#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hg3 s LYS 3 N 0.00 0.83 0.18 0.00 -0.14 -1.26 -4.94 119.74 114.41 1hg3 s LYS 3 Ca 0.00 -0.83 0.02 0.00 -1.36 0.00 0.00 55.97 53.80 1hg3 s LYS 3 Cb 0.00 0.35 -0.04 0.00 -1.68 0.00 0.00 37.83 36.46 1hg3 s LYS 3 CO 0.00 -0.27 0.32 -0.51 -0.76 0.00 0.00 175.35 174.14 1hg3 s LEU 4 N -2.63 4.30 -0.46 3.17 1.43 -1.26 -5.01 118.68 118.22 1hg3 s LEU 4 Ca 0.02 0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1hg3 s LEU 4 Cb 0.03 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1hg3 s LEU 4 CO -0.09 0.01 1.92 -0.75 0.23 0.00 0.00 176.35 177.67 1hg3 s LYS 5 N -3.37 2.87 0.00 1.70 2.20 -1.26 -4.89 119.74 116.99 1hg3 s LYS 5 Ca 0.36 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 1hg3 s LYS 5 Cb -0.11 -4.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 1hg3 s LYS 5 CO 0.29 -2.42 0.00 0.39 -0.36 0.00 0.00 175.35 173.25 1hg3 n GLU 6 N 8.83 0.00 -1.55 4.03 -0.58 -1.26 -4.31 120.64 125.80 1hg3 n GLU 6 Ca 0.24 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.56 1hg3 n GLU 6 Cb 0.50 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.32 1hg3 n GLU 6 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1hg3 n PRO 7 N -0.18 1.33 -4.85 3.49 -0.02 -1.24 -4.48 135.00 129.05 1hg3 n PRO 7 Ca 0.00 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 1hg3 n PRO 7 Cb 0.00 -3.08 -0.13 0.00 -0.02 0.00 0.00 33.50 30.27 1hg3 n PRO 7 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1hg3 s ILE 8 N 9.72 3.10 -0.29 4.25 1.01 -0.30 -3.54 121.20 135.15 1hg3 s ILE 8 Ca 1.04 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.01 1hg3 s ILE 8 Cb -0.42 -2.24 0.08 0.00 0.01 0.00 0.00 42.46 39.89 1hg3 s ILE 8 CO 0.35 0.58 0.00 -0.63 0.00 0.00 0.00 174.94 175.24 1hg3 s ILE 9 N -0.49 1.80 -0.30 2.92 -1.09 -0.69 0.83 121.20 124.18 1hg3 s ILE 9 Ca 0.06 -1.74 -0.08 0.00 -2.23 0.00 0.00 60.65 56.67 1hg3 s ILE 9 Cb -0.12 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1hg3 s ILE 9 CO 0.02 -0.38 0.10 0.00 -1.23 0.00 0.00 174.94 173.45 1hg3 s ALA 10 N 1.20 3.13 -0.32 9.38 0.00 0.64 0.21 121.76 136.00 1hg3 s ALA 10 Ca 0.03 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 1hg3 s ALA 10 Cb -0.19 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 1hg3 s ALA 10 CO -0.10 -0.88 0.39 0.42 0.00 0.00 0.00 175.76 175.58 1hg3 s ILE 11 N 1.54 5.15 -0.52 0.00 1.01 0.17 -1.45 121.20 127.10 1hg3 s ILE 11 Ca 0.03 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 1hg3 s ILE 11 Cb -0.17 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.56 1hg3 s ILE 11 CO 0.04 -0.02 0.68 0.21 0.00 0.00 0.00 174.94 175.85 1hg3 s ASN 12 N 1.71 6.24 0.46 3.58 2.47 0.11 -1.02 114.94 128.50 1hg3 s ASN 12 Ca 0.14 -0.84 0.32 0.00 0.42 0.00 0.00 52.86 52.90 1hg3 s ASN 12 Cb -0.16 -2.32 1.54 0.00 -1.45 0.00 0.00 41.25 38.86 1hg3 s ASN 12 CO 0.11 -0.96 1.96 -0.26 -3.72 0.00 0.00 177.10 174.23 1hg3 h PHE 13 N 9.06 0.00 0.00 0.43 -1.00 -1.72 -3.39 116.94 120.32 1hg3 h PHE 13 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 1hg3 h PHE 13 Cb 1.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1hg3 h PHE 13 CO 0.78 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 179.11 1hg3 n LYS 14 N -2.69 0.00 -0.75 1.51 5.02 -1.26 -2.84 118.16 117.15 1hg3 n LYS 14 Ca -0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.31 1hg3 n LYS 14 Cb 0.16 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.20 1hg3 n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1hg3 n THR 15 N 0.00 0.40 -2.05 -0.18 5.66 -1.26 -4.46 114.28 112.38 1hg3 n THR 15 Ca 0.00 -0.82 -0.41 0.00 -3.05 0.00 0.00 64.05 59.77 1hg3 n THR 15 Cb 0.00 0.50 -0.02 0.00 -1.55 0.00 0.00 70.33 69.26 1hg3 n THR 15 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1hg3 s TYR 16 N -0.60 2.98 0.48 1.09 2.02 -1.13 -4.92 117.35 117.28 1hg3 s TYR 16 Ca 0.17 1.30 0.16 0.00 -0.37 0.00 0.00 57.07 58.33 1hg3 s TYR 16 Cb 0.18 -3.76 1.17 0.00 -0.40 0.00 0.00 41.96 39.15 1hg3 s TYR 16 CO -0.05 -2.18 2.07 0.97 -1.57 0.00 0.00 175.55 174.79 1hg3 h ILE 17 N 3.14 1.03 0.00 2.71 6.09 -1.96 0.28 117.51 128.80 1hg3 h ILE 17 Ca -0.48 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.67 1hg3 h ILE 17 Cb 1.23 1.18 0.00 0.00 0.47 0.00 0.00 36.82 39.70 1hg3 h ILE 17 CO 0.68 0.10 0.00 -0.33 -3.07 0.00 0.00 178.15 175.53 1hg3 h GLU 18 N 0.00 0.00 -1.02 2.19 3.07 -1.91 -2.94 114.58 113.97 1hg3 h GLU 18 Ca -0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 1hg3 h GLU 18 Cb 0.18 0.00 -0.43 0.00 -0.84 0.00 0.00 28.75 27.66 1hg3 h GLU 18 CO 0.01 0.00 -0.80 0.00 -1.40 0.00 0.00 179.01 176.82 1hg3 n ALA 19 N -1.95 4.95 -2.41 3.43 0.00 0.07 -4.08 120.51 120.52 1hg3 n ALA 19 Ca 0.02 -3.94 -0.30 0.00 0.00 0.00 0.00 53.44 49.22 1hg3 n ALA 19 Cb 0.30 -0.42 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 1hg3 n ALA 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hg3 s THR 20 N -4.89 2.43 0.00 0.00 2.01 -1.08 -4.48 115.64 109.63 1hg3 s THR 20 Ca 0.49 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1hg3 s THR 20 Cb 0.40 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.88 1hg3 s THR 20 CO -0.04 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1hg3 n GLY 21 N 1.27 1.75 0.36 4.40 0.00 -1.26 -0.70 105.19 111.00 1hg3 n GLY 21 Ca -0.17 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1hg3 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hg3 h LYS 22 N 0.00 1.02 0.00 1.61 1.57 -1.97 0.15 116.57 118.96 1hg3 h LYS 22 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1hg3 h LYS 22 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1hg3 h LYS 22 CO 0.00 0.68 -0.39 0.00 -0.57 0.00 0.00 179.45 179.16 1hg3 h ARG 23 N 1.05 0.00 -0.35 3.15 3.08 -1.48 -0.20 114.38 119.64 1hg3 h ARG 23 Ca 0.44 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.37 1hg3 h ARG 23 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1hg3 h ARG 23 CO -0.21 0.39 -0.26 0.00 -1.07 0.00 0.00 179.97 178.83 1hg3 h ALA 24 N 1.61 0.50 -0.60 0.04 0.00 0.14 -2.52 119.26 118.42 1hg3 h ALA 24 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1hg3 h ALA 24 Cb 0.74 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1hg3 h ALA 24 CO 0.05 0.50 0.33 1.25 0.00 0.00 0.00 179.25 181.37 1hg3 h LEU 25 N 0.56 0.74 -0.22 0.00 5.85 -0.08 -1.72 115.31 120.44 1hg3 h LEU 25 Ca 0.07 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1hg3 h LEU 25 Cb 0.82 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1hg3 h LEU 25 CO 0.07 0.60 0.14 -0.33 -0.34 0.00 0.00 178.44 178.57 1hg3 h GLU 26 N 0.84 0.29 -0.43 1.25 5.08 -0.72 -1.39 114.58 119.49 1hg3 h GLU 26 Ca 0.21 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1hg3 h GLU 26 Cb 0.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1hg3 h GLU 26 CO -0.03 0.22 -0.13 0.82 -1.00 0.00 0.00 179.01 178.88 1hg3 h ILE 27 N 0.28 1.26 -0.64 3.13 2.04 -1.04 -1.22 117.51 121.32 1hg3 h ILE 27 Ca 0.08 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 1hg3 h ILE 27 Cb -0.00 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1hg3 h ILE 27 CO -0.02 0.41 0.19 0.00 0.00 0.00 0.00 178.15 178.74 1hg3 h ALA 28 N 1.14 1.13 -0.26 1.87 0.00 -1.10 0.15 119.26 122.18 1hg3 h ALA 28 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1hg3 h ALA 28 Cb 0.62 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hg3 h ALA 28 CO 0.04 0.60 -0.43 0.87 0.00 0.00 0.00 179.25 180.33 1hg3 h LYS 29 N 0.95 0.65 -0.42 0.00 1.57 -0.94 0.78 116.57 119.15 1hg3 h LYS 29 Ca 0.21 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1hg3 h LYS 29 Cb 0.28 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1hg3 h LYS 29 CO -0.01 0.95 0.20 0.00 -0.57 0.00 0.00 179.45 180.03 1hg3 h ALA 30 N 1.00 0.54 -0.60 3.86 0.00 -0.63 -0.08 119.26 123.33 1hg3 h ALA 30 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1hg3 h ALA 30 Cb 0.96 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1hg3 h ALA 30 CO 0.09 0.10 0.33 0.00 0.00 0.00 0.00 179.25 179.77 1hg3 h ALA 31 N 1.05 0.77 -0.50 0.00 0.00 -0.40 -1.97 119.26 118.21 1hg3 h ALA 31 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1hg3 h ALA 31 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1hg3 h ALA 31 CO -0.02 0.29 0.06 1.49 0.00 0.00 0.00 179.25 181.07 1hg3 h GLU 32 N 0.82 0.80 0.38 0.00 4.81 -0.56 -1.89 114.58 118.94 1hg3 h GLU 32 Ca 0.21 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1hg3 h GLU 32 Cb 0.04 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1hg3 h GLU 32 CO -0.03 0.77 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.61 1hg3 h LYS 33 N 0.76 -0.50 -0.31 1.92 3.64 -0.57 -0.10 116.57 121.41 1hg3 h LYS 33 Ca 0.16 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1hg3 h LYS 33 Cb 0.37 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1hg3 h LYS 33 CO 0.01 -0.28 0.22 0.28 -2.27 0.00 0.00 179.45 177.41 1hg3 h VAL 34 N -0.60 0.86 -0.10 2.00 2.07 -1.24 -1.50 116.25 117.74 1hg3 h VAL 34 Ca -0.05 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1hg3 h VAL 34 Cb 0.44 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1hg3 h VAL 34 CO 0.09 0.00 -0.11 0.22 0.02 0.00 0.00 177.57 177.79 1hg3 h TYR 35 N 0.02 0.30 -0.49 1.57 3.20 -0.61 -2.89 116.97 118.07 1hg3 h TYR 35 Ca 0.14 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1hg3 h TYR 35 Cb 0.55 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1hg3 h TYR 35 CO -0.00 0.69 0.32 0.87 -1.64 0.00 0.00 178.16 178.41 1hg3 h LYS 36 N -0.18 0.52 -0.77 1.82 1.57 -0.03 0.84 116.57 120.34 1hg3 h LYS 36 Ca 0.01 -0.03 -0.41 0.00 -1.87 0.00 0.00 60.65 58.35 1hg3 h LYS 36 Cb 0.65 -0.12 -0.24 0.00 0.08 0.00 0.00 32.23 32.60 1hg3 h LYS 36 CO 0.03 0.34 0.38 0.39 -0.57 0.00 0.00 179.45 180.02 1hg3 n GLU 37 N -4.47 2.15 0.00 3.15 1.02 -0.86 -4.55 120.64 117.07 1hg3 n GLU 37 Ca 0.06 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1hg3 n GLU 37 Cb 0.16 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1hg3 n GLU 37 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1hg3 n THR 38 N -1.12 0.00 0.00 2.62 -1.04 -0.97 -5.02 114.28 108.75 1hg3 n THR 38 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1hg3 n THR 38 Cb 1.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 1hg3 n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hg3 n GLY 39 N -0.40 1.88 3.74 3.41 0.00 0.25 -5.03 105.19 109.04 1hg3 n GLY 39 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1hg3 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hg3 s VAL 40 N -2.40 3.58 0.07 1.61 1.01 -1.26 -4.97 120.40 118.04 1hg3 s VAL 40 Ca 0.00 1.32 -0.31 0.00 0.00 0.00 0.00 61.98 63.00 1hg3 s VAL 40 Cb 0.00 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1hg3 s VAL 40 CO 0.00 0.21 1.79 -0.89 0.00 0.00 0.00 175.10 176.21 1hg3 s THR 41 N -0.02 2.90 -0.28 3.92 2.01 -1.23 -4.66 115.64 118.28 1hg3 s THR 41 Ca 0.53 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.78 1hg3 s THR 41 Cb -0.33 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.11 1hg3 s THR 41 CO 0.36 -0.01 0.01 -0.63 -0.69 0.00 0.00 174.62 173.67 1hg3 s ILE 42 N 3.24 1.57 0.03 1.82 -1.09 -1.26 -1.70 121.20 123.82 1hg3 s ILE 42 Ca 0.80 -1.57 -0.17 0.00 -2.23 0.00 0.00 60.65 57.48 1hg3 s ILE 42 Cb -0.42 -2.01 -0.06 0.00 -1.58 0.00 0.00 42.46 38.39 1hg3 s ILE 42 CO 0.36 -0.38 0.50 -0.69 -1.23 0.00 0.00 174.94 173.50 1hg3 s VAL 43 N 1.32 4.89 -0.08 2.92 1.01 0.13 -4.21 120.40 126.38 1hg3 s VAL 43 Ca 0.02 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.10 1hg3 s VAL 43 Cb -0.18 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1hg3 s VAL 43 CO -0.11 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.61 1hg3 s VAL 44 N -0.94 1.95 -0.55 2.92 1.01 -0.75 0.42 120.40 124.46 1hg3 s VAL 44 Ca 0.27 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1hg3 s VAL 44 Cb -0.18 -1.68 0.14 0.00 0.00 0.00 0.00 36.38 34.66 1hg3 s VAL 44 CO 0.16 0.54 0.30 0.00 0.00 0.00 0.00 175.10 176.10 1hg3 s ALA 45 N 0.21 3.38 0.71 5.51 0.00 -0.18 -0.08 121.76 131.31 1hg3 s ALA 45 Ca -0.14 -3.32 -0.11 0.00 0.00 0.00 0.00 51.96 48.39 1hg3 s ALA 45 Cb -0.16 -2.22 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1hg3 s ALA 45 CO 0.07 -2.04 1.09 -2.14 0.00 0.00 0.00 175.76 172.74 1hg3 s PRO 46 N -0.37 2.80 0.38 0.00 0.02 -1.22 -2.10 135.00 134.52 1hg3 s PRO 46 Ca 0.18 0.56 -0.28 0.00 0.02 0.00 0.00 61.00 61.48 1hg3 s PRO 46 Cb -0.24 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.17 1hg3 s PRO 46 CO -0.02 -1.10 1.43 -0.65 -0.33 0.00 0.00 177.00 176.33 1hg3 s GLN 47 N -5.28 4.09 0.30 5.54 -0.21 -1.26 -4.25 119.66 118.59 1hg3 s GLN 47 Ca 0.58 2.44 0.05 0.00 0.02 0.00 0.00 55.36 58.46 1hg3 s GLN 47 Cb -0.12 -2.93 0.77 0.00 1.00 0.00 0.00 33.01 31.73 1hg3 s GLN 47 CO 0.53 -0.49 1.70 1.25 -2.12 0.00 0.00 175.29 176.15 1hg3 h LEU 48 N 2.96 0.38 -0.39 2.90 5.85 -1.95 0.42 115.31 125.49 1hg3 h LEU 48 Ca -0.50 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1hg3 h LEU 48 Cb 1.24 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1hg3 h LEU 48 CO 0.64 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.29 1hg3 n VAL 49 N -5.03 1.53 0.11 1.05 3.14 -1.26 -1.99 118.33 115.89 1hg3 n VAL 49 Ca 0.23 0.50 0.01 0.00 -2.96 0.00 0.00 64.34 62.12 1hg3 n VAL 49 Cb 0.68 -1.46 -0.00 0.00 -1.06 0.00 0.00 33.84 32.00 1hg3 n VAL 49 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hg3 n ASP 50 N -1.73 0.57 -0.09 6.55 8.00 0.14 -4.83 116.55 125.16 1hg3 n ASP 50 Ca 0.00 -0.79 -0.06 0.00 0.71 0.00 0.00 54.79 54.66 1hg3 n ASP 50 Cb 0.05 0.58 -0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1hg3 n ASP 50 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1hg3 h LEU 51 N 0.21 -0.33 0.15 0.64 6.46 -0.72 -2.04 115.31 119.69 1hg3 h LEU 51 Ca 0.00 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1hg3 h LEU 51 Cb 0.08 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1hg3 h LEU 51 CO 0.00 -0.12 -0.11 -0.09 -0.62 0.00 0.00 178.44 177.50 1hg3 h ARG 52 N -0.02 -0.26 -0.61 1.25 2.43 -1.79 0.13 114.38 115.52 1hg3 h ARG 52 Ca 0.15 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.46 1hg3 h ARG 52 Cb 0.25 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.77 1hg3 h ARG 52 CO -0.34 -0.17 0.13 1.98 -1.51 0.00 0.00 179.97 180.06 1hg3 h MET 53 N -0.27 0.25 -0.36 0.20 4.05 -1.85 0.10 114.93 117.06 1hg3 h MET 53 Ca -0.01 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1hg3 h MET 53 Cb 0.24 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1hg3 h MET 53 CO -0.01 0.17 -0.04 0.82 0.23 0.00 0.00 176.91 178.08 1hg3 h ILE 54 N 0.26 1.27 0.00 1.77 2.04 -1.08 -2.92 117.51 118.86 1hg3 h ILE 54 Ca 0.32 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1hg3 h ILE 54 Cb 0.49 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1hg3 h ILE 54 CO -0.41 0.35 -0.24 0.00 0.00 0.00 0.00 178.15 177.85 1hg3 h ALA 55 N 0.84 1.58 0.00 1.87 0.00 0.02 -2.56 119.26 121.01 1hg3 h ALA 55 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1hg3 h ALA 55 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1hg3 h ALA 55 CO 0.03 0.29 -0.09 0.39 0.00 0.00 0.00 179.25 179.87 1hg3 n GLU 56 N -4.22 0.09 -0.10 0.00 1.02 0.29 -3.93 120.64 113.79 1hg3 n GLU 56 Ca -0.02 0.06 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 1hg3 n GLU 56 Cb 0.29 -1.59 0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1hg3 n GLU 56 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1hg3 n SER 57 N -1.74 1.78 -3.81 1.62 3.41 -0.99 -5.04 113.62 108.85 1hg3 n SER 57 Ca 0.06 -2.49 -0.12 0.00 -0.26 0.00 0.00 58.87 56.06 1hg3 n SER 57 Cb 0.37 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1hg3 n SER 57 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hg3 s VAL 58 N -1.76 0.03 0.03 -3.33 1.01 -1.06 -4.96 120.40 110.37 1hg3 s VAL 58 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1hg3 s VAL 58 Cb 0.14 -0.43 -0.26 0.00 0.00 0.00 0.00 36.38 35.84 1hg3 s VAL 58 CO 0.02 -0.16 0.94 1.05 0.00 0.00 0.00 175.10 176.95 1hg3 h GLU 59 N 4.96 0.18 -7.25 2.72 4.11 -1.90 -3.45 114.58 113.95 1hg3 h GLU 59 Ca -0.28 -0.31 -0.53 0.00 0.07 0.00 0.00 59.36 58.31 1hg3 h GLU 59 Cb 1.19 0.12 0.19 0.00 0.50 0.00 0.00 28.75 30.75 1hg3 h GLU 59 CO 0.38 1.04 0.26 0.44 0.07 0.00 0.00 179.01 181.19 1hg3 n ILE 60 N -3.40 0.69 -1.80 -1.06 -5.35 -1.26 -4.92 119.36 102.26 1hg3 n ILE 60 Ca -0.13 -0.07 -0.42 0.00 -0.27 0.00 0.00 62.75 61.87 1hg3 n ILE 60 Cb 1.02 -1.07 -0.02 0.00 -1.74 0.00 0.00 39.64 37.83 1hg3 n ILE 60 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1hg3 s PRO 61 N -4.46 4.15 -0.23 6.28 0.02 -1.26 -4.93 135.00 134.56 1hg3 s PRO 61 Ca 0.69 2.54 -0.03 0.00 0.02 0.00 0.00 61.00 64.22 1hg3 s PRO 61 Cb -0.25 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.21 1hg3 s PRO 61 CO 0.56 -0.66 -0.05 0.08 -0.33 0.00 0.00 177.00 176.59 1hg3 s VAL 62 N 0.65 3.11 0.02 3.83 1.01 -1.26 -1.81 120.40 125.95 1hg3 s VAL 62 Ca 0.69 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1hg3 s VAL 62 Cb -0.47 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1hg3 s VAL 62 CO 0.39 0.31 0.10 -0.36 0.00 0.00 0.00 175.10 175.54 1hg3 s PHE 63 N 1.40 3.32 0.68 5.22 0.40 0.88 -1.02 117.98 128.86 1hg3 s PHE 63 Ca 0.03 0.20 -0.10 0.00 -0.60 0.00 0.00 56.93 56.47 1hg3 s PHE 63 Cb -0.15 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.66 1hg3 s PHE 63 CO -0.04 0.56 1.05 0.00 0.70 0.00 0.00 175.22 177.49 1hg3 s ALA 64 N -1.27 2.99 -0.70 5.36 0.00 -0.32 -3.40 121.76 124.42 1hg3 s ALA 64 Ca 0.26 -0.44 0.24 0.00 0.00 0.00 0.00 51.96 52.01 1hg3 s ALA 64 Cb -0.12 -2.92 0.26 0.00 0.00 0.00 0.00 23.12 20.34 1hg3 s ALA 64 CO 0.17 -1.08 1.23 1.04 0.00 0.00 0.00 175.76 177.12 1hg3 n GLN 65 N -2.92 0.24 -3.62 0.00 6.02 -1.26 -1.09 117.38 114.74 1hg3 n GLN 65 Ca 0.06 0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 57.05 1hg3 n GLN 65 Cb 0.57 -1.62 -0.04 0.00 1.02 0.00 0.00 30.24 30.17 1hg3 n GLN 65 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1hg3 s HIS 66 N -3.15 -0.11 0.02 1.08 5.04 -1.21 -4.28 115.29 112.68 1hg3 s HIS 66 Ca 0.06 0.18 -0.04 0.00 -1.54 0.00 0.00 55.06 53.72 1hg3 s HIS 66 Cb 0.14 0.49 -0.01 0.00 0.04 0.00 0.00 32.58 33.24 1hg3 s HIS 66 CO 0.75 -0.11 0.07 0.96 -2.34 0.00 0.00 174.74 174.06 1hg3 s ILE 67 N -1.23 0.12 0.20 0.89 -4.36 -1.26 -4.95 121.20 110.60 1hg3 s ILE 67 Ca 0.07 -0.95 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 1hg3 s ILE 67 Cb -0.01 -0.60 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 1hg3 s ILE 67 CO -0.05 -0.52 0.33 -1.81 0.24 0.00 0.00 174.94 173.12 1hg3 s ASP 68 N -1.75 6.33 0.00 4.36 1.01 -0.90 -4.96 116.67 120.76 1hg3 s ASP 68 Ca -0.11 0.15 -0.04 0.00 0.71 0.00 0.00 52.55 53.26 1hg3 s ASP 68 Cb -0.05 -1.90 -0.17 0.00 1.01 0.00 0.00 42.92 41.81 1hg3 s ASP 68 CO -0.02 -0.02 2.87 -2.65 0.21 0.00 0.00 175.17 175.56 1hg3 n PRO 69 N -0.98 1.53 -4.17 8.23 -0.02 -1.26 -4.53 135.00 133.80 1hg3 n PRO 69 Ca -0.08 -0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 60.54 1hg3 n PRO 69 Cb 0.55 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.29 1hg3 n PRO 69 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1hg3 s ILE 70 N 0.92 3.91 0.28 4.25 -4.36 -1.26 -4.91 121.20 120.03 1hg3 s ILE 70 Ca 0.43 -1.62 0.07 0.00 -0.26 0.00 0.00 60.65 59.27 1hg3 s ILE 70 Cb 0.20 -3.14 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 1hg3 s ILE 70 CO 0.00 -0.34 0.19 -0.54 0.24 0.00 0.00 174.94 174.49 1hg3 s LYS 71 N -3.78 2.78 0.27 0.37 -0.14 -1.26 -4.55 119.74 113.43 1hg3 s LYS 71 Ca 0.33 -1.18 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 1hg3 s LYS 71 Cb -0.07 -2.48 -0.13 0.00 -1.68 0.00 0.00 37.83 33.48 1hg3 s LYS 71 CO 0.23 0.31 1.39 -2.30 -0.76 0.00 0.00 175.35 174.22 1hg3 n PRO 72 N -1.19 2.11 0.00 -1.68 -0.02 -1.26 -4.77 135.00 128.19 1hg3 n PRO 72 Ca -0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1hg3 n PRO 72 Cb 0.59 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1hg3 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hg3 n GLY 73 N 1.78 -0.50 3.39 -1.23 0.00 -1.26 -5.05 105.19 102.32 1hg3 n GLY 73 Ca 0.09 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 1hg3 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hg3 s SER 74 N -4.00 6.90 -0.39 1.61 0.01 -1.26 -4.84 113.70 111.74 1hg3 s SER 74 Ca 0.00 -2.75 0.09 0.00 1.31 0.00 0.00 55.95 54.60 1hg3 s SER 74 Cb 0.00 -2.30 0.28 0.00 0.21 0.00 0.00 66.02 64.20 1hg3 s SER 74 CO 0.00 -0.69 0.59 1.41 0.41 0.00 0.00 173.24 174.96 1hg3 n HIS 75 N 4.79 -0.28 -1.63 2.43 -0.00 -1.26 -5.11 115.22 114.16 1hg3 n HIS 75 Ca 0.23 -3.59 -0.50 0.00 -0.00 0.00 0.00 57.72 53.86 1hg3 n HIS 75 Cb 0.45 -0.33 -0.05 0.00 -0.00 0.00 0.00 29.99 30.06 1hg3 n HIS 75 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1hg3 n THR 76 N 1.10 0.04 -0.88 1.59 -1.04 -1.26 -1.45 114.28 112.38 1hg3 n THR 76 Ca 0.22 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1hg3 n THR 76 Cb 0.57 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1hg3 n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hg3 n GLY 77 N 3.03 1.01 3.94 3.41 0.00 -1.26 -5.02 105.19 110.30 1hg3 n GLY 77 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1hg3 n GLY 77 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hg3 s HIS 78 N -3.62 3.49 -0.53 1.61 4.02 -0.53 -5.06 115.29 114.67 1hg3 s HIS 78 Ca 0.00 0.35 -0.21 0.00 1.02 0.00 0.00 55.06 56.23 1hg3 s HIS 78 Cb 0.00 -1.89 0.06 0.00 -1.02 0.00 0.00 32.58 29.73 1hg3 s HIS 78 CO 0.00 0.18 0.73 0.08 1.02 0.00 0.00 174.74 176.75 1hg3 s VAL 79 N -2.21 4.71 -0.14 -0.90 1.01 -1.26 -5.01 120.40 116.59 1hg3 s VAL 79 Ca 0.40 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1hg3 s VAL 79 Cb -0.10 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1hg3 s VAL 79 CO 0.34 -0.93 1.23 -0.22 0.00 0.00 0.00 175.10 175.52 1hg3 s LEU 80 N 3.06 4.20 0.19 3.92 2.96 -1.26 -2.12 118.68 129.62 1hg3 s LEU 80 Ca 0.19 1.70 -0.13 0.00 -0.22 0.00 0.00 54.13 55.67 1hg3 s LEU 80 Cb -0.17 -3.54 0.20 0.00 0.50 0.00 0.00 46.19 43.17 1hg3 s LEU 80 CO 0.14 -0.71 1.69 -0.65 -1.32 0.00 0.00 176.35 175.50 1hg3 h PRO 81 N 7.96 0.14 0.00 0.98 0.11 -1.80 -1.53 132.00 137.86 1hg3 h PRO 81 Ca -0.28 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1hg3 h PRO 81 Cb 1.11 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1hg3 h PRO 81 CO 0.95 0.09 -0.26 1.05 -0.21 0.00 0.00 178.00 179.61 1hg3 h GLU 82 N 0.14 0.00 -0.30 1.05 9.09 -1.92 -0.65 114.58 122.00 1hg3 h GLU 82 Ca 0.25 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.62 1hg3 h GLU 82 Cb 0.38 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.47 1hg3 h GLU 82 CO -0.40 0.26 0.01 0.00 0.05 0.00 0.00 179.01 178.93 1hg3 h ALA 83 N 1.74 0.40 -0.53 1.06 0.00 -1.71 0.20 119.26 120.41 1hg3 h ALA 83 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1hg3 h ALA 83 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1hg3 h ALA 83 CO 0.03 0.14 0.16 0.28 0.00 0.00 0.00 179.25 179.86 1hg3 h VAL 84 N 0.31 1.21 -0.06 0.00 2.07 -0.98 -1.90 116.25 116.91 1hg3 h VAL 84 Ca 0.08 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1hg3 h VAL 84 Cb 0.42 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1hg3 h VAL 84 CO 0.01 0.27 -0.01 0.50 0.02 0.00 0.00 177.57 178.37 1hg3 h LYS 85 N 0.77 0.12 0.00 1.57 1.63 -0.67 -2.78 116.57 117.20 1hg3 h LYS 85 Ca 0.18 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1hg3 h LYS 85 Cb 0.23 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1hg3 h LYS 85 CO -0.01 0.43 -0.10 1.49 -3.45 0.00 0.00 179.45 177.81 1hg3 h GLU 86 N -0.20 0.00 0.00 1.90 4.81 -0.45 -1.62 114.58 119.02 1hg3 h GLU 86 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1hg3 h GLU 86 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1hg3 h GLU 86 CO 0.01 0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.39 1hg3 n ALA 87 N -2.30 1.98 0.00 2.92 0.00 -0.73 -4.89 120.51 117.49 1hg3 n ALA 87 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1hg3 n ALA 87 Cb 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1hg3 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hg3 n GLY 88 N 0.46 0.56 3.76 0.00 0.00 -0.61 -4.13 105.19 105.23 1hg3 n GLY 88 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1hg3 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hg3 s ALA 89 N -2.00 2.55 -0.27 4.61 0.00 -1.13 -4.73 121.76 120.78 1hg3 s ALA 89 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1hg3 s ALA 89 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1hg3 s ALA 89 CO 0.00 -1.10 0.75 1.33 0.00 0.00 0.00 175.76 176.74 1hg3 n VAL 90 N -1.72 0.36 -3.88 0.00 0.24 -0.19 -4.73 118.33 108.40 1hg3 n VAL 90 Ca 0.12 -0.68 -0.02 0.00 -2.04 0.00 0.00 64.34 61.73 1hg3 n VAL 90 Cb 0.51 0.85 0.02 0.00 -1.47 0.00 0.00 33.84 33.75 1hg3 n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hg3 n GLY 91 N -0.01 0.59 3.43 7.63 0.00 -1.24 -1.57 105.19 114.01 1hg3 n GLY 91 Ca 0.02 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 1hg3 n GLY 91 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hg3 s THR 92 N -2.09 0.02 0.32 2.61 -1.32 0.38 -1.17 115.64 114.39 1hg3 s THR 92 Ca 0.22 -0.15 -0.09 0.00 -1.21 0.00 0.00 61.69 60.45 1hg3 s THR 92 Cb -0.02 -0.86 -0.07 0.00 -1.51 0.00 0.00 72.50 70.04 1hg3 s THR 92 CO 0.04 -0.08 0.66 -0.76 -2.21 0.00 0.00 174.62 172.26 1hg3 s LEU 93 N -1.13 4.00 0.01 9.08 1.43 -0.25 -1.37 118.68 130.44 1hg3 s LEU 93 Ca -0.11 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 53.88 1hg3 s LEU 93 Cb -0.02 -3.82 0.01 0.00 0.03 0.00 0.00 46.19 42.39 1hg3 s LEU 93 CO 0.08 -0.25 0.21 -0.76 0.23 0.00 0.00 176.35 175.85 1hg3 s LEU 94 N -3.43 1.28 -1.53 1.79 1.43 -0.50 -3.36 118.68 114.36 1hg3 s LEU 94 Ca 0.49 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1hg3 s LEU 94 Cb -0.11 0.93 0.08 0.00 0.03 0.00 0.00 46.19 47.13 1hg3 s LEU 94 CO 0.27 -0.43 0.97 -3.20 0.23 0.00 0.00 176.35 174.19 1hg3 n ASN 95 N 1.23 -4.66 -4.78 2.29 5.15 -1.26 -0.29 115.26 112.95 1hg3 n ASN 95 Ca -0.22 -0.79 -0.35 0.00 -0.60 0.00 0.00 54.58 52.63 1hg3 n ASN 95 Cb 0.56 -3.86 -0.00 0.00 -0.53 0.00 0.00 39.78 35.95 1hg3 n ASN 95 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1hg3 s HIS 96 N -3.32 2.72 0.39 1.20 5.65 -1.25 -4.10 115.29 116.59 1hg3 s HIS 96 Ca 0.64 1.55 0.21 0.00 0.25 0.00 0.00 55.06 57.71 1hg3 s HIS 96 Cb -0.32 -3.27 1.19 0.00 -1.18 0.00 0.00 32.58 28.99 1hg3 s HIS 96 CO 0.83 -1.48 1.70 1.03 -0.65 0.00 0.00 174.74 176.17 1hg3 h SER 97 N 1.31 0.41 -0.01 9.88 0.87 -1.92 0.51 113.55 124.60 1hg3 h SER 97 Ca -0.50 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1hg3 h SER 97 Cb 1.26 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1hg3 h SER 97 CO 0.57 -0.04 0.00 -0.62 -0.53 0.00 0.00 176.83 176.21 1hg3 n GLU 98 N -4.75 1.29 -2.79 2.24 1.02 -1.26 -4.17 120.64 112.22 1hg3 n GLU 98 Ca 0.30 -0.43 -0.10 0.00 -0.02 0.00 0.00 57.16 56.92 1hg3 n GLU 98 Cb 1.06 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 31.08 1hg3 n GLU 98 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1hg3 n ASN 99 N -0.47 -1.30 -4.76 1.62 5.15 0.17 -5.13 115.26 110.54 1hg3 n ASN 99 Ca 0.21 -3.15 -0.39 0.00 -0.60 0.00 0.00 54.58 50.65 1hg3 n ASN 99 Cb 0.21 1.00 0.02 0.00 -0.53 0.00 0.00 39.78 40.49 1hg3 n ASN 99 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1hg3 s ARG 100 N -0.55 3.51 0.32 1.20 0.52 -0.82 -3.82 118.95 119.31 1hg3 s ARG 100 Ca 0.26 2.30 0.08 0.00 -0.52 0.00 0.00 55.73 57.84 1hg3 s ARG 100 Cb 0.35 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1hg3 s ARG 100 CO -0.06 -0.92 0.16 -1.64 0.02 0.00 0.00 175.30 172.87 1hg3 s MET 101 N -2.62 2.48 -0.07 3.54 -1.94 -1.26 -4.98 119.30 114.45 1hg3 s MET 101 Ca 0.65 -1.44 -0.26 0.00 -1.71 0.00 0.00 55.69 52.92 1hg3 s MET 101 Cb -0.41 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1hg3 s MET 101 CO 0.51 0.16 0.84 0.42 -0.01 0.00 0.00 175.02 176.94 1hg3 s ILE 102 N -2.37 4.94 0.16 2.53 1.01 -1.26 -4.90 121.20 121.31 1hg3 s ILE 102 Ca 0.37 1.73 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 1hg3 s ILE 102 Cb -0.04 -4.17 0.16 0.00 0.01 0.00 0.00 42.46 38.42 1hg3 s ILE 102 CO 0.23 0.16 1.13 -0.11 0.00 0.00 0.00 174.94 176.36 1hg3 n LEU 103 N 4.18 -0.49 -0.26 2.97 7.94 -1.26 0.06 117.00 130.13 1hg3 n LEU 103 Ca 0.03 1.27 -0.02 0.00 -1.11 0.00 0.00 56.01 56.19 1hg3 n LEU 103 Cb 0.51 -0.28 0.10 0.00 0.53 0.00 0.00 43.42 44.28 1hg3 n LEU 103 CO 0.49 -1.14 1.14 0.00 -1.11 0.00 0.00 177.39 176.78 1hg3 h ALA 104 N 0.97 0.99 -0.58 1.96 0.00 -2.01 -1.94 119.26 118.66 1hg3 h ALA 104 Ca 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1hg3 h ALA 104 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1hg3 h ALA 104 CO -0.72 0.19 0.10 -0.44 0.00 0.00 0.00 179.25 178.37 1hg3 h ASP 105 N 0.84 0.87 0.20 0.00 3.32 -0.76 -2.50 116.42 118.40 1hg3 h ASP 105 Ca 0.32 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1hg3 h ASP 105 Cb 0.12 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1hg3 h ASP 105 CO -0.15 0.88 -0.09 0.25 -1.72 0.00 0.00 179.24 178.40 1hg3 h LEU 106 N 0.87 -0.22 -1.01 1.55 6.46 -0.46 0.21 115.31 122.71 1hg3 h LEU 106 Ca 0.18 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1hg3 h LEU 106 Cb 0.38 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1hg3 h LEU 106 CO 0.01 -0.15 -0.27 1.05 -0.62 0.00 0.00 178.44 178.45 1hg3 h GLU 107 N -0.27 0.00 -0.19 1.25 -0.00 -1.46 -0.96 114.58 112.95 1hg3 h GLU 107 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.13 1hg3 h GLU 107 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.96 1hg3 h GLU 107 CO 0.04 0.27 -0.68 0.00 -0.00 0.00 0.00 179.01 178.64 1hg3 h ALA 108 N 1.73 0.44 -0.44 1.06 0.00 -1.17 -2.00 119.26 118.88 1hg3 h ALA 108 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1hg3 h ALA 108 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1hg3 h ALA 108 CO 0.04 0.70 -0.14 0.00 0.00 0.00 0.00 179.25 179.84 1hg3 h ALA 109 N 0.70 0.93 -0.16 0.00 0.00 -0.13 0.31 119.26 120.90 1hg3 h ALA 109 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1hg3 h ALA 109 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1hg3 h ALA 109 CO 0.14 0.62 0.05 0.82 0.00 0.00 0.00 179.25 180.88 1hg3 h ILE 110 N 0.73 1.19 -0.35 0.00 2.04 -1.12 0.84 117.51 120.85 1hg3 h ILE 110 Ca 0.12 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1hg3 h ILE 110 Cb 0.64 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1hg3 h ILE 110 CO 0.04 0.18 0.22 0.03 0.00 0.00 0.00 178.15 178.63 1hg3 h ARG 111 N 0.08 0.44 -0.92 2.37 2.47 -1.08 -1.79 114.38 115.94 1hg3 h ARG 111 Ca 0.05 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 1hg3 h ARG 111 Cb 0.24 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.39 1hg3 h ARG 111 CO -0.00 0.29 0.56 -0.09 0.56 0.00 0.00 179.97 181.29 1hg3 h ARG 112 N 0.45 0.92 -0.09 0.04 9.65 -0.17 -1.04 114.38 124.14 1hg3 h ARG 112 Ca 0.13 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.87 1hg3 h ARG 112 Cb -0.03 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 1hg3 h ARG 112 CO -0.04 0.61 -0.35 0.00 2.80 0.00 0.00 179.97 182.99 1hg3 h ALA 113 N 1.47 1.24 -0.16 2.80 0.00 -0.17 -2.69 119.26 121.76 1hg3 h ALA 113 Ca 0.43 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1hg3 h ALA 113 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1hg3 h ALA 113 CO -0.23 0.52 -0.20 0.93 0.00 0.00 0.00 179.25 180.27 1hg3 h GLU 114 N 0.16 0.41 -0.95 0.00 5.08 -0.41 0.69 114.58 119.57 1hg3 h GLU 114 Ca 0.02 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1hg3 h GLU 114 Cb 0.70 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1hg3 h GLU 114 CO 0.05 0.81 0.61 0.93 -1.00 0.00 0.00 179.01 180.42 1hg3 h GLU 115 N 0.04 0.99 0.00 2.33 5.08 -1.20 -0.98 114.58 120.83 1hg3 h GLU 115 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hg3 h GLU 115 Cb 0.76 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1hg3 h GLU 115 CO 0.05 0.65 -0.36 0.28 -1.00 0.00 0.00 179.01 178.63 1hg3 n VAL 116 N -4.53 0.00 -1.98 3.13 0.31 -1.02 -4.97 118.33 109.26 1hg3 n VAL 116 Ca 0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1hg3 n VAL 116 Cb 0.26 0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1hg3 n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hg3 n GLY 117 N 1.50 0.74 3.51 2.92 0.00 -0.03 -4.99 105.19 108.85 1hg3 n GLY 117 Ca 0.06 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1hg3 n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hg3 s LEU 118 N -0.42 3.21 0.66 0.99 1.43 0.22 -4.82 118.68 119.95 1hg3 s LEU 118 Ca 0.00 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 1hg3 s LEU 118 Cb 0.00 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1hg3 s LEU 118 CO 0.00 0.22 1.14 -0.04 0.23 0.00 0.00 176.35 177.89 1hg3 s MET 119 N 0.08 2.71 -0.09 1.70 -1.94 -0.61 -4.26 119.30 116.90 1hg3 s MET 119 Ca -0.01 1.52 0.05 0.00 -1.71 0.00 0.00 55.69 55.53 1hg3 s MET 119 Cb -0.14 -1.93 -0.00 0.00 2.01 0.00 0.00 34.83 34.77 1hg3 s MET 119 CO 0.03 -1.34 -0.24 0.95 -0.01 0.00 0.00 175.02 174.41 1hg3 s THR 120 N -2.16 2.07 -0.39 2.05 -4.23 -1.26 -0.47 115.64 111.25 1hg3 s THR 120 Ca 0.70 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1hg3 s THR 120 Cb -0.23 -1.77 0.11 0.00 1.34 0.00 0.00 72.50 71.95 1hg3 s THR 120 CO 0.40 0.56 0.15 -0.32 -0.54 0.00 0.00 174.62 174.87 1hg3 s MET 121 N 0.20 1.30 -0.14 3.99 0.00 -0.47 -0.84 119.30 123.35 1hg3 s MET 121 Ca -0.15 -1.81 -0.18 0.00 0.00 0.00 0.00 55.69 53.55 1hg3 s MET 121 Cb -0.17 -2.65 -0.04 0.00 0.00 0.00 0.00 34.83 31.97 1hg3 s MET 121 CO 0.08 -1.04 0.48 0.08 0.00 0.00 0.00 175.02 174.62 1hg3 s VAL 122 N 0.75 5.17 0.32 10.11 1.01 0.11 -1.41 120.40 136.47 1hg3 s VAL 122 Ca 0.13 0.95 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 1hg3 s VAL 122 Cb -0.21 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1hg3 s VAL 122 CO -0.09 0.30 0.74 0.00 0.00 0.00 0.00 175.10 176.05 1hg3 s SER 124 N -2.21 1.12 -0.00 0.00 1.04 0.31 -4.72 113.70 109.23 1hg3 s SER 124 Ca 0.53 -0.82 0.16 0.00 0.48 0.00 0.00 55.95 56.31 1hg3 s SER 124 Cb -0.11 0.06 -0.18 0.00 0.10 0.00 0.00 66.02 65.89 1hg3 s SER 124 CO 0.18 -0.34 0.66 -0.46 0.98 0.00 0.00 173.24 174.26 1hg3 n ASN 125 N 0.57 0.80 -3.74 7.02 6.94 -1.26 -1.35 115.26 124.23 1hg3 n ASN 125 Ca -0.16 -0.81 -0.05 0.00 -0.02 0.00 0.00 54.58 53.53 1hg3 n ASN 125 Cb 0.58 1.06 -0.01 0.00 -2.36 0.00 0.00 39.78 39.05 1hg3 n ASN 125 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1hg3 s ASN 126 N -2.64 -0.20 0.15 0.53 6.03 -1.26 -4.42 114.94 113.13 1hg3 s ASN 126 Ca 0.05 -0.55 -0.21 0.00 -1.03 0.00 0.00 52.86 51.12 1hg3 s ASN 126 Cb 0.12 0.62 0.04 0.00 -3.03 0.00 0.00 41.25 39.00 1hg3 s ASN 126 CO 0.67 -1.16 1.64 -0.65 -2.03 0.00 0.00 177.10 175.57 1hg3 h PRO 127 N 2.00 -0.17 -0.28 3.55 0.11 -1.94 0.66 132.00 135.93 1hg3 h PRO 127 Ca -0.22 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.95 1hg3 h PRO 127 Cb 1.24 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1hg3 h PRO 127 CO 0.26 -0.11 -0.06 0.00 -0.21 0.00 0.00 178.00 177.87 1hg3 h ALA 128 N 0.97 0.19 -0.60 -0.75 0.00 -1.97 0.89 119.26 117.98 1hg3 h ALA 128 Ca 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1hg3 h ALA 128 Cb 0.40 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1hg3 h ALA 128 CO -0.38 -0.46 0.24 0.28 0.00 0.00 0.00 179.25 178.93 1hg3 h VAL 129 N 0.01 1.21 -0.86 0.00 2.07 -1.90 -1.59 116.25 115.19 1hg3 h VAL 129 Ca 0.13 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1hg3 h VAL 129 Cb 0.20 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1hg3 h VAL 129 CO -0.28 0.26 0.57 0.28 0.02 0.00 0.00 177.57 178.42 1hg3 h SER 130 N 0.86 0.96 -0.32 0.57 0.02 0.83 0.11 113.55 116.57 1hg3 h SER 130 Ca 0.20 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1hg3 h SER 130 Cb 0.17 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1hg3 h SER 130 CO -0.02 0.68 -0.06 0.00 -1.14 0.00 0.00 176.83 176.29 1hg3 h ALA 131 N 1.48 0.45 -0.54 3.77 0.00 -0.02 -1.53 119.26 122.87 1hg3 h ALA 131 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1hg3 h ALA 131 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1hg3 h ALA 131 CO -0.08 0.26 0.34 0.00 0.00 0.00 0.00 179.25 179.77 1hg3 h ALA 132 N 0.81 0.68 -0.81 0.00 0.00 -0.61 -2.04 119.26 117.29 1hg3 h ALA 132 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hg3 h ALA 132 Cb 0.55 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1hg3 h ALA 132 CO 0.03 0.15 0.47 0.28 0.00 0.00 0.00 179.25 180.18 1hg3 h VAL 133 N 0.72 1.23 -0.94 0.00 2.07 -0.70 -2.58 116.25 116.06 1hg3 h VAL 133 Ca 0.19 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1hg3 h VAL 133 Cb -0.04 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.79 1hg3 h VAL 133 CO -0.04 0.25 0.62 0.00 0.02 0.00 0.00 177.57 178.42 1hg3 h ALA 134 N 1.25 1.38 0.00 1.67 0.00 -0.67 -0.97 119.26 121.93 1hg3 h ALA 134 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1hg3 h ALA 134 Cb -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1hg3 h ALA 134 CO -0.05 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1hg3 n ALA 135 N -2.39 1.43 1.39 0.00 0.00 -0.83 -0.49 120.51 119.62 1hg3 n ALA 135 Ca 0.12 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.80 1hg3 n ALA 135 Cb 0.08 -1.33 0.51 0.00 0.00 0.00 0.00 19.45 18.72 1hg3 n ALA 135 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hg3 n LEU 136 N -2.13 0.88 -3.47 0.00 4.77 -0.37 -4.98 117.00 111.70 1hg3 n LEU 136 Ca 0.01 -0.21 -0.19 0.00 -0.03 0.00 0.00 56.01 55.60 1hg3 n LEU 136 Cb 0.15 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1hg3 n LEU 136 CO 0.15 0.16 0.03 -3.20 -1.33 0.00 0.00 177.39 173.20 1hg3 n ASN 137 N -0.60 -3.25 -4.43 -1.43 5.15 0.35 -4.96 115.26 106.09 1hg3 n ASN 137 Ca 0.15 -0.72 -0.28 0.00 -0.60 0.00 0.00 54.58 53.13 1hg3 n ASN 137 Cb 0.31 -4.75 0.14 0.00 -0.53 0.00 0.00 39.78 34.95 1hg3 n ASN 137 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1hg3 s PRO 138 N -5.31 1.21 -0.05 1.20 0.02 -1.26 -5.00 135.00 125.80 1hg3 s PRO 138 Ca 0.15 -0.55 -0.24 0.00 0.02 0.00 0.00 61.00 60.38 1hg3 s PRO 138 Cb -0.03 -2.03 -0.24 0.00 0.02 0.00 0.00 34.50 32.23 1hg3 s PRO 138 CO 0.76 -1.95 1.02 -0.44 -0.33 0.00 0.00 177.00 176.06 1hg3 h ASP 139 N -1.17 0.23 -4.68 2.53 3.32 -1.87 -3.42 116.42 111.36 1hg3 h ASP 139 Ca -0.42 -0.79 -0.31 0.00 0.02 0.00 0.00 57.03 55.53 1hg3 h ASP 139 Cb 1.26 -0.07 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 1hg3 h ASP 139 CO 0.43 0.98 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.88 1hg3 s TYR 140 N -3.08 0.81 -0.10 4.55 1.51 -0.02 -2.09 117.35 118.93 1hg3 s TYR 140 Ca -0.16 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.43 1hg3 s TYR 140 Cb 0.01 -0.48 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1hg3 s TYR 140 CO 0.74 -0.05 -0.19 0.54 -1.11 0.00 0.00 175.55 175.48 1hg3 s VAL 141 N -1.43 1.74 -0.31 0.71 0.11 -0.07 0.10 120.40 121.24 1hg3 s VAL 141 Ca -0.07 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1hg3 s VAL 141 Cb -0.09 -1.54 0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1hg3 s VAL 141 CO 0.01 0.49 0.04 0.00 -3.33 0.00 0.00 175.10 172.31 1hg3 s ALA 142 N 0.66 2.92 -0.16 1.54 0.00 0.17 -1.30 121.76 125.60 1hg3 s ALA 142 Ca -0.13 -1.71 -0.28 0.00 0.00 0.00 0.00 51.96 49.84 1hg3 s ALA 142 Cb -0.16 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 1hg3 s ALA 142 CO 0.03 -1.24 0.98 0.08 0.00 0.00 0.00 175.76 175.61 1hg3 s VAL 143 N 1.34 4.77 -0.23 0.00 1.01 -0.60 -0.53 120.40 126.17 1hg3 s VAL 143 Ca -0.03 1.95 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 1hg3 s VAL 143 Cb -0.19 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.01 1hg3 s VAL 143 CO 0.01 -0.05 0.21 -1.61 0.00 0.00 0.00 175.10 173.66 1hg3 s GLU 144 N 2.40 0.20 0.04 2.72 2.02 -0.46 -0.45 118.70 125.18 1hg3 s GLU 144 Ca 0.45 0.00 -0.30 0.00 0.02 0.00 0.00 54.97 55.14 1hg3 s GLU 144 Cb -0.17 -1.17 -0.09 0.00 0.10 0.00 0.00 34.13 32.80 1hg3 s GLU 144 CO 0.13 -0.78 1.87 -2.14 0.02 0.00 0.00 175.26 174.36 1hg3 s PRO 145 N 2.28 4.15 0.41 0.39 0.02 -1.26 -4.49 135.00 136.51 1hg3 s PRO 145 Ca 0.07 2.52 0.09 0.00 0.02 0.00 0.00 61.00 63.70 1hg3 s PRO 145 Cb -0.15 -3.97 0.90 0.00 0.02 0.00 0.00 34.50 31.30 1hg3 s PRO 145 CO -0.19 -0.90 2.03 -1.35 -0.33 0.00 0.00 177.00 176.26 1hg3 h PRO 146 N 9.84 0.51 0.00 5.54 0.11 -1.93 -2.11 132.00 143.96 1hg3 h PRO 146 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hg3 h PRO 146 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hg3 h PRO 146 CO 0.94 0.34 0.00 0.39 -0.21 0.00 0.00 178.00 179.46 1hg3 n GLU 147 N -4.47 0.00 -0.00 1.05 4.71 -1.26 -2.24 120.64 118.42 1hg3 n GLU 147 Ca 0.06 0.33 0.04 0.00 -0.01 0.00 0.00 57.16 57.57 1hg3 n GLU 147 Cb 0.16 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.04 1hg3 n GLU 147 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1hg3 n LEU 148 N -1.49 0.21 -0.31 -4.62 4.77 -0.81 -4.74 117.00 110.01 1hg3 n LEU 148 Ca 0.02 -0.28 0.26 0.00 -0.03 0.00 0.00 56.01 55.99 1hg3 n LEU 148 Cb 0.11 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.61 1hg3 n LEU 148 CO 0.09 0.05 0.86 -0.38 -1.33 0.00 0.00 177.39 176.69 1hg3 n ILE 149 N -1.46 0.00 -1.08 -0.08 2.08 -0.95 -2.06 119.36 115.81 1hg3 n ILE 149 Ca 0.00 0.86 0.00 0.00 0.56 0.00 0.00 62.75 64.17 1hg3 n ILE 149 Cb 0.17 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 1hg3 n ILE 149 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hg3 n GLY 150 N -1.48 1.00 0.09 7.39 0.00 -1.26 -4.57 105.19 106.37 1hg3 n GLY 150 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1hg3 n GLY 150 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hg3 n THR 151 N 0.00 1.24 -1.00 2.61 -2.24 -0.87 -4.83 114.28 109.20 1hg3 n THR 151 Ca 0.00 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1hg3 n THR 151 Cb 0.20 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1hg3 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hg3 n GLY 152 N -0.94 0.54 3.51 3.38 0.00 -1.26 -5.00 105.19 105.42 1hg3 n GLY 152 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1hg3 n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hg3 s ILE 153 N -2.21 5.12 0.26 -0.61 1.01 -1.26 -4.83 121.20 118.67 1hg3 s ILE 153 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1hg3 s ILE 153 Cb 0.00 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 1hg3 s ILE 153 CO 0.00 -0.30 1.26 -2.65 0.00 0.00 0.00 174.94 173.25 1hg3 n PRO 154 N 5.51 1.76 0.17 2.79 -0.02 -1.17 -3.93 135.00 140.12 1hg3 n PRO 154 Ca -0.08 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 1hg3 n PRO 154 Cb 0.48 -2.17 0.21 0.00 -0.02 0.00 0.00 33.50 32.00 1hg3 n PRO 154 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1hg3 h VAL 155 N 2.65 0.82 0.00 -1.45 -1.51 -1.57 -2.11 116.25 113.08 1hg3 h VAL 155 Ca -0.44 -1.79 -0.09 0.00 -1.23 0.00 0.00 66.70 63.15 1hg3 h VAL 155 Cb 1.30 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 32.59 1hg3 h VAL 155 CO 0.69 0.40 -0.44 0.77 -1.23 0.00 0.00 177.57 177.76 1hg3 h SER 156 N 0.00 0.00 0.00 4.19 4.64 -1.89 -3.28 113.55 117.21 1hg3 h SER 156 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hg3 h SER 156 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1hg3 h SER 156 CO 0.05 0.44 -0.01 0.11 -0.87 0.00 0.00 176.83 176.56 1hg3 h LYS 157 N 0.00 0.00 -5.61 4.77 1.57 -1.90 -3.41 116.57 111.99 1hg3 h LYS 157 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.12 1hg3 h LYS 157 Cb 0.94 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.17 1hg3 h LYS 157 CO 0.06 0.00 -0.46 0.00 -0.57 0.00 0.00 179.45 178.48 1hg3 s ALA 158 N -2.65 3.84 -0.84 3.86 0.00 -0.81 -4.47 121.76 120.69 1hg3 s ALA 158 Ca -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1hg3 s ALA 158 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1hg3 s ALA 158 CO 0.00 0.53 0.73 1.63 0.00 0.00 0.00 175.76 178.66 1hg3 n LYS 159 N 2.23 -4.92 0.29 0.00 5.02 -1.26 -4.29 118.16 115.22 1hg3 n LYS 159 Ca -0.19 0.52 0.15 0.00 -2.02 0.00 0.00 58.31 56.77 1hg3 n LYS 159 Cb 0.54 -4.63 0.86 0.00 -0.02 0.00 0.00 35.03 31.78 1hg3 n LYS 159 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1hg3 h PRO 160 N -1.64 0.00 -0.44 1.97 0.11 -1.78 -1.63 132.00 128.59 1hg3 h PRO 160 Ca -0.36 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.79 1hg3 h PRO 160 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1hg3 h PRO 160 CO 0.35 0.05 0.30 0.93 -0.21 0.00 0.00 178.00 179.41 1hg3 h GLU 161 N 0.00 0.45 0.00 1.05 3.07 -1.91 -0.27 114.58 116.97 1hg3 h GLU 161 Ca -0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1hg3 h GLU 161 Cb 0.15 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1hg3 h GLU 161 CO 0.01 0.30 -0.05 0.28 -1.40 0.00 0.00 179.01 178.14 1hg3 h VAL 162 N 0.46 0.87 0.04 3.13 2.07 -1.67 0.25 116.25 121.41 1hg3 h VAL 162 Ca 0.18 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 1hg3 h VAL 162 Cb 0.15 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1hg3 h VAL 162 CO -0.04 0.05 -0.81 0.40 0.02 0.00 0.00 177.57 177.18 1hg3 h ILE 163 N 0.00 1.31 -0.33 4.57 2.04 -1.21 -3.15 117.51 120.74 1hg3 h ILE 163 Ca -0.00 -2.33 -0.02 0.00 1.00 0.00 0.00 64.86 63.51 1hg3 h ILE 163 Cb 0.11 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1hg3 h ILE 163 CO 0.01 0.55 0.13 0.74 0.00 0.00 0.00 178.15 179.58 1hg3 h THR 164 N -0.76 1.18 -0.19 -0.27 2.02 -1.03 -0.36 112.91 113.50 1hg3 h THR 164 Ca -0.20 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1hg3 h THR 164 Cb 1.35 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1hg3 h THR 164 CO -0.03 0.20 -0.15 0.78 0.37 0.00 0.00 175.52 176.69 1hg3 h ASN 165 N 0.39 0.30 0.19 4.18 2.35 -0.69 -1.80 115.58 120.50 1hg3 h ASN 165 Ca 0.11 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1hg3 h ASN 165 Cb 0.18 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1hg3 h ASN 165 CO -0.01 0.47 -0.09 0.74 -1.65 0.00 0.00 177.43 176.89 1hg3 h THR 166 N 0.29 0.91 -0.83 2.81 2.02 -1.44 0.79 112.91 117.45 1hg3 h THR 166 Ca 0.06 -0.86 0.15 0.00 0.77 0.00 0.00 66.41 66.52 1hg3 h THR 166 Cb 0.44 1.39 -0.10 0.00 -1.74 0.00 0.00 68.15 68.14 1hg3 h THR 166 CO 0.03 0.18 0.40 0.58 0.37 0.00 0.00 175.52 177.08 1hg3 h VAL 167 N -0.71 0.68 0.52 3.16 2.07 -0.90 0.39 116.25 121.47 1hg3 h VAL 167 Ca -0.03 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1hg3 h VAL 167 Cb 0.49 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1hg3 h VAL 167 CO 0.04 0.10 -0.25 -0.33 0.02 0.00 0.00 177.57 177.15 1hg3 h GLU 168 N 0.55 -0.67 -0.51 1.57 5.08 -1.29 -1.43 114.58 117.88 1hg3 h GLU 168 Ca 0.46 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.93 1hg3 h GLU 168 Cb 0.69 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 1hg3 h GLU 168 CO -0.39 -0.39 0.20 -0.07 -1.00 0.00 0.00 179.01 177.37 1hg3 h LEU 169 N -1.10 0.24 0.03 1.33 3.38 -0.46 -0.45 115.31 118.28 1hg3 h LEU 169 Ca -0.07 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1hg3 h LEU 169 Cb 0.60 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1hg3 h LEU 169 CO 0.12 0.17 -0.01 0.58 0.09 0.00 0.00 178.44 179.38 1hg3 h VAL 170 N 0.40 0.99 -0.89 1.22 2.07 -0.30 -0.04 116.25 119.70 1hg3 h VAL 170 Ca 0.24 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1hg3 h VAL 170 Cb 0.23 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1hg3 h VAL 170 CO -0.22 0.01 0.57 0.50 0.02 0.00 0.00 177.57 178.45 1hg3 h LYS 171 N -0.06 0.84 -0.15 1.57 3.64 -0.80 0.21 116.57 121.82 1hg3 h LYS 171 Ca -0.00 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 1hg3 h LYS 171 Cb 0.05 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1hg3 h LYS 171 CO 0.01 0.56 -0.66 -0.22 -2.27 0.00 0.00 179.45 176.87 1hg3 h LYS 172 N 0.87 0.58 0.07 1.90 3.64 -0.62 -3.15 116.57 119.86 1hg3 h LYS 172 Ca 0.41 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1hg3 h LYS 172 Cb 0.43 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1hg3 h LYS 172 CO -0.18 1.05 -0.39 0.28 -2.27 0.00 0.00 179.45 177.93 1hg3 h VAL 173 N 0.42 1.65 -1.84 2.00 2.07 -0.19 -3.45 116.25 116.92 1hg3 h VAL 173 Ca -0.02 -2.41 -0.26 0.00 0.82 0.00 0.00 66.70 64.83 1hg3 h VAL 173 Cb 1.23 3.27 -0.30 0.00 -1.52 0.00 0.00 31.29 33.97 1hg3 h VAL 173 CO 0.12 0.66 -0.59 0.21 0.02 0.00 0.00 177.57 177.99 1hg3 s ASN 174 N -6.58 0.81 0.63 0.57 3.84 0.66 -4.88 114.94 109.99 1hg3 s ASN 174 Ca -0.16 -0.80 0.32 0.00 0.21 0.00 0.00 52.86 52.43 1hg3 s ASN 174 Cb -0.01 0.86 1.77 0.00 -0.55 0.00 0.00 41.25 43.33 1hg3 s ASN 174 CO 0.76 -0.33 2.07 -0.65 -2.79 0.00 0.00 177.10 176.16 1hg3 h PRO 175 N 7.86 0.00 0.00 0.43 0.11 -1.69 -2.37 132.00 136.34 1hg3 h PRO 175 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1hg3 h PRO 175 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1hg3 h PRO 175 CO 0.26 0.00 -0.32 0.93 -0.21 0.00 0.00 178.00 178.66 1hg3 h GLU 176 N 0.00 0.00 -6.68 1.05 5.08 -1.91 -3.45 114.58 108.67 1hg3 h GLU 176 Ca 0.06 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.91 1hg3 h GLU 176 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1hg3 h GLU 176 CO -0.00 0.15 0.43 0.08 -1.00 0.00 0.00 179.01 178.67 1hg3 s VAL 177 N -3.15 3.98 0.05 3.13 1.01 -0.89 -4.98 120.40 119.56 1hg3 s VAL 177 Ca 0.05 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.82 1hg3 s VAL 177 Cb 0.06 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1hg3 s VAL 177 CO 0.71 0.34 0.10 -0.54 0.00 0.00 0.00 175.10 175.70 1hg3 s LYS 178 N -0.58 3.01 -0.10 2.72 -0.14 -0.89 -4.84 119.74 118.91 1hg3 s LYS 178 Ca 0.47 -0.60 -0.01 0.00 -1.36 0.00 0.00 55.97 54.47 1hg3 s LYS 178 Cb -0.28 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 33.03 1hg3 s LYS 178 CO 0.34 0.59 -0.04 0.08 -0.76 0.00 0.00 175.35 175.56 1hg3 s VAL 179 N -1.35 3.88 0.22 3.17 1.01 -1.26 -0.89 120.40 125.17 1hg3 s VAL 179 Ca 0.28 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1hg3 s VAL 179 Cb -0.12 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1hg3 s VAL 179 CO 0.21 0.56 -0.08 -0.76 0.00 0.00 0.00 175.10 175.02 1hg3 s LEU 180 N -0.37 2.45 0.10 3.92 1.43 -0.42 -0.23 118.68 125.56 1hg3 s LEU 180 Ca 0.06 -1.11 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1hg3 s LEU 180 Cb -0.12 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1hg3 s LEU 180 CO 0.02 -0.32 -0.12 0.00 0.23 0.00 0.00 176.35 176.16 1hg3 s GLY 182 N -2.37 1.64 0.00 0.00 0.00 0.40 -1.79 107.32 105.20 1hg3 s GLY 182 Ca 0.06 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1hg3 s GLY 182 CO 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 173.10 171.87 1hg3 n ALA 183 N -0.46 -0.69 -0.28 3.20 0.00 -1.24 -4.27 120.51 116.76 1hg3 n ALA 183 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1hg3 n ALA 183 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1hg3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hg3 n GLY 184 N 2.05 1.92 3.65 0.00 0.00 -1.25 -1.91 105.19 109.64 1hg3 n GLY 184 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1hg3 n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hg3 s ILE 185 N -3.10 3.74 0.00 -0.61 -1.09 -1.26 -3.05 121.20 115.84 1hg3 s ILE 185 Ca 0.00 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1hg3 s ILE 185 Cb 0.00 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1hg3 s ILE 185 CO 0.00 -0.18 0.00 -1.54 -1.23 0.00 0.00 174.94 171.99 1hg3 n SER 186 N 7.70 0.00 -4.81 3.58 3.41 -1.26 -4.59 113.62 117.65 1hg3 n SER 186 Ca 0.17 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.48 1hg3 n SER 186 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1hg3 n SER 186 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hg3 s THR 187 N -0.09 4.73 0.44 6.66 2.01 -1.26 -4.63 115.64 123.50 1hg3 s THR 187 Ca 0.00 -0.71 0.25 0.00 0.31 0.00 0.00 61.69 61.54 1hg3 s THR 187 Cb 0.00 -3.30 0.28 0.00 0.01 0.00 0.00 72.50 69.49 1hg3 s THR 187 CO 0.00 0.10 2.07 1.23 -0.69 0.00 0.00 174.62 177.34 1hg3 h GLY 188 N 3.14 0.00 1.11 4.40 0.00 -1.78 -1.60 103.07 108.34 1hg3 h GLY 188 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1hg3 h GLY 188 CO 0.68 0.00 -0.04 -2.09 0.00 0.00 0.00 176.54 175.09 1hg3 h GLU 189 N 0.00 1.06 -0.75 4.80 4.57 -1.89 -0.68 114.58 121.68 1hg3 h GLU 189 Ca -0.00 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1hg3 h GLU 189 Cb 0.30 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1hg3 h GLU 189 CO 0.02 1.05 0.32 -0.44 -1.18 0.00 0.00 179.01 178.77 1hg3 h ASP 190 N 0.96 1.01 -0.32 1.04 3.32 -1.71 0.27 116.42 120.99 1hg3 h ASP 190 Ca 0.16 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1hg3 h ASP 190 Cb 0.60 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1hg3 h ASP 190 CO 0.04 0.89 -0.05 0.58 -1.72 0.00 0.00 179.24 178.98 1hg3 h VAL 191 N 1.08 1.24 -0.21 -1.35 2.07 -1.13 0.57 116.25 118.52 1hg3 h VAL 191 Ca 0.25 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1hg3 h VAL 191 Cb 0.18 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1hg3 h VAL 191 CO -0.02 0.35 -0.07 0.50 0.02 0.00 0.00 177.57 178.35 1hg3 h LYS 192 N 0.66 0.41 0.38 1.57 3.64 0.13 -2.58 116.57 120.78 1hg3 h LYS 192 Ca 0.13 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1hg3 h LYS 192 Cb 0.48 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1hg3 h LYS 192 CO 0.02 0.68 -0.18 0.87 -2.27 0.00 0.00 179.45 178.57 1hg3 h LYS 193 N 0.13 -0.49 -0.68 1.90 1.57 -0.21 -1.53 116.57 117.27 1hg3 h LYS 193 Ca 0.05 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.99 1hg3 h LYS 193 Cb 0.54 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.83 1hg3 h LYS 193 CO 0.02 -0.29 -0.30 0.00 -0.57 0.00 0.00 179.45 178.31 1hg3 h ALA 194 N 0.06 0.13 -0.73 3.86 0.00 -0.91 -0.03 119.26 121.63 1hg3 h ALA 194 Ca -0.05 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1hg3 h ALA 194 Cb 0.42 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1hg3 h ALA 194 CO 0.08 -0.60 0.21 0.82 0.00 0.00 0.00 179.25 179.77 1hg3 h ILE 195 N -0.10 1.26 -1.00 0.00 2.04 -1.35 -2.62 117.51 115.74 1hg3 h ILE 195 Ca 0.28 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1hg3 h ILE 195 Cb 0.55 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1hg3 h ILE 195 CO -0.74 0.36 0.66 -0.33 0.00 0.00 0.00 178.15 178.10 1hg3 h GLU 196 N 1.10 1.32 0.00 2.37 5.08 -0.01 -1.34 114.58 123.10 1hg3 h GLU 196 Ca 0.24 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1hg3 h GLU 196 Cb 0.33 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1hg3 h GLU 196 CO -0.00 0.88 0.00 1.28 -1.00 0.00 0.00 179.01 180.16 1hg3 n LEU 197 N -4.38 0.00 0.00 1.33 4.77 -0.21 -4.79 117.00 113.73 1hg3 n LEU 197 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1hg3 n LEU 197 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1hg3 n LEU 197 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1hg3 n GLY 198 N -0.15 0.73 3.86 -0.72 0.00 -0.51 -4.61 105.19 103.80 1hg3 n GLY 198 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1hg3 n GLY 198 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hg3 s THR 199 N -2.00 4.19 -1.67 2.61 2.01 -1.02 -4.86 115.64 114.90 1hg3 s THR 199 Ca 0.00 0.71 0.15 0.00 0.31 0.00 0.00 61.69 62.86 1hg3 s THR 199 Cb 0.00 -3.66 0.22 0.00 0.01 0.00 0.00 72.50 69.07 1hg3 s THR 199 CO 0.00 -0.93 1.10 0.52 -0.69 0.00 0.00 174.62 174.62 1hg3 n VAL 200 N -2.91 0.33 -3.98 3.82 0.31 0.68 -4.46 118.33 112.11 1hg3 n VAL 200 Ca 0.06 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1hg3 n VAL 200 Cb 0.55 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 1hg3 n VAL 200 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hg3 n GLY 201 N 0.85 -1.19 3.02 2.92 0.00 -1.26 -1.15 105.19 108.39 1hg3 n GLY 201 Ca 0.11 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1hg3 n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hg3 s VAL 202 N -3.00 0.33 -0.19 1.61 1.01 0.24 -3.05 120.40 117.35 1hg3 s VAL 202 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1hg3 s VAL 202 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1hg3 s VAL 202 CO 0.00 -0.42 -0.13 -0.22 0.00 0.00 0.00 175.10 174.33 1hg3 s LEU 203 N -1.48 2.50 0.23 3.92 2.96 -0.74 -0.26 118.68 125.81 1hg3 s LEU 203 Ca -0.12 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 1hg3 s LEU 203 Cb -0.10 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1hg3 s LEU 203 CO -0.00 0.01 0.29 -1.48 -1.32 0.00 0.00 176.35 173.84 1hg3 s LEU 204 N 1.28 0.84 0.00 -0.68 0.05 -0.53 -3.69 118.68 115.96 1hg3 s LEU 204 Ca 0.03 -1.23 0.00 0.00 0.05 0.00 0.00 54.13 52.98 1hg3 s LEU 204 Cb -0.14 0.98 0.00 0.00 -2.05 0.00 0.00 46.19 44.98 1hg3 s LEU 204 CO -0.07 -0.99 0.00 0.00 -0.55 0.00 0.00 176.35 174.74 1hg3 n ALA 205 N -0.34 1.68 -0.31 1.48 0.00 -1.26 0.09 120.51 121.85 1hg3 n ALA 205 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.66 1hg3 n ALA 205 Cb 0.64 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.58 1hg3 n ALA 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hg3 h SER 206 N 0.00 0.47 -1.00 0.00 4.64 -1.91 -0.20 113.55 115.55 1hg3 h SER 206 Ca 0.00 0.08 0.25 0.00 -0.47 0.00 0.00 61.79 61.65 1hg3 h SER 206 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1hg3 h SER 206 CO 0.00 0.11 0.66 1.23 -0.87 0.00 0.00 176.83 177.96 1hg3 h GLY 207 N 0.43 0.93 0.00 -0.77 0.00 -1.93 0.12 103.07 101.84 1hg3 h GLY 207 Ca 0.58 -0.17 -0.46 0.00 0.00 0.00 0.00 47.33 47.27 1hg3 h GLY 207 CO -0.29 -0.07 -2.53 -0.62 0.00 0.00 0.00 176.54 173.03 1hg3 n VAL 208 N -4.53 1.53 -0.25 4.60 0.31 -0.68 -4.07 118.33 115.24 1hg3 n VAL 208 Ca 0.23 -0.39 0.19 0.00 -0.01 0.00 0.00 64.34 64.36 1hg3 n VAL 208 Cb 0.85 -1.87 0.51 0.00 -0.91 0.00 0.00 33.84 32.42 1hg3 n VAL 208 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hg3 h THR 209 N -0.97 0.68 -0.02 2.52 1.03 -0.85 -1.61 112.91 113.68 1hg3 h THR 209 Ca -0.70 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 1hg3 h THR 209 Cb 1.62 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 1hg3 h THR 209 CO -0.42 0.08 -0.37 0.29 -0.01 0.00 0.00 175.52 175.09 1hg3 n LYS 210 N -4.52 1.46 -1.99 0.00 4.76 0.39 -4.72 118.16 113.53 1hg3 n LYS 210 Ca 0.19 -1.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.19 1hg3 n LYS 210 Cb 0.69 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 1hg3 n LYS 210 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hg3 s ALA 211 N -2.19 3.72 0.33 7.82 0.00 -0.61 -4.88 121.76 125.95 1hg3 s ALA 211 Ca 0.17 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.50 1hg3 s ALA 211 Cb 0.16 -3.60 0.71 0.00 0.00 0.00 0.00 23.12 20.40 1hg3 s ALA 211 CO 0.48 -0.74 1.88 0.87 0.00 0.00 0.00 175.76 178.25 1hg3 h LYS 212 N 6.57 0.79 -3.03 0.00 1.57 -1.93 -3.25 116.57 117.28 1hg3 h LYS 212 Ca -0.43 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 57.69 1hg3 h LYS 212 Cb 1.21 -0.18 -0.41 0.00 0.08 0.00 0.00 32.23 32.93 1hg3 h LYS 212 CO 0.89 0.52 -0.69 0.34 -0.57 0.00 0.00 179.45 179.94 1hg3 s ASP 213 N -5.84 3.89 0.26 0.86 2.15 -1.26 -5.01 116.67 111.72 1hg3 s ASP 213 Ca -0.11 -3.14 -0.05 0.00 0.43 0.00 0.00 52.55 49.69 1hg3 s ASP 213 Cb 0.21 -1.28 0.52 0.00 -0.30 0.00 0.00 42.92 42.07 1hg3 s ASP 213 CO 0.79 -0.19 1.63 -0.65 -0.17 0.00 0.00 175.17 176.58 1hg3 h PRO 214 N 6.14 0.10 -0.01 4.34 0.11 -1.80 -1.71 132.00 139.16 1hg3 h PRO 214 Ca 0.05 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1hg3 h PRO 214 Cb 0.86 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1hg3 h PRO 214 CO 0.59 0.07 -0.15 1.49 -0.21 0.00 0.00 178.00 179.78 1hg3 h GLU 215 N 0.10 -0.24 -0.86 1.05 4.81 -1.93 0.10 114.58 117.62 1hg3 h GLU 215 Ca 0.46 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.79 1hg3 h GLU 215 Cb 0.85 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 1hg3 h GLU 215 CO -0.71 -0.16 0.52 -0.22 -0.73 0.00 0.00 179.01 177.71 1hg3 h LYS 216 N -0.24 0.88 -0.59 1.92 3.64 -1.75 0.17 116.57 120.60 1hg3 h LYS 216 Ca 0.05 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1hg3 h LYS 216 Cb 0.31 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1hg3 h LYS 216 CO -0.15 0.58 0.20 0.00 -2.27 0.00 0.00 179.45 177.80 1hg3 h ALA 217 N 1.44 0.77 -0.50 5.00 0.00 -0.66 -0.21 119.26 125.09 1hg3 h ALA 217 Ca 0.40 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1hg3 h ALA 217 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1hg3 h ALA 217 CO -0.21 0.42 0.04 0.82 0.00 0.00 0.00 179.25 180.32 1hg3 h ILE 218 N 0.83 1.26 -0.87 0.00 2.04 0.20 -2.22 117.51 118.74 1hg3 h ILE 218 Ca 0.19 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1hg3 h ILE 218 Cb 0.26 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1hg3 h ILE 218 CO -0.01 0.36 0.45 -0.50 0.00 0.00 0.00 178.15 178.44 1hg3 h TRP 219 N 0.73 1.23 0.01 1.37 4.06 -0.39 -0.55 115.95 122.40 1hg3 h TRP 219 Ca 0.15 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 61.06 1hg3 h TRP 219 Cb 0.46 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1hg3 h TRP 219 CO 0.03 0.87 -0.04 0.22 -3.56 0.00 0.00 178.44 175.96 1hg3 h ASP 220 N 1.23 -0.13 -0.43 -3.49 1.82 -0.81 0.20 116.42 114.81 1hg3 h ASP 220 Ca 0.30 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 57.01 1hg3 h ASP 220 Cb 0.08 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 1hg3 h ASP 220 CO -0.04 -0.07 0.17 -0.07 -1.61 0.00 0.00 179.24 177.62 1hg3 h LEU 221 N -0.08 0.20 -1.43 2.28 3.38 -0.96 -1.85 115.31 116.85 1hg3 h LEU 221 Ca 0.02 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1hg3 h LEU 221 Cb 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1hg3 h LEU 221 CO -0.04 0.15 -0.29 0.58 0.09 0.00 0.00 178.44 178.93 1hg3 h VAL 222 N 0.35 1.11 0.00 1.22 2.07 -0.72 -1.98 116.25 118.29 1hg3 h VAL 222 Ca 0.20 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1hg3 h VAL 222 Cb 0.16 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1hg3 h VAL 222 CO -0.18 0.28 0.00 0.77 0.02 0.00 0.00 177.57 178.46 1hg3 h SER 223 N 0.00 0.00 -0.16 0.57 4.64 0.26 0.16 113.55 119.02 1hg3 h SER 223 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hg3 h SER 223 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1hg3 h SER 223 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1hg3 n GLY 224 N -0.87 1.22 0.00 -0.77 0.00 -0.75 -4.98 105.19 99.05 1hg3 n GLY 224 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1hg3 n GLY 224 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71