#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 0.79 0.23 0.00 1.02 -1.26 -4.94 119.74 115.58 1hg3 s LYS 3 Ca 0.00 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.26 1hg3 s LYS 3 Cb 0.00 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1hg3 s LYS 3 CO 0.00 -0.25 0.40 -0.51 -0.92 0.00 0.00 175.35 174.07 1hg3 s LEU 4 N -2.42 4.22 -0.29 3.17 1.43 -1.26 -5.02 118.68 118.51 1hg3 s LEU 4 Ca -0.01 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1hg3 s LEU 4 Cb 0.01 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 1hg3 s LEU 4 CO -0.07 -0.08 1.77 -0.75 0.23 0.00 0.00 176.35 177.45 1hg3 s LYS 5 N -3.60 3.45 0.00 1.70 2.20 -1.26 -4.88 119.74 117.35 1hg3 s LYS 5 Ca 0.37 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 1hg3 s LYS 5 Cb -0.10 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 1hg3 s LYS 5 CO 0.30 -1.71 0.00 0.39 -0.36 0.00 0.00 175.35 173.97 1hg3 n GLU 6 N 8.25 0.00 -2.21 4.03 -0.58 -1.26 -4.30 120.64 124.57 1hg3 n GLU 6 Ca 0.22 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.54 1hg3 n GLU 6 Cb 0.46 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.31 1hg3 n GLU 6 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1hg3 s PRO 7 N -3.63 3.26 -0.04 3.49 0.02 -1.26 -4.49 135.00 132.35 1hg3 s PRO 7 Ca 0.00 0.87 0.05 0.00 0.02 0.00 0.00 61.00 61.93 1hg3 s PRO 7 Cb 0.00 -4.16 -0.02 0.00 0.02 0.00 0.00 34.50 30.33 1hg3 s PRO 7 CO 0.00 -1.96 -0.17 0.42 -0.33 0.00 0.00 177.00 174.96 1hg3 s ILE 8 N 6.65 2.84 -0.29 2.83 1.01 -0.11 -3.52 121.20 130.61 1hg3 s ILE 8 Ca 0.65 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1hg3 s ILE 8 Cb -0.15 -2.09 0.08 0.00 0.01 0.00 0.00 42.46 40.31 1hg3 s ILE 8 CO 0.29 0.58 0.01 -0.63 0.00 0.00 0.00 174.94 175.19 1hg3 s ILE 9 N -0.71 1.65 -0.29 2.92 -1.09 -0.77 0.75 121.20 123.66 1hg3 s ILE 9 Ca 0.11 -1.65 -0.08 0.00 -2.23 0.00 0.00 60.65 56.81 1hg3 s ILE 9 Cb -0.10 -2.08 -0.00 0.00 -1.58 0.00 0.00 42.46 38.69 1hg3 s ILE 9 CO 0.00 -0.39 0.10 0.00 -1.23 0.00 0.00 174.94 173.41 1hg3 s ALA 10 N 1.27 3.14 -0.33 9.38 0.00 0.65 0.15 121.76 136.01 1hg3 s ALA 10 Ca 0.03 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 1hg3 s ALA 10 Cb -0.19 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 1hg3 s ALA 10 CO -0.11 -0.81 0.36 0.42 0.00 0.00 0.00 175.76 175.62 1hg3 s ILE 11 N 1.56 5.17 -0.50 0.00 1.01 0.13 -1.50 121.20 127.07 1hg3 s ILE 11 Ca 0.04 0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 1hg3 s ILE 11 Cb -0.17 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.56 1hg3 s ILE 11 CO 0.04 -0.05 0.71 0.21 0.00 0.00 0.00 174.94 175.85 1hg3 s ASN 12 N 1.72 6.28 0.40 3.58 2.47 0.14 -1.09 114.94 128.45 1hg3 s ASN 12 Ca 0.12 -0.62 0.29 0.00 0.42 0.00 0.00 52.86 53.07 1hg3 s ASN 12 Cb -0.16 -2.34 1.33 0.00 -1.45 0.00 0.00 41.25 38.64 1hg3 s ASN 12 CO 0.11 -0.95 1.86 -0.26 -3.72 0.00 0.00 177.10 174.15 1hg3 h PHE 13 N 9.05 0.00 0.00 0.43 -1.00 -1.71 -3.39 116.94 120.31 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 -2.57 0.00 -0.72 1.51 5.02 -1.26 -2.84 118.16 117.30 1hg3 n LYS 14 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1hg3 n LYS 14 Cb 0.18 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.23 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 0.41 -2.06 -0.18 5.66 -1.26 -4.47 114.28 112.38 1hg3 n THR 15 Ca 0.00 -0.80 -0.41 0.00 -3.05 0.00 0.00 64.05 59.79 1hg3 n THR 15 Cb 0.00 0.48 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.61 3.01 0.51 1.09 2.02 -1.13 -4.91 117.35 117.32 1hg3 s TYR 16 Ca 0.16 1.23 0.19 0.00 -0.37 0.00 0.00 57.07 58.28 1hg3 s TYR 16 Cb 0.17 -3.76 1.31 0.00 -0.40 0.00 0.00 41.96 39.28 1hg3 s TYR 16 CO -0.05 -2.26 2.12 0.97 -1.57 0.00 0.00 175.55 174.76 1hg3 h ILE 17 N 3.26 0.92 0.00 2.71 6.09 -1.96 0.95 117.51 129.48 1hg3 h ILE 17 Ca -0.48 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.81 1hg3 h ILE 17 Cb 1.22 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.62 1hg3 h ILE 17 CO 0.71 0.05 0.00 -0.33 -3.07 0.00 0.00 178.15 175.51 1hg3 h GLU 18 N 0.00 0.00 -1.02 2.19 3.07 -1.91 -2.99 114.58 113.92 1hg3 h GLU 18 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 1hg3 h GLU 18 Cb 0.11 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.59 1hg3 h GLU 18 CO 0.01 0.00 -0.82 0.00 -1.40 0.00 0.00 179.01 176.80 1hg3 n ALA 19 N -1.93 4.84 -2.38 3.43 0.00 0.31 -4.09 120.51 120.68 1hg3 n ALA 19 Ca 0.02 -3.90 -0.30 0.00 0.00 0.00 0.00 53.44 49.26 1hg3 n ALA 19 Cb 0.31 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 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 -4.84 2.28 0.00 0.00 2.01 -1.08 -4.48 115.64 109.53 1hg3 s THR 20 Ca 0.48 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1hg3 s THR 20 Cb 0.40 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1hg3 s THR 20 CO -0.05 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1hg3 n GLY 21 N 1.52 2.05 0.37 4.40 0.00 -1.26 -0.91 105.19 111.36 1hg3 n GLY 21 Ca -0.17 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.92 0.00 1.61 1.57 -1.97 0.16 116.57 118.86 1hg3 h LYS 22 Ca 0.00 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1hg3 h LYS 22 Cb 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1hg3 h LYS 22 CO 0.00 0.61 -0.45 0.00 -0.57 0.00 0.00 179.45 179.03 1hg3 h ARG 23 N 0.94 0.00 -0.33 3.15 3.08 -1.44 -0.48 114.38 119.30 1hg3 h ARG 23 Ca 0.43 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.35 1hg3 h ARG 23 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1hg3 h ARG 23 CO -0.19 0.45 -0.29 0.00 -1.07 0.00 0.00 179.97 178.87 1hg3 h ALA 24 N 1.55 0.49 -0.73 0.04 0.00 0.11 -2.51 119.26 118.21 1hg3 h ALA 24 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1hg3 h ALA 24 Cb 0.87 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1hg3 h ALA 24 CO 0.06 0.51 0.43 1.25 0.00 0.00 0.00 179.25 181.50 1hg3 h LEU 25 N 0.57 0.88 -0.17 0.00 5.85 -0.17 -1.63 115.31 120.63 1hg3 h LEU 25 Ca 0.06 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1hg3 h LEU 25 Cb 0.87 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1hg3 h LEU 25 CO 0.08 0.69 0.06 -0.33 -0.34 0.00 0.00 178.44 178.60 1hg3 h GLU 26 N 1.01 0.15 -0.49 1.25 5.08 -0.78 -1.32 114.58 119.47 1hg3 h GLU 26 Ca 0.26 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1hg3 h GLU 26 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1hg3 h GLU 26 CO -0.05 0.10 -0.05 0.82 -1.00 0.00 0.00 179.01 178.83 1hg3 h ILE 27 N 0.15 1.25 -0.74 3.13 2.04 -1.02 -1.12 117.51 121.21 1hg3 h ILE 27 Ca 0.07 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1hg3 h ILE 27 Cb 0.04 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1hg3 h ILE 27 CO -0.07 0.39 0.26 0.00 0.00 0.00 0.00 178.15 178.73 1hg3 h ALA 28 N 1.17 1.07 -0.24 1.87 0.00 -1.05 0.15 119.26 122.22 1hg3 h ALA 28 Ca 0.14 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1hg3 h ALA 28 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1hg3 h ALA 28 CO 0.03 0.64 -0.41 0.87 0.00 0.00 0.00 179.25 180.39 1hg3 h LYS 29 N 1.08 0.57 -0.42 0.00 1.57 -0.95 0.99 116.57 119.42 1hg3 h LYS 29 Ca 0.24 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1hg3 h LYS 29 Cb 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1hg3 h LYS 29 CO -0.01 0.88 0.17 0.00 -0.57 0.00 0.00 179.45 179.92 1hg3 h ALA 30 N 1.08 0.54 -0.52 3.86 0.00 -0.62 -0.13 119.26 123.48 1hg3 h ALA 30 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1hg3 h ALA 30 Cb 0.91 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1hg3 h ALA 30 CO 0.08 0.13 0.26 0.00 0.00 0.00 0.00 179.25 179.73 1hg3 h ALA 31 N 1.02 0.67 -0.54 0.00 0.00 -0.34 -2.03 119.26 118.04 1hg3 h ALA 31 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1hg3 h ALA 31 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1hg3 h ALA 31 CO -0.01 0.22 0.14 1.49 0.00 0.00 0.00 179.25 181.09 1hg3 h GLU 32 N 0.69 0.81 0.41 0.00 4.81 -0.59 -1.74 114.58 118.97 1hg3 h GLU 32 Ca 0.18 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1hg3 h GLU 32 Cb 0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1hg3 h GLU 32 CO -0.03 0.72 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.56 1hg3 h LYS 33 N 0.79 -0.53 -0.27 1.92 3.64 -0.51 -0.29 116.57 121.32 1hg3 h LYS 33 Ca 0.18 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1hg3 h LYS 33 Cb 0.27 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1hg3 h LYS 33 CO -0.00 -0.31 0.20 0.28 -2.27 0.00 0.00 179.45 177.34 1hg3 h VAL 34 N -0.62 0.87 -0.10 2.00 2.07 -1.23 -1.59 116.25 117.66 1hg3 h VAL 34 Ca -0.06 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1hg3 h VAL 34 Cb 0.46 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1hg3 h VAL 34 CO 0.09 0.00 -0.11 0.22 0.02 0.00 0.00 177.57 177.80 1hg3 h TYR 35 N 0.01 0.29 -0.65 1.57 3.20 -0.64 -2.80 116.97 117.94 1hg3 h TYR 35 Ca 0.13 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1hg3 h TYR 35 Cb 0.51 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1hg3 h TYR 35 CO -0.00 0.68 0.43 0.87 -1.64 0.00 0.00 178.16 178.50 1hg3 h LYS 36 N -0.18 0.72 -0.83 1.82 1.57 -0.12 0.13 116.57 119.68 1hg3 h LYS 36 Ca 0.01 -0.04 -0.42 0.00 -1.87 0.00 0.00 60.65 58.33 1hg3 h LYS 36 Cb 0.63 -0.16 -0.25 0.00 0.08 0.00 0.00 32.23 32.53 1hg3 h LYS 36 CO 0.03 0.47 0.46 -0.85 -0.57 0.00 0.00 179.45 178.99 1hg3 n GLU 37 N -4.47 2.26 0.00 3.15 0.28 -0.85 -4.54 120.64 116.47 1hg3 n GLU 37 Ca 0.08 -3.06 0.00 0.00 -0.16 0.00 0.00 57.16 54.03 1hg3 n GLU 37 Cb 0.16 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 30.94 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 -1.07 0.00 0.00 3.84 -1.04 -0.92 -5.01 114.28 110.07 1hg3 n THR 38 Ca 0.52 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1hg3 n THR 38 Cb 1.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 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 -0.23 1.86 3.73 3.41 0.00 0.39 -5.02 105.19 109.33 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 -2.43 3.70 0.09 1.61 1.01 -1.26 -4.97 120.40 118.15 1hg3 s VAL 40 Ca 0.00 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 1hg3 s VAL 40 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1hg3 s VAL 40 CO 0.00 0.20 1.79 -0.89 0.00 0.00 0.00 175.10 176.20 1hg3 s THR 41 N 0.17 2.75 -0.28 3.92 2.01 -1.23 -4.67 115.64 118.31 1hg3 s THR 41 Ca 0.54 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.74 1hg3 s THR 41 Cb -0.32 -3.12 0.08 0.00 0.01 0.00 0.00 72.50 69.15 1hg3 s THR 41 CO 0.35 -0.00 0.00 -0.63 -0.69 0.00 0.00 174.62 173.65 1hg3 s ILE 42 N 2.92 1.60 0.06 1.82 -1.09 -1.26 -1.86 121.20 123.39 1hg3 s ILE 42 Ca 0.79 -1.55 -0.15 0.00 -2.23 0.00 0.00 60.65 57.51 1hg3 s ILE 42 Cb -0.44 -2.01 -0.06 0.00 -1.58 0.00 0.00 42.46 38.38 1hg3 s ILE 42 CO 0.36 -0.34 0.48 -0.69 -1.23 0.00 0.00 174.94 173.52 1hg3 s VAL 43 N 1.31 4.92 -0.06 2.92 1.01 0.12 -4.18 120.40 126.44 1hg3 s VAL 43 Ca 0.01 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.93 1hg3 s VAL 43 Cb -0.19 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1hg3 s VAL 43 CO -0.10 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.57 1hg3 s VAL 44 N -1.21 1.70 -0.51 2.92 1.01 -0.79 0.21 120.40 123.73 1hg3 s VAL 44 Ca 0.29 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1hg3 s VAL 44 Cb -0.17 -1.47 0.13 0.00 0.00 0.00 0.00 36.38 34.87 1hg3 s VAL 44 CO 0.17 0.48 0.25 0.00 0.00 0.00 0.00 175.10 176.00 1hg3 s ALA 45 N 0.15 3.23 0.72 5.51 0.00 -0.25 -0.07 121.76 131.05 1hg3 s ALA 45 Ca -0.09 -3.21 -0.11 0.00 0.00 0.00 0.00 51.96 48.54 1hg3 s ALA 45 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.86 1hg3 s ALA 45 CO 0.04 -2.01 1.10 -2.14 0.00 0.00 0.00 175.76 172.75 1hg3 s PRO 46 N -0.21 2.76 0.39 0.00 0.02 -1.21 -2.06 135.00 134.68 1hg3 s PRO 46 Ca 0.17 0.49 -0.27 0.00 0.02 0.00 0.00 61.00 61.40 1hg3 s PRO 46 Cb -0.26 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.16 1hg3 s PRO 46 CO -0.00 -1.11 1.39 -0.65 -0.33 0.00 0.00 177.00 176.29 1hg3 s GLN 47 N -5.33 4.04 0.29 5.54 -0.21 -1.26 -4.25 119.66 118.48 1hg3 s GLN 47 Ca 0.59 2.36 0.04 0.00 0.02 0.00 0.00 55.36 58.36 1hg3 s GLN 47 Cb -0.11 -2.88 0.73 0.00 1.00 0.00 0.00 33.01 31.75 1hg3 s GLN 47 CO 0.52 -0.50 1.70 1.25 -2.12 0.00 0.00 175.29 176.14 1hg3 h LEU 48 N 2.87 0.33 -0.23 2.90 5.85 -1.95 0.34 115.31 125.42 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 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1hg3 h LEU 48 CO 0.63 -0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.28 1hg3 n VAL 49 N -5.04 1.62 0.08 1.05 3.14 -1.26 -1.99 118.33 115.93 1hg3 n VAL 49 Ca 0.22 0.47 0.01 0.00 -2.96 0.00 0.00 64.34 62.08 1hg3 n VAL 49 Cb 0.65 -1.42 -0.01 0.00 -1.06 0.00 0.00 33.84 32.01 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 -1.64 0.38 -0.11 6.55 8.00 0.11 -4.83 116.55 125.01 1hg3 n ASP 50 Ca 0.01 -0.69 -0.05 0.00 0.71 0.00 0.00 54.79 54.77 1hg3 n ASP 50 Cb 0.05 0.73 0.01 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.11 -0.32 0.06 0.64 6.46 -0.68 -1.99 115.31 119.59 1hg3 h LEU 51 Ca 0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1hg3 h LEU 51 Cb 0.05 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1hg3 h LEU 51 CO 0.00 -0.11 -0.07 -0.09 -0.62 0.00 0.00 178.44 177.55 1hg3 h ARG 52 N 0.02 -0.15 -0.68 1.25 2.43 -1.79 0.11 114.38 115.58 1hg3 h ARG 52 Ca 0.19 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.48 1hg3 h ARG 52 Cb 0.28 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 1hg3 h ARG 52 CO -0.38 -0.10 0.27 1.98 -1.51 0.00 0.00 179.97 180.23 1hg3 h MET 53 N -0.16 0.44 -0.28 0.20 4.05 -1.84 0.57 114.93 117.92 1hg3 h MET 53 Ca 0.01 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 1hg3 h MET 53 Cb 0.16 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1hg3 h MET 53 CO -0.03 0.29 -0.08 0.82 0.23 0.00 0.00 176.91 178.15 1hg3 h ILE 54 N 0.46 1.28 0.00 1.77 2.04 -1.05 -2.94 117.51 119.08 1hg3 h ILE 54 Ca 0.35 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1hg3 h ILE 54 Cb 0.46 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1hg3 h ILE 54 CO -0.33 0.35 -0.18 0.00 0.00 0.00 0.00 178.15 177.99 1hg3 h ALA 55 N 0.77 1.68 0.00 1.87 0.00 -0.16 -2.47 119.26 120.95 1hg3 h ALA 55 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1hg3 h ALA 55 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1hg3 h ALA 55 CO 0.03 0.22 -0.09 0.39 0.00 0.00 0.00 179.25 179.80 1hg3 n GLU 56 N -4.28 0.17 -0.11 0.00 1.02 0.14 -3.94 120.64 113.63 1hg3 n GLU 56 Ca -0.02 0.12 0.07 0.00 -0.02 0.00 0.00 57.16 57.31 1hg3 n GLU 56 Cb 0.24 -1.68 0.09 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.96 1.94 -3.77 1.62 3.41 -0.95 -5.03 113.62 108.87 1hg3 n SER 57 Ca 0.06 -2.71 -0.13 0.00 -0.26 0.00 0.00 58.87 55.83 1hg3 n SER 57 Cb 0.40 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.12 0.03 0.06 -3.33 1.01 -1.07 -4.95 120.40 110.02 1hg3 s VAL 58 Ca 0.22 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1hg3 s VAL 58 Cb 0.19 -0.50 -0.24 0.00 0.00 0.00 0.00 36.38 35.83 1hg3 s VAL 58 CO 0.02 -0.12 1.06 -0.33 0.00 0.00 0.00 175.10 175.74 1hg3 h GLU 59 N 4.94 0.10 -7.25 2.72 5.08 -1.90 -3.45 114.58 114.82 1hg3 h GLU 59 Ca -0.28 -0.17 -0.52 0.00 -1.00 0.00 0.00 59.36 57.39 1hg3 h GLU 59 Cb 1.18 0.06 0.19 0.00 0.50 0.00 0.00 28.75 30.69 1hg3 h GLU 59 CO 0.35 0.97 0.26 0.96 -1.00 0.00 0.00 179.01 180.56 1hg3 s ILE 60 N -2.66 2.10 0.25 3.13 -4.36 -1.26 -4.92 121.20 113.48 1hg3 s ILE 60 Ca -0.03 0.04 -0.31 0.00 -0.26 0.00 0.00 60.65 60.09 1hg3 s ILE 60 Cb 0.08 -2.19 -0.11 0.00 1.25 0.00 0.00 42.46 41.49 1hg3 s ILE 60 CO 0.84 -0.04 1.60 -2.84 0.24 0.00 0.00 174.94 174.74 1hg3 s PRO 61 N -4.49 4.15 -0.22 0.37 0.02 -1.26 -4.93 135.00 128.64 1hg3 s PRO 61 Ca 0.69 2.52 -0.01 0.00 0.02 0.00 0.00 61.00 64.22 1hg3 s PRO 61 Cb -0.24 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1hg3 s PRO 61 CO 0.55 -0.63 -0.10 0.08 -0.33 0.00 0.00 177.00 176.57 1hg3 s VAL 62 N 0.39 2.76 0.05 3.83 1.01 -1.26 -1.89 120.40 125.28 1hg3 s VAL 62 Ca 0.66 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1hg3 s VAL 62 Cb -0.47 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1hg3 s VAL 62 CO 0.42 0.38 0.09 -0.36 0.00 0.00 0.00 175.10 175.63 1hg3 s PHE 63 N 1.36 3.26 0.66 5.22 0.40 0.89 -0.97 117.98 128.80 1hg3 s PHE 63 Ca 0.04 0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.41 1hg3 s PHE 63 Cb -0.15 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1hg3 s PHE 63 CO -0.07 0.54 1.02 0.00 0.70 0.00 0.00 175.22 177.41 1hg3 s ALA 64 N -1.33 3.05 -0.84 5.36 0.00 -0.43 -3.32 121.76 124.25 1hg3 s ALA 64 Ca 0.27 -0.45 0.24 0.00 0.00 0.00 0.00 51.96 52.02 1hg3 s ALA 64 Cb -0.12 -2.88 0.33 0.00 0.00 0.00 0.00 23.12 20.45 1hg3 s ALA 64 CO 0.19 -0.99 1.28 1.04 0.00 0.00 0.00 175.76 177.29 1hg3 n GLN 65 N -2.84 0.12 -3.65 0.00 6.02 -1.26 -1.18 117.38 114.59 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 -4.29 115.29 112.83 1hg3 s HIS 66 Ca 0.08 0.04 -0.04 0.00 -1.54 0.00 0.00 55.06 53.60 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 0.00 174.74 174.13 1hg3 s ILE 67 N -1.07 0.11 0.21 0.89 -4.36 -1.26 -4.95 121.20 110.77 1hg3 s ILE 67 Ca 0.09 -0.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.57 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 -0.08 -0.52 0.36 -1.81 0.24 0.00 0.00 174.94 173.13 1hg3 s ASP 68 N -1.70 6.34 0.00 4.36 1.01 -0.89 -4.96 116.67 120.83 1hg3 s ASP 68 Ca -0.11 0.21 -0.04 0.00 0.71 0.00 0.00 52.55 53.32 1hg3 s ASP 68 Cb -0.06 -1.93 -0.17 0.00 1.01 0.00 0.00 42.92 41.77 1hg3 s ASP 68 CO -0.02 -0.04 2.85 -2.65 0.21 0.00 0.00 175.17 175.52 1hg3 n PRO 69 N -0.96 1.52 -4.14 8.23 -0.02 -1.26 -4.53 135.00 133.84 1hg3 n PRO 69 Ca -0.07 -0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 60.55 1hg3 n PRO 69 Cb 0.55 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.95 3.76 0.26 4.25 -4.36 -1.26 -4.90 121.20 119.90 1hg3 s ILE 70 Ca 0.43 -1.62 0.08 0.00 -0.26 0.00 0.00 60.65 59.28 1hg3 s ILE 70 Cb 0.20 -3.12 -0.04 0.00 1.25 0.00 0.00 42.46 40.76 1hg3 s ILE 70 CO 0.00 -0.31 0.13 -0.54 0.24 0.00 0.00 174.94 174.46 1hg3 s LYS 71 N -3.81 2.69 0.26 0.37 -0.14 -1.26 -4.55 119.74 113.31 1hg3 s LYS 71 Ca 0.34 -1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 53.45 1hg3 s LYS 71 Cb -0.06 -2.41 -0.13 0.00 -1.68 0.00 0.00 37.83 33.54 1hg3 s LYS 71 CO 0.23 0.37 1.30 -2.30 -0.76 0.00 0.00 175.35 174.19 1hg3 n PRO 72 N -1.09 1.86 0.00 -1.68 -0.02 -1.26 -4.76 135.00 128.06 1hg3 n PRO 72 Ca -0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1hg3 n PRO 72 Cb 0.58 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.68 -0.47 3.39 -1.23 0.00 -1.26 -5.05 105.19 102.24 1hg3 n GLY 73 Ca 0.10 -0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.38 1.61 0.01 -1.26 -4.84 113.70 111.74 1hg3 s SER 74 Ca 0.00 -2.77 0.10 0.00 1.31 0.00 0.00 55.95 54.58 1hg3 s SER 74 Cb 0.00 -2.29 0.30 0.00 0.21 0.00 0.00 66.02 64.23 1hg3 s SER 74 CO 0.00 -0.67 0.63 1.41 0.41 0.00 0.00 173.24 175.02 1hg3 n HIS 75 N 4.65 -0.21 -1.63 2.43 -0.00 -1.26 -5.11 115.22 114.10 1hg3 n HIS 75 Ca 0.23 -3.63 -0.52 0.00 -0.00 0.00 0.00 57.72 53.80 1hg3 n HIS 75 Cb 0.45 -0.32 -0.06 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 0.89 0.08 -0.96 1.59 -1.04 -1.26 -1.25 114.28 112.33 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 0.59 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 0.89 3.94 3.41 0.00 -1.26 -5.02 105.19 110.19 1hg3 n GLY 77 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.66 3.49 -0.51 1.61 4.02 -0.38 -5.05 115.29 114.80 1hg3 s HIS 78 Ca 0.00 0.29 -0.20 0.00 1.02 0.00 0.00 55.06 56.16 1hg3 s HIS 78 Cb 0.00 -1.83 0.05 0.00 -1.02 0.00 0.00 32.58 29.78 1hg3 s HIS 78 CO 0.00 0.22 0.70 0.08 1.02 0.00 0.00 174.74 176.75 1hg3 s VAL 79 N -2.19 4.76 -0.11 -0.90 1.01 -1.26 -5.01 120.40 116.69 1hg3 s VAL 79 Ca 0.39 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1hg3 s VAL 79 Cb -0.10 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1hg3 s VAL 79 CO 0.34 -0.85 1.19 -0.22 0.00 0.00 0.00 175.10 175.56 1hg3 s LEU 80 N 2.95 4.23 0.18 3.92 2.96 -1.26 -2.10 118.68 129.55 1hg3 s LEU 80 Ca 0.19 1.71 -0.15 0.00 -0.22 0.00 0.00 54.13 55.67 1hg3 s LEU 80 Cb -0.17 -3.55 0.15 0.00 0.50 0.00 0.00 46.19 43.12 1hg3 s LEU 80 CO 0.14 -0.64 1.70 -0.65 -1.32 0.00 0.00 176.35 175.59 1hg3 h PRO 81 N 7.68 0.15 0.00 0.98 0.11 -1.80 -1.88 132.00 137.25 1hg3 h PRO 81 Ca -0.30 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 1hg3 h PRO 81 Cb 1.13 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1hg3 h PRO 81 CO 0.92 0.10 -0.28 1.05 -0.21 0.00 0.00 178.00 179.57 1hg3 h GLU 82 N 0.15 0.00 -0.38 1.05 9.09 -1.93 -1.07 114.58 121.50 1hg3 h GLU 82 Ca 0.22 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.57 1hg3 h GLU 82 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 1hg3 h GLU 82 CO -0.33 0.28 0.02 0.00 0.05 0.00 0.00 179.01 179.03 1hg3 h ALA 83 N 1.72 0.52 -0.51 1.06 0.00 -1.77 0.22 119.26 120.49 1hg3 h ALA 83 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1hg3 h ALA 83 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1hg3 h ALA 83 CO 0.04 0.27 0.13 0.28 0.00 0.00 0.00 179.25 179.97 1hg3 h VAL 84 N 0.50 1.21 -0.06 0.00 2.07 -0.97 -1.73 116.25 117.26 1hg3 h VAL 84 Ca 0.11 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1hg3 h VAL 84 Cb 0.44 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1hg3 h VAL 84 CO 0.02 0.28 -0.02 0.50 0.02 0.00 0.00 177.57 178.37 1hg3 h LYS 85 N 0.75 0.12 0.00 1.57 1.63 -0.71 -2.79 116.57 117.14 1hg3 h LYS 85 Ca 0.17 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1hg3 h LYS 85 Cb 0.27 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1hg3 h LYS 85 CO -0.00 0.48 -0.10 1.49 -3.45 0.00 0.00 179.45 177.86 1hg3 h GLU 86 N -0.24 0.00 0.00 1.90 4.81 -0.36 -1.47 114.58 119.23 1hg3 h GLU 86 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1hg3 h GLU 86 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 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 -2.31 1.93 0.00 2.92 0.00 -0.67 -4.90 120.51 117.49 1hg3 n ALA 87 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1hg3 n ALA 87 Cb 0.20 -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 0.47 0.61 3.76 0.00 0.00 -0.55 -4.19 105.19 105.29 1hg3 n GLY 88 Ca 0.06 0.00 -0.35 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 2.56 -0.29 4.61 0.00 -1.13 -4.74 121.76 120.77 1hg3 s ALA 89 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.85 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 -1.09 0.74 1.33 0.00 0.00 0.00 175.76 176.74 1hg3 n VAL 90 N -1.69 0.33 -3.93 0.00 0.24 -0.14 -4.73 118.33 108.41 1hg3 n VAL 90 Ca 0.12 -0.67 -0.02 0.00 -2.04 0.00 0.00 64.34 61.74 1hg3 n VAL 90 Cb 0.50 0.87 0.02 0.00 -1.47 0.00 0.00 33.84 33.76 1hg3 n VAL 90 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1hg3 s GLY 91 N -0.48 0.08 -0.05 7.63 0.00 -1.24 -1.46 107.32 111.79 1hg3 s GLY 91 Ca 0.04 -0.29 -0.23 0.00 0.00 0.00 0.00 44.72 44.24 1hg3 s GLY 91 CO 0.03 3.65 0.52 -1.08 0.00 0.00 0.00 173.10 176.22 1hg3 s THR 92 N -2.04 0.02 0.33 0.90 -1.32 0.56 -1.31 115.64 112.78 1hg3 s THR 92 Ca 0.25 -0.19 -0.10 0.00 -1.21 0.00 0.00 61.69 60.43 1hg3 s THR 92 Cb -0.02 -0.82 -0.07 0.00 -1.51 0.00 0.00 72.50 70.08 1hg3 s THR 92 CO 0.04 -0.11 0.68 -0.76 -2.21 0.00 0.00 174.62 172.26 1hg3 s LEU 93 N -1.10 3.99 0.01 9.08 1.43 -0.33 -1.35 118.68 130.41 1hg3 s LEU 93 Ca -0.11 1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.95 1hg3 s LEU 93 Cb -0.03 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1hg3 s LEU 93 CO 0.07 -0.26 0.18 -0.76 0.23 0.00 0.00 176.35 175.81 1hg3 s LEU 94 N -3.41 1.38 -1.52 1.79 1.43 -0.45 -3.33 118.68 114.57 1hg3 s LEU 94 Ca 0.50 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 1hg3 s LEU 94 Cb -0.11 0.85 0.08 0.00 0.03 0.00 0.00 46.19 47.05 1hg3 s LEU 94 CO 0.26 -0.43 0.96 -3.20 0.23 0.00 0.00 176.35 174.17 1hg3 n ASN 95 N 1.24 -4.54 -4.77 2.29 5.15 -1.26 -0.27 115.26 113.09 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 -3.87 0.01 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 -3.33 2.64 0.40 1.20 5.65 -1.25 -4.06 115.29 116.53 1hg3 s HIS 96 Ca 0.62 1.54 0.19 0.00 0.25 0.00 0.00 55.06 57.67 1hg3 s HIS 96 Cb -0.31 -3.29 1.13 0.00 -1.18 0.00 0.00 32.58 28.93 1hg3 s HIS 96 CO 0.83 -1.65 1.75 1.03 -0.65 0.00 0.00 174.74 176.05 1hg3 h SER 97 N 0.98 0.44 -0.03 9.88 0.87 -1.92 0.38 113.55 124.15 1hg3 h SER 97 Ca -0.50 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 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 0.56 0.05 0.00 -0.62 -0.53 0.00 0.00 176.83 176.29 1hg3 n GLU 98 N -4.66 1.29 -2.77 2.24 1.02 -1.26 -4.15 120.64 112.36 1hg3 n GLU 98 Ca 0.27 -0.43 -0.10 0.00 -0.02 0.00 0.00 57.16 56.88 1hg3 n GLU 98 Cb 0.93 -1.43 0.08 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.42 -1.65 -4.76 1.62 5.15 0.13 -5.13 115.26 110.19 1hg3 n ASN 99 Ca 0.19 -3.25 -0.39 0.00 -0.60 0.00 0.00 54.58 50.53 1hg3 n ASN 99 Cb 0.20 1.26 0.03 0.00 -0.53 0.00 0.00 39.78 40.74 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 -0.25 3.44 0.32 1.20 0.52 -0.82 -3.80 118.95 119.55 1hg3 s ARG 100 Ca 0.24 2.25 0.08 0.00 -0.52 0.00 0.00 55.73 57.79 1hg3 s ARG 100 Cb 0.33 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1hg3 s ARG 100 CO -0.06 -0.96 0.14 -1.64 0.02 0.00 0.00 175.30 172.80 1hg3 s MET 101 N -2.68 2.45 -0.03 3.54 -1.94 -1.26 -4.98 119.30 114.40 1hg3 s MET 101 Ca 0.66 -1.45 -0.27 0.00 -1.71 0.00 0.00 55.69 52.92 1hg3 s MET 101 Cb -0.40 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 1hg3 s MET 101 CO 0.50 0.18 0.86 0.42 -0.01 0.00 0.00 175.02 176.97 1hg3 s ILE 102 N -2.37 4.94 0.21 2.53 1.01 -1.26 -4.90 121.20 121.36 1hg3 s ILE 102 Ca 0.36 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.69 1hg3 s ILE 102 Cb -0.04 -4.20 0.26 0.00 0.01 0.00 0.00 42.46 38.49 1hg3 s ILE 102 CO 0.23 0.20 1.32 -0.11 0.00 0.00 0.00 174.94 176.58 1hg3 n LEU 103 N 3.83 -0.47 -0.28 2.97 7.94 -1.26 -0.12 117.00 129.60 1hg3 n LEU 103 Ca 0.03 1.47 -0.02 0.00 -1.11 0.00 0.00 56.01 56.38 1hg3 n LEU 103 Cb 0.51 -0.37 0.09 0.00 0.53 0.00 0.00 43.42 44.19 1hg3 n LEU 103 CO 0.50 -1.35 1.18 0.00 -1.11 0.00 0.00 177.39 176.61 1hg3 h ALA 104 N 1.33 1.03 -0.74 1.96 0.00 -2.01 -2.08 119.26 118.76 1hg3 h ALA 104 Ca 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1hg3 h ALA 104 Cb 0.54 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1hg3 h ALA 104 CO -0.85 0.31 0.25 -0.44 0.00 0.00 0.00 179.25 178.51 1hg3 h ASP 105 N 0.97 1.05 0.15 0.00 3.32 -0.91 -2.39 116.42 118.61 1hg3 h ASP 105 Ca 0.31 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1hg3 h ASP 105 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1hg3 h ASP 105 CO -0.11 0.97 -0.14 0.25 -1.72 0.00 0.00 179.24 178.48 1hg3 h LEU 106 N 1.09 -0.37 -1.00 1.55 6.46 -0.55 0.31 115.31 122.81 1hg3 h LEU 106 Ca 0.24 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1hg3 h LEU 106 Cb 0.28 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1hg3 h LEU 106 CO -0.01 -0.22 -0.30 1.05 -0.62 0.00 0.00 178.44 178.34 1hg3 h GLU 107 N -0.31 0.00 -0.21 1.25 -0.00 -1.46 -0.81 114.58 113.04 1hg3 h GLU 107 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.17 1hg3 h GLU 107 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 1hg3 h GLU 107 CO -0.03 0.30 -0.64 0.00 -0.00 0.00 0.00 179.01 178.64 1hg3 h ALA 108 N 1.70 0.46 -0.46 1.06 0.00 -1.05 -2.08 119.26 118.89 1hg3 h ALA 108 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1hg3 h ALA 108 Cb 0.83 -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 -0.10 0.00 0.00 0.00 0.00 179.25 179.88 1hg3 h ALA 109 N 0.71 0.96 -0.22 0.00 0.00 0.07 0.24 119.26 121.02 1hg3 h ALA 109 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1hg3 h ALA 109 Cb 1.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1hg3 h ALA 109 CO 0.13 0.62 0.06 0.82 0.00 0.00 0.00 179.25 180.87 1hg3 h ILE 110 N 0.76 1.21 -0.37 0.00 2.04 -1.09 0.92 117.51 120.97 1hg3 h ILE 110 Ca 0.13 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1hg3 h ILE 110 Cb 0.59 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1hg3 h ILE 110 CO 0.04 0.21 0.24 0.03 0.00 0.00 0.00 178.15 178.67 1hg3 h ARG 111 N 0.18 0.49 -0.88 2.37 2.47 -1.13 -1.85 114.38 116.03 1hg3 h ARG 111 Ca 0.07 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.85 1hg3 h ARG 111 Cb 0.27 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.41 1hg3 h ARG 111 CO 0.00 0.34 0.53 -0.09 0.56 0.00 0.00 179.97 181.31 1hg3 h ARG 112 N 0.49 0.88 -0.21 0.04 9.65 -0.27 -1.27 114.38 123.70 1hg3 h ARG 112 Ca 0.13 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.87 1hg3 h ARG 112 Cb -0.04 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 1hg3 h ARG 112 CO -0.03 0.58 -0.25 0.00 2.80 0.00 0.00 179.97 183.08 1hg3 h ALA 113 N 1.46 1.19 -0.18 2.80 0.00 -0.29 -2.70 119.26 121.54 1hg3 h ALA 113 Ca 0.41 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1hg3 h ALA 113 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hg3 h ALA 113 CO -0.23 0.52 -0.15 0.93 0.00 0.00 0.00 179.25 180.33 1hg3 h GLU 114 N 0.35 0.43 -0.85 0.00 5.08 -0.46 0.80 114.58 119.93 1hg3 h GLU 114 Ca 0.05 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1hg3 h GLU 114 Cb 0.63 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1hg3 h GLU 114 CO 0.04 0.77 0.55 0.93 -1.00 0.00 0.00 179.01 180.30 1hg3 h GLU 115 N 0.09 0.84 0.00 2.33 5.08 -1.21 -0.76 114.58 120.95 1hg3 h GLU 115 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1hg3 h GLU 115 Cb 0.67 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1hg3 h GLU 115 CO 0.04 0.56 -0.46 0.28 -1.00 0.00 0.00 179.01 178.42 1hg3 n VAL 116 N -4.51 0.03 -2.02 3.13 0.31 -1.03 -4.97 118.33 109.27 1hg3 n VAL 116 Ca 0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1hg3 n VAL 116 Cb 0.27 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 1.49 0.75 3.51 2.92 0.00 0.18 -4.99 105.19 109.06 1hg3 n GLY 117 Ca 0.05 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.45 3.26 0.65 0.99 1.43 0.25 -4.83 118.68 119.98 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 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 1hg3 s LEU 118 CO 0.00 0.20 1.14 -0.04 0.23 0.00 0.00 176.35 177.88 1hg3 s MET 119 N 0.19 2.77 -0.08 1.70 -1.94 -0.54 -4.26 119.30 117.14 1hg3 s MET 119 Ca -0.02 1.54 0.05 0.00 -1.71 0.00 0.00 55.69 55.54 1hg3 s MET 119 Cb -0.14 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 1hg3 s MET 119 CO 0.03 -1.30 -0.23 0.95 -0.01 0.00 0.00 175.02 174.46 1hg3 s THR 120 N -2.12 2.16 -0.38 2.05 -4.23 -1.26 -0.32 115.64 111.55 1hg3 s THR 120 Ca 0.70 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1hg3 s THR 120 Cb -0.24 -1.81 0.11 0.00 1.34 0.00 0.00 72.50 71.91 1hg3 s THR 120 CO 0.39 0.56 0.14 -0.32 -0.54 0.00 0.00 174.62 174.86 1hg3 s MET 121 N 0.07 1.23 -0.13 3.99 0.00 -0.46 -0.90 119.30 123.10 1hg3 s MET 121 Ca -0.10 -1.73 -0.18 0.00 0.00 0.00 0.00 55.69 53.68 1hg3 s MET 121 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 34.83 32.05 1hg3 s MET 121 CO 0.06 -1.03 0.47 0.08 0.00 0.00 0.00 175.02 174.59 1hg3 s VAL 122 N 0.85 5.19 0.31 10.11 1.01 0.12 -1.34 120.40 136.66 1hg3 s VAL 122 Ca 0.13 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.86 1hg3 s VAL 122 Cb -0.21 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1hg3 s VAL 122 CO -0.11 0.31 0.76 0.00 0.00 0.00 0.00 175.10 176.06 1hg3 s SER 124 N -2.12 1.27 -0.01 0.00 1.04 0.32 -4.71 113.70 109.49 1hg3 s SER 124 Ca 0.52 -0.81 0.18 0.00 0.48 0.00 0.00 55.95 56.32 1hg3 s SER 124 Cb -0.12 0.03 -0.23 0.00 0.10 0.00 0.00 66.02 65.81 1hg3 s SER 124 CO 0.18 -0.30 0.60 -0.46 0.98 0.00 0.00 173.24 174.23 1hg3 n ASN 125 N 0.57 0.83 -3.74 7.02 6.94 -1.26 -1.35 115.26 124.27 1hg3 n ASN 125 Ca -0.16 -0.51 -0.07 0.00 -0.02 0.00 0.00 54.58 53.82 1hg3 n ASN 125 Cb 0.58 1.37 -0.02 0.00 -2.36 0.00 0.00 39.78 39.36 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 -3.31 -0.21 0.16 0.53 6.03 -1.26 -4.36 114.94 112.51 1hg3 s ASN 126 Ca 0.01 -0.70 -0.17 0.00 -1.03 0.00 0.00 52.86 50.97 1hg3 s ASN 126 Cb 0.13 0.74 0.07 0.00 -3.03 0.00 0.00 41.25 39.16 1hg3 s ASN 126 CO 0.74 -1.39 1.69 -0.65 -2.03 0.00 0.00 177.10 175.47 1hg3 h PRO 127 N 2.01 0.05 -0.32 3.55 0.11 -1.94 0.47 132.00 135.94 1hg3 h PRO 127 Ca -0.21 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.94 1hg3 h PRO 127 Cb 1.25 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1hg3 h PRO 127 CO 0.26 0.03 0.05 0.00 -0.21 0.00 0.00 178.00 178.14 1hg3 h ALA 128 N 1.32 0.32 -0.62 -0.75 0.00 -1.97 0.73 119.26 118.29 1hg3 h ALA 128 Ca 0.17 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1hg3 h ALA 128 Cb 0.24 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1hg3 h ALA 128 CO -0.31 -0.36 0.21 0.28 0.00 0.00 0.00 179.25 179.07 1hg3 h VAL 129 N 0.16 1.23 -0.94 0.00 2.07 -1.91 -1.63 116.25 115.23 1hg3 h VAL 129 Ca 0.15 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1hg3 h VAL 129 Cb 0.17 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1hg3 h VAL 129 CO -0.20 0.30 0.62 0.28 0.02 0.00 0.00 177.57 178.59 1hg3 h SER 130 N 0.91 1.03 -0.38 0.57 0.02 0.38 0.11 113.55 116.18 1hg3 h SER 130 Ca 0.21 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1hg3 h SER 130 Cb 0.24 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1hg3 h SER 130 CO -0.01 0.71 -0.04 0.00 -1.14 0.00 0.00 176.83 176.34 1hg3 h ALA 131 N 1.45 0.52 -0.56 3.77 0.00 -0.09 -1.44 119.26 122.91 1hg3 h ALA 131 Ca 0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hg3 h ALA 131 Cb -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1hg3 h ALA 131 CO -0.11 0.34 0.34 0.00 0.00 0.00 0.00 179.25 179.81 1hg3 h ALA 132 N 0.86 0.71 -0.86 0.00 0.00 -0.57 -1.91 119.26 117.48 1hg3 h ALA 132 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hg3 h ALA 132 Cb 0.54 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1hg3 h ALA 132 CO 0.03 0.20 0.53 0.28 0.00 0.00 0.00 179.25 180.29 1hg3 h VAL 133 N 0.75 1.23 -0.92 0.00 2.07 -0.66 -2.56 116.25 116.17 1hg3 h VAL 133 Ca 0.20 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1hg3 h VAL 133 Cb -0.01 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 1hg3 h VAL 133 CO -0.04 0.24 0.61 0.00 0.02 0.00 0.00 177.57 178.40 1hg3 h ALA 134 N 1.29 1.18 0.00 1.67 0.00 -0.70 -1.12 119.26 121.59 1hg3 h ALA 134 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1hg3 h ALA 134 Cb -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.36 1hg3 h ALA 134 CO -0.06 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1hg3 h ALA 135 N 1.35 1.00 -0.01 0.00 0.00 -0.93 0.13 119.26 120.80 1hg3 h ALA 135 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1hg3 h ALA 135 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1hg3 h ALA 135 CO -0.09 0.00 -0.09 1.28 0.00 0.00 0.00 179.25 180.35 1hg3 n LEU 136 N -2.39 0.88 -3.53 0.00 4.77 -0.42 -4.98 117.00 111.32 1hg3 n LEU 136 Ca -0.00 -0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 55.55 1hg3 n LEU 136 Cb 0.12 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1hg3 n LEU 136 CO 0.15 0.15 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.16 1hg3 n ASN 137 N -0.51 -3.26 -4.37 -1.43 5.15 0.47 -4.96 115.26 106.34 1hg3 n ASN 137 Ca 0.17 -0.78 -0.28 0.00 -0.60 0.00 0.00 54.58 53.09 1hg3 n ASN 137 Cb 0.30 -4.46 0.15 0.00 -0.53 0.00 0.00 39.78 35.24 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 -5.47 1.08 -0.06 1.20 0.02 -1.26 -5.00 135.00 125.51 1hg3 s PRO 138 Ca 0.18 -0.58 -0.25 0.00 0.02 0.00 0.00 61.00 60.37 1hg3 s PRO 138 Cb -0.04 -2.01 -0.23 0.00 0.02 0.00 0.00 34.50 32.24 1hg3 s PRO 138 CO 0.78 -2.04 1.02 -0.44 -0.33 0.00 0.00 177.00 176.00 1hg3 h ASP 139 N -1.24 0.19 -4.63 2.53 3.32 -1.87 -3.42 116.42 111.29 1hg3 h ASP 139 Ca -0.42 -0.78 -0.33 0.00 0.02 0.00 0.00 57.03 55.53 1hg3 h ASP 139 Cb 1.25 -0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 1hg3 h ASP 139 CO 0.41 0.94 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.81 1hg3 s TYR 140 N -3.12 0.85 -0.11 4.55 2.02 -0.08 -1.99 117.35 119.48 1hg3 s TYR 140 Ca -0.16 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1hg3 s TYR 140 Cb 0.01 -0.50 0.01 0.00 -0.40 0.00 0.00 41.96 41.07 1hg3 s TYR 140 CO 0.73 -0.03 -0.21 0.54 -1.57 0.00 0.00 175.55 175.01 1hg3 s VAL 141 N -1.29 1.85 -0.31 0.71 0.11 -0.08 0.15 120.40 121.53 1hg3 s VAL 141 Ca -0.07 -0.88 -0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1hg3 s VAL 141 Cb -0.10 -1.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1hg3 s VAL 141 CO 0.01 0.51 0.05 0.00 -3.33 0.00 0.00 175.10 172.34 1hg3 s ALA 142 N 0.60 2.93 -0.18 1.54 0.00 0.21 -1.42 121.76 125.45 1hg3 s ALA 142 Ca -0.14 -1.70 -0.28 0.00 0.00 0.00 0.00 51.96 49.84 1hg3 s ALA 142 Cb -0.17 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1hg3 s ALA 142 CO 0.04 -1.23 0.99 0.08 0.00 0.00 0.00 175.76 175.64 1hg3 s VAL 143 N 1.35 4.75 -0.22 0.00 1.01 -0.68 -0.52 120.40 126.10 1hg3 s VAL 143 Ca -0.02 1.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.87 1hg3 s VAL 143 Cb -0.19 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 32.00 1hg3 s VAL 143 CO 0.01 -0.08 0.19 -1.61 0.00 0.00 0.00 175.10 173.62 1hg3 s GLU 144 N 2.59 0.18 0.06 2.72 2.02 -0.45 -0.68 118.70 125.14 1hg3 s GLU 144 Ca 0.44 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.15 1hg3 s GLU 144 Cb -0.16 -1.26 -0.09 0.00 0.10 0.00 0.00 34.13 32.72 1hg3 s GLU 144 CO 0.11 -0.75 1.83 -2.14 0.02 0.00 0.00 175.26 174.34 1hg3 s PRO 145 N 2.27 4.15 0.41 0.39 0.02 -1.26 -4.47 135.00 136.51 1hg3 s PRO 145 Ca 0.06 2.51 0.07 0.00 0.02 0.00 0.00 61.00 63.66 1hg3 s PRO 145 Cb -0.16 -3.85 0.86 0.00 0.02 0.00 0.00 34.50 31.37 1hg3 s PRO 145 CO -0.17 -0.87 2.06 -1.35 -0.33 0.00 0.00 177.00 176.35 1hg3 h PRO 146 N 9.39 0.55 0.00 5.54 0.11 -1.93 -2.27 132.00 143.39 1hg3 h PRO 146 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hg3 h PRO 146 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1hg3 h PRO 146 CO 0.94 0.36 0.00 0.39 -0.21 0.00 0.00 178.00 179.48 1hg3 n GLU 147 N -4.47 0.02 -0.00 1.05 4.71 -1.26 -2.11 120.64 118.57 1hg3 n GLU 147 Ca 0.03 0.37 0.04 0.00 -0.01 0.00 0.00 57.16 57.59 1hg3 n GLU 147 Cb 0.06 -1.55 -0.05 0.00 -1.01 0.00 0.00 31.44 28.89 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 0.22 -0.28 -4.62 4.77 -0.87 -4.74 117.00 109.89 1hg3 n LEU 148 Ca 0.02 -0.30 0.25 0.00 -0.03 0.00 0.00 56.01 55.96 1hg3 n LEU 148 Cb 0.11 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.59 1hg3 n LEU 148 CO 0.09 0.06 0.88 -0.38 -1.33 0.00 0.00 177.39 176.71 1hg3 n ILE 149 N -1.43 0.00 -1.33 -0.08 2.08 -0.90 -2.04 119.36 115.65 1hg3 n ILE 149 Ca 0.00 0.88 0.00 0.00 0.56 0.00 0.00 62.75 64.19 1hg3 n ILE 149 Cb 0.16 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 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 0.11 7.39 0.00 -1.26 -4.56 105.19 106.39 1hg3 n GLY 150 Ca 0.21 0.00 0.09 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 1.11 -1.00 2.61 -2.24 -0.87 -4.83 114.28 109.06 1hg3 n THR 151 Ca 0.00 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 1hg3 n THR 151 Cb 0.25 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 -0.78 0.56 3.50 3.38 0.00 -1.26 -5.00 105.19 105.59 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 -2.28 5.17 0.26 -0.61 1.01 -1.26 -4.84 121.20 118.65 1hg3 s ILE 153 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 1hg3 s ILE 153 Cb 0.00 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.41 1hg3 s ILE 153 CO 0.00 -0.27 1.23 -2.65 0.00 0.00 0.00 174.94 173.25 1hg3 n PRO 154 N 5.40 1.71 0.16 2.79 -0.02 -1.16 -3.94 135.00 139.93 1hg3 n PRO 154 Ca -0.09 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 1hg3 n PRO 154 Cb 0.48 -2.13 0.17 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 2.57 0.88 0.00 -1.45 -1.51 -1.57 -2.13 116.25 113.04 1hg3 h VAL 155 Ca -0.43 -1.92 -0.09 0.00 -1.23 0.00 0.00 66.70 63.02 1hg3 h VAL 155 Cb 1.31 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 32.66 1hg3 h VAL 155 CO 0.68 0.45 -0.43 0.77 -1.23 0.00 0.00 177.57 177.80 1hg3 h SER 156 N 0.00 0.00 0.00 4.19 4.64 -1.89 -3.27 113.55 117.21 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 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1hg3 h SER 156 CO 0.06 0.43 -0.00 0.11 -0.87 0.00 0.00 176.83 176.56 1hg3 h LYS 157 N 0.00 0.00 -5.64 4.77 1.57 -1.90 -3.41 116.57 111.96 1hg3 h LYS 157 Ca -0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1hg3 h LYS 157 Cb 0.87 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 1hg3 h LYS 157 CO 0.06 0.00 -0.48 0.00 -0.57 0.00 0.00 179.45 178.45 1hg3 s ALA 158 N -2.62 3.86 -0.95 3.86 0.00 -0.81 -4.48 121.76 120.62 1hg3 s ALA 158 Ca -0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 1hg3 s ALA 158 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1hg3 s ALA 158 CO 0.00 0.61 0.83 1.63 0.00 0.00 0.00 175.76 178.83 1hg3 n LYS 159 N 2.03 -5.58 0.30 0.00 5.02 -1.26 -4.29 118.16 114.37 1hg3 n LYS 159 Ca -0.20 0.58 0.16 0.00 -2.02 0.00 0.00 58.31 56.83 1hg3 n LYS 159 Cb 0.55 -4.87 0.92 0.00 -0.02 0.00 0.00 35.03 31.61 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 -1.89 0.00 -0.48 1.97 0.11 -1.78 -1.40 132.00 128.52 1hg3 h PRO 160 Ca -0.40 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1hg3 h PRO 160 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1hg3 h PRO 160 CO 0.39 0.03 0.32 0.93 -0.21 0.00 0.00 178.00 179.46 1hg3 h GLU 161 N 0.00 0.60 0.00 1.05 3.07 -1.91 -0.36 114.58 117.03 1hg3 h GLU 161 Ca -0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1hg3 h GLU 161 Cb 0.10 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1hg3 h GLU 161 CO 0.00 0.39 -0.04 0.28 -1.40 0.00 0.00 179.01 178.25 1hg3 h VAL 162 N 0.61 0.86 0.04 3.13 2.07 -1.63 0.34 116.25 121.68 1hg3 h VAL 162 Ca 0.18 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.39 1hg3 h VAL 162 Cb -0.02 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1hg3 h VAL 162 CO -0.04 0.04 -0.85 0.40 0.02 0.00 0.00 177.57 177.13 1hg3 h ILE 163 N 0.00 1.29 -0.38 4.57 2.04 -1.23 -3.16 117.51 120.63 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 0.08 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 1hg3 h ILE 163 CO 0.01 0.55 0.16 0.74 0.00 0.00 0.00 178.15 179.61 1hg3 h THR 164 N -0.75 1.19 -0.20 -0.27 2.02 -1.02 -0.36 112.91 113.52 1hg3 h THR 164 Ca -0.21 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 1hg3 h THR 164 Cb 1.36 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1hg3 h THR 164 CO -0.04 0.21 -0.15 0.78 0.37 0.00 0.00 175.52 176.69 1hg3 h ASN 165 N 0.48 0.32 0.16 4.18 2.35 -0.50 -1.80 115.58 120.76 1hg3 h ASN 165 Ca 0.13 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1hg3 h ASN 165 Cb 0.17 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1hg3 h ASN 165 CO -0.01 0.50 -0.08 0.74 -1.65 0.00 0.00 177.43 176.93 1hg3 h THR 166 N 0.31 0.98 -0.89 2.81 2.02 -1.45 0.91 112.91 117.60 1hg3 h THR 166 Ca 0.06 -0.87 0.15 0.00 0.77 0.00 0.00 66.41 66.52 1hg3 h THR 166 Cb 0.46 1.49 -0.09 0.00 -1.74 0.00 0.00 68.15 68.26 1hg3 h THR 166 CO 0.03 0.19 0.48 0.58 0.37 0.00 0.00 175.52 177.18 1hg3 h VAL 167 N -0.65 0.75 0.35 3.16 2.07 -0.89 0.31 116.25 121.34 1hg3 h VAL 167 Ca -0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1hg3 h VAL 167 Cb 0.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1hg3 h VAL 167 CO 0.04 0.12 -0.17 1.05 0.02 0.00 0.00 177.57 178.63 1hg3 h GLU 168 N 0.68 -0.45 -0.53 1.57 4.11 -1.28 -1.78 114.58 116.91 1hg3 h GLU 168 Ca 0.48 0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.99 1hg3 h GLU 168 Cb 0.67 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1hg3 h GLU 168 CO -0.35 -0.14 0.26 -0.07 0.07 0.00 0.00 179.01 178.78 1hg3 h LEU 169 N -0.97 0.37 -0.19 3.06 3.38 -0.47 -0.54 115.31 119.96 1hg3 h LEU 169 Ca -0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1hg3 h LEU 169 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1hg3 h LEU 169 CO 0.08 0.25 0.10 0.58 0.09 0.00 0.00 178.44 179.54 1hg3 h VAL 170 N 0.51 1.12 -0.77 1.22 2.07 -0.47 -0.07 116.25 119.85 1hg3 h VAL 170 Ca 0.24 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1hg3 h VAL 170 Cb 0.16 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1hg3 h VAL 170 CO -0.17 0.11 0.51 0.50 0.02 0.00 0.00 177.57 178.54 1hg3 h LYS 171 N 0.20 0.84 -0.13 1.57 3.64 -0.85 0.13 116.57 121.97 1hg3 h LYS 171 Ca 0.07 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1hg3 h LYS 171 Cb 0.09 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1hg3 h LYS 171 CO -0.01 0.56 -0.73 -0.22 -2.27 0.00 0.00 179.45 176.78 1hg3 h LYS 172 N 0.87 0.62 0.08 1.90 3.64 -0.64 -3.16 116.57 119.88 1hg3 h LYS 172 Ca 0.33 -0.49 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 1hg3 h LYS 172 Cb 0.18 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1hg3 h LYS 172 CO -0.11 1.11 -0.54 0.28 -2.27 0.00 0.00 179.45 177.93 1hg3 h VAL 173 N 0.43 1.58 -1.65 2.00 2.07 -0.45 -3.44 116.25 116.78 1hg3 h VAL 173 Ca -0.04 -2.39 -0.22 0.00 0.82 0.00 0.00 66.70 64.87 1hg3 h VAL 173 Cb 1.33 3.16 -0.28 0.00 -1.52 0.00 0.00 31.29 33.98 1hg3 h VAL 173 CO 0.14 0.66 -0.57 0.21 0.02 0.00 0.00 177.57 178.04 1hg3 s ASN 174 N -6.70 0.28 0.61 0.57 3.84 0.42 -4.87 114.94 109.09 1hg3 s ASN 174 Ca -0.15 -0.80 0.29 0.00 0.21 0.00 0.00 52.86 52.40 1hg3 s ASN 174 Cb 0.00 1.09 1.54 0.00 -0.55 0.00 0.00 41.25 43.33 1hg3 s ASN 174 CO 0.79 -0.30 1.94 -0.65 -2.79 0.00 0.00 177.10 176.09 1hg3 h PRO 175 N 7.64 0.00 0.00 0.43 0.11 -1.68 -2.19 132.00 136.30 1hg3 h PRO 175 Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1hg3 h PRO 175 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1hg3 h PRO 175 CO 0.22 0.00 -0.28 0.93 -0.21 0.00 0.00 178.00 178.66 1hg3 h GLU 176 N 0.00 0.00 -6.62 1.05 5.08 -1.90 -3.45 114.58 108.74 1hg3 h GLU 176 Ca 0.14 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.99 1hg3 h GLU 176 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1hg3 h GLU 176 CO -0.00 0.25 0.47 0.08 -1.00 0.00 0.00 179.01 178.80 1hg3 s VAL 177 N -3.09 4.01 0.03 3.13 1.01 -0.82 -4.98 120.40 119.68 1hg3 s VAL 177 Ca 0.05 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1hg3 s VAL 177 Cb 0.06 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1hg3 s VAL 177 CO 0.71 0.26 0.11 -0.54 0.00 0.00 0.00 175.10 175.64 1hg3 s LYS 178 N -0.10 3.12 -0.11 2.72 -0.14 -0.84 -4.84 119.74 119.55 1hg3 s LYS 178 Ca 0.50 -0.51 -0.02 0.00 -1.36 0.00 0.00 55.97 54.58 1hg3 s LYS 178 Cb -0.28 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 32.96 1hg3 s LYS 178 CO 0.33 0.62 -0.01 0.08 -0.76 0.00 0.00 175.35 175.62 1hg3 s VAL 179 N -1.30 4.21 0.24 3.17 1.01 -1.26 -0.90 120.40 125.57 1hg3 s VAL 179 Ca 0.27 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1hg3 s VAL 179 Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1hg3 s VAL 179 CO 0.18 0.57 -0.04 -0.76 0.00 0.00 0.00 175.10 175.06 1hg3 s LEU 180 N -0.51 2.35 0.11 3.92 1.43 -0.50 -0.43 118.68 125.04 1hg3 s LEU 180 Ca 0.09 -1.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1hg3 s LEU 180 Cb -0.12 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1hg3 s LEU 180 CO 0.02 -0.42 -0.10 0.00 0.23 0.00 0.00 176.35 176.08 1hg3 s GLY 182 N -2.72 1.24 0.00 0.00 0.00 0.14 -1.54 107.32 104.44 1hg3 s GLY 182 Ca 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1hg3 s GLY 182 CO -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 173.10 172.11 1hg3 n ALA 183 N -0.46 -0.45 -0.48 3.20 0.00 -1.24 -4.25 120.51 116.83 1hg3 n ALA 183 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 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 2.26 1.73 3.64 0.00 0.00 -1.25 -1.95 105.19 109.62 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 -3.36 3.87 0.00 -0.61 -1.09 -1.26 -2.98 121.20 115.77 1hg3 s ILE 185 Ca 0.00 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 1hg3 s ILE 185 Cb 0.00 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1hg3 s ILE 185 CO 0.00 -0.22 0.00 -1.54 -1.23 0.00 0.00 174.94 171.95 1hg3 n SER 186 N 7.58 0.01 -4.76 3.58 3.41 -1.26 -4.58 113.62 117.60 1hg3 n SER 186 Ca 0.17 -0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.47 1hg3 n SER 186 Cb 0.45 0.00 -0.07 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 -0.00 4.44 0.47 6.66 2.01 -1.26 -4.64 115.64 123.32 1hg3 s THR 187 Ca 0.00 -0.81 0.27 0.00 0.31 0.00 0.00 61.69 61.46 1hg3 s THR 187 Cb 0.00 -3.14 0.30 0.00 0.01 0.00 0.00 72.50 69.67 1hg3 s THR 187 CO 0.00 0.12 2.12 1.23 -0.69 0.00 0.00 174.62 177.41 1hg3 h GLY 188 N 3.31 0.00 1.04 4.40 0.00 -1.78 -1.53 103.07 108.51 1hg3 h GLY 188 Ca -0.47 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1hg3 h GLY 188 CO 0.65 0.00 -0.17 -2.09 0.00 0.00 0.00 176.54 174.92 1hg3 h GLU 189 N 0.00 0.87 -0.92 4.80 4.81 -1.89 -0.73 114.58 121.52 1hg3 h GLU 189 Ca -0.00 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1hg3 h GLU 189 Cb 0.22 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1hg3 h GLU 189 CO 0.01 1.01 0.56 -0.44 -0.73 0.00 0.00 179.01 179.42 1hg3 h ASP 190 N 0.69 1.10 -0.47 1.04 3.32 -1.70 0.31 116.42 120.72 1hg3 h ASP 190 Ca 0.10 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1hg3 h ASP 190 Cb 0.73 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1hg3 h ASP 190 CO 0.06 0.83 0.07 0.58 -1.72 0.00 0.00 179.24 179.07 1hg3 h VAL 191 N 1.26 1.24 -0.24 -1.35 2.07 -1.18 0.63 116.25 118.68 1hg3 h VAL 191 Ca 0.33 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1hg3 h VAL 191 Cb -0.07 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1hg3 h VAL 191 CO -0.06 0.33 -0.03 0.50 0.02 0.00 0.00 177.57 178.33 1hg3 h LYS 192 N 0.80 0.44 0.17 1.57 3.64 0.24 -2.54 116.57 120.90 1hg3 h LYS 192 Ca 0.17 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1hg3 h LYS 192 Cb 0.38 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1hg3 h LYS 192 CO 0.01 0.65 -0.08 0.87 -2.27 0.00 0.00 179.45 178.63 1hg3 h LYS 193 N 0.19 -0.23 -0.54 1.90 1.57 -0.11 -1.47 116.57 117.88 1hg3 h LYS 193 Ca 0.06 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 1hg3 h LYS 193 Cb 0.48 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.73 1hg3 h LYS 193 CO 0.02 -0.09 -0.30 0.00 -0.57 0.00 0.00 179.45 178.51 1hg3 h ALA 194 N 0.50 -0.00 -0.70 3.86 0.00 -0.89 -0.17 119.26 121.86 1hg3 h ALA 194 Ca -0.02 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1hg3 h ALA 194 Cb 0.24 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1hg3 h ALA 194 CO 0.04 -0.65 0.20 0.82 0.00 0.00 0.00 179.25 179.67 1hg3 h ILE 195 N -0.16 1.25 -0.92 0.00 2.04 -1.37 -2.63 117.51 115.73 1hg3 h ILE 195 Ca 0.23 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1hg3 h ILE 195 Cb 0.53 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1hg3 h ILE 195 CO -0.63 0.35 0.58 -0.33 0.00 0.00 0.00 178.15 178.12 1hg3 h GLU 196 N 1.04 1.22 0.00 2.37 5.08 -0.09 -1.41 114.58 122.78 1hg3 h GLU 196 Ca 0.22 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1hg3 h GLU 196 Cb 0.31 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1hg3 h GLU 196 CO -0.01 0.83 0.00 1.28 -1.00 0.00 0.00 179.01 180.12 1hg3 n LEU 197 N -4.38 0.00 0.00 1.33 4.77 -0.21 -4.79 117.00 113.72 1hg3 n LEU 197 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 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 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1hg3 n GLY 198 N -0.06 0.73 3.86 -0.72 0.00 -0.54 -4.60 105.19 103.86 1hg3 n GLY 198 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 4.08 -1.63 2.61 2.01 -1.03 -4.87 115.64 114.82 1hg3 s THR 199 Ca 0.00 0.68 0.14 0.00 0.31 0.00 0.00 61.69 62.82 1hg3 s THR 199 Cb 0.00 -3.59 0.20 0.00 0.01 0.00 0.00 72.50 69.13 1hg3 s THR 199 CO 0.00 -0.88 1.08 0.52 -0.69 0.00 0.00 174.62 174.64 1hg3 n VAL 200 N -2.97 0.31 -3.95 3.82 0.31 0.43 -4.45 118.33 111.83 1hg3 n VAL 200 Ca 0.07 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1hg3 n VAL 200 Cb 0.55 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.53 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 0.82 -1.09 2.98 2.92 0.00 -1.26 -0.93 105.19 108.64 1hg3 n GLY 201 Ca 0.11 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 0.17 -0.20 1.61 1.01 0.23 -3.14 120.40 117.09 1hg3 s VAL 202 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1hg3 s VAL 202 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.09 1hg3 s VAL 202 CO 0.00 -0.43 -0.12 -0.22 0.00 0.00 0.00 175.10 174.33 1hg3 s LEU 203 N -1.34 2.52 0.24 3.92 2.96 -0.59 -0.26 118.68 126.13 1hg3 s LEU 203 Ca -0.14 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 1hg3 s LEU 203 Cb -0.09 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1hg3 s LEU 203 CO -0.01 -0.01 0.28 -1.48 -1.32 0.00 0.00 176.35 173.82 1hg3 s LEU 204 N 1.37 0.92 0.00 -0.68 0.05 -0.56 -3.69 118.68 116.09 1hg3 s LEU 204 Ca 0.05 -1.28 0.00 0.00 0.05 0.00 0.00 54.13 52.95 1hg3 s LEU 204 Cb -0.14 0.94 0.00 0.00 -2.05 0.00 0.00 46.19 44.94 1hg3 s LEU 204 CO -0.08 -1.00 0.00 0.00 -0.55 0.00 0.00 176.35 174.72 1hg3 n ALA 205 N -0.36 1.61 -0.30 1.48 0.00 -1.26 0.25 120.51 121.92 1hg3 n ALA 205 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.68 1hg3 n ALA 205 Cb 0.64 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.63 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 0.38 -0.98 0.00 4.64 -1.91 -0.10 113.55 115.58 1hg3 h SER 206 Ca 0.00 0.06 0.24 0.00 -0.47 0.00 0.00 61.79 61.62 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 0.10 0.64 1.23 -0.87 0.00 0.00 176.83 177.93 1hg3 h GLY 207 N 0.35 0.99 0.00 -0.77 0.00 -1.93 0.12 103.07 101.83 1hg3 h GLY 207 Ca 0.55 -0.19 -0.45 0.00 0.00 0.00 0.00 47.33 47.24 1hg3 h GLY 207 CO -0.23 -0.06 -2.50 -0.62 0.00 0.00 0.00 176.54 173.13 1hg3 n VAL 208 N -4.55 1.48 -0.24 4.60 0.31 -0.62 -4.04 118.33 115.27 1hg3 n VAL 208 Ca 0.22 -0.39 0.17 0.00 -0.01 0.00 0.00 64.34 64.33 1hg3 n VAL 208 Cb 0.80 -1.82 0.48 0.00 -0.91 0.00 0.00 33.84 32.38 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 -0.87 0.73 -0.02 2.52 1.03 -0.89 -1.72 112.91 113.69 1hg3 h THR 209 Ca -0.68 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 1hg3 h THR 209 Cb 1.63 0.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 1hg3 h THR 209 CO -0.38 0.09 -0.34 0.29 -0.01 0.00 0.00 175.52 175.16 1hg3 n LYS 210 N -4.53 1.51 -1.99 0.00 4.76 0.42 -4.74 118.16 113.60 1hg3 n LYS 210 Ca 0.18 -1.13 -0.42 0.00 -2.87 0.00 0.00 58.31 54.07 1hg3 n LYS 210 Cb 0.62 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.37 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 3.71 0.32 7.82 0.00 -0.65 -4.89 121.76 125.88 1hg3 s ALA 211 Ca 0.19 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.51 1hg3 s ALA 211 Cb 0.17 -3.59 0.63 0.00 0.00 0.00 0.00 23.12 20.32 1hg3 s ALA 211 CO 0.47 -0.75 1.89 0.87 0.00 0.00 0.00 175.76 178.24 1hg3 h LYS 212 N 6.22 0.89 -3.05 0.00 1.57 -1.93 -3.26 116.57 117.00 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 0.86 0.59 -0.68 0.34 -0.57 0.00 0.00 179.45 179.99 1hg3 s ASP 213 N -5.90 3.94 0.26 0.86 2.15 -1.26 -5.01 116.67 111.72 1hg3 s ASP 213 Ca -0.11 -3.17 -0.05 0.00 0.43 0.00 0.00 52.55 49.66 1hg3 s ASP 213 Cb 0.21 -1.31 0.52 0.00 -0.30 0.00 0.00 42.92 42.03 1hg3 s ASP 213 CO 0.80 -0.19 1.62 -0.65 -0.17 0.00 0.00 175.17 176.58 1hg3 h PRO 214 N 6.13 0.10 0.00 4.34 0.11 -1.80 -1.89 132.00 138.98 1hg3 h PRO 214 Ca 0.05 -0.01 0.02 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 0.60 0.06 -0.16 1.49 -0.21 0.00 0.00 178.00 179.78 1hg3 h GLU 215 N 0.10 -0.26 -0.87 1.05 4.81 -1.93 0.13 114.58 117.61 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 0.84 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 1hg3 h GLU 215 CO -0.72 -0.17 0.53 -0.22 -0.73 0.00 0.00 179.01 177.70 1hg3 h LYS 216 N -0.27 0.88 -0.55 1.92 3.64 -1.78 0.16 116.57 120.56 1hg3 h LYS 216 Ca 0.05 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1hg3 h LYS 216 Cb 0.34 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1hg3 h LYS 216 CO -0.15 0.58 0.23 0.00 -2.27 0.00 0.00 179.45 177.84 1hg3 h ALA 217 N 1.45 0.72 -0.48 5.00 0.00 -0.64 0.16 119.26 125.47 1hg3 h ALA 217 Ca 0.41 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1hg3 h ALA 217 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1hg3 h ALA 217 CO -0.22 0.32 0.05 0.82 0.00 0.00 0.00 179.25 180.22 1hg3 h ILE 218 N 0.75 1.25 -0.80 0.00 2.04 0.10 -2.22 117.51 118.64 1hg3 h ILE 218 Ca 0.19 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1hg3 h ILE 218 Cb 0.19 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1hg3 h ILE 218 CO -0.02 0.34 0.49 -0.25 0.00 0.00 0.00 178.15 178.72 1hg3 h TRP 219 N 0.68 1.04 -0.12 1.37 2.91 -0.38 -0.36 115.95 121.11 1hg3 h TRP 219 Ca 0.14 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.19 1hg3 h TRP 219 Cb 0.43 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1hg3 h TRP 219 CO 0.03 0.69 -0.02 0.22 -1.03 0.00 0.00 178.44 178.33 1hg3 h ASP 220 N 1.09 -0.09 -0.46 2.65 1.82 -0.76 0.19 116.42 120.87 1hg3 h ASP 220 Ca 0.29 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 57.00 1hg3 h ASP 220 Cb -0.06 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 1hg3 h ASP 220 CO -0.06 -0.03 0.22 -0.07 -1.61 0.00 0.00 179.24 177.69 1hg3 h LEU 221 N 0.01 0.30 -1.42 2.28 3.38 -0.90 -1.87 115.31 117.10 1hg3 h LEU 221 Ca 0.06 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1hg3 h LEU 221 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1hg3 h LEU 221 CO -0.12 0.21 -0.28 0.58 0.09 0.00 0.00 178.44 178.93 1hg3 h VAL 222 N 0.43 0.96 0.00 1.22 2.07 -0.56 -2.01 116.25 118.36 1hg3 h VAL 222 Ca 0.20 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1hg3 h VAL 222 Cb 0.13 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1hg3 h VAL 222 CO -0.15 0.27 0.00 0.77 0.02 0.00 0.00 177.57 178.48 1hg3 h SER 223 N 0.00 0.00 -0.16 0.57 4.64 0.23 0.07 113.55 118.91 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 -0.73 1.12 0.00 -0.77 0.00 -0.76 -4.98 105.19 99.07 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