 N 0.00 0.43 0.00 1.56 5.85 -0.91 -1.41 115.31 120.83 3hg3 h LEU 206 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hg3 h LEU 206 Cb 0.64 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3hg3 h LEU 206 CO 0.05 0.20 0.00 -1.22 -0.34 0.00 0.00 178.44 177.13 3hg3 n TYR 207 N -4.91 0.00 0.94 1.25 4.02 -1.09 -2.45 117.16 114.92 3hg3 n TYR 207 Ca 0.14 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.13 3hg3 n TYR 207 Cb 0.37 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.59 3hg3 n TYR 207 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3hg3 n MET 208 N -0.97 0.04 -2.26 -0.72 2.81 -0.53 -4.96 117.12 110.52 3hg3 n MET 208 Ca 0.19 -0.01 -0.40 0.00 -1.81 0.00 0.00 57.70 55.67 3hg3 n MET 208 Cb 0.09 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.07 3hg3 n MET 208 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 3hg3 s TRP 209 N -3.03 3.18 -1.81 2.03 -0.00 -1.03 -1.71 118.94 116.58 3hg3 s TRP 209 Ca 0.07 1.54 0.19 0.00 -0.00 0.00 0.00 56.10 57.89 3hg3 s TRP 209 Cb 0.16 -3.48 0.02 0.00 -0.00 0.00 0.00 33.47 30.17 3hg3 s TRP 209 CO 0.86 -1.35 0.97 -0.35 -0.00 0.00 0.00 176.95 177.08 3hg3 n PRO 210 N 0.62 1.55 -0.07 5.86 -0.04 -1.26 -4.86 135.00 136.80 3hg3 n PRO 210 Ca 0.01 -1.01 -0.10 0.00 -0.04 0.00 0.00 63.50 62.36 3hg3 n PRO 210 Cb 0.44 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.40 3hg3 n PRO 210 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hg3 n PHE 211 N 0.12 0.40 -3.31 0.54 0.99 -1.21 -4.85 117.46 110.14 3hg3 n PHE 211 Ca 0.08 0.14 -0.39 0.00 -0.00 0.00 0.00 57.45 57.28 3hg3 n PHE 211 Cb 0.40 -1.07 -0.08 0.00 -1.00 0.00 0.00 39.48 37.73 3hg3 n PHE 211 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3hg3 s GLN 212 N -2.53 4.09 -0.21 -1.08 1.11 -0.69 -5.05 119.66 115.29 3hg3 s GLN 212 Ca -0.09 0.23 -0.29 0.00 0.01 0.00 0.00 55.36 55.22 3hg3 s GLN 212 Cb 0.07 -3.62 0.01 0.00 -1.01 0.00 0.00 33.01 28.45 3hg3 s GLN 212 CO 0.82 -0.25 1.03 -1.59 0.01 0.00 0.00 175.29 175.32 3hg3 s LYS 213 N 1.97 4.28 0.36 2.91 0.00 -1.26 -4.37 119.74 123.63 3hg3 s LYS 213 Ca 0.19 1.35 -0.28 0.00 0.00 0.00 0.00 55.97 57.24 3hg3 s LYS 213 Cb -0.15 -3.63 -0.10 0.00 0.00 0.00 0.00 37.83 33.95 3hg3 s LYS 213 CO 0.09 -0.58 1.33 -2.14 0.00 0.00 0.00 175.35 174.05 3hg3 s PRO 214 N 3.01 4.18 -0.69 1.78 0.02 -1.26 -4.97 135.00 137.08 3hg3 s PRO 214 Ca 0.44 2.24 -0.22 0.00 0.02 0.00 0.00 61.00 63.48 3hg3 s PRO 214 Cb -0.15 -2.94 0.08 0.00 0.02 0.00 0.00 34.50 31.50 3hg3 s PRO 214 CO 0.08 -0.34 0.98 1.21 -0.33 0.00 0.00 177.00 178.59 3hg3 s ASN 215 N -0.54 6.23 0.34 2.53 3.84 -1.26 -4.90 114.94 121.18 3hg3 s ASN 215 Ca 0.52 -1.15 0.16 0.00 0.21 0.00 0.00 52.86 52.60 3hg3 s ASN 215 Cb -0.40 -2.41 0.54 0.00 -0.55 0.00 0.00 41.25 38.43 3hg3 s ASN 215 CO 0.53 -1.38 1.68 1.88 -2.79 0.00 0.00 177.10 177.01 3hg3 h TYR 216 N 9.46 0.00 -0.47 0.43 0.05 -1.95 -1.31 116.97 123.18 3hg3 h TYR 216 Ca -0.23 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.60 3hg3 h TYR 216 Cb 1.06 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.76 3hg3 h TYR 216 CO 0.99 0.46 0.22 1.15 -1.05 0.00 0.00 178.16 179.93 3hg3 h THR 217 N 0.00 0.92 -0.19 -2.88 2.02 -1.96 0.13 112.91 110.95 3hg3 h THR 217 Ca -0.00 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 3hg3 h THR 217 Cb 0.99 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3hg3 h THR 217 CO 0.06 0.08 -0.07 -0.08 0.37 0.00 0.00 175.52 175.88 3hg3 h GLU 218 N 0.43 0.39 -0.57 6.66 4.81 -1.88 -2.80 114.58 121.61 3hg3 h GLU 218 Ca 0.21 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3hg3 h GLU 218 Cb 0.15 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3hg3 h GLU 218 CO -0.17 0.66 0.37 0.82 -0.73 0.00 0.00 179.01 179.96 3hg3 h ILE 219 N 0.09 1.13 -0.33 2.32 2.04 -1.11 -2.59 117.51 119.06 3hg3 h ILE 219 Ca 0.05 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3hg3 h ILE 219 Cb 0.53 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3hg3 h ILE 219 CO 0.02 0.14 0.07 -0.09 0.00 0.00 0.00 178.15 178.29 3hg3 h ARG 220 N 0.75 0.48 0.00 2.37 2.43 -0.99 -0.20 114.38 119.22 3hg3 h ARG 220 Ca 0.21 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3hg3 h ARG 220 Cb -0.06 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3hg3 h ARG 220 CO -0.06 0.45 -0.05 1.96 -1.51 0.00 0.00 179.97 180.76 3hg3 h GLN 221 N 0.47 0.00 0.00 0.20 4.20 -1.18 0.41 115.11 119.21 3hg3 h GLN 221 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3hg3 h GLN 221 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3hg3 h GLN 221 CO -0.00 0.05 -1.57 0.66 -0.67 0.00 0.00 178.83 177.30 3hg3 n TYR 222 N -4.40 0.00 -4.46 2.96 4.01 -0.68 -4.47 117.16 110.13 3hg3 n TYR 222 Ca -0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 3hg3 n TYR 222 Cb 0.13 -0.29 -0.14 0.00 -0.31 0.00 0.00 39.34 38.73 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 4.97 0.22 -5.11 0.00 -0.26 -0.91 -1.89 115.58 112.59 3hg3 h ASN 224 Ca -0.39 -0.25 -0.05 0.00 -0.56 0.00 0.00 56.30 55.05 3hg3 h ASN 224 Cb 1.17 -0.07 -0.12 0.00 -1.06 0.00 0.00 38.32 38.24 3hg3 h ASN 224 CO 0.44 1.20 -0.08 -1.38 -1.06 0.00 0.00 177.43 176.55 3hg3 s HIS 225 N -2.67 -0.07 -0.09 1.19 -3.43 -1.13 -1.11 115.29 107.97 3hg3 s HIS 225 Ca -0.03 -0.26 -0.05 0.00 -0.80 0.00 0.00 55.06 53.92 3hg3 s HIS 225 Cb 0.08 0.25 0.04 0.00 -1.43 0.00 0.00 32.58 31.52 3hg3 s HIS 225 CO 0.85 -0.77 0.21 1.67 -2.00 0.00 0.00 174.74 174.70 3hg3 s TRP 226 N -3.85 -0.26 -0.11 0.38 -2.14 -0.84 -0.51 118.94 111.60 3hg3 s TRP 226 Ca 0.07 0.65 -0.29 0.00 2.66 0.00 0.00 56.10 59.19 3hg3 s TRP 226 Cb 0.01 0.02 -0.01 0.00 -3.10 0.00 0.00 33.47 30.39 3hg3 s TRP 226 CO -0.07 -0.19 0.97 1.03 -2.66 0.00 0.00 176.95 176.03 3hg3 s ARG 227 N 0.97 4.41 -0.14 3.25 1.81 -0.12 -0.39 118.95 128.74 3hg3 s ARG 227 Ca -0.07 1.32 0.18 0.00 -1.72 0.00 0.00 55.73 55.44 3hg3 s ARG 227 Cb -0.09 -3.54 -0.25 0.00 -0.45 0.00 0.00 34.95 30.62 3hg3 s ARG 227 CO -0.06 -0.30 0.25 0.09 -0.68 0.00 0.00 175.30 174.61 3hg3 n ASN 228 N 4.98 0.18 -4.37 0.23 3.02 -1.24 -2.00 115.26 116.06 3hg3 n ASN 228 Ca 0.08 0.08 -0.19 0.00 -0.03 0.00 0.00 54.58 54.52 3hg3 n ASN 228 Cb 0.49 0.92 -0.10 0.00 -0.61 0.00 0.00 39.78 40.47 3hg3 n ASN 228 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hg3 s PHE 229 N -2.66 1.71 0.86 3.10 2.99 -1.26 -4.14 117.98 118.58 3hg3 s PHE 229 Ca -0.09 -0.96 -0.12 0.00 0.00 0.00 0.00 56.93 55.76 3hg3 s PHE 229 Cb 0.07 -1.04 0.08 0.00 0.00 0.00 0.00 43.02 42.14 3hg3 s PHE 229 CO 0.84 -0.05 0.98 0.00 -0.00 0.00 0.00 175.22 176.99 3hg3 n ALA 230 N -0.52 -0.88 -1.64 5.36 0.00 -1.26 -4.88 120.51 116.69 3hg3 n ALA 230 Ca -0.03 -0.44 -0.46 0.00 0.00 0.00 0.00 53.44 52.50 3hg3 n ALA 230 Cb 0.65 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.94 2.27 -4.77 0.00 8.00 -1.26 -4.97 116.55 112.88 3hg3 n ASP 231 Ca 0.11 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 56.43 3hg3 n ASP 231 Cb 0.51 -1.36 0.06 0.00 -0.02 0.00 0.00 41.12 40.31 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 -0.15 3.18 0.02 0.53 2.07 -1.26 -5.06 121.20 120.53 3hg3 s ILE 232 Ca 0.69 0.53 0.00 0.00 -1.41 0.00 0.00 60.65 60.46 3hg3 s ILE 232 Cb -0.71 -3.04 -0.00 0.00 0.13 0.00 0.00 42.46 38.83 3hg3 s ILE 232 CO 0.51 -0.36 0.01 -0.90 -1.91 0.00 0.00 174.94 172.29 3hg3 n ASP 233 N -2.58 0.19 -3.50 4.50 5.68 -1.26 -4.98 116.55 114.61 3hg3 n ASP 233 Ca 0.10 -1.12 -0.40 0.00 -0.50 0.00 0.00 54.79 52.87 3hg3 n ASP 233 Cb 0.52 0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.57 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 -2.72 7.41 -3.69 -1.12 -0.08 -1.26 -4.84 116.55 110.26 3hg3 n ASP 234 Ca 0.00 -2.89 -0.15 0.00 -1.51 0.00 0.00 54.79 50.25 3hg3 n ASP 234 Cb 0.03 -1.49 -0.08 0.00 2.34 0.00 0.00 41.12 41.93 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 1.44 -0.35 0.26 1.67 1.04 -1.26 -4.00 113.70 112.51 3hg3 s SER 235 Ca 0.57 0.33 -0.00 0.00 0.48 0.00 0.00 55.95 57.33 3hg3 s SER 235 Cb 0.17 0.42 0.35 0.00 0.10 0.00 0.00 66.02 67.06 3hg3 s SER 235 CO -0.07 -0.47 1.72 -0.25 0.98 0.00 0.00 173.24 175.14 3hg3 h TRP 236 N 3.73 0.69 -0.78 5.02 -0.00 -1.89 -2.96 115.95 119.75 3hg3 h TRP 236 Ca -0.29 -0.13 0.09 0.00 -0.00 0.00 0.00 58.89 58.57 3hg3 h TRP 236 Cb 1.17 -0.18 -0.07 0.00 -0.00 0.00 0.00 29.16 30.08 3hg3 h TRP 236 CO 0.47 0.76 0.43 -0.22 -0.00 0.00 0.00 178.44 179.89 3hg3 h LYS 237 N 0.56 0.70 -0.24 2.65 3.64 -1.95 -0.38 116.57 121.55 3hg3 h LYS 237 Ca 0.09 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 3hg3 h LYS 237 Cb 0.62 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3hg3 h LYS 237 CO 0.04 0.46 -0.45 0.66 -2.27 0.00 0.00 179.45 177.89 3hg3 h SER 238 N 0.72 0.67 -0.08 4.20 4.64 -1.86 -1.36 113.55 120.48 3hg3 h SER 238 Ca 0.38 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hg3 h SER 238 Cb 0.37 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3hg3 h SER 238 CO -0.26 1.03 0.03 0.40 -0.87 0.00 0.00 176.83 177.16 3hg3 h ILE 239 N 0.50 1.14 -0.69 0.95 2.04 -1.31 -1.43 117.51 118.73 3hg3 h ILE 239 Ca 0.03 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.53 3hg3 h ILE 239 Cb 0.98 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.28 3hg3 h ILE 239 CO 0.09 0.12 0.38 0.11 0.00 0.00 0.00 178.15 178.85 3hg3 h LYS 240 N -0.02 0.66 -0.54 2.37 1.57 -1.02 -1.03 116.57 118.56 3hg3 h LYS 240 Ca 0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3hg3 h LYS 240 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3hg3 h LYS 240 CO -0.00 0.44 0.20 1.03 -0.57 0.00 0.00 179.45 180.55 3hg3 h SER 241 N 0.68 0.75 -0.33 0.86 0.87 -1.06 0.12 113.55 115.44 3hg3 h SER 241 Ca 0.31 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3hg3 h SER 241 Cb 0.22 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3hg3 h SER 241 CO -0.20 0.73 0.15 0.40 -0.53 0.00 0.00 176.83 177.38 3hg3 h ILE 242 N 0.73 1.17 -0.55 2.23 2.04 -0.99 -0.59 117.51 121.54 3hg3 h ILE 242 Ca 0.18 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3hg3 h ILE 242 Cb 0.22 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3hg3 h ILE 242 CO -0.01 0.17 0.25 -0.07 0.00 0.00 0.00 178.15 178.49 3hg3 h LEU 243 N 0.39 0.74 -0.60 1.44 3.38 -0.92 -0.53 115.31 119.21 3hg3 h LEU 243 Ca 0.11 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3hg3 h LEU 243 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hg3 h LEU 243 CO -0.01 0.67 -0.22 0.44 0.09 0.00 0.00 178.44 179.41 3hg3 h ASP 244 N 0.75 0.90 0.17 -0.43 3.32 -0.67 -0.66 116.42 119.80 3hg3 h ASP 244 Ca 0.19 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 3hg3 h ASP 244 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3hg3 h ASP 244 CO -0.02 1.09 -0.52 -0.50 -1.72 0.00 0.00 179.24 177.57 3hg3 h TRP 245 N 0.77 0.48 0.13 4.55 4.06 -1.02 -1.16 115.95 123.76 3hg3 h TRP 245 Ca 0.10 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 3hg3 h TRP 245 Cb 0.77 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.83 3hg3 h TRP 245 CO 0.05 0.83 -0.06 1.15 -3.56 0.00 0.00 178.44 176.84 3hg3 h THR 246 N 0.31 1.00 -0.45 1.49 2.02 -0.92 -2.34 112.91 114.02 3hg3 h THR 246 Ca 0.01 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 3hg3 h THR 246 Cb 1.02 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3hg3 h THR 246 CO 0.09 0.13 -0.05 0.77 0.37 0.00 0.00 175.52 176.83 3hg3 h SER 247 N -0.45 0.75 -0.65 4.18 4.64 -1.14 -0.33 113.55 120.55 3hg3 h SER 247 Ca -0.02 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3hg3 h SER 247 Cb 0.36 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3hg3 h SER 247 CO 0.03 0.85 0.41 0.15 -0.87 0.00 0.00 176.83 177.40 3hg3 h PHE 248 N 0.71 0.85 -0.62 4.77 3.57 -1.23 -2.88 116.94 122.11 3hg3 h PHE 248 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3hg3 h PHE 248 Cb 0.51 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3hg3 h PHE 248 CO 0.03 0.55 0.00 0.09 -2.23 0.00 0.00 178.31 176.75 3hg3 n ASN 249 N -4.41 4.23 0.14 0.41 3.02 -0.88 -4.73 115.26 113.04 3hg3 n ASN 249 Ca 0.07 -2.27 0.04 0.00 -0.03 0.00 0.00 54.58 52.39 3hg3 n ASN 249 Cb 0.06 -0.50 0.47 0.00 -0.61 0.00 0.00 39.78 39.19 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 3.79 0.20 -0.56 3.52 3.07 -0.84 -1.32 115.11 122.97 3hg3 h GLN 250 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 3hg3 h GLN 250 Cb 1.21 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.71 3hg3 h GLN 250 CO 0.12 0.26 0.27 1.49 0.09 0.00 0.00 178.83 181.06 3hg3 h GLU 251 N 0.20 0.78 -0.08 0.06 4.57 -1.84 -1.61 114.58 116.65 3hg3 h GLU 251 Ca 0.05 -0.10 -0.21 0.00 -1.18 0.00 0.00 59.36 57.93 3hg3 h GLU 251 Cb 0.21 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3hg3 h GLU 251 CO 0.01 0.61 -0.79 0.00 -1.18 0.00 0.00 179.01 177.65 3hg3 h ARG 252 N 0.78 0.52 0.00 1.92 3.08 -1.62 -3.41 114.38 115.65 3hg3 h ARG 252 Ca 0.20 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 3hg3 h ARG 252 Cb 0.08 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3hg3 h ARG 252 CO -0.03 1.09 -1.48 0.44 -1.07 0.00 0.00 179.97 178.92 3hg3 n ILE 253 N -3.85 0.33 0.05 2.04 -5.35 -1.08 -4.68 119.36 106.81 3hg3 n ILE 253 Ca -0.06 -0.28 -0.12 0.00 -0.27 0.00 0.00 62.75 62.02 3hg3 n ILE 253 Cb 0.75 -0.35 -0.07 0.00 -1.74 0.00 0.00 39.64 38.22 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 1.00 0.00 7.28 2.07 -1.53 -3.07 116.25 122.00 3hg3 h VAL 254 Ca -0.13 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3hg3 h VAL 254 Cb 1.05 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3hg3 h VAL 254 CO 0.01 0.02 0.00 0.44 0.02 0.00 0.00 177.57 178.06 3hg3 h ASP 255 N -0.07 0.00 1.66 0.57 3.32 -1.84 -2.90 116.42 117.17 3hg3 h ASP 255 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3hg3 h ASP 255 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hg3 h ASP 255 CO 0.01 0.00 -0.09 1.62 -1.72 0.00 0.00 179.24 179.05 3hg3 h VAL 256 N 0.00 0.17 -4.06 -1.35 3.04 -1.81 -3.45 116.25 108.79 3hg3 h VAL 256 Ca 0.00 -1.11 -0.46 0.00 -1.01 0.00 0.00 66.70 64.12 3hg3 h VAL 256 Cb 0.55 1.96 0.01 0.00 -2.01 0.00 0.00 31.29 31.79 3hg3 h VAL 256 CO 0.00 0.09 0.37 0.00 -1.01 0.00 0.00 177.57 177.02 3hg3 s ALA 257 N -3.29 2.94 0.00 3.17 0.00 -1.09 -4.91 121.76 118.57 3hg3 s ALA 257 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3hg3 s ALA 257 Cb 0.06 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3hg3 s ALA 257 CO 0.66 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.68 3hg3 n GLY 258 N -0.35 -0.88 3.67 0.00 0.00 -0.05 -4.65 105.19 102.93 3hg3 n GLY 258 Ca 0.08 -1.16 -0.57 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.51 0.97 0.00 1.61 -0.02 -1.26 -0.52 135.00 135.26 3hg3 n PRO 259 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3hg3 n PRO 259 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 3.58 1.34 3.15 -1.23 0.00 0.86 -4.88 105.19 108.02 3hg3 n GLY 260 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.10 -0.93 0.12 -0.02 0.00 0.32 -0.82 107.32 103.89 3hg3 s GLY 261 Ca 0.00 1.78 0.10 0.00 0.00 0.00 0.00 44.72 46.61 3hg3 s GLY 261 CO 0.00 3.29 -0.25 -0.98 0.00 0.00 0.00 173.10 175.16 3hg3 s TRP 262 N 2.83 2.17 0.13 1.90 0.52 -0.27 -0.87 118.94 125.35 3hg3 s TRP 262 Ca 0.19 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.61 3hg3 s TRP 262 Cb -0.15 -1.18 -0.07 0.00 -1.15 0.00 0.00 33.47 30.92 3hg3 s TRP 262 CO -0.20 0.30 1.24 -0.80 0.02 0.00 0.00 176.95 177.51 3hg3 s ASN 263 N -1.99 7.02 -0.37 2.95 0.01 -1.26 -1.98 114.94 119.32 3hg3 s ASN 263 Ca 0.12 2.19 -0.06 0.00 -0.71 0.00 0.00 52.86 54.40 3hg3 s ASN 263 Cb -0.10 -2.59 0.06 0.00 0.41 0.00 0.00 41.25 39.03 3hg3 s ASN 263 CO 0.05 -0.47 0.15 -0.62 -1.51 0.00 0.00 177.10 174.70 3hg3 s ASP 264 N 0.64 5.35 -0.03 -1.22 2.15 0.47 -4.29 116.67 119.75 3hg3 s ASP 264 Ca 0.57 -1.39 0.09 0.00 0.43 0.00 0.00 52.55 52.26 3hg3 s ASP 264 Cb -0.33 -1.88 0.31 0.00 -0.30 0.00 0.00 42.92 40.73 3hg3 s ASP 264 CO 0.33 -0.41 1.20 -0.81 -0.17 0.00 0.00 175.17 175.31 3hg3 n PRO 265 N 4.79 2.02 0.00 4.34 -0.04 -1.26 -3.65 135.00 141.19 3hg3 n PRO 265 Ca -0.10 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 3hg3 n PRO 265 Cb 0.43 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -4.75 3.54 -0.08 -1.26 -4.79 116.55 109.64 3hg3 n ASP 266 Ca 0.12 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.03 3hg3 n ASP 266 Cb 0.38 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.88 3hg3 n ASP 266 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3hg3 s MET 267 N -0.84 2.94 0.08 -0.67 -1.94 -1.26 -4.81 119.30 112.79 3hg3 s MET 267 Ca 0.00 1.94 -0.31 0.00 -1.71 0.00 0.00 55.69 55.61 3hg3 s MET 267 Cb 0.00 -1.98 -0.06 0.00 2.01 0.00 0.00 34.83 34.80 3hg3 s MET 267 CO 0.00 -1.26 1.26 -0.51 -0.01 0.00 0.00 175.02 174.50 3hg3 s LEU 268 N -4.01 4.37 -0.08 -0.03 1.43 0.03 -4.93 118.68 115.47 3hg3 s LEU 268 Ca 0.77 2.12 0.11 0.00 -1.03 0.00 0.00 54.13 56.11 3hg3 s LEU 268 Cb -0.33 -3.58 0.26 0.00 0.03 0.00 0.00 46.19 42.56 3hg3 s LEU 268 CO 0.37 -0.53 1.18 1.33 0.23 0.00 0.00 176.35 178.93 3hg3 n VAL 269 N 3.94 1.55 -1.79 -1.59 0.24 -1.26 -1.01 118.33 118.40 3hg3 n VAL 269 Ca 0.10 -1.57 -0.41 0.00 -2.04 0.00 0.00 64.34 60.41 3hg3 n VAL 269 Cb 0.45 0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.92 3hg3 n VAL 269 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3hg3 s ILE 270 N -1.96 2.11 0.00 1.34 1.01 -1.26 -3.24 121.20 119.20 3hg3 s ILE 270 Ca 0.23 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3hg3 s ILE 270 Cb 0.18 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3hg3 s ILE 270 CO 0.06 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3hg3 n GLY 271 N 2.18 0.79 0.00 6.18 0.00 -1.26 -4.81 105.19 108.27 3hg3 n GLY 271 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.20 -4.77 115.26 113.92 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 0.84 3.10 3.72 -1.26 -4.82 117.46 119.04 3hg3 n PHE 273 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3hg3 n PHE 273 Cb 0.00 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 2.57 0.25 3.40 1.37 0.00 -1.26 -4.95 105.19 106.57 3hg3 n GLY 274 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.99 2.68 0.94 0.99 1.43 -1.26 -4.32 118.68 117.14 3hg3 s LEU 275 Ca 0.19 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3hg3 s LEU 275 Cb 0.16 -1.57 0.15 0.00 0.03 0.00 0.00 46.19 44.96 3hg3 s LEU 275 CO 0.38 0.24 1.09 -0.94 0.23 0.00 0.00 176.35 177.35 3hg3 s SER 276 N -0.10 3.10 0.22 2.29 1.04 -1.26 -4.82 113.70 114.17 3hg3 s SER 276 Ca -0.02 1.41 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 3hg3 s SER 276 Cb -0.14 -2.08 0.27 0.00 0.10 0.00 0.00 66.02 64.17 3hg3 s SER 276 CO 0.04 -2.86 1.83 -0.25 0.98 0.00 0.00 173.24 172.98 3hg3 h TRP 277 N -1.71 0.84 -0.69 5.02 2.91 -2.00 -1.76 115.95 118.57 3hg3 h TRP 277 Ca -0.51 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.51 3hg3 h TRP 277 Cb 1.30 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 29.65 3hg3 h TRP 277 CO 0.38 0.43 0.35 -0.91 -1.03 0.00 0.00 178.44 177.65 3hg3 h ASN 278 N 0.84 0.87 0.00 2.65 2.35 -1.91 -1.43 115.58 118.95 3hg3 h ASN 278 Ca 0.33 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 3hg3 h ASN 278 Cb 0.15 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3hg3 h ASN 278 CO -0.17 0.73 -0.41 1.56 -1.65 0.00 0.00 177.43 177.49 3hg3 h GLN 279 N 0.97 0.52 -0.41 0.81 4.20 -1.53 -1.39 115.11 118.28 3hg3 h GLN 279 Ca 0.24 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3hg3 h GLN 279 Cb 0.07 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3hg3 h GLN 279 CO -0.03 0.84 0.13 1.96 -0.67 0.00 0.00 178.83 181.06 3hg3 h GLN 280 N 0.42 0.63 -0.59 1.46 4.20 -0.95 -1.65 115.11 118.64 3hg3 h GLN 280 Ca 0.04 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3hg3 h GLN 280 Cb 0.90 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 3hg3 h GLN 280 CO 0.08 0.62 0.38 0.28 -0.67 0.00 0.00 178.83 179.52 3hg3 h VAL 281 N 0.51 1.12 -0.45 -0.54 2.07 -1.11 -1.89 116.25 115.96 3hg3 h VAL 281 Ca 0.13 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3hg3 h VAL 281 Cb 0.25 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3hg3 h VAL 281 CO -0.01 0.14 0.28 0.74 0.02 0.00 0.00 177.57 178.75 3hg3 h THR 282 N 0.77 1.09 -0.24 2.57 2.02 -1.10 -0.15 112.91 117.86 3hg3 h THR 282 Ca 0.22 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3hg3 h THR 282 Cb -0.06 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3hg3 h THR 282 CO -0.06 0.11 0.13 -0.61 0.37 0.00 0.00 175.52 175.45 3hg3 h GLN 283 N 0.58 0.34 -0.46 6.66 4.15 -1.02 -1.36 115.11 124.00 3hg3 h GLN 283 Ca 0.17 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 3hg3 h GLN 283 Cb -0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3hg3 h GLN 283 CO -0.05 0.32 0.28 1.98 -1.93 0.00 0.00 178.83 179.42 3hg3 h MET 284 N 0.28 0.63 -0.34 1.69 4.05 -1.14 -0.87 114.93 119.24 3hg3 h MET 284 Ca 0.09 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3hg3 h MET 284 Cb 0.07 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 3hg3 h MET 284 CO -0.01 0.47 0.20 0.00 0.23 0.00 0.00 176.91 177.79 3hg3 h ALA 285 N 1.13 0.43 0.02 0.39 0.00 -0.94 -2.87 119.26 117.41 3hg3 h ALA 285 Ca 0.17 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3hg3 h ALA 285 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hg3 h ALA 285 CO -0.03 -0.07 -0.94 -0.07 0.00 0.00 0.00 179.25 178.14 3hg3 h LEU 286 N 0.43 0.12 -1.43 0.00 -0.00 -1.08 -2.04 115.31 111.32 3hg3 h LEU 286 Ca 0.12 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 57.83 3hg3 h LEU 286 Cb 0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 3hg3 h LEU 286 CO -0.02 0.99 -0.27 -0.50 -0.00 0.00 0.00 178.44 178.63 3hg3 h TRP 287 N 0.04 0.00 -0.08 1.13 -0.00 -1.19 0.35 115.95 116.20 3hg3 h TRP 287 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.79 3hg3 h TRP 287 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.78 3hg3 h TRP 287 CO 0.02 0.27 -0.22 0.00 -0.00 0.00 0.00 178.44 178.51 3hg3 h ALA 288 N 1.73 0.13 -0.83 1.49 0.00 -1.27 -2.09 119.26 118.42 3hg3 h ALA 288 Ca -0.00 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.61 3hg3 h ALA 288 Cb 0.57 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3hg3 h ALA 288 CO 0.04 0.10 0.48 0.82 0.00 0.00 0.00 179.25 180.69 3hg3 h ILE 289 N -0.20 0.92 -0.03 0.00 1.08 -1.10 -2.82 117.51 115.37 3hg3 h ILE 289 Ca -0.01 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3hg3 h ILE 289 Cb 0.84 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 3hg3 h ILE 289 CO 0.05 0.15 0.00 0.23 -0.69 0.00 0.00 178.15 177.89 3hg3 n MET 290 N -4.73 1.19 -3.93 2.37 2.81 0.09 -0.69 117.12 114.23 3hg3 n MET 290 Ca 0.13 -0.28 -0.27 0.00 -1.81 0.00 0.00 57.70 55.47 3hg3 n MET 290 Cb 0.27 -1.38 -0.00 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 -0.56 -1.75 -1.90 3.04 0.00 -1.06 -4.65 120.51 113.63 3hg3 n ALA 291 Ca 0.17 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 3hg3 n ALA 291 Cb 0.15 -2.50 -0.06 0.00 0.00 0.00 0.00 19.45 17.04 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 -3.66 3.33 0.41 0.00 0.00 -0.80 -4.66 121.76 116.39 3hg3 s ALA 292 Ca 0.25 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.37 3hg3 s ALA 292 Cb -0.13 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 3hg3 s ALA 292 CO 0.87 0.24 1.22 -2.30 0.00 0.00 0.00 175.76 175.79 3hg3 n PRO 293 N 0.94 1.83 -3.67 0.00 -0.02 -1.26 -4.78 135.00 128.04 3hg3 n PRO 293 Ca -0.01 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 3hg3 n PRO 293 Cb 0.50 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.42 5.44 -0.40 2.45 1.43 0.54 -4.89 118.68 121.83 3hg3 s LEU 294 Ca 0.61 -2.86 -0.08 0.00 -1.03 0.00 0.00 54.13 50.77 3hg3 s LEU 294 Cb -0.52 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 43.86 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 -0.07 3.34 0.34 0.29 0.40 -1.26 -0.87 117.98 120.15 3hg3 s PHE 295 Ca 0.17 -1.59 -0.28 0.00 -0.60 0.00 0.00 56.93 54.63 3hg3 s PHE 295 Cb -0.19 -2.79 -0.10 0.00 0.51 0.00 0.00 43.02 40.45 3hg3 s PHE 295 CO -0.04 -0.83 1.25 -1.64 0.70 0.00 0.00 175.22 174.66 3hg3 s MET 296 N 1.39 4.34 -0.30 0.44 -1.94 -0.27 -0.79 119.30 122.16 3hg3 s MET 296 Ca 0.02 2.09 0.00 0.00 -1.71 0.00 0.00 55.69 56.09 3hg3 s MET 296 Cb -0.22 -3.01 0.09 0.00 2.01 0.00 0.00 34.83 33.70 3hg3 s MET 296 CO 0.02 -0.16 0.07 0.45 -0.01 0.00 0.00 175.02 175.39 3hg3 s SER 297 N -0.66 4.10 0.36 3.03 0.15 -0.18 -0.40 113.70 120.10 3hg3 s SER 297 Ca 0.50 -1.66 -0.13 0.00 0.70 0.00 0.00 55.95 55.36 3hg3 s SER 297 Cb -0.37 -1.02 0.05 0.00 -1.71 0.00 0.00 66.02 62.97 3hg3 s SER 297 CO 0.49 -0.39 0.72 -0.46 1.20 0.00 0.00 173.24 174.79 3hg3 n ASN 298 N 4.73 -2.08 -4.29 5.45 0.23 -1.26 -4.40 115.26 113.64 3hg3 n ASN 298 Ca -0.02 -2.50 -0.42 0.00 -0.53 0.00 0.00 54.58 51.11 3hg3 n ASN 298 Cb 0.42 3.49 -0.09 0.00 -2.08 0.00 0.00 39.78 41.53 3hg3 n ASN 298 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hg3 s ASP 299 N -2.93 5.82 0.39 0.53 -1.08 -1.26 -4.94 116.67 113.21 3hg3 s ASP 299 Ca 0.16 -1.58 0.28 0.00 -0.52 0.00 0.00 52.55 50.89 3hg3 s ASP 299 Cb -0.04 -2.06 1.34 0.00 -1.46 0.00 0.00 42.92 40.69 3hg3 s ASP 299 CO 0.12 -0.63 1.85 -0.07 0.52 0.00 0.00 175.17 176.96 3hg3 h LEU 300 N 8.55 0.00 -0.35 -1.34 3.38 -1.98 -1.10 115.31 122.46 3hg3 h LEU 300 Ca -0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 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 0.84 0.00 -0.44 0.03 0.09 0.00 0.00 178.44 178.95 3hg3 h ARG 301 N 0.00 0.00 -2.42 1.13 3.08 -1.95 -3.39 114.38 110.84 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 0.22 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.88 3hg3 h ARG 301 CO 0.00 0.44 -0.93 0.72 -1.07 0.00 0.00 179.97 179.14 3hg3 n HIS 302 N -3.31 -0.18 -4.19 3.04 8.25 -0.42 -5.10 115.22 113.30 3hg3 n HIS 302 Ca 0.01 -3.49 -0.17 0.00 -0.26 0.00 0.00 57.72 53.81 3hg3 n HIS 302 Cb 0.65 0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.36 0.48 0.62 1.59 2.07 -1.21 -4.64 121.20 119.75 3hg3 s ILE 303 Ca 0.32 -0.23 -0.17 0.00 -1.41 0.00 0.00 60.65 59.16 3hg3 s ILE 303 Cb 0.05 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 3hg3 s ILE 303 CO -0.18 0.15 1.16 -0.94 -1.91 0.00 0.00 174.94 173.22 3hg3 s SER 304 N 0.06 5.16 0.35 4.50 1.04 -1.26 -4.86 113.70 118.69 3hg3 s SER 304 Ca -0.00 2.22 0.06 0.00 0.48 0.00 0.00 55.95 58.71 3hg3 s SER 304 Cb -0.05 -2.58 0.74 0.00 0.10 0.00 0.00 66.02 64.24 3hg3 s SER 304 CO -0.00 -1.60 1.92 -0.65 0.98 0.00 0.00 173.24 173.89 3hg3 h PRO 305 N 0.57 0.75 -0.23 4.02 0.11 -2.01 -1.17 132.00 134.04 3hg3 h PRO 305 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3hg3 h PRO 305 Cb 1.27 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hg3 h PRO 305 CO 0.54 0.49 -0.03 1.96 -0.21 0.00 0.00 178.00 180.76 3hg3 h GLN 306 N 0.77 0.42 -0.67 1.05 7.50 -1.99 -1.21 115.11 120.97 3hg3 h GLN 306 Ca 0.37 -0.15 -0.07 0.00 0.50 0.00 0.00 58.65 59.30 3hg3 h GLN 306 Cb 0.42 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.90 3hg3 h GLN 306 CO -0.15 0.63 0.14 0.00 -1.50 0.00 0.00 178.83 177.96 3hg3 h ALA 307 N 0.77 0.98 -0.04 3.87 0.00 -1.89 -1.60 119.26 121.35 3hg3 h ALA 307 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hg3 h ALA 307 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hg3 h ALA 307 CO 0.02 0.65 0.00 -0.22 0.00 0.00 0.00 179.25 179.70 3hg3 h LYS 308 N 1.02 0.02 -0.82 0.00 3.64 -1.13 -1.46 116.57 117.85 3hg3 h LYS 308 Ca 0.21 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3hg3 h LYS 308 Cb 0.39 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3hg3 h LYS 308 CO 0.01 0.01 0.40 0.00 -2.27 0.00 0.00 179.45 177.59 3hg3 h ALA 309 N 1.04 1.05 -0.19 5.00 0.00 -1.02 -0.76 119.26 124.38 3hg3 h ALA 309 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hg3 h ALA 309 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3hg3 h ALA 309 CO -0.03 0.61 0.08 1.25 0.00 0.00 0.00 179.25 181.16 3hg3 h LEU 310 N 1.16 0.26 -1.41 0.00 5.85 -1.19 -1.87 115.31 118.10 3hg3 h LEU 310 Ca 0.28 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3hg3 h LEU 310 Cb 0.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3hg3 h LEU 310 CO -0.04 0.34 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.09 3hg3 h LEU 311 N 0.15 0.00 -2.85 2.25 3.38 -1.01 -2.61 115.31 114.62 3hg3 h LEU 311 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hg3 h LEU 311 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hg3 h LEU 311 CO -0.01 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.77 3hg3 n GLN 312 N -3.67 3.06 -1.59 1.13 6.02 -0.31 -4.96 117.38 117.05 3hg3 n GLN 312 Ca -0.01 -2.73 -0.43 0.00 -0.01 0.00 0.00 57.00 53.81 3hg3 n GLN 312 Cb 0.37 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3hg3 n GLN 312 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3hg3 n ASP 313 N 1.50 3.22 -0.17 1.08 -0.08 -0.71 -4.85 116.55 116.54 3hg3 n ASP 313 Ca 0.25 0.20 -0.02 0.00 -1.51 0.00 0.00 54.79 53.71 3hg3 n ASP 313 Cb 0.71 -1.55 0.07 0.00 2.34 0.00 0.00 41.12 42.70 3hg3 n ASP 313 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3hg3 h LYS 314 N 15.03 0.35 -0.21 -0.67 3.64 -1.91 -0.95 116.57 131.84 3hg3 h LYS 314 Ca -0.41 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 58.80 3hg3 h LYS 314 Cb 1.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3hg3 h LYS 314 CO 0.96 0.23 -0.52 -0.44 -2.27 0.00 0.00 179.45 177.42 3hg3 h ASP 315 N 0.36 0.67 -0.19 4.20 3.32 -1.99 -1.59 116.42 121.19 3hg3 h ASP 315 Ca 0.26 -0.34 -0.18 0.00 0.02 0.00 0.00 57.03 56.78 3hg3 h ASP 315 Cb 0.28 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.65 3hg3 h ASP 315 CO -0.26 1.06 -0.58 0.58 -1.72 0.00 0.00 179.24 178.32 3hg3 h VAL 316 N 0.47 1.30 -0.79 -1.35 2.07 -1.89 -2.65 116.25 113.42 3hg3 h VAL 316 Ca 0.02 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 3hg3 h VAL 316 Cb 1.06 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 3hg3 h VAL 316 CO 0.10 0.57 0.38 0.40 0.02 0.00 0.00 177.57 179.04 3hg3 h ILE 317 N 0.45 1.25 -0.47 4.57 2.04 -1.18 -1.87 117.51 122.30 3hg3 h ILE 317 Ca -0.02 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3hg3 h ILE 317 Cb 1.20 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3hg3 h ILE 317 CO 0.12 0.30 0.28 0.00 0.00 0.00 0.00 178.15 178.86 3hg3 h ALA 318 N 1.28 1.61 0.17 1.87 0.00 -1.18 0.35 119.26 123.35 3hg3 h ALA 318 Ca 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3hg3 h ALA 318 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hg3 h ALA 318 CO -0.03 0.34 -0.08 0.82 0.00 0.00 0.00 179.25 180.30 3hg3 h ILE 319 N 0.65 0.94 -0.86 0.00 2.04 -1.06 -1.59 117.51 117.63 3hg3 h ILE 319 Ca 0.17 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.58 3hg3 h ILE 319 Cb -0.02 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3hg3 h ILE 319 CO -0.03 0.13 0.49 -1.13 0.00 0.00 0.00 178.15 177.61 3hg3 h ASN 320 N -0.50 0.68 -0.34 1.72 -0.73 -0.77 -2.26 115.58 113.39 3hg3 h ASN 320 Ca -0.02 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3hg3 h ASN 320 Cb 0.38 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.90 3hg3 h ASN 320 CO 0.04 0.36 0.00 0.00 -0.37 0.00 0.00 177.43 177.46 3hg3 n GLN 321 N -4.75 1.82 -1.63 6.67 1.13 0.12 -4.58 117.38 116.15 3hg3 n GLN 321 Ca 0.15 -1.27 -0.51 0.00 -1.94 0.00 0.00 57.00 53.44 3hg3 n GLN 321 Cb 0.33 -1.29 -0.06 0.00 0.11 0.00 0.00 30.24 29.34 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 0.53 2.24 0.25 1.08 2.03 -0.61 -4.84 116.55 117.24 3hg3 n ASP 322 Ca 0.12 1.09 0.10 0.00 0.52 0.00 0.00 54.79 56.62 3hg3 n ASP 322 Cb 0.30 -1.26 0.66 0.00 -0.72 0.00 0.00 41.12 40.11 3hg3 n ASP 322 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hg3 h PRO 323 N 5.59 0.00 -0.69 -0.67 0.11 -1.92 -2.10 132.00 132.32 3hg3 h PRO 323 Ca -0.47 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 3hg3 h PRO 323 Cb 1.31 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 3hg3 h PRO 323 CO 0.84 0.10 0.46 1.25 -0.21 0.00 0.00 178.00 180.44 3hg3 h LEU 324 N 0.00 0.63 0.63 2.35 5.85 -1.94 -3.47 115.31 119.35 3hg3 h LEU 324 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 3hg3 h LEU 324 Cb 0.21 -0.13 0.04 0.00 0.37 0.00 0.00 40.66 41.15 3hg3 h LEU 324 CO 0.01 0.41 -0.43 0.61 -0.34 0.00 0.00 178.44 178.70 3hg3 n GLY 325 N -1.46 -0.18 3.57 3.75 0.00 -0.79 -4.76 105.19 105.32 3hg3 n GLY 325 Ca 0.10 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.34 3.75 0.30 1.61 1.02 -1.26 -3.98 119.74 115.84 3hg3 s LYS 326 Ca 0.21 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.54 3hg3 s LYS 326 Cb -0.09 -3.73 -0.10 0.00 -0.52 0.00 0.00 37.83 33.38 3hg3 s LYS 326 CO 0.26 -0.35 1.37 -1.14 -0.92 0.00 0.00 175.35 174.58 3hg3 s GLN 327 N 1.86 4.30 0.51 1.68 0.74 -1.26 -4.53 119.66 122.96 3hg3 s GLN 327 Ca 0.09 2.27 -0.09 0.00 0.05 0.00 0.00 55.36 57.69 3hg3 s GLN 327 Cb -0.16 -3.08 0.12 0.00 1.10 0.00 0.00 33.01 30.99 3hg3 s GLN 327 CO 0.11 -0.31 0.59 0.41 -0.55 0.00 0.00 175.29 175.54 3hg3 n GLY 328 N 1.35 -1.81 3.68 2.59 0.00 0.13 -4.81 105.19 106.32 3hg3 n GLY 328 Ca 0.03 -1.60 -0.08 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 -2.20 -0.31 -0.23 1.61 -0.85 -0.36 -4.81 117.35 110.19 3hg3 s TYR 329 Ca 0.35 -0.03 -0.28 0.00 -0.52 0.00 0.00 57.07 56.60 3hg3 s TYR 329 Cb -0.02 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.97 3hg3 s TYR 329 CO 0.25 -1.01 0.97 -1.14 -1.52 0.00 0.00 175.55 173.11 3hg3 s GLN 330 N -3.73 4.24 -0.12 -3.49 0.74 -1.26 -1.19 119.66 114.86 3hg3 s GLN 330 Ca 0.07 1.23 -0.26 0.00 0.05 0.00 0.00 55.36 56.46 3hg3 s GLN 330 Cb -0.03 -3.64 -0.27 0.00 1.10 0.00 0.00 33.01 30.17 3hg3 s GLN 330 CO -0.01 -0.59 0.74 1.25 -0.55 0.00 0.00 175.29 176.13 3hg3 h LEU 331 N 9.33 0.15 -7.30 3.68 5.85 -0.30 -3.48 115.31 123.23 3hg3 h LEU 331 Ca -0.21 -0.94 -0.05 0.00 0.84 0.00 0.00 57.88 57.53 3hg3 h LEU 331 Cb 1.07 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.92 3hg3 h LEU 331 CO 0.94 1.18 -0.01 0.00 -0.34 0.00 0.00 178.44 180.21 3hg3 s ARG 332 N -2.30 1.10 0.00 1.25 1.70 -1.00 -5.01 118.95 114.69 3hg3 s ARG 332 Ca -0.18 -0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 54.35 3hg3 s ARG 332 Cb -0.01 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 3hg3 s ARG 332 CO 0.72 -0.44 0.22 1.14 -1.08 0.00 0.00 175.30 175.87 3hg3 s GLN 333 N -3.66 0.60 0.00 3.89 -2.07 -1.26 -0.79 119.66 116.36 3hg3 s GLN 333 Ca 0.02 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.20 3hg3 s GLN 333 Cb 0.01 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 3hg3 s GLN 333 CO -0.11 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.11 3hg3 n GLY 334 N 1.23 3.35 3.89 2.60 0.00 -0.73 -5.00 105.19 110.53 3hg3 n GLY 334 Ca -0.22 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.98 -2.40 1.61 4.64 -1.26 -1.35 116.55 112.81 3hg3 n ASP 335 Ca 0.00 -0.76 -0.13 0.00 -1.38 0.00 0.00 54.79 52.53 3hg3 n ASP 335 Cb 0.00 -3.99 -0.01 0.00 -1.04 0.00 0.00 41.12 36.09 3hg3 n ASP 335 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3hg3 n ASN 336 N -2.85 -3.95 -4.52 1.67 5.03 -1.26 -4.91 115.26 104.47 3hg3 n ASN 336 Ca 0.04 0.19 -0.28 0.00 0.87 0.00 0.00 54.58 55.40 3hg3 n ASN 336 Cb 0.53 -3.36 -0.10 0.00 -1.02 0.00 0.00 39.78 35.82 3hg3 n ASN 336 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3hg3 s PHE 337 N -2.61 2.58 -0.03 3.10 0.40 -0.46 0.01 117.98 120.98 3hg3 s PHE 337 Ca 0.00 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 3hg3 s PHE 337 Cb 0.00 -1.33 0.00 0.00 0.51 0.00 0.00 43.02 42.20 3hg3 s PHE 337 CO 0.00 0.44 -0.11 -1.21 0.70 0.00 0.00 175.22 175.04 3hg3 s GLU 338 N -2.41 1.13 -0.18 0.44 2.02 -0.32 -1.77 118.70 117.61 3hg3 s GLU 338 Ca 0.21 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 3hg3 s GLU 338 Cb -0.10 -1.04 -0.00 0.00 0.10 0.00 0.00 34.13 33.09 3hg3 s GLU 338 CO 0.12 0.15 -0.10 0.08 0.02 0.00 0.00 175.26 175.53 3hg3 s VAL 339 N 0.13 3.00 0.17 2.63 1.01 0.03 -0.38 120.40 126.98 3hg3 s VAL 339 Ca -0.03 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3hg3 s VAL 339 Cb -0.09 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3hg3 s VAL 339 CO 0.01 0.48 -0.16 0.26 0.00 0.00 0.00 175.10 175.68 3hg3 s TRP 340 N 1.10 2.51 0.04 5.22 0.52 0.66 0.48 118.94 129.47 3hg3 s TRP 340 Ca 0.01 -0.27 -0.09 0.00 0.02 0.00 0.00 56.10 55.76 3hg3 s TRP 340 Cb -0.15 -1.25 0.00 0.00 -1.15 0.00 0.00 33.47 30.92 3hg3 s TRP 340 CO -0.03 0.48 0.18 -1.83 0.02 0.00 0.00 176.95 175.77 3hg3 s GLU 341 N -2.63 0.68 -0.04 4.98 -1.05 -0.33 -0.40 118.70 119.92 3hg3 s GLU 341 Ca 0.22 -0.67 -0.00 0.00 -0.15 0.00 0.00 54.97 54.37 3hg3 s GLU 341 Cb -0.09 0.28 0.03 0.00 -0.44 0.00 0.00 34.13 33.91 3hg3 s GLU 341 CO 0.12 -0.19 0.01 0.50 0.95 0.00 0.00 175.26 176.65 3hg3 s ARG 342 N -2.63 0.33 0.23 -4.83 3.52 0.14 -1.23 118.95 114.47 3hg3 s ARG 342 Ca -0.05 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.39 3hg3 s ARG 342 Cb -0.01 -0.62 -0.09 0.00 -1.56 0.00 0.00 34.95 32.68 3hg3 s ARG 342 CO -0.04 -0.21 1.28 -1.25 -0.81 0.00 0.00 175.30 174.27 3hg3 s PRO 343 N 1.45 4.41 0.39 5.12 0.04 -1.26 -1.26 135.00 143.89 3hg3 s PRO 343 Ca -0.04 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.13 3hg3 s PRO 343 Cb -0.13 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 3hg3 s PRO 343 CO -0.03 -0.18 -0.01 -0.51 0.04 0.00 0.00 177.00 176.31 3hg3 s LEU 344 N -0.58 2.85 0.76 -3.56 1.43 0.72 -4.55 118.68 115.74 3hg3 s LEU 344 Ca 0.54 -1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 3hg3 s LEU 344 Cb -0.36 -0.95 0.05 0.00 0.03 0.00 0.00 46.19 44.96 3hg3 s LEU 344 CO 0.41 -0.38 1.18 -0.94 0.23 0.00 0.00 176.35 176.85 3hg3 s SER 345 N -3.69 4.09 -0.88 2.29 1.04 -1.26 -3.42 113.70 111.87 3hg3 s SER 345 Ca 0.34 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.04 3hg3 s SER 345 Cb 0.08 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.62 3hg3 s SER 345 CO 0.18 -2.33 0.00 0.61 0.98 0.00 0.00 173.24 172.68 3hg3 n GLY 346 N 0.18 -0.05 2.29 7.32 0.00 -1.26 -3.13 105.19 110.54 3hg3 n GLY 346 Ca 0.13 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.47 -1.15 -4.95 0.99 4.32 -1.23 -4.78 117.00 108.73 3hg3 n LEU 347 Ca -0.12 0.23 -0.24 0.00 -0.02 0.00 0.00 56.01 55.86 3hg3 n LEU 347 Cb 0.59 -2.16 0.02 0.00 -1.62 0.00 0.00 43.42 40.25 3hg3 n LEU 347 CO 0.14 -0.33 0.37 0.00 -1.22 0.00 0.00 177.39 176.34 3hg3 s ALA 348 N -2.48 3.64 -0.01 -1.18 0.00 -1.18 -4.27 121.76 116.27 3hg3 s ALA 348 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3hg3 s ALA 348 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.86 3hg3 s ALA 348 CO 0.00 -0.55 0.03 -1.58 0.00 0.00 0.00 175.76 173.66 3hg3 s TRP 349 N -2.71 -0.00 -0.12 0.00 0.52 -0.56 -0.20 118.94 115.87 3hg3 s TRP 349 Ca 0.51 0.02 -0.07 0.00 0.02 0.00 0.00 56.10 56.58 3hg3 s TRP 349 Cb -0.10 -0.01 -0.04 0.00 -1.15 0.00 0.00 33.47 32.17 3hg3 s TRP 349 CO 0.40 -0.05 0.14 0.00 0.02 0.00 0.00 176.95 177.46 3hg3 s ALA 350 N -0.19 3.86 -0.06 0.98 0.00 -0.39 0.45 121.76 126.41 3hg3 s ALA 350 Ca -0.02 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3hg3 s ALA 350 Cb -0.02 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.17 3hg3 s ALA 350 CO -0.00 0.62 -0.06 0.08 0.00 0.00 0.00 175.76 176.41 3hg3 s VAL 351 N -1.03 0.68 -0.11 0.00 1.01 0.29 -0.69 120.40 120.55 3hg3 s VAL 351 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3hg3 s VAL 351 Cb -0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 3hg3 s VAL 351 CO 0.04 0.27 -0.18 0.00 0.00 0.00 0.00 175.10 175.24 3hg3 s ALA 352 N 1.13 2.44 -0.21 5.51 0.00 0.47 0.23 121.76 131.33 3hg3 s ALA 352 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.97 3hg3 s ALA 352 Cb -0.14 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.00 3hg3 s ALA 352 CO -0.01 0.30 -0.16 -1.64 0.00 0.00 0.00 175.76 174.25 3hg3 s MET 353 N 0.21 2.64 -0.16 0.00 -1.94 -0.18 -0.24 119.30 119.63 3hg3 s MET 353 Ca -0.11 -1.02 -0.06 0.00 -1.71 0.00 0.00 55.69 52.79 3hg3 s MET 353 Cb -0.16 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 3hg3 s MET 353 CO 0.06 -0.36 0.03 0.42 -0.01 0.00 0.00 175.02 175.16 3hg3 s ILE 354 N 1.23 4.48 -0.50 2.53 1.01 0.48 -1.49 121.20 128.95 3hg3 s ILE 354 Ca -0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 3hg3 s ILE 354 Cb -0.16 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.38 3hg3 s ILE 354 CO -0.10 0.50 0.60 0.21 0.00 0.00 0.00 174.94 176.15 3hg3 s ASN 355 N 0.14 6.22 0.00 3.58 2.47 -0.82 -1.18 114.94 125.36 3hg3 s ASN 355 Ca 0.03 -0.88 0.26 0.00 0.42 0.00 0.00 52.86 52.68 3hg3 s ASN 355 Cb -0.13 -2.28 0.88 0.00 -1.45 0.00 0.00 41.25 38.27 3hg3 s ASN 355 CO 0.01 -0.85 1.64 0.54 -3.72 0.00 0.00 177.10 174.72 3hg3 n ARG 356 N 6.09 1.77 -2.67 0.43 5.12 0.10 -0.87 116.66 126.63 3hg3 n ARG 356 Ca -0.07 -1.13 -0.43 0.00 -1.93 0.00 0.00 57.85 54.30 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 -1.93 4.03 -0.68 5.56 0.74 -1.19 -4.87 119.66 121.31 3hg3 s GLN 357 Ca 0.36 0.98 -0.02 0.00 0.05 0.00 0.00 55.36 56.73 3hg3 s GLN 357 Cb 0.20 -3.75 0.37 0.00 1.10 0.00 0.00 33.01 30.93 3hg3 s GLN 357 CO 0.31 -0.91 2.08 0.39 -0.55 0.00 0.00 175.29 176.61 3hg3 n GLU 358 N 6.86 2.61 -3.57 1.67 1.02 -1.26 -4.21 120.64 123.77 3hg3 n GLU 358 Ca 0.11 -3.15 -0.14 0.00 -0.02 0.00 0.00 57.16 53.96 3hg3 n GLU 358 Cb 0.47 -2.21 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 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 -4.53 0.03 0.00 -3.67 2.07 -1.26 -5.07 121.20 108.77 3hg3 s ILE 359 Ca 0.57 -0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 3hg3 s ILE 359 Cb 0.46 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 42.08 3hg3 s ILE 359 CO -0.15 -0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.36 3hg3 n GLY 360 N 0.43 -0.91 0.00 1.50 0.00 -1.26 -4.91 105.19 100.04 3hg3 n GLY 360 Ca -0.18 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 5.02 3.64 -0.02 0.00 -1.26 -4.86 105.19 107.71 3hg3 n GLY 361 Ca 0.00 -2.16 -0.49 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.02 1.72 -4.80 1.61 -0.02 -1.26 -4.42 135.00 127.81 3hg3 n PRO 362 Ca 0.00 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 3hg3 n PRO 362 Cb 0.00 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 31.00 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 1.23 2.93 0.16 -0.52 3.52 -0.40 -4.79 118.95 121.08 3hg3 s ARG 363 Ca 0.84 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 3hg3 s ARG 363 Cb -0.81 -2.52 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 3hg3 s ARG 363 CO 0.44 0.45 1.22 0.45 -0.81 0.00 0.00 175.30 177.05 3hg3 s SER 364 N -0.27 7.05 -0.06 -2.12 0.15 -1.26 -1.38 113.70 115.81 3hg3 s SER 364 Ca 0.02 2.21 0.01 0.00 0.70 0.00 0.00 55.95 58.89 3hg3 s SER 364 Cb -0.13 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 3hg3 s SER 364 CO 0.03 -0.42 -0.05 -0.47 1.20 0.00 0.00 173.24 173.53 3hg3 s TYR 365 N 0.25 0.87 -0.10 3.44 5.04 0.13 -4.98 117.35 122.01 3hg3 s TYR 365 Ca 0.55 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.93 3hg3 s TYR 365 Cb -0.33 -0.79 -0.00 0.00 0.35 0.00 0.00 41.96 41.19 3hg3 s TYR 365 CO 0.35 -0.26 -0.23 0.99 -1.34 0.00 0.00 175.55 175.06 3hg3 s THR 366 N 1.18 2.17 -0.00 4.34 2.01 -1.26 -0.68 115.64 123.40 3hg3 s THR 366 Ca -0.07 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 60.97 3hg3 s THR 366 Cb -0.14 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 3hg3 s THR 366 CO -0.01 0.56 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.89 3hg3 s ILE 367 N 0.29 0.56 0.03 1.82 2.07 -0.56 -4.96 121.20 120.45 3hg3 s ILE 367 Ca -0.17 -0.33 -0.30 0.00 -1.41 0.00 0.00 60.65 58.44 3hg3 s ILE 367 Cb -0.17 -0.48 -0.06 0.00 0.13 0.00 0.00 42.46 41.88 3hg3 s ILE 367 CO 0.08 0.15 1.40 0.00 -1.91 0.00 0.00 174.94 174.65 3hg3 s ALA 368 N -0.20 3.58 0.42 1.50 0.00 -1.26 -0.46 121.76 125.34 3hg3 s ALA 368 Ca 0.02 0.95 0.38 0.00 0.00 0.00 0.00 51.96 53.32 3hg3 s ALA 368 Cb -0.03 -3.58 1.91 0.00 0.00 0.00 0.00 23.12 21.42 3hg3 s ALA 368 CO -0.00 -0.82 2.19 -0.39 0.00 0.00 0.00 175.76 176.73 3hg3 h VAL 369 N 4.74 0.08 0.00 0.00 -1.51 -1.70 -1.98 116.25 115.87 3hg3 h VAL 369 Ca -0.39 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 64.81 3hg3 h VAL 369 Cb 1.19 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.58 3hg3 h VAL 369 CO 0.89 0.01 -0.04 0.00 -1.23 0.00 0.00 177.57 177.20 3hg3 h ALA 370 N 1.99 1.25 0.00 5.19 0.00 -1.79 -1.78 119.26 124.11 3hg3 h ALA 370 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hg3 h ALA 370 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hg3 h ALA 370 CO 0.00 0.05 -0.08 0.66 0.00 0.00 0.00 179.25 179.88 3hg3 h SER 371 N 0.00 0.00 -3.67 0.00 4.64 -1.71 -3.30 113.55 109.51 3hg3 h SER 371 Ca -0.00 -0.02 -0.50 0.00 -0.47 0.00 0.00 61.79 60.79 3hg3 h SER 371 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3hg3 h SER 371 CO 0.01 0.01 0.17 -0.76 -0.87 0.00 0.00 176.83 175.39 3hg3 s LEU 372 N -4.77 4.31 -1.30 5.97 1.43 -0.67 -4.29 118.68 119.36 3hg3 s LEU 372 Ca 0.09 1.52 -0.02 0.00 -1.03 0.00 0.00 54.13 54.70 3hg3 s LEU 372 Cb 0.11 -3.75 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 3hg3 s LEU 372 CO 0.62 -0.02 0.67 0.61 0.23 0.00 0.00 176.35 178.46 3hg3 n GLY 373 N 0.58 -0.35 2.57 -3.19 0.00 -1.26 -1.59 105.19 101.94 3hg3 n GLY 373 Ca -0.01 0.16 -0.14 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 -4.25 -1.57 -1.02 1.61 5.02 -1.26 -1.41 118.16 115.28 3hg3 n LYS 374 Ca -0.28 0.95 -0.01 0.00 -2.02 0.00 0.00 58.31 56.95 3hg3 n LYS 374 Cb 0.67 -5.29 -0.00 0.00 -0.02 0.00 0.00 35.03 30.39 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 -0.03 0.45 0.00 0.72 0.00 -0.62 -4.91 105.19 100.81 3hg3 n GLY 375 Ca -0.14 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.97 0.01 -0.19 1.61 0.24 -0.50 -4.57 118.33 111.96 3hg3 n VAL 376 Ca -0.01 -0.08 -0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3hg3 n VAL 376 Cb 0.03 0.35 0.10 0.00 -1.47 0.00 0.00 33.84 32.85 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 0.29 0.69 -0.10 2.33 0.00 -1.65 -3.04 119.26 117.78 3hg3 h ALA 377 Ca -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hg3 h ALA 377 Cb 0.21 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hg3 h ALA 377 CO 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 179.25 178.63 3hg3 s ASN 379 N -3.00 5.08 0.34 0.00 3.04 -1.15 -1.77 114.94 117.48 3hg3 s ASN 379 Ca 0.39 -0.39 0.25 0.00 0.04 0.00 0.00 52.86 53.15 3hg3 s ASN 379 Cb 0.37 -1.90 0.57 0.00 -1.54 0.00 0.00 41.25 38.75 3hg3 s ASN 379 CO -0.04 -0.09 1.69 1.55 -3.04 0.00 0.00 177.10 177.17 3hg3 h PRO 380 N 8.24 0.00 -2.88 0.43 0.13 -1.92 -3.47 132.00 132.53 3hg3 h PRO 380 Ca -0.36 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 3hg3 h PRO 380 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 3hg3 h PRO 380 CO 0.59 0.00 0.26 0.00 -0.23 0.00 0.00 178.00 178.62 3hg3 s ALA 381 N -3.17 -1.55 0.06 -0.56 0.00 -0.73 -0.32 121.76 115.49 3hg3 s ALA 381 Ca 0.08 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3hg3 s ALA 381 Cb 0.08 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 3hg3 s ALA 381 CO 0.63 -0.83 -0.08 0.00 0.00 0.00 0.00 175.76 175.48 3hg3 s PHE 383 N -1.94 3.46 -0.15 0.00 5.36 0.80 -0.00 117.98 125.51 3hg3 s PHE 383 Ca -0.04 0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 56.48 3hg3 s PHE 383 Cb -0.06 -2.31 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 3hg3 s PHE 383 CO -0.01 0.26 -0.10 0.42 -1.46 0.00 0.00 175.22 174.33 3hg3 s ILE 384 N 0.41 3.27 -0.14 3.12 1.01 -0.55 -0.99 121.20 127.33 3hg3 s ILE 384 Ca 0.15 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3hg3 s ILE 384 Cb -0.13 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 3hg3 s ILE 384 CO 0.03 0.51 -0.17 -0.89 0.00 0.00 0.00 174.94 174.42 3hg3 s THR 385 N 0.48 2.61 0.08 2.92 2.01 -0.38 -0.65 115.64 122.71 3hg3 s THR 385 Ca -0.07 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3hg3 s THR 385 Cb -0.15 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 3hg3 s THR 385 CO 0.04 0.53 0.97 -1.58 -0.69 0.00 0.00 174.62 173.88 3hg3 s GLN 386 N 0.66 4.66 -0.15 4.92 0.74 0.12 -0.21 119.66 130.40 3hg3 s GLN 386 Ca -0.08 1.44 0.06 0.00 0.05 0.00 0.00 55.36 56.83 3hg3 s GLN 386 Cb -0.16 -3.40 -0.13 0.00 1.10 0.00 0.00 33.01 30.42 3hg3 s GLN 386 CO 0.02 0.13 -0.06 1.28 -0.55 0.00 0.00 175.29 176.11 3hg3 n LEU 387 N 3.12 1.64 -4.07 3.68 4.77 0.11 -0.72 117.00 125.53 3hg3 n LEU 387 Ca 0.03 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 3hg3 n LEU 387 Cb 0.50 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 3hg3 n LEU 387 CO 0.51 0.58 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.98 3hg3 s LEU 388 N -5.52 2.24 0.39 2.23 1.43 -1.11 -3.66 118.68 114.69 3hg3 s LEU 388 Ca -0.15 -0.53 0.28 0.00 -1.03 0.00 0.00 54.13 52.69 3hg3 s LEU 388 Cb 0.05 -0.22 0.95 0.00 0.03 0.00 0.00 46.19 47.01 3hg3 s LEU 388 CO 0.46 -0.17 1.80 1.55 0.23 0.00 0.00 176.35 180.21 3hg3 h PRO 389 N 4.58 0.00 -5.27 1.29 0.13 -1.89 -1.55 132.00 129.28 3hg3 h PRO 389 Ca -0.36 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.38 3hg3 h PRO 389 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 3hg3 h PRO 389 CO 0.41 0.00 -0.76 0.14 -0.23 0.00 0.00 178.00 177.56 3hg3 s VAL 390 N -3.38 1.16 -0.12 1.56 -7.23 -1.26 -5.13 120.40 106.00 3hg3 s VAL 390 Ca 0.05 -1.57 -0.26 0.00 -1.81 0.00 0.00 61.98 58.39 3hg3 s VAL 390 Cb 0.09 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 3hg3 s VAL 390 CO 0.54 -0.39 0.85 -0.75 -0.31 0.00 0.00 175.10 175.03 3hg3 s LYS 391 N -2.41 4.37 -0.24 4.82 2.20 -1.24 -3.99 119.74 123.25 3hg3 s LYS 391 Ca 0.05 1.09 -0.10 0.00 -0.36 0.00 0.00 55.97 56.64 3hg3 s LYS 391 Cb -0.06 -3.53 0.10 0.00 -1.51 0.00 0.00 37.83 32.82 3hg3 s LYS 391 CO 0.02 -0.22 0.55 1.03 -0.36 0.00 0.00 175.35 176.38 3hg3 s ARG 392 N 1.73 0.50 -0.14 4.03 0.52 0.10 -4.99 118.95 120.70 3hg3 s ARG 392 Ca 0.41 1.18 -0.29 0.00 -0.52 0.00 0.00 55.73 56.50 3hg3 s ARG 392 Cb -0.18 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 3hg3 s ARG 392 CO 0.16 -0.20 1.34 0.15 0.02 0.00 0.00 175.30 176.77 3hg3 s LYS 393 N 2.29 4.23 0.05 3.54 1.02 -1.26 0.16 119.74 129.76 3hg3 s LYS 393 Ca -0.06 1.77 0.19 0.00 0.02 0.00 0.00 55.97 57.89 3hg3 s LYS 393 Cb -0.10 -3.80 -0.16 0.00 -0.52 0.00 0.00 37.83 33.25 3hg3 s LYS 393 CO -0.16 -0.72 0.72 1.28 -0.92 0.00 0.00 175.35 175.54 3hg3 n LEU 394 N 6.65 0.58 0.00 3.17 4.77 0.17 -4.94 117.00 127.39 3hg3 n LEU 394 Ca 0.14 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3hg3 n LEU 394 Cb 0.44 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3hg3 n LEU 394 CO 0.57 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3hg3 n GLY 395 N 1.35 -0.60 3.72 -0.72 0.00 -1.15 -4.95 105.19 102.85 3hg3 n GLY 395 Ca -0.09 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.27 3.60 -0.20 1.61 0.08 -1.26 -1.48 117.98 120.07 3hg3 s PHE 396 Ca 0.00 1.37 0.02 0.00 0.12 0.00 0.00 56.93 58.43 3hg3 s PHE 396 Cb 0.00 -2.88 0.04 0.00 -0.57 0.00 0.00 43.02 39.61 3hg3 s PHE 396 CO 0.00 0.07 -0.16 0.71 -0.10 0.00 0.00 175.22 175.75 3hg3 s TYR 397 N 0.81 2.85 0.76 0.36 1.51 0.99 -4.98 117.35 119.65 3hg3 s TYR 397 Ca 0.41 -1.82 -0.11 0.00 -1.01 0.00 0.00 57.07 54.54 3hg3 s TYR 397 Cb -0.19 -1.87 0.05 0.00 -0.11 0.00 0.00 41.96 39.84 3hg3 s TYR 397 CO 0.21 -0.81 1.08 -1.83 -1.11 0.00 0.00 175.55 173.08 3hg3 s GLU 398 N 1.26 2.40 0.37 -0.62 -1.05 -1.26 -0.94 118.70 118.86 3hg3 s GLU 398 Ca -0.00 1.04 0.17 0.00 -0.15 0.00 0.00 54.97 56.03 3hg3 s GLU 398 Cb -0.16 -1.92 1.11 0.00 -0.44 0.00 0.00 34.13 32.72 3hg3 s GLU 398 CO -0.10 -1.51 1.71 2.35 0.95 0.00 0.00 175.26 178.66 3hg3 h TRP 399 N -1.02 0.79 -0.02 4.83 2.91 -0.48 -1.32 115.95 121.64 3hg3 h TRP 399 Ca -0.44 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.61 3hg3 h TRP 399 Cb 1.23 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 3hg3 h TRP 399 CO 0.57 -0.05 -0.09 0.25 -1.03 0.00 0.00 178.44 178.10 3hg3 n THR 400 N -4.81 0.00 -1.97 2.65 -2.24 -1.26 -3.58 114.28 103.07 3hg3 n THR 400 Ca 0.30 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3hg3 n THR 400 Cb 0.98 0.84 0.08 0.00 -2.10 0.00 0.00 70.33 70.12 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 -2.12 4.77 0.05 3.42 1.04 -0.50 -4.91 113.70 115.44 3hg3 s SER 401 Ca 0.31 0.79 0.09 0.00 0.48 0.00 0.00 55.95 57.62 3hg3 s SER 401 Cb 0.20 -1.38 -0.03 0.00 0.10 0.00 0.00 66.02 64.91 3hg3 s SER 401 CO 0.38 -1.72 -0.25 -0.13 0.98 0.00 0.00 173.24 172.50 3hg3 s ARG 402 N -5.46 1.83 -0.21 4.02 0.52 -1.26 -2.17 118.95 116.22 3hg3 s ARG 402 Ca 0.61 -1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3hg3 s ARG 402 Cb -0.11 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 3hg3 s ARG 402 CO 0.49 0.51 0.01 -1.17 0.02 0.00 0.00 175.30 175.16 3hg3 s LEU 403 N -1.33 3.30 -0.16 2.53 0.20 0.39 -4.94 118.68 118.67 3hg3 s LEU 403 Ca 0.12 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.71 3hg3 s LEU 403 Cb -0.10 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 3hg3 s LEU 403 CO 0.03 0.05 -0.03 -0.60 -0.29 0.00 0.00 176.35 175.51 3hg3 s ARG 404 N 1.09 3.67 0.10 1.98 3.52 -1.26 -1.50 118.95 126.55 3hg3 s ARG 404 Ca 0.03 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 3hg3 s ARG 404 Cb -0.14 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 3hg3 s ARG 404 CO 0.02 0.21 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.48 3hg3 s SER 405 N 0.44 1.66 -0.19 -2.12 0.01 0.15 -4.98 113.70 108.67 3hg3 s SER 405 Ca -0.03 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.42 3hg3 s SER 405 Cb -0.14 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 3hg3 s SER 405 CO 0.03 -0.18 -0.04 -1.00 0.41 0.00 0.00 173.24 172.46 3hg3 s HIS 406 N -2.08 2.98 -0.13 2.43 3.76 -1.26 0.22 115.29 121.21 3hg3 s HIS 406 Ca 0.05 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.39 3hg3 s HIS 406 Cb -0.05 -2.04 0.01 0.00 1.11 0.00 0.00 32.58 31.61 3hg3 s HIS 406 CO 0.01 -0.29 -0.19 0.42 -0.85 0.00 0.00 174.74 173.85 3hg3 s ILE 407 N 0.94 1.82 0.52 0.60 1.01 -0.48 -4.84 121.20 120.78 3hg3 s ILE 407 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 3hg3 s ILE 407 Cb -0.15 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.64 3hg3 s ILE 407 CO 0.01 0.50 1.39 0.20 0.00 0.00 0.00 174.94 177.05 3hg3 s ASN 408 N 0.90 5.40 0.03 3.58 0.01 -1.26 -1.27 114.94 122.32 3hg3 s ASN 408 Ca -0.06 2.84 -0.36 0.00 -0.71 0.00 0.00 52.86 54.57 3hg3 s ASN 408 Cb -0.15 -2.64 -0.15 0.00 0.41 0.00 0.00 41.25 38.72 3hg3 s ASN 408 CO -0.02 -1.49 1.58 -2.65 -1.51 0.00 0.00 177.10 173.00 3hg3 n PRO 409 N -0.81 1.67 -0.76 -0.60 -0.02 -1.26 -0.78 135.00 132.43 3hg3 n PRO 409 Ca 0.09 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3hg3 n PRO 409 Cb 0.44 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.59 0.00 -2.57 3.45 -2.24 -0.05 -4.87 114.28 111.59 3hg3 n THR 410 Ca 0.20 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.75 3hg3 n THR 410 Cb 0.23 -0.35 0.07 0.00 -2.10 0.00 0.00 70.33 68.18 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 1.79 -0.01 3.38 0.00 0.04 -3.77 107.32 106.76 3hg3 s GLY 411 Ca 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.29 3hg3 s GLY 411 CO 0.00 -1.03 -0.03 -1.59 0.00 0.00 0.00 173.10 170.44 3hg3 s THR 412 N -2.96 0.28 -0.25 0.90 2.01 -1.26 -1.94 115.64 112.41 3hg3 s THR 412 Ca 0.61 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.38 3hg3 s THR 412 Cb -0.08 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 3hg3 s THR 412 CO 0.41 0.09 0.16 -0.69 -0.69 0.00 0.00 174.62 173.90 3hg3 s VAL 413 N 0.06 5.28 -0.18 3.82 1.01 -0.55 -3.89 120.40 125.95 3hg3 s VAL 413 Ca -0.00 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3hg3 s VAL 413 Cb -0.03 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3hg3 s VAL 413 CO -0.00 0.33 -0.02 -0.22 0.00 0.00 0.00 175.10 175.18 3hg3 s LEU 414 N 1.24 3.27 0.18 3.92 2.96 -0.58 -1.01 118.68 128.65 3hg3 s LEU 414 Ca 0.07 -0.15 0.11 0.00 -0.22 0.00 0.00 54.13 53.94 3hg3 s LEU 414 Cb -0.14 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3hg3 s LEU 414 CO 0.06 0.12 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.21 3hg3 s LEU 415 N 0.64 2.41 -0.12 -0.68 1.43 0.14 0.08 118.68 122.57 3hg3 s LEU 415 Ca -0.01 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3hg3 s LEU 415 Cb -0.14 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.89 3hg3 s LEU 415 CO 0.02 0.14 -0.22 -1.58 0.23 0.00 0.00 176.35 174.94 3hg3 s GLN 416 N -2.50 3.09 -0.18 1.70 0.74 0.70 -0.55 119.66 122.67 3hg3 s GLN 416 Ca 0.19 -0.84 -0.05 0.00 0.05 0.00 0.00 55.36 54.71 3hg3 s GLN 416 Cb -0.09 -2.39 -0.03 0.00 1.10 0.00 0.00 33.01 31.61 3hg3 s GLN 416 CO 0.09 0.12 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.43 3hg3 s LEU 417 N 0.49 3.32 -0.18 3.68 1.02 0.17 -1.25 118.68 125.94 3hg3 s LEU 417 Ca -0.14 -0.13 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 3hg3 s LEU 417 Cb -0.17 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 3hg3 s LEU 417 CO 0.05 0.13 -0.10 -1.61 0.02 0.00 0.00 176.35 174.84 3hg3 s GLU 418 N 0.61 3.34 0.13 1.70 8.01 -0.16 -1.49 118.70 130.84 3hg3 s GLU 418 Ca -0.01 -0.67 -0.31 0.00 0.01 0.00 0.00 54.97 53.98 3hg3 s GLU 418 Cb -0.14 -2.80 -0.09 0.00 -4.31 0.00 0.00 34.13 26.80 3hg3 s GLU 418 CO 0.02 -0.02 1.43 1.21 0.01 0.00 0.00 175.26 177.92 3hg3 s ASN 419 N 0.96 6.76 0.54 -0.19 3.84 -1.25 -0.14 114.94 125.46 3hg3 s ASN 419 Ca -0.01 2.41 0.20 0.00 0.21 0.00 0.00 52.86 55.66 3hg3 s ASN 419 Cb -0.15 -2.59 1.42 0.00 -0.55 0.00 0.00 41.25 39.38 3hg3 s ASN 419 CO -0.01 -0.69 2.18 0.71 -2.79 0.00 0.00 177.10 176.50 3hg3 h THR 420 N 4.16 0.87 -0.22 -5.21 1.35 -1.64 -1.08 112.91 111.16 3hg3 h THR 420 Ca -0.42 -0.01 -0.12 0.00 -0.55 0.00 0.00 66.41 65.31 3hg3 h THR 420 Cb 1.21 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 3hg3 h THR 420 CO 0.87 0.00 -0.39 0.24 -0.25 0.00 0.00 175.52 176.00 3hg3 h MET 421 N 0.00 0.49 -0.53 4.72 2.86 -1.91 -2.67 114.93 117.89 3hg3 h MET 421 Ca -0.00 -0.24 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 3hg3 h MET 421 Cb 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3hg3 h MET 421 CO 0.00 0.80 -0.07 0.37 1.06 0.00 0.00 176.91 179.07 3hg3 h GLN 422 N 0.41 0.96 -0.12 1.72 5.75 -1.56 -2.84 115.11 119.44 3hg3 h GLN 422 Ca 0.04 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 3hg3 h GLN 422 Cb 0.86 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 3hg3 h GLN 422 CO 0.07 1.00 0.03 0.52 -2.65 0.00 0.00 178.83 177.80 3hg3 h MET 423 N 0.87 0.19 -0.21 1.69 2.86 -1.27 -3.15 114.93 115.92 3hg3 h MET 423 Ca 0.14 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3hg3 h MET 423 Cb 0.61 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3hg3 h MET 423 CO 0.04 0.35 -0.43 0.66 1.06 0.00 0.00 176.91 178.60 3hg3 h SER 424 N -0.00 0.54 -2.00 1.22 4.64 -1.56 -3.40 113.55 112.99 3hg3 h SER 424 Ca 0.04 -0.25 -0.50 0.00 -0.47 0.00 0.00 61.79 60.61 3hg3 h SER 424 Cb 0.25 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 3hg3 h SER 424 CO 0.00 0.90 1.23 -0.22 -0.87 0.00 0.00 176.83 177.87 3hg3 s LEU 425 N -8.44 3.25 0.00 5.97 2.96 -1.07 -5.13 118.68 116.21 3hg3 s LEU 425 Ca -0.07 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3hg3 s LEU 425 Cb 0.12 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.27 3hg3 s LEU 425 CO 0.82 -2.20 0.00 0.29 -1.32 0.00 0.00 176.35 173.94