#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 0.78 0.21 0.00 1.02 -1.26 -4.94 119.74 115.55 1hg3 s LYS 3 Ca 0.00 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.26 1hg3 s LYS 3 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1hg3 s LYS 3 CO 0.00 -0.24 0.37 -0.51 -0.92 0.00 0.00 175.35 174.05 1hg3 s LEU 4 N -2.41 4.26 -0.50 3.17 1.43 -1.26 -5.01 118.68 118.35 1hg3 s LEU 4 Ca -0.01 0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 1hg3 s LEU 4 Cb 0.01 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1hg3 s LEU 4 CO -0.07 -0.05 1.89 -0.75 0.23 0.00 0.00 176.35 177.60 1hg3 s LYS 5 N -3.55 2.82 0.00 1.70 2.20 -1.26 -4.89 119.74 116.76 1hg3 s LYS 5 Ca 0.36 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1hg3 s LYS 5 Cb -0.10 -4.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 1hg3 s LYS 5 CO 0.30 -2.48 0.00 0.39 -0.36 0.00 0.00 175.35 173.19 1hg3 n GLU 6 N 8.90 0.00 -1.54 4.03 -0.58 -1.26 -4.30 120.64 125.89 1hg3 n GLU 6 Ca 0.23 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.55 1hg3 n GLU 6 Cb 0.51 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.33 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 -0.14 1.25 -4.85 3.49 -0.02 -1.24 -4.48 135.00 129.01 1hg3 n PRO 7 Ca 0.00 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 1hg3 n PRO 7 Cb 0.00 -3.02 -0.13 0.00 -0.02 0.00 0.00 33.50 30.32 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 9.76 3.09 -0.29 4.25 1.01 -0.33 -3.55 121.20 135.14 1hg3 s ILE 8 Ca 1.05 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.02 1hg3 s ILE 8 Cb -0.45 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 39.87 1hg3 s ILE 8 CO 0.36 0.58 -0.01 -0.63 0.00 0.00 0.00 174.94 175.23 1hg3 s ILE 9 N -0.49 1.83 -0.29 2.92 -1.09 -0.75 0.86 121.20 124.20 1hg3 s ILE 9 Ca 0.06 -1.72 -0.06 0.00 -2.23 0.00 0.00 60.65 56.70 1hg3 s ILE 9 Cb -0.12 -2.19 0.01 0.00 -1.58 0.00 0.00 42.46 38.58 1hg3 s ILE 9 CO 0.02 -0.34 0.06 0.00 -1.23 0.00 0.00 174.94 173.45 1hg3 s ALA 10 N 1.19 3.04 -0.33 9.38 0.00 0.53 0.41 121.76 135.98 1hg3 s ALA 10 Ca 0.01 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 1hg3 s ALA 10 Cb -0.19 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1hg3 s ALA 10 CO -0.09 -0.87 0.37 0.42 0.00 0.00 0.00 175.76 175.59 1hg3 s ILE 11 N 1.49 5.16 -0.52 0.00 1.01 0.18 -1.64 121.20 126.89 1hg3 s ILE 11 Ca 0.03 0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1hg3 s ILE 11 Cb -0.17 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1hg3 s ILE 11 CO 0.02 -0.05 0.71 0.21 0.00 0.00 0.00 174.94 175.82 1hg3 s ASN 12 N 1.72 6.25 0.40 3.58 2.47 0.15 -1.17 114.94 128.34 1hg3 s ASN 12 Ca 0.13 -0.81 0.28 0.00 0.42 0.00 0.00 52.86 52.88 1hg3 s ASN 12 Cb -0.16 -2.33 1.37 0.00 -1.45 0.00 0.00 41.25 38.69 1hg3 s ASN 12 CO 0.11 -0.99 1.85 -0.26 -3.72 0.00 0.00 177.10 174.10 1hg3 h PHE 13 N 9.08 0.00 0.00 0.43 -1.00 -1.73 -3.39 116.94 120.34 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 0.79 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 179.12 1hg3 n LYS 14 N -2.52 0.00 -0.67 1.51 5.02 -1.26 -2.81 118.16 117.43 1hg3 n LYS 14 Ca -0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1hg3 n LYS 14 Cb 0.14 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.21 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 0.65 -2.08 -0.18 5.66 -1.26 -4.46 114.28 112.61 1hg3 n THR 15 Ca 0.00 -1.10 -0.41 0.00 -3.05 0.00 0.00 64.05 59.49 1hg3 n THR 15 Cb 0.00 0.39 -0.02 0.00 -1.55 0.00 0.00 70.33 69.15 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 -0.98 3.02 0.47 1.09 2.02 -1.12 -4.92 117.35 116.93 1hg3 s TYR 16 Ca 0.20 1.33 0.18 0.00 -0.37 0.00 0.00 57.07 58.41 1hg3 s TYR 16 Cb 0.20 -3.72 1.18 0.00 -0.40 0.00 0.00 41.96 39.22 1hg3 s TYR 16 CO -0.04 -2.06 2.06 0.97 -1.57 0.00 0.00 175.55 174.90 1hg3 h ILE 17 N 3.13 0.98 0.00 2.71 6.09 -1.96 -0.02 117.51 128.43 1hg3 h ILE 17 Ca -0.48 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 62.56 1hg3 h ILE 17 Cb 1.23 1.25 0.00 0.00 0.47 0.00 0.00 36.82 39.76 1hg3 h ILE 17 CO 0.68 0.12 0.00 -0.33 -3.07 0.00 0.00 178.15 175.55 1hg3 h GLU 18 N 0.00 0.00 -1.10 2.19 3.07 -1.91 -3.02 114.58 113.80 1hg3 h GLU 18 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 1hg3 h GLU 18 Cb 0.24 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.72 1hg3 h GLU 18 CO 0.02 0.00 -0.79 0.00 -1.40 0.00 0.00 179.01 176.84 1hg3 n ALA 19 N -2.04 4.99 -2.37 3.43 0.00 -0.04 -4.06 120.51 120.41 1hg3 n ALA 19 Ca 0.01 -4.02 -0.30 0.00 0.00 0.00 0.00 53.44 49.14 1hg3 n ALA 19 Cb 0.32 -0.44 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 -5.00 2.26 0.00 0.00 2.01 -1.10 -4.47 115.64 109.33 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 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1hg3 s THR 20 CO -0.07 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1hg3 n GLY 21 N 1.46 1.81 0.35 4.40 0.00 -1.26 -0.92 105.19 111.03 1hg3 n GLY 21 Ca -0.17 0.22 0.03 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 0.99 0.00 1.61 1.57 -1.97 0.21 116.57 118.98 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 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1hg3 h LYS 22 CO 0.00 0.65 -0.38 0.00 -0.57 0.00 0.00 179.45 179.16 1hg3 h ARG 23 N 1.02 0.00 -0.31 3.15 3.08 -1.52 -0.26 114.38 119.54 1hg3 h ARG 23 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.38 1hg3 h ARG 23 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1hg3 h ARG 23 CO -0.21 0.38 -0.19 0.00 -1.07 0.00 0.00 179.97 178.88 1hg3 h ALA 24 N 1.62 0.44 -0.72 0.04 0.00 0.12 -2.44 119.26 118.32 1hg3 h ALA 24 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1hg3 h ALA 24 Cb 0.71 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1hg3 h ALA 24 CO 0.05 0.38 0.45 1.25 0.00 0.00 0.00 179.25 181.38 1hg3 h LEU 25 N 0.44 0.84 -0.19 0.00 5.85 0.06 -1.64 115.31 120.67 1hg3 h LEU 25 Ca 0.06 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1hg3 h LEU 25 Cb 0.73 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1hg3 h LEU 25 CO 0.05 0.63 0.10 -0.33 -0.34 0.00 0.00 178.44 178.55 1hg3 h GLU 26 N 0.98 0.20 -0.41 1.25 5.08 -0.70 -1.21 114.58 119.77 1hg3 h GLU 26 Ca 0.26 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1hg3 h GLU 26 Cb -0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1hg3 h GLU 26 CO -0.05 0.13 -0.11 0.82 -1.00 0.00 0.00 179.01 178.80 1hg3 h ILE 27 N 0.21 1.25 -0.60 3.13 2.04 -0.98 -1.41 117.51 121.16 1hg3 h ILE 27 Ca 0.08 -1.15 -0.07 0.00 1.00 0.00 0.00 64.86 64.72 1hg3 h ILE 27 Cb 0.01 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1hg3 h ILE 27 CO -0.05 0.39 0.10 0.00 0.00 0.00 0.00 178.15 178.59 1hg3 h ALA 28 N 1.21 1.05 -0.17 1.87 0.00 -1.02 0.14 119.26 122.35 1hg3 h ALA 28 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1hg3 h ALA 28 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1hg3 h ALA 28 CO 0.04 0.61 -0.48 0.87 0.00 0.00 0.00 179.25 180.28 1hg3 h LYS 29 N 0.91 0.45 -0.43 0.00 1.57 -0.95 0.66 116.57 118.77 1hg3 h LYS 29 Ca 0.19 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1hg3 h LYS 29 Cb 0.39 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1hg3 h LYS 29 CO 0.01 0.83 0.13 0.00 -0.57 0.00 0.00 179.45 179.85 1hg3 h ALA 30 N 1.12 0.56 -0.43 3.86 0.00 -0.69 0.24 119.26 123.93 1hg3 h ALA 30 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hg3 h ALA 30 Cb 0.98 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1hg3 h ALA 30 CO 0.09 0.21 0.23 0.00 0.00 0.00 0.00 179.25 179.78 1hg3 h ALA 31 N 0.98 0.55 -0.74 0.00 0.00 -0.38 -1.99 119.26 117.68 1hg3 h ALA 31 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1hg3 h ALA 31 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1hg3 h ALA 31 CO -0.00 0.07 0.37 1.49 0.00 0.00 0.00 179.25 181.17 1hg3 h GLU 32 N 0.55 1.05 0.63 0.00 4.81 -0.62 -1.70 114.58 119.30 1hg3 h GLU 32 Ca 0.15 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1hg3 h GLU 32 Cb 0.06 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.25 1hg3 h GLU 32 CO -0.02 0.80 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.53 1hg3 h LYS 33 N 1.04 -0.82 -0.60 1.92 3.64 -0.50 0.00 116.57 121.27 1hg3 h LYS 33 Ca 0.26 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.84 1hg3 h LYS 33 Cb 0.09 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1hg3 h LYS 33 CO -0.04 -0.54 0.42 0.28 -2.27 0.00 0.00 179.45 177.30 1hg3 h VAL 34 N -0.87 0.77 -0.11 2.00 2.07 -1.20 -1.19 116.25 117.72 1hg3 h VAL 34 Ca -0.09 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1hg3 h VAL 34 Cb 0.66 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1hg3 h VAL 34 CO 0.14 0.03 -0.08 0.22 0.02 0.00 0.00 177.57 177.90 1hg3 h TYR 35 N 0.15 0.30 -0.58 1.57 3.20 -0.54 -2.84 116.97 118.22 1hg3 h TYR 35 Ca 0.29 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1hg3 h TYR 35 Cb 0.93 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1hg3 h TYR 35 CO -0.00 0.64 0.39 0.87 -1.64 0.00 0.00 178.16 178.41 1hg3 h LYS 36 N -0.12 0.70 -0.84 1.82 1.57 0.18 0.10 116.57 119.99 1hg3 h LYS 36 Ca 0.02 -0.04 -0.45 0.00 -1.87 0.00 0.00 60.65 58.31 1hg3 h LYS 36 Cb 0.57 -0.16 -0.26 0.00 0.08 0.00 0.00 32.23 32.46 1hg3 h LYS 36 CO 0.02 0.46 0.47 -0.85 -0.57 0.00 0.00 179.45 178.98 1hg3 n GLU 37 N -4.46 2.19 0.00 3.15 0.28 -0.85 -4.55 120.64 116.39 1hg3 n GLU 37 Ca 0.06 -3.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.98 1hg3 n GLU 37 Cb 0.10 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 30.88 1hg3 n GLU 37 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1hg3 n THR 38 N -1.13 0.00 0.00 3.84 -1.04 -0.97 -5.01 114.28 109.97 1hg3 n THR 38 Ca 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1hg3 n THR 38 Cb 1.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.96 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 -0.42 1.89 3.73 3.41 0.00 0.32 -5.02 105.19 109.10 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 -2.57 3.80 0.07 1.61 1.01 -1.26 -4.97 120.40 118.10 1hg3 s VAL 40 Ca 0.00 1.47 -0.31 0.00 0.00 0.00 0.00 61.98 63.15 1hg3 s VAL 40 Cb 0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1hg3 s VAL 40 CO 0.00 0.22 1.77 -0.89 0.00 0.00 0.00 175.10 176.20 1hg3 s THR 41 N 0.12 2.90 -0.29 3.92 2.01 -1.23 -4.65 115.64 118.42 1hg3 s THR 41 Ca 0.53 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.80 1hg3 s THR 41 Cb -0.31 -3.17 0.08 0.00 0.01 0.00 0.00 72.50 69.12 1hg3 s THR 41 CO 0.34 -0.01 0.01 -0.63 -0.69 0.00 0.00 174.62 173.65 1hg3 s ILE 42 N 3.13 1.65 0.01 1.82 -1.09 -1.26 -1.80 121.20 123.65 1hg3 s ILE 42 Ca 0.79 -1.64 -0.17 0.00 -2.23 0.00 0.00 60.65 57.40 1hg3 s ILE 42 Cb -0.42 -2.08 -0.06 0.00 -1.58 0.00 0.00 42.46 38.33 1hg3 s ILE 42 CO 0.35 -0.39 0.47 -0.69 -1.23 0.00 0.00 174.94 173.45 1hg3 s VAL 43 N 1.27 4.95 -0.07 2.92 1.01 0.16 -4.21 120.40 126.44 1hg3 s VAL 43 Ca 0.03 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.05 1hg3 s VAL 43 Cb -0.19 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1hg3 s VAL 43 CO -0.11 0.53 -0.23 -0.69 0.00 0.00 0.00 175.10 174.60 1hg3 s VAL 44 N -0.83 2.19 -0.53 2.92 1.01 -0.75 0.52 120.40 124.93 1hg3 s VAL 44 Ca 0.26 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1hg3 s VAL 44 Cb -0.17 -1.81 0.13 0.00 0.00 0.00 0.00 36.38 34.52 1hg3 s VAL 44 CO 0.15 0.57 0.27 0.00 0.00 0.00 0.00 175.10 176.09 1hg3 s ALA 45 N -0.06 3.25 0.76 5.51 0.00 -0.31 0.06 121.76 130.97 1hg3 s ALA 45 Ca -0.06 -3.26 -0.12 0.00 0.00 0.00 0.00 51.96 48.52 1hg3 s ALA 45 Cb -0.15 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 20.89 1hg3 s ALA 45 CO 0.05 -2.03 1.11 -2.14 0.00 0.00 0.00 175.76 172.75 1hg3 s PRO 46 N -0.32 2.38 0.33 0.00 0.02 -1.22 -2.14 135.00 134.05 1hg3 s PRO 46 Ca 0.18 0.46 -0.29 0.00 0.02 0.00 0.00 61.00 61.37 1hg3 s PRO 46 Cb -0.24 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1hg3 s PRO 46 CO -0.01 -1.37 1.38 -0.65 -0.33 0.00 0.00 177.00 176.01 1hg3 s GLN 47 N -5.32 4.27 0.31 5.54 -0.21 -1.26 -4.24 119.66 118.75 1hg3 s GLN 47 Ca 0.60 2.33 0.07 0.00 0.02 0.00 0.00 55.36 58.38 1hg3 s GLN 47 Cb -0.12 -3.05 0.83 0.00 1.00 0.00 0.00 33.01 31.67 1hg3 s GLN 47 CO 0.52 -0.32 1.68 1.25 -2.12 0.00 0.00 175.29 176.30 1hg3 h LEU 48 N 3.51 0.34 -0.44 2.90 5.85 -1.94 0.46 115.31 125.99 1hg3 h LEU 48 Ca -0.49 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1hg3 h LEU 48 Cb 1.23 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1hg3 h LEU 48 CO 0.67 -0.05 0.00 0.55 -0.34 0.00 0.00 178.44 179.27 1hg3 n VAL 49 N -5.07 1.51 0.13 1.05 3.14 -1.26 -1.96 118.33 115.87 1hg3 n VAL 49 Ca 0.25 0.51 0.01 0.00 -2.96 0.00 0.00 64.34 62.15 1hg3 n VAL 49 Cb 0.75 -1.47 -0.01 0.00 -1.06 0.00 0.00 33.84 32.05 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 -1.76 0.53 -0.07 6.55 8.00 0.16 -4.83 116.55 125.13 1hg3 n ASP 50 Ca 0.00 -0.76 -0.07 0.00 0.71 0.00 0.00 54.79 54.67 1hg3 n ASP 50 Cb 0.05 0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 41.79 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 -0.52 0.09 0.64 6.46 -0.70 -2.08 115.31 119.42 1hg3 h LEU 51 Ca 0.00 0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1hg3 h LEU 51 Cb 0.08 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1hg3 h LEU 51 CO 0.00 -0.20 -0.17 -0.09 -0.62 0.00 0.00 178.44 177.37 1hg3 h ARG 52 N -0.13 -0.31 -0.55 1.25 2.43 -1.79 0.17 114.38 115.45 1hg3 h ARG 52 Ca 0.15 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.44 1hg3 h ARG 52 Cb 0.35 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 1hg3 h ARG 52 CO -0.36 -0.21 0.06 1.98 -1.51 0.00 0.00 179.97 179.94 1hg3 h MET 53 N -0.33 0.18 -0.39 0.20 4.05 -1.85 0.96 114.93 117.75 1hg3 h MET 53 Ca 0.02 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1hg3 h MET 53 Cb 0.35 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1hg3 h MET 53 CO -0.09 0.12 0.08 0.82 0.23 0.00 0.00 176.91 178.07 1hg3 h ILE 54 N 0.19 1.23 -0.05 1.77 2.04 -0.97 -2.80 117.51 118.91 1hg3 h ILE 54 Ca 0.28 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1hg3 h ILE 54 Cb 0.42 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1hg3 h ILE 54 CO -0.41 0.28 -0.17 0.00 0.00 0.00 0.00 178.15 177.85 1hg3 h ALA 55 N 0.93 1.62 0.00 1.87 0.00 0.06 -2.62 119.26 121.14 1hg3 h ALA 55 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hg3 h ALA 55 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hg3 h ALA 55 CO 0.00 0.28 -0.03 0.39 0.00 0.00 0.00 179.25 179.89 1hg3 n GLU 56 N -4.30 0.13 -0.13 0.00 1.02 0.26 -3.90 120.64 113.72 1hg3 n GLU 56 Ca -0.02 0.10 0.07 0.00 -0.02 0.00 0.00 57.16 57.29 1hg3 n GLU 56 Cb 0.26 -1.65 0.09 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.88 1.84 -3.76 1.62 3.41 -1.01 -5.03 113.62 108.81 1hg3 n SER 57 Ca 0.06 -2.69 -0.13 0.00 -0.26 0.00 0.00 58.87 55.85 1hg3 n SER 57 Cb 0.39 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.06 0.02 0.08 -3.33 1.01 -1.08 -4.95 120.40 110.09 1hg3 s VAL 58 Ca 0.21 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1hg3 s VAL 58 Cb 0.19 -0.50 -0.23 0.00 0.00 0.00 0.00 36.38 35.83 1hg3 s VAL 58 CO 0.02 -0.08 1.13 -0.33 0.00 0.00 0.00 175.10 175.84 1hg3 h GLU 59 N 5.09 0.07 -7.25 2.72 5.08 -1.90 -3.45 114.58 114.94 1hg3 h GLU 59 Ca -0.27 -0.12 -0.52 0.00 -1.00 0.00 0.00 59.36 57.44 1hg3 h GLU 59 Cb 1.18 0.05 0.17 0.00 0.50 0.00 0.00 28.75 30.65 1hg3 h GLU 59 CO 0.33 0.98 0.29 0.96 -1.00 0.00 0.00 179.01 180.58 1hg3 s ILE 60 N -2.68 2.33 0.23 3.13 -4.36 -1.26 -4.93 121.20 113.67 1hg3 s ILE 60 Ca -0.02 0.12 -0.31 0.00 -0.26 0.00 0.00 60.65 60.19 1hg3 s ILE 60 Cb 0.09 -2.39 -0.12 0.00 1.25 0.00 0.00 42.46 41.29 1hg3 s ILE 60 CO 0.84 -0.13 1.66 -2.84 0.24 0.00 0.00 174.94 174.71 1hg3 s PRO 61 N -4.46 4.13 -0.24 0.37 0.02 -1.26 -4.92 135.00 128.63 1hg3 s PRO 61 Ca 0.68 2.57 -0.02 0.00 0.02 0.00 0.00 61.00 64.25 1hg3 s PRO 61 Cb -0.24 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.24 1hg3 s PRO 61 CO 0.54 -0.69 -0.06 0.08 -0.33 0.00 0.00 177.00 176.54 1hg3 s VAL 62 N 0.76 2.96 0.02 3.83 1.01 -1.26 -1.81 120.40 125.92 1hg3 s VAL 62 Ca 0.70 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1hg3 s VAL 62 Cb -0.48 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1hg3 s VAL 62 CO 0.37 0.24 0.14 -0.36 0.00 0.00 0.00 175.10 175.49 1hg3 s PHE 63 N 1.35 3.41 0.65 5.22 0.40 0.11 -0.94 117.98 128.19 1hg3 s PHE 63 Ca 0.01 0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.49 1hg3 s PHE 63 Cb -0.16 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.62 1hg3 s PHE 63 CO -0.04 0.59 1.02 0.00 0.70 0.00 0.00 175.22 177.48 1hg3 s ALA 64 N -1.34 3.06 -0.84 5.36 0.00 -0.30 -3.38 121.76 124.32 1hg3 s ALA 64 Ca 0.28 -0.45 0.24 0.00 0.00 0.00 0.00 51.96 52.03 1hg3 s ALA 64 Cb -0.12 -2.88 0.32 0.00 0.00 0.00 0.00 23.12 20.44 1hg3 s ALA 64 CO 0.20 -0.97 1.28 1.04 0.00 0.00 0.00 175.76 177.31 1hg3 n GLN 65 N -2.83 0.13 -3.65 0.00 6.02 -1.26 -1.01 117.38 114.79 1hg3 n GLN 65 Ca 0.06 0.02 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 1hg3 n GLN 65 Cb 0.57 -1.56 -0.04 0.00 1.02 0.00 0.00 30.24 30.23 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 -3.08 -0.02 0.02 1.08 5.04 -1.21 -4.33 115.29 112.80 1hg3 s HIS 66 Ca 0.08 0.02 -0.04 0.00 -1.54 0.00 0.00 55.06 53.59 1hg3 s HIS 66 Cb 0.16 0.50 -0.01 0.00 0.04 0.00 0.00 32.58 33.26 1hg3 s HIS 66 CO 0.74 -0.02 0.06 0.96 -2.34 0.00 0.00 174.74 174.14 1hg3 s ILE 67 N -1.19 0.11 0.19 0.89 -4.36 -1.26 -4.94 121.20 110.64 1hg3 s ILE 67 Ca 0.10 -0.94 0.03 0.00 -0.26 0.00 0.00 60.65 59.58 1hg3 s ILE 67 Cb -0.01 -0.55 -0.03 0.00 1.25 0.00 0.00 42.46 43.11 1hg3 s ILE 67 CO -0.07 -0.52 0.33 -1.81 0.24 0.00 0.00 174.94 173.10 1hg3 s ASP 68 N -1.69 6.34 0.00 4.36 1.01 -0.89 -4.96 116.67 120.83 1hg3 s ASP 68 Ca -0.11 0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.30 1hg3 s ASP 68 Cb -0.06 -1.91 -0.12 0.00 1.01 0.00 0.00 42.92 41.84 1hg3 s ASP 68 CO -0.02 -0.00 2.49 -2.65 0.21 0.00 0.00 175.17 175.20 1hg3 n PRO 69 N -0.84 1.31 -4.06 8.23 -0.02 -1.26 -4.53 135.00 133.84 1hg3 n PRO 69 Ca -0.07 -0.45 -0.22 0.00 -2.02 0.00 0.00 63.50 60.74 1hg3 n PRO 69 Cb 0.55 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.79 4.08 0.27 4.25 -4.36 -1.26 -4.90 121.20 120.08 1hg3 s ILE 70 Ca 0.30 -1.46 0.08 0.00 -0.26 0.00 0.00 60.65 59.31 1hg3 s ILE 70 Cb 0.14 -3.28 -0.04 0.00 1.25 0.00 0.00 42.46 40.53 1hg3 s ILE 70 CO 0.00 -0.31 0.13 -0.54 0.24 0.00 0.00 174.94 174.47 1hg3 s LYS 71 N -3.86 2.64 0.27 0.37 -0.14 -1.26 -4.54 119.74 113.21 1hg3 s LYS 71 Ca 0.35 -1.25 -0.30 0.00 -1.36 0.00 0.00 55.97 53.41 1hg3 s LYS 71 Cb -0.07 -2.38 -0.13 0.00 -1.68 0.00 0.00 37.83 33.57 1hg3 s LYS 71 CO 0.25 0.33 1.34 -2.30 -0.76 0.00 0.00 175.35 174.21 1hg3 n PRO 72 N -1.10 1.98 0.00 -1.68 -0.02 -1.26 -4.77 135.00 128.16 1hg3 n PRO 72 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1hg3 n PRO 72 Cb 0.59 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.69 -0.38 3.40 -1.23 0.00 -1.26 -5.05 105.19 102.36 1hg3 n GLY 73 Ca 0.10 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 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 6.88 -0.39 1.61 0.01 -1.26 -4.84 113.70 111.71 1hg3 s SER 74 Ca 0.00 -2.68 0.09 0.00 1.31 0.00 0.00 55.95 54.67 1hg3 s SER 74 Cb 0.00 -2.32 0.27 0.00 0.21 0.00 0.00 66.02 64.19 1hg3 s SER 74 CO 0.00 -0.73 0.59 1.41 0.41 0.00 0.00 173.24 174.92 1hg3 n HIS 75 N 5.00 -0.37 -1.63 2.43 -0.00 -1.26 -5.11 115.22 114.27 1hg3 n HIS 75 Ca 0.24 -3.54 -0.49 0.00 -0.00 0.00 0.00 57.72 53.93 1hg3 n HIS 75 Cb 0.46 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.99 30.12 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 1.14 0.01 -0.73 1.59 -1.04 -1.26 -1.38 114.28 112.61 1hg3 n THR 76 Ca 0.21 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1hg3 n THR 76 Cb 0.57 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 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 3.02 1.35 3.93 3.41 0.00 -1.26 -5.02 105.19 110.61 1hg3 n GLY 77 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.52 3.50 -0.54 1.61 4.02 -0.48 -5.05 115.29 114.83 1hg3 s HIS 78 Ca 0.00 0.47 -0.21 0.00 1.02 0.00 0.00 55.06 56.34 1hg3 s HIS 78 Cb 0.00 -1.98 0.05 0.00 -1.02 0.00 0.00 32.58 29.63 1hg3 s HIS 78 CO 0.00 0.13 0.79 0.08 1.02 0.00 0.00 174.74 176.75 1hg3 s VAL 79 N -2.24 4.63 -0.13 -0.90 1.01 -1.26 -5.01 120.40 116.49 1hg3 s VAL 79 Ca 0.42 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1hg3 s VAL 79 Cb -0.10 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 1hg3 s VAL 79 CO 0.34 -1.00 1.18 -0.22 0.00 0.00 0.00 175.10 175.40 1hg3 s LEU 80 N 3.29 4.21 0.16 3.92 2.96 -1.26 -2.09 118.68 129.87 1hg3 s LEU 80 Ca 0.22 1.67 -0.19 0.00 -0.22 0.00 0.00 54.13 55.61 1hg3 s LEU 80 Cb -0.17 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1hg3 s LEU 80 CO 0.14 -0.65 1.65 -0.65 -1.32 0.00 0.00 176.35 175.53 1hg3 h PRO 81 N 7.70 -0.09 0.00 0.98 0.11 -1.80 -1.62 132.00 137.28 1hg3 h PRO 81 Ca -0.28 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1hg3 h PRO 81 Cb 1.12 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1hg3 h PRO 81 CO 0.93 -0.06 -0.17 1.05 -0.21 0.00 0.00 178.00 179.53 1hg3 h GLU 82 N -0.09 0.00 -0.35 1.05 9.09 -1.93 -0.48 114.58 121.88 1hg3 h GLU 82 Ca 0.17 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.52 1hg3 h GLU 82 Cb 0.35 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.44 1hg3 h GLU 82 CO -0.40 0.17 -0.04 0.00 0.05 0.00 0.00 179.01 178.79 1hg3 h ALA 83 N 1.83 0.48 -0.35 1.06 0.00 -1.73 0.14 119.26 120.68 1hg3 h ALA 83 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1hg3 h ALA 83 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1hg3 h ALA 83 CO 0.02 0.29 -0.04 0.28 0.00 0.00 0.00 179.25 179.79 1hg3 h VAL 84 N 0.45 1.22 -0.00 0.00 2.07 -0.81 -1.85 116.25 117.32 1hg3 h VAL 84 Ca 0.09 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1hg3 h VAL 84 Cb 0.53 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1hg3 h VAL 84 CO 0.03 0.31 -0.00 0.50 0.02 0.00 0.00 177.57 178.43 1hg3 h LYS 85 N 0.54 0.00 0.00 1.57 1.63 -0.69 -2.86 116.57 116.76 1hg3 h LYS 85 Ca 0.11 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1hg3 h LYS 85 Cb 0.42 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1hg3 h LYS 85 CO 0.02 0.41 -0.07 1.49 -3.45 0.00 0.00 179.45 177.85 1hg3 h GLU 86 N -0.40 0.00 0.00 1.90 4.81 -0.53 -0.94 114.58 119.41 1hg3 h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hg3 h GLU 86 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1hg3 h GLU 86 CO 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 1hg3 n ALA 87 N -2.37 1.95 0.00 2.92 0.00 -0.71 -4.89 120.51 117.40 1hg3 n ALA 87 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1hg3 n ALA 87 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.38 0.54 3.75 0.00 0.00 -0.36 -4.16 105.19 105.35 1hg3 n GLY 88 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.41 4.61 0.00 -1.14 -4.74 121.76 120.63 1hg3 s ALA 89 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1hg3 s ALA 89 Cb 0.00 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.72 1hg3 s ALA 89 CO 0.00 -1.16 0.74 1.33 0.00 0.00 0.00 175.76 176.68 1hg3 n VAL 90 N -1.58 0.27 -3.86 0.00 0.24 -0.11 -4.72 118.33 108.56 1hg3 n VAL 90 Ca 0.14 -0.64 -0.02 0.00 -2.04 0.00 0.00 64.34 61.77 1hg3 n VAL 90 Cb 0.50 0.92 0.02 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.10 0.64 3.40 7.63 0.00 -1.25 -1.50 105.19 114.22 1hg3 n GLY 91 Ca 0.03 -1.12 -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 -2.10 0.02 0.30 2.61 -1.32 0.22 -1.15 115.64 114.22 1hg3 s THR 92 Ca 0.21 -0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 1hg3 s THR 92 Cb -0.02 -0.82 -0.07 0.00 -1.51 0.00 0.00 72.50 70.07 1hg3 s THR 92 CO 0.05 -0.10 0.65 -0.76 -2.21 0.00 0.00 174.62 172.25 1hg3 s LEU 93 N -1.06 4.05 0.01 9.08 1.43 -0.18 -1.39 118.68 130.62 1hg3 s LEU 93 Ca -0.11 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1hg3 s LEU 93 Cb -0.02 -3.85 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 1hg3 s LEU 93 CO 0.07 -0.20 0.13 -0.76 0.23 0.00 0.00 176.35 175.82 1hg3 s LEU 94 N -3.18 1.58 -1.50 1.79 1.43 -0.37 -3.31 118.68 115.11 1hg3 s LEU 94 Ca 0.50 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1hg3 s LEU 94 Cb -0.11 0.68 0.07 0.00 0.03 0.00 0.00 46.19 46.86 1hg3 s LEU 94 CO 0.23 -0.40 0.92 -3.20 0.23 0.00 0.00 176.35 174.14 1hg3 n ASN 95 N 1.33 -4.96 -4.77 2.29 5.15 -1.26 -0.03 115.26 113.00 1hg3 n ASN 95 Ca -0.22 -0.68 -0.36 0.00 -0.60 0.00 0.00 54.58 52.72 1hg3 n ASN 95 Cb 0.56 -3.97 0.00 0.00 -0.53 0.00 0.00 39.78 35.84 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 -3.25 2.68 0.47 1.20 5.65 -1.25 -4.12 115.29 116.67 1hg3 s HIS 96 Ca 0.61 1.54 0.30 0.00 0.25 0.00 0.00 55.06 57.75 1hg3 s HIS 96 Cb -0.30 -3.34 1.38 0.00 -1.18 0.00 0.00 32.58 29.14 1hg3 s HIS 96 CO 0.75 -1.64 1.74 1.03 -0.65 0.00 0.00 174.74 175.97 1hg3 h SER 97 N 1.37 0.21 -0.07 9.88 0.87 -1.92 0.63 113.55 124.53 1hg3 h SER 97 Ca -0.50 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1hg3 h SER 97 Cb 1.26 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1hg3 h SER 97 CO 0.57 -0.01 0.00 -0.62 -0.53 0.00 0.00 176.83 176.25 1hg3 n GLU 98 N -4.43 1.53 -2.73 2.24 1.02 -1.26 -4.19 120.64 112.82 1hg3 n GLU 98 Ca 0.29 -0.79 -0.08 0.00 -0.02 0.00 0.00 57.16 56.56 1hg3 n GLU 98 Cb 1.21 -1.43 0.09 0.00 -0.02 0.00 0.00 31.44 31.29 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 -0.02 -1.48 -4.73 1.62 5.15 0.21 -5.14 115.26 110.88 1hg3 n ASN 99 Ca 0.18 -2.85 -0.40 0.00 -0.60 0.00 0.00 54.58 50.92 1hg3 n ASN 99 Cb 0.28 0.99 0.03 0.00 -0.53 0.00 0.00 39.78 40.55 1hg3 n ASN 99 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1hg3 n ARG 100 N -0.24 1.87 -4.14 1.20 1.74 -0.78 -3.93 116.66 112.39 1hg3 n ARG 100 Ca 0.02 0.68 -0.23 0.00 -0.77 0.00 0.00 57.85 57.55 1hg3 n ARG 100 Cb 0.80 -2.52 -0.06 0.00 -1.02 0.00 0.00 32.46 29.65 1hg3 n ARG 100 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1hg3 s MET 101 N -2.58 2.40 -0.05 5.56 -1.94 -1.26 -4.98 119.30 116.45 1hg3 s MET 101 Ca 0.66 -1.48 -0.27 0.00 -1.71 0.00 0.00 55.69 52.89 1hg3 s MET 101 Cb -0.45 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 1hg3 s MET 101 CO 0.54 0.19 0.88 0.42 -0.01 0.00 0.00 175.02 177.03 1hg3 s ILE 102 N -2.38 4.92 0.19 2.53 1.01 -1.26 -4.90 121.20 121.31 1hg3 s ILE 102 Ca 0.36 1.82 -0.12 0.00 0.00 0.00 0.00 60.65 62.70 1hg3 s ILE 102 Cb -0.04 -4.21 0.23 0.00 0.01 0.00 0.00 42.46 38.45 1hg3 s ILE 102 CO 0.22 0.16 1.25 -0.11 0.00 0.00 0.00 174.94 176.46 1hg3 n LEU 103 N 4.12 -0.47 -0.32 2.97 7.94 -1.26 0.21 117.00 130.19 1hg3 n LEU 103 Ca 0.04 1.40 -0.03 0.00 -1.11 0.00 0.00 56.01 56.30 1hg3 n LEU 103 Cb 0.51 -0.34 0.09 0.00 0.53 0.00 0.00 43.42 44.20 1hg3 n LEU 103 CO 0.50 -1.27 1.23 0.00 -1.11 0.00 0.00 177.39 176.74 1hg3 h ALA 104 N 1.22 1.10 -0.66 1.96 0.00 -2.01 -2.17 119.26 118.70 1hg3 h ALA 104 Ca 0.30 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1hg3 h ALA 104 Cb 0.50 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1hg3 h ALA 104 CO -0.80 0.46 0.16 -0.44 0.00 0.00 0.00 179.25 178.64 1hg3 h ASP 105 N 1.14 0.97 0.17 0.00 3.32 -0.63 -2.34 116.42 119.05 1hg3 h ASP 105 Ca 0.32 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1hg3 h ASP 105 Cb -0.10 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1hg3 h ASP 105 CO -0.08 0.93 -0.15 0.25 -1.72 0.00 0.00 179.24 178.48 1hg3 h LEU 106 N 0.98 -0.38 -0.97 1.55 6.46 -0.61 0.31 115.31 122.64 1hg3 h LEU 106 Ca 0.21 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.94 1hg3 h LEU 106 Cb 0.34 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1hg3 h LEU 106 CO -0.00 -0.23 -0.30 1.05 -0.62 0.00 0.00 178.44 178.34 1hg3 h GLU 107 N -0.33 0.00 -0.21 1.25 -0.00 -1.47 -0.68 114.58 113.13 1hg3 h GLU 107 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.17 1hg3 h GLU 107 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 1hg3 h GLU 107 CO -0.03 0.30 -0.62 0.00 -0.00 0.00 0.00 179.01 178.66 1hg3 h ALA 108 N 1.70 0.50 -0.51 1.06 0.00 -1.05 -1.99 119.26 118.96 1hg3 h ALA 108 Ca -0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1hg3 h ALA 108 Cb 0.84 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1hg3 h ALA 108 CO 0.04 0.69 -0.04 0.00 0.00 0.00 0.00 179.25 179.94 1hg3 h ALA 109 N 0.75 0.95 -0.23 0.00 0.00 0.05 0.21 119.26 120.99 1hg3 h ALA 109 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1hg3 h ALA 109 Cb 1.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1hg3 h ALA 109 CO 0.13 0.62 0.06 0.82 0.00 0.00 0.00 179.25 180.89 1hg3 h ILE 110 N 0.82 1.20 -0.34 0.00 2.04 -1.02 0.78 117.51 121.00 1hg3 h ILE 110 Ca 0.15 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1hg3 h ILE 110 Cb 0.55 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1hg3 h ILE 110 CO 0.03 0.21 0.21 0.03 0.00 0.00 0.00 178.15 178.63 1hg3 h ARG 111 N 0.20 0.45 -0.89 2.37 2.47 -1.13 -1.86 114.38 115.98 1hg3 h ARG 111 Ca 0.07 -0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 1hg3 h ARG 111 Cb 0.26 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.41 1hg3 h ARG 111 CO -0.00 0.33 0.54 -0.09 0.56 0.00 0.00 179.97 181.31 1hg3 h ARG 112 N 0.44 0.90 -0.16 0.04 9.65 -0.34 -1.10 114.38 123.81 1hg3 h ARG 112 Ca 0.12 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1hg3 h ARG 112 Cb -0.01 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 1hg3 h ARG 112 CO -0.02 0.60 -0.30 0.00 2.80 0.00 0.00 179.97 183.04 1hg3 h ALA 113 N 1.46 1.20 -0.12 2.80 0.00 -0.26 -2.75 119.26 121.59 1hg3 h ALA 113 Ca 0.42 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1hg3 h ALA 113 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hg3 h ALA 113 CO -0.22 0.53 -0.08 0.93 0.00 0.00 0.00 179.25 180.40 1hg3 h GLU 114 N 0.27 0.26 -0.94 0.00 5.08 -0.45 0.69 114.58 119.50 1hg3 h GLU 114 Ca 0.04 -0.13 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1hg3 h GLU 114 Cb 0.67 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1hg3 h GLU 114 CO 0.05 0.63 0.60 0.93 -1.00 0.00 0.00 179.01 180.22 1hg3 h GLU 115 N -0.11 0.80 0.00 2.33 5.08 -1.21 -0.20 114.58 121.26 1hg3 h GLU 115 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1hg3 h GLU 115 Cb 0.57 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1hg3 h GLU 115 CO 0.02 0.53 -0.48 0.28 -1.00 0.00 0.00 179.01 178.36 1hg3 n VAL 116 N -4.59 0.06 -1.66 3.13 0.31 -1.05 -4.97 118.33 109.56 1hg3 n VAL 116 Ca 0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1hg3 n VAL 116 Cb 0.42 0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.47 0.73 3.57 2.92 0.00 0.13 -4.98 105.19 109.03 1hg3 n GLY 117 Ca 0.05 -0.69 -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 -0.11 3.50 0.70 0.99 1.43 0.22 -4.83 118.68 120.58 1hg3 s LEU 118 Ca 0.00 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 1hg3 s LEU 118 Cb 0.00 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1hg3 s LEU 118 CO 0.00 0.19 1.14 -0.04 0.23 0.00 0.00 176.35 177.88 1hg3 s MET 119 N 0.24 2.44 -0.08 1.70 -1.94 -0.56 -4.25 119.30 116.85 1hg3 s MET 119 Ca 0.00 1.52 0.05 0.00 -1.71 0.00 0.00 55.69 55.55 1hg3 s MET 119 Cb -0.13 -1.89 -0.00 0.00 2.01 0.00 0.00 34.83 34.81 1hg3 s MET 119 CO 0.02 -1.55 -0.23 0.95 -0.01 0.00 0.00 175.02 174.19 1hg3 s THR 120 N -2.26 1.96 -0.40 2.05 -4.23 -1.26 -0.61 115.64 110.90 1hg3 s THR 120 Ca 0.69 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1hg3 s THR 120 Cb -0.23 -1.68 0.12 0.00 1.34 0.00 0.00 72.50 72.04 1hg3 s THR 120 CO 0.44 0.54 0.17 -0.32 -0.54 0.00 0.00 174.62 174.91 1hg3 s MET 121 N 0.12 1.28 -0.13 3.99 0.00 -0.49 -0.87 119.30 123.21 1hg3 s MET 121 Ca -0.11 -1.82 -0.20 0.00 0.00 0.00 0.00 55.69 53.56 1hg3 s MET 121 Cb -0.16 -2.57 -0.04 0.00 0.00 0.00 0.00 34.83 32.06 1hg3 s MET 121 CO 0.06 -1.06 0.55 0.08 0.00 0.00 0.00 175.02 174.65 1hg3 s VAL 122 N 0.70 5.12 0.33 10.11 1.01 0.84 -1.24 120.40 137.28 1hg3 s VAL 122 Ca 0.14 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 1hg3 s VAL 122 Cb -0.22 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1hg3 s VAL 122 CO -0.08 0.26 0.76 0.00 0.00 0.00 0.00 175.10 176.04 1hg3 s SER 124 N -2.22 1.37 -0.00 0.00 1.04 0.42 -4.73 113.70 109.57 1hg3 s SER 124 Ca 0.54 -0.85 0.15 0.00 0.48 0.00 0.00 55.95 56.28 1hg3 s SER 124 Cb -0.10 0.03 -0.18 0.00 0.10 0.00 0.00 66.02 65.86 1hg3 s SER 124 CO 0.17 -0.31 0.61 -0.46 0.98 0.00 0.00 173.24 174.23 1hg3 n ASN 125 N 0.44 0.82 -3.79 7.02 6.94 -1.26 -1.28 115.26 124.15 1hg3 n ASN 125 Ca -0.15 -0.73 -0.06 0.00 -0.02 0.00 0.00 54.58 53.62 1hg3 n ASN 125 Cb 0.58 1.11 -0.02 0.00 -2.36 0.00 0.00 39.78 39.10 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 -2.66 -0.25 0.16 0.53 6.03 -1.26 -4.42 114.94 113.08 1hg3 s ASN 126 Ca 0.04 -0.49 -0.20 0.00 -1.03 0.00 0.00 52.86 51.18 1hg3 s ASN 126 Cb 0.11 0.62 0.08 0.00 -3.03 0.00 0.00 41.25 39.03 1hg3 s ASN 126 CO 0.63 -1.15 1.64 -0.65 -2.03 0.00 0.00 177.10 175.55 1hg3 h PRO 127 N 2.00 -0.14 -0.40 3.55 0.11 -1.94 0.67 132.00 135.84 1hg3 h PRO 127 Ca -0.22 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.97 1hg3 h PRO 127 Cb 1.25 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1hg3 h PRO 127 CO 0.25 -0.10 0.08 0.00 -0.21 0.00 0.00 178.00 178.02 1hg3 h ALA 128 N 1.06 0.44 -0.39 -0.75 0.00 -1.97 0.88 119.26 118.53 1hg3 h ALA 128 Ca 0.18 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1hg3 h ALA 128 Cb 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1hg3 h ALA 128 CO -0.45 -0.32 -0.00 0.28 0.00 0.00 0.00 179.25 178.76 1hg3 h VAL 129 N 0.21 1.22 -0.86 0.00 2.07 -1.87 -1.65 116.25 115.37 1hg3 h VAL 129 Ca 0.19 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1hg3 h VAL 129 Cb 0.23 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1hg3 h VAL 129 CO -0.25 0.30 0.53 0.28 0.02 0.00 0.00 177.57 178.45 1hg3 h SER 130 N 0.59 1.02 -0.37 0.57 0.02 0.84 0.89 113.55 117.11 1hg3 h SER 130 Ca 0.12 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1hg3 h SER 130 Cb 0.38 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1hg3 h SER 130 CO 0.01 0.77 -0.02 0.00 -1.14 0.00 0.00 176.83 176.46 1hg3 h ALA 131 N 1.40 0.50 -0.69 3.77 0.00 -0.14 -1.71 119.26 122.38 1hg3 h ALA 131 Ca 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1hg3 h ALA 131 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1hg3 h ALA 131 CO -0.06 0.29 0.37 0.00 0.00 0.00 0.00 179.25 179.85 1hg3 h ALA 132 N 0.86 0.89 -0.81 0.00 0.00 -0.60 -1.99 119.26 117.61 1hg3 h ALA 132 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1hg3 h ALA 132 Cb 0.49 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1hg3 h ALA 132 CO 0.02 0.41 0.36 0.28 0.00 0.00 0.00 179.25 180.32 1hg3 h VAL 133 N 0.95 1.26 -0.84 0.00 2.07 -0.74 -2.76 116.25 116.20 1hg3 h VAL 133 Ca 0.24 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1hg3 h VAL 133 Cb 0.05 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1hg3 h VAL 133 CO -0.04 0.32 0.55 0.00 0.02 0.00 0.00 177.57 178.43 1hg3 h ALA 134 N 1.21 1.07 0.00 1.67 0.00 -0.63 -1.00 119.26 121.58 1hg3 h ALA 134 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1hg3 h ALA 134 Cb 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1hg3 h ALA 134 CO -0.03 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1hg3 n ALA 135 N -2.33 1.29 1.43 0.00 0.00 -0.81 -0.12 120.51 119.97 1hg3 n ALA 135 Ca 0.09 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1hg3 n ALA 135 Cb 0.02 -1.34 0.55 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.22 0.85 -3.47 0.00 4.77 -0.38 -4.98 117.00 111.57 1hg3 n LEU 136 Ca 0.00 -0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.59 1hg3 n LEU 136 Cb 0.11 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1hg3 n LEU 136 CO 0.13 0.15 0.02 -3.20 -1.33 0.00 0.00 177.39 173.17 1hg3 n ASN 137 N -0.59 -3.59 -4.51 -1.43 5.15 0.83 -4.97 115.26 106.15 1hg3 n ASN 137 Ca 0.16 -0.74 -0.27 0.00 -0.60 0.00 0.00 54.58 53.13 1hg3 n ASN 137 Cb 0.30 -4.71 0.13 0.00 -0.53 0.00 0.00 39.78 34.98 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 -5.28 1.36 -0.06 1.20 0.02 -1.26 -5.01 135.00 125.97 1hg3 s PRO 138 Ca 0.19 -0.60 -0.26 0.00 0.02 0.00 0.00 61.00 60.35 1hg3 s PRO 138 Cb -0.04 -2.08 -0.23 0.00 0.02 0.00 0.00 34.50 32.17 1hg3 s PRO 138 CO 0.77 -1.81 1.04 -0.44 -0.33 0.00 0.00 177.00 176.23 1hg3 h ASP 139 N -1.03 0.11 -4.61 2.53 3.32 -1.86 -3.42 116.42 111.46 1hg3 h ASP 139 Ca -0.42 -0.74 -0.34 0.00 0.02 0.00 0.00 57.03 55.55 1hg3 h ASP 139 Cb 1.27 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 40.57 1hg3 h ASP 139 CO 0.44 0.83 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.73 1hg3 s TYR 140 N -3.27 0.93 -0.12 4.55 2.02 -0.05 -2.06 117.35 119.35 1hg3 s TYR 140 Ca -0.17 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 1hg3 s TYR 140 Cb 0.00 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 41.04 1hg3 s TYR 140 CO 0.71 -0.02 -0.19 0.54 -1.57 0.00 0.00 175.55 175.02 1hg3 s VAL 141 N -1.29 1.80 -0.32 0.71 0.11 -0.08 -0.11 120.40 121.22 1hg3 s VAL 141 Ca -0.06 -0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 58.10 1hg3 s VAL 141 Cb -0.10 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.18 1hg3 s VAL 141 CO 0.01 0.50 0.08 0.00 -3.33 0.00 0.00 175.10 172.36 1hg3 s ALA 142 N 0.80 3.02 -0.22 1.54 0.00 0.13 -1.46 121.76 125.57 1hg3 s ALA 142 Ca -0.09 -1.63 -0.27 0.00 0.00 0.00 0.00 51.96 49.97 1hg3 s ALA 142 Cb -0.16 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1hg3 s ALA 142 CO 0.00 -1.16 0.94 0.08 0.00 0.00 0.00 175.76 175.63 1hg3 s VAL 143 N 1.43 4.76 -0.22 0.00 1.01 -0.61 -0.43 120.40 126.33 1hg3 s VAL 143 Ca -0.00 1.83 -0.04 0.00 0.00 0.00 0.00 61.98 63.77 1hg3 s VAL 143 Cb -0.18 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.06 1hg3 s VAL 143 CO 0.02 -0.11 0.17 -1.61 0.00 0.00 0.00 175.10 173.57 1hg3 s GLU 144 N 2.90 0.17 0.05 2.72 2.02 -0.40 -0.83 118.70 125.33 1hg3 s GLU 144 Ca 0.40 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.00 1hg3 s GLU 144 Cb -0.15 -1.33 -0.09 0.00 0.10 0.00 0.00 34.13 32.66 1hg3 s GLU 144 CO 0.08 -0.79 1.86 -2.14 0.02 0.00 0.00 175.26 174.29 1hg3 s PRO 145 N 2.22 4.15 0.41 0.39 0.02 -1.26 -4.49 135.00 136.44 1hg3 s PRO 145 Ca 0.06 2.53 0.08 0.00 0.02 0.00 0.00 61.00 63.69 1hg3 s PRO 145 Cb -0.16 -3.92 0.86 0.00 0.02 0.00 0.00 34.50 31.31 1hg3 s PRO 145 CO -0.19 -0.89 2.03 -1.35 -0.33 0.00 0.00 177.00 176.27 1hg3 h PRO 146 N 9.66 0.56 0.00 5.54 0.11 -1.93 -2.16 132.00 143.77 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 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1hg3 h PRO 146 CO 0.94 0.37 0.00 0.39 -0.21 0.00 0.00 178.00 179.49 1hg3 n GLU 147 N -4.47 0.02 -0.00 1.05 4.71 -1.26 -2.24 120.64 118.44 1hg3 n GLU 147 Ca 0.05 0.36 0.04 0.00 -0.01 0.00 0.00 57.16 57.60 1hg3 n GLU 147 Cb 0.13 -1.54 -0.05 0.00 -1.01 0.00 0.00 31.44 28.97 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 -1.58 0.25 -0.36 -4.62 4.77 -0.83 -4.74 117.00 109.88 1hg3 n LEU 148 Ca 0.02 -0.32 0.29 0.00 -0.03 0.00 0.00 56.01 55.97 1hg3 n LEU 148 Cb 0.11 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.65 1hg3 n LEU 148 CO 0.09 0.06 0.91 -0.38 -1.33 0.00 0.00 177.39 176.74 1hg3 n ILE 149 N -1.40 0.00 -1.03 -0.08 2.08 -0.95 -2.14 119.36 115.83 1hg3 n ILE 149 Ca 0.00 0.91 0.00 0.00 0.56 0.00 0.00 62.75 64.22 1hg3 n ILE 149 Cb 0.16 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.50 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 -1.53 1.00 0.13 7.39 0.00 -1.26 -4.56 105.19 106.36 1hg3 n GLY 150 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 1.11 -1.00 2.61 -2.24 -0.91 -4.83 114.28 109.03 1hg3 n THR 151 Ca 0.00 0.58 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 1hg3 n THR 151 Cb 0.19 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 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 -0.98 0.55 3.51 3.38 0.00 -1.26 -5.00 105.19 105.39 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 -2.22 5.15 0.27 -0.61 1.01 -1.26 -4.84 121.20 118.70 1hg3 s ILE 153 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 1hg3 s ILE 153 Cb 0.00 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.42 1hg3 s ILE 153 CO 0.00 -0.24 1.28 -2.65 0.00 0.00 0.00 174.94 173.33 1hg3 n PRO 154 N 5.44 1.85 0.18 2.79 -0.02 -1.17 -3.91 135.00 140.15 1hg3 n PRO 154 Ca -0.09 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 1hg3 n PRO 154 Cb 0.48 -2.22 0.22 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.69 0.77 0.00 -1.45 -1.51 -1.57 -2.07 116.25 113.10 1hg3 h VAL 155 Ca -0.44 -1.73 -0.10 0.00 -1.23 0.00 0.00 66.70 63.20 1hg3 h VAL 155 Cb 1.30 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 32.56 1hg3 h VAL 155 CO 0.69 0.38 -0.49 0.77 -1.23 0.00 0.00 177.57 177.68 1hg3 h SER 156 N 0.00 0.00 0.02 4.19 4.64 -1.89 -3.28 113.55 117.23 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 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1hg3 h SER 156 CO 0.05 0.49 -0.01 0.11 -0.87 0.00 0.00 176.83 176.60 1hg3 h LYS 157 N 0.00 -0.03 -5.62 4.77 1.57 -1.90 -3.41 116.57 111.95 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 0.98 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.22 1hg3 h LYS 157 CO 0.06 -0.02 -0.45 0.00 -0.57 0.00 0.00 179.45 178.47 1hg3 s ALA 158 N -2.74 3.83 -0.86 3.86 0.00 -0.80 -4.46 121.76 120.60 1hg3 s ALA 158 Ca -0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 1hg3 s ALA 158 Cb 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1hg3 s ALA 158 CO 0.01 0.54 0.74 1.63 0.00 0.00 0.00 175.76 178.69 1hg3 n LYS 159 N 2.19 -4.99 0.29 0.00 5.02 -1.26 -4.29 118.16 115.12 1hg3 n LYS 159 Ca -0.19 0.53 0.16 0.00 -2.02 0.00 0.00 58.31 56.80 1hg3 n LYS 159 Cb 0.54 -4.67 0.90 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 -1.66 0.00 -0.42 1.97 0.11 -1.78 -1.61 132.00 128.62 1hg3 h PRO 160 Ca -0.37 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.75 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 0.04 0.28 0.93 -0.21 0.00 0.00 178.00 179.39 1hg3 h GLU 161 N 0.00 0.54 0.00 1.05 3.07 -1.91 -0.17 114.58 117.16 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 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1hg3 h GLU 161 CO 0.01 0.36 -0.04 0.28 -1.40 0.00 0.00 179.01 178.21 1hg3 h VAL 162 N 0.56 0.88 0.03 3.13 2.07 -1.66 0.24 116.25 121.49 1hg3 h VAL 162 Ca 0.15 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 1hg3 h VAL 162 Cb -0.05 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1hg3 h VAL 162 CO -0.03 0.04 -0.69 0.40 0.02 0.00 0.00 177.57 177.31 1hg3 h ILE 163 N 0.00 1.37 -0.33 4.57 2.04 -1.19 -3.16 117.51 120.80 1hg3 h ILE 163 Ca -0.00 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 1hg3 h ILE 163 Cb 0.08 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 1hg3 h ILE 163 CO 0.01 0.53 0.16 0.74 0.00 0.00 0.00 178.15 179.58 1hg3 h THR 164 N -0.85 1.16 -0.21 -0.27 2.02 -1.07 -0.70 112.91 112.99 1hg3 h THR 164 Ca -0.17 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1hg3 h THR 164 Cb 1.26 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1hg3 h THR 164 CO -0.05 0.17 -0.11 0.78 0.37 0.00 0.00 175.52 176.67 1hg3 h ASN 165 N 0.40 0.32 0.25 4.18 2.35 -0.70 -1.73 115.58 120.65 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 0.13 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1hg3 h ASN 165 CO -0.01 0.47 -0.12 0.74 -1.65 0.00 0.00 177.43 176.85 1hg3 h THR 166 N 0.32 0.75 -0.89 2.81 2.02 -1.45 0.80 112.91 117.27 1hg3 h THR 166 Ca 0.06 -0.76 0.16 0.00 0.77 0.00 0.00 66.41 66.65 1hg3 h THR 166 Cb 0.40 1.14 -0.10 0.00 -1.74 0.00 0.00 68.15 67.86 1hg3 h THR 166 CO 0.02 0.15 0.48 0.58 0.37 0.00 0.00 175.52 177.12 1hg3 h VAL 167 N -0.77 0.72 0.47 3.16 2.07 -0.97 0.39 116.25 121.31 1hg3 h VAL 167 Ca -0.03 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1hg3 h VAL 167 Cb 0.50 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1hg3 h VAL 167 CO 0.06 0.12 -0.22 -0.33 0.02 0.00 0.00 177.57 177.21 1hg3 h GLU 168 N 0.66 -0.60 -0.49 1.57 5.08 -1.27 -1.86 114.58 117.68 1hg3 h GLU 168 Ca 0.50 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.96 1hg3 h GLU 168 Cb 0.72 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 1hg3 h GLU 168 CO -0.37 -0.32 0.17 -0.07 -1.00 0.00 0.00 179.01 177.42 1hg3 h LEU 169 N -1.07 0.17 0.04 1.33 3.38 -0.43 -0.52 115.31 118.21 1hg3 h LEU 169 Ca -0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hg3 h LEU 169 Cb 0.56 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1hg3 h LEU 169 CO 0.11 0.13 -0.02 0.58 0.09 0.00 0.00 178.44 179.32 1hg3 h VAL 170 N 0.34 0.97 -0.89 1.22 2.07 -0.32 0.11 116.25 119.75 1hg3 h VAL 170 Ca 0.23 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1hg3 h VAL 170 Cb 0.25 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1hg3 h VAL 170 CO -0.24 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.43 1hg3 h LYS 171 N -0.05 0.85 -0.11 1.57 3.64 -0.87 0.19 116.57 121.79 1hg3 h LYS 171 Ca -0.01 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1hg3 h LYS 171 Cb 0.04 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1hg3 h LYS 171 CO 0.01 0.56 -0.71 -0.22 -2.27 0.00 0.00 179.45 176.83 1hg3 h LYS 172 N 0.88 0.51 0.11 1.90 3.64 -0.64 -3.14 116.57 119.83 1hg3 h LYS 172 Ca 0.42 -0.40 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 1hg3 h LYS 172 Cb 0.42 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1hg3 h LYS 172 CO -0.18 1.02 -0.64 0.28 -2.27 0.00 0.00 179.45 177.67 1hg3 h VAL 173 N 0.36 1.57 -1.63 2.00 2.07 -0.10 -3.45 116.25 117.07 1hg3 h VAL 173 Ca -0.03 -2.49 -0.21 0.00 0.82 0.00 0.00 66.70 64.79 1hg3 h VAL 173 Cb 1.29 3.24 -0.27 0.00 -1.52 0.00 0.00 31.29 34.02 1hg3 h VAL 173 CO 0.13 0.69 -0.56 0.21 0.02 0.00 0.00 177.57 178.06 1hg3 s ASN 174 N -6.80 0.21 0.61 0.57 3.84 0.58 -4.87 114.94 109.08 1hg3 s ASN 174 Ca -0.15 -0.74 0.29 0.00 0.21 0.00 0.00 52.86 52.47 1hg3 s ASN 174 Cb 0.00 1.13 1.56 0.00 -0.55 0.00 0.00 41.25 43.39 1hg3 s ASN 174 CO 0.80 -0.30 1.95 -0.65 -2.79 0.00 0.00 177.10 176.11 1hg3 h PRO 175 N 7.68 0.00 0.00 0.43 0.11 -1.69 -2.16 132.00 136.38 1hg3 h PRO 175 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1hg3 h PRO 175 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hg3 h PRO 175 CO 0.22 0.00 -0.14 0.93 -0.21 0.00 0.00 178.00 178.80 1hg3 h GLU 176 N 0.00 0.00 -6.59 1.05 5.08 -1.91 -3.45 114.58 108.76 1hg3 h GLU 176 Ca 0.13 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.98 1hg3 h GLU 176 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1hg3 h GLU 176 CO -0.00 0.00 0.36 0.08 -1.00 0.00 0.00 179.01 178.44 1hg3 s VAL 177 N -3.21 4.43 0.02 3.13 1.01 -0.81 -4.98 120.40 119.99 1hg3 s VAL 177 Ca 0.06 2.07 -0.00 0.00 0.00 0.00 0.00 61.98 64.11 1hg3 s VAL 177 Cb 0.07 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1hg3 s VAL 177 CO 0.68 0.35 0.11 -0.54 0.00 0.00 0.00 175.10 175.70 1hg3 s LYS 178 N -0.21 3.14 -0.12 2.72 -0.14 -0.88 -4.83 119.74 119.42 1hg3 s LYS 178 Ca 0.46 -0.49 -0.03 0.00 -1.36 0.00 0.00 55.97 54.55 1hg3 s LYS 178 Cb -0.24 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 1hg3 s LYS 178 CO 0.30 0.63 -0.02 0.08 -0.76 0.00 0.00 175.35 175.58 1hg3 s VAL 179 N -1.29 4.11 0.23 3.17 1.01 -1.26 -0.90 120.40 125.47 1hg3 s VAL 179 Ca 0.26 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.01 1hg3 s VAL 179 Cb -0.12 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1hg3 s VAL 179 CO 0.18 0.55 -0.09 -0.76 0.00 0.00 0.00 175.10 174.98 1hg3 s LEU 180 N -0.30 2.48 0.14 3.92 1.43 -0.53 -0.31 118.68 125.50 1hg3 s LEU 180 Ca 0.06 -1.11 0.06 0.00 -1.03 0.00 0.00 54.13 52.10 1hg3 s LEU 180 Cb -0.12 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 1hg3 s LEU 180 CO 0.02 -0.29 -0.13 0.00 0.23 0.00 0.00 176.35 176.18 1hg3 s GLY 182 N -2.71 1.59 0.00 0.00 0.00 -0.01 -1.45 107.32 104.73 1hg3 s GLY 182 Ca 0.12 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1hg3 s GLY 182 CO 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 173.10 171.95 1hg3 n ALA 183 N -0.49 -0.90 -0.31 3.20 0.00 -1.24 -4.32 120.51 116.44 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 1.75 1.84 3.65 0.00 0.00 -1.25 -1.91 105.19 109.26 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 -3.13 3.79 0.00 -0.61 -1.09 -1.26 -3.05 121.20 115.85 1hg3 s ILE 185 Ca 0.00 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1hg3 s ILE 185 Cb 0.00 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 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 7.54 0.00 -4.80 3.58 3.41 -1.26 -4.59 113.62 117.51 1hg3 n SER 186 Ca 0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.47 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 -0.06 4.74 0.50 6.66 2.01 -1.26 -4.63 115.64 123.60 1hg3 s THR 187 Ca 0.00 -0.58 0.33 0.00 0.31 0.00 0.00 61.69 61.75 1hg3 s THR 187 Cb 0.00 -3.25 0.36 0.00 0.01 0.00 0.00 72.50 69.62 1hg3 s THR 187 CO 0.00 0.21 2.19 1.23 -0.69 0.00 0.00 174.62 177.56 1hg3 h GLY 188 N 3.54 0.00 1.03 4.40 0.00 -1.77 -1.39 103.07 108.88 1hg3 h GLY 188 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1hg3 h GLY 188 CO 0.66 0.00 -0.29 -2.09 0.00 0.00 0.00 176.54 174.82 1hg3 h GLU 189 N 0.00 0.80 -0.93 4.80 4.81 -1.89 -1.04 114.58 121.14 1hg3 h GLU 189 Ca -0.00 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1hg3 h GLU 189 Cb 0.17 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1hg3 h GLU 189 CO 0.01 1.03 0.53 -0.44 -0.73 0.00 0.00 179.01 179.41 1hg3 h ASP 190 N 0.58 1.14 -0.29 1.04 3.32 -1.67 0.29 116.42 120.83 1hg3 h ASP 190 Ca 0.06 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1hg3 h ASP 190 Cb 0.86 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1hg3 h ASP 190 CO 0.07 0.89 -0.01 0.58 -1.72 0.00 0.00 179.24 179.05 1hg3 h VAL 191 N 1.29 1.22 -0.18 -1.35 2.07 -1.23 0.13 116.25 118.21 1hg3 h VAL 191 Ca 0.33 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1hg3 h VAL 191 Cb -0.01 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1hg3 h VAL 191 CO -0.06 0.31 -0.11 0.50 0.02 0.00 0.00 177.57 178.23 1hg3 h LYS 192 N 0.60 0.39 0.37 1.57 3.64 0.17 -2.74 116.57 120.57 1hg3 h LYS 192 Ca 0.12 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1hg3 h LYS 192 Cb 0.40 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1hg3 h LYS 192 CO 0.02 0.71 -0.18 0.87 -2.27 0.00 0.00 179.45 178.60 1hg3 h LYS 193 N 0.06 -0.48 -0.68 1.90 1.57 -0.08 -1.53 116.57 117.33 1hg3 h LYS 193 Ca 0.04 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 1hg3 h LYS 193 Cb 0.61 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.90 1hg3 h LYS 193 CO 0.03 -0.29 -0.27 0.00 -0.57 0.00 0.00 179.45 178.35 1hg3 h ALA 194 N 0.08 0.22 -0.59 3.86 0.00 -0.80 0.06 119.26 122.09 1hg3 h ALA 194 Ca -0.05 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1hg3 h ALA 194 Cb 0.41 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hg3 h ALA 194 CO 0.08 -0.55 0.07 0.82 0.00 0.00 0.00 179.25 179.68 1hg3 h ILE 195 N -0.08 1.25 -0.97 0.00 2.04 -1.36 -2.67 117.51 115.73 1hg3 h ILE 195 Ca 0.29 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1hg3 h ILE 195 Cb 0.55 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1hg3 h ILE 195 CO -0.73 0.37 0.61 -0.33 0.00 0.00 0.00 178.15 178.07 1hg3 h GLU 196 N 0.92 1.30 0.00 2.37 5.08 0.01 -1.39 114.58 122.87 1hg3 h GLU 196 Ca 0.18 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1hg3 h GLU 196 Cb 0.43 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1hg3 h GLU 196 CO 0.01 0.89 0.00 1.28 -1.00 0.00 0.00 179.01 180.19 1hg3 n LEU 197 N -4.37 0.00 0.00 1.33 4.77 -0.27 -4.79 117.00 113.68 1hg3 n LEU 197 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1hg3 n LEU 197 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1hg3 n LEU 197 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1hg3 n GLY 198 N -0.14 0.68 3.85 -0.72 0.00 -0.53 -4.61 105.19 103.73 1hg3 n GLY 198 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 3.82 -1.66 2.61 2.01 -1.03 -4.86 115.64 114.52 1hg3 s THR 199 Ca 0.00 0.59 0.15 0.00 0.31 0.00 0.00 61.69 62.74 1hg3 s THR 199 Cb 0.00 -3.49 0.20 0.00 0.01 0.00 0.00 72.50 69.22 1hg3 s THR 199 CO 0.00 -0.77 1.07 0.52 -0.69 0.00 0.00 174.62 174.75 1hg3 n VAL 200 N -3.05 0.28 -3.97 3.82 0.31 0.58 -4.47 118.33 111.84 1hg3 n VAL 200 Ca 0.07 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1hg3 n VAL 200 Cb 0.56 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.56 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 0.83 -0.90 2.99 2.92 0.00 -1.26 -1.19 105.19 108.58 1hg3 n GLY 201 Ca 0.10 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 0.11 -0.20 1.61 1.01 0.25 -3.12 120.40 117.06 1hg3 s VAL 202 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1hg3 s VAL 202 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1hg3 s VAL 202 CO 0.00 -0.52 -0.13 -0.22 0.00 0.00 0.00 175.10 174.24 1hg3 s LEU 203 N -1.52 2.54 0.24 3.92 2.96 -0.53 -0.34 118.68 125.95 1hg3 s LEU 203 Ca -0.15 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.14 1hg3 s LEU 203 Cb -0.09 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1hg3 s LEU 203 CO -0.01 -0.02 0.26 -1.48 -1.32 0.00 0.00 176.35 173.77 1hg3 s LEU 204 N 1.36 1.03 0.00 -0.68 0.05 -0.65 -3.67 118.68 116.12 1hg3 s LEU 204 Ca 0.05 -1.35 0.00 0.00 0.05 0.00 0.00 54.13 52.88 1hg3 s LEU 204 Cb -0.14 0.81 0.00 0.00 -2.05 0.00 0.00 46.19 44.81 1hg3 s LEU 204 CO -0.08 -0.98 0.00 0.00 -0.55 0.00 0.00 176.35 174.74 1hg3 n ALA 205 N -0.37 1.64 -0.27 1.48 0.00 -1.26 0.31 120.51 122.04 1hg3 n ALA 205 Ca 0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.67 1hg3 n ALA 205 Cb 0.64 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.61 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 0.40 -0.96 0.00 4.64 -1.91 0.01 113.55 115.73 1hg3 h SER 206 Ca 0.00 0.05 0.22 0.00 -0.47 0.00 0.00 61.79 61.59 1hg3 h SER 206 Cb 0.00 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 1hg3 h SER 206 CO 0.00 0.14 0.63 1.23 -0.87 0.00 0.00 176.83 177.95 1hg3 h GLY 207 N 0.39 1.09 0.00 -0.77 0.00 -1.93 0.11 103.07 101.95 1hg3 h GLY 207 Ca 0.51 -0.22 -0.46 0.00 0.00 0.00 0.00 47.33 47.17 1hg3 h GLY 207 CO -0.20 -0.05 -2.49 -0.62 0.00 0.00 0.00 176.54 173.18 1hg3 n VAL 208 N -4.57 1.53 -0.27 4.60 0.31 -0.75 -4.05 118.33 115.13 1hg3 n VAL 208 Ca 0.22 -0.38 0.19 0.00 -0.01 0.00 0.00 64.34 64.36 1hg3 n VAL 208 Cb 0.74 -1.88 0.49 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.98 0.65 -0.02 2.52 1.03 -0.86 -1.53 112.91 113.73 1hg3 h THR 209 Ca -0.69 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 1hg3 h THR 209 Cb 1.61 0.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 1hg3 h THR 209 CO -0.41 0.08 -0.27 0.29 -0.01 0.00 0.00 175.52 175.19 1hg3 n LYS 210 N -4.55 1.60 -2.02 0.00 4.76 0.35 -4.72 118.16 113.58 1hg3 n LYS 210 Ca 0.21 -1.23 -0.42 0.00 -2.87 0.00 0.00 58.31 54.00 1hg3 n LYS 210 Cb 0.72 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.09 3.68 0.32 7.82 0.00 -0.58 -4.89 121.76 126.02 1hg3 s ALA 211 Ca 0.19 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.48 1hg3 s ALA 211 Cb 0.17 -3.58 0.61 0.00 0.00 0.00 0.00 23.12 20.32 1hg3 s ALA 211 CO 0.42 -0.73 1.90 0.87 0.00 0.00 0.00 175.76 178.23 1hg3 h LYS 212 N 6.04 0.90 -3.07 0.00 1.57 -1.93 -3.27 116.57 116.82 1hg3 h LYS 212 Ca -0.44 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 57.67 1hg3 h LYS 212 Cb 1.21 -0.20 -0.41 0.00 0.08 0.00 0.00 32.23 32.91 1hg3 h LYS 212 CO 0.85 0.60 -0.69 0.34 -0.57 0.00 0.00 179.45 179.98 1hg3 s ASP 213 N -5.95 3.94 0.27 0.86 2.15 -1.26 -5.01 116.67 111.67 1hg3 s ASP 213 Ca -0.11 -3.10 -0.02 0.00 0.43 0.00 0.00 52.55 49.75 1hg3 s ASP 213 Cb 0.21 -1.31 0.59 0.00 -0.30 0.00 0.00 42.92 42.11 1hg3 s ASP 213 CO 0.80 -0.20 1.64 -0.65 -0.17 0.00 0.00 175.17 176.59 1hg3 h PRO 214 N 6.21 0.16 0.01 4.34 0.11 -1.80 -1.79 132.00 139.23 1hg3 h PRO 214 Ca 0.04 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.16 1hg3 h PRO 214 Cb 0.87 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1hg3 h PRO 214 CO 0.59 0.10 -0.11 1.49 -0.21 0.00 0.00 178.00 179.87 1hg3 h GLU 215 N 0.16 -0.19 -0.84 1.05 4.81 -1.93 0.66 114.58 118.30 1hg3 h GLU 215 Ca 0.49 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.80 1hg3 h GLU 215 Cb 0.94 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 1hg3 h GLU 215 CO -0.67 -0.12 0.52 -0.22 -0.73 0.00 0.00 179.01 177.79 1hg3 h LYS 216 N -0.19 0.91 -0.65 1.92 3.64 -1.77 0.20 116.57 120.63 1hg3 h LYS 216 Ca 0.04 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1hg3 h LYS 216 Cb 0.24 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1hg3 h LYS 216 CO -0.11 0.60 0.29 0.00 -2.27 0.00 0.00 179.45 177.96 1hg3 h ALA 217 N 1.41 0.84 -0.43 5.00 0.00 -0.74 0.12 119.26 125.46 1hg3 h ALA 217 Ca 0.37 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1hg3 h ALA 217 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1hg3 h ALA 217 CO -0.18 0.43 -0.11 0.82 0.00 0.00 0.00 179.25 180.22 1hg3 h ILE 218 N 0.91 1.27 -0.66 0.00 2.04 -0.02 -2.21 117.51 118.84 1hg3 h ILE 218 Ca 0.22 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1hg3 h ILE 218 Cb 0.16 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1hg3 h ILE 218 CO -0.02 0.41 0.42 -0.25 0.00 0.00 0.00 178.15 178.72 1hg3 h TRP 219 N 0.67 0.85 -0.31 1.37 7.01 -0.31 -0.54 115.95 124.69 1hg3 h TRP 219 Ca 0.11 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1hg3 h TRP 219 Cb 0.65 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.37 1hg3 h TRP 219 CO 0.05 0.55 -0.00 -0.44 -2.79 0.00 0.00 178.44 175.81 1hg3 h ASP 220 N 0.90 -0.13 -0.41 2.65 3.32 -0.77 0.25 116.42 122.22 1hg3 h ASP 220 Ca 0.24 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.40 1hg3 h ASP 220 Cb -0.07 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1hg3 h ASP 220 CO -0.05 -0.03 0.19 -0.07 -1.72 0.00 0.00 179.24 177.56 1hg3 h LEU 221 N 0.09 0.25 -1.40 1.55 3.38 -1.01 -2.23 115.31 115.94 1hg3 h LEU 221 Ca 0.15 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1hg3 h LEU 221 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1hg3 h LEU 221 CO -0.25 0.19 -0.30 0.58 0.09 0.00 0.00 178.44 178.75 1hg3 h VAL 222 N 0.38 1.07 0.00 1.22 2.07 -0.41 -2.01 116.25 118.57 1hg3 h VAL 222 Ca 0.18 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1hg3 h VAL 222 Cb 0.12 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1hg3 h VAL 222 CO -0.15 0.29 0.00 0.77 0.02 0.00 0.00 177.57 178.51 1hg3 h SER 223 N 0.00 0.00 -0.17 0.57 4.64 0.11 0.06 113.55 118.76 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 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 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 -0.83 1.32 0.00 -0.77 0.00 -0.76 -4.98 105.19 99.17 1hg3 n GLY 224 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1hg3 n GLY 224 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71