#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg0 h ASP 13 N 0.00 0.34 -0.92 4.04 3.04 -2.03 -3.01 116.42 117.88 3hg0 h ASP 13 Ca 0.00 -0.90 0.13 0.00 -3.24 0.00 0.00 57.03 53.02 3hg0 h ASP 13 Cb 0.00 -0.11 -0.09 0.00 -1.04 0.00 0.00 39.33 38.09 3hg0 h ASP 13 CO 0.00 1.41 0.53 -0.07 -2.04 0.00 0.00 179.24 179.07 3hg0 h LEU 14 N -0.49 0.73 -0.46 0.15 3.38 -1.97 0.39 115.31 117.04 3hg0 h LEU 14 Ca -0.18 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3hg0 h LEU 14 Cb 1.56 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 3hg0 h LEU 14 CO 0.08 0.36 0.15 1.23 0.09 0.00 0.00 178.44 180.35 3hg0 h GLY 15 N 0.80 0.77 1.13 0.83 0.00 -1.93 0.21 103.07 104.88 3hg0 h GLY 15 Ca 0.48 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 3hg0 h GLY 15 CO -0.31 0.42 -0.33 0.50 0.00 0.00 0.00 176.54 176.82 3hg0 h LYS 16 N 0.61 0.97 -0.53 4.80 1.57 -1.22 -1.24 116.57 121.52 3hg0 h LYS 16 Ca 0.15 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3hg0 h LYS 16 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3hg0 h LYS 16 CO -0.01 1.14 0.14 0.87 -0.57 0.00 0.00 179.45 181.02 3hg0 h LYS 17 N 0.80 0.80 -0.25 3.15 1.57 0.01 -1.93 116.57 120.73 3hg0 h LYS 17 Ca 0.08 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 3hg0 h LYS 17 Cb 0.92 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3hg0 h LYS 17 CO 0.09 0.72 -0.41 1.25 -0.57 0.00 0.00 179.45 180.52 3hg0 h LEU 18 N 0.78 0.80 -0.40 2.94 5.85 -0.23 -2.09 115.31 122.96 3hg0 h LEU 18 Ca 0.17 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.41 3hg0 h LEU 18 Cb 0.27 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3hg0 h LEU 18 CO -0.00 1.17 0.17 -0.07 -0.34 0.00 0.00 178.44 179.36 3hg0 h LEU 19 N 0.45 0.21 -0.28 2.25 3.38 -0.91 -0.62 115.31 119.80 3hg0 h LEU 19 Ca 0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hg0 h LEU 19 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3hg0 h LEU 19 CO 0.09 0.16 0.11 -0.08 0.09 0.00 0.00 178.44 178.82 3hg0 h GLU 20 N 0.34 0.41 -0.92 1.13 4.57 -1.32 -1.26 114.58 117.54 3hg0 h GLU 20 Ca 0.18 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 3hg0 h GLU 20 Cb 0.13 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 3hg0 h GLU 20 CO -0.16 0.43 0.60 0.00 -1.18 0.00 0.00 179.01 178.71 3hg0 h ALA 21 N 0.96 1.21 -0.31 2.92 0.00 -1.04 0.77 119.26 123.77 3hg0 h ALA 21 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hg0 h ALA 21 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hg0 h ALA 21 CO -0.01 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 3hg0 h ALA 22 N 1.37 0.43 -0.85 0.00 0.00 -0.98 0.53 119.26 119.76 3hg0 h ALA 22 Ca 0.36 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hg0 h ALA 22 Cb -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hg0 h ALA 22 CO -0.11 0.30 0.56 -0.09 0.00 0.00 0.00 179.25 179.91 3hg0 h ARG 23 N 0.39 1.10 -0.01 0.00 2.43 -0.69 -2.98 114.38 114.61 3hg0 h ARG 23 Ca 0.07 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hg0 h ARG 23 Cb 0.63 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3hg0 h ARG 23 CO 0.04 0.73 -0.45 0.00 -1.51 0.00 0.00 179.97 178.77 3hg0 n ALA 24 N -2.41 3.51 -2.19 2.80 0.00 0.22 -4.86 120.51 117.58 3hg0 n ALA 24 Ca 0.10 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.93 3hg0 n ALA 24 Cb 0.05 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 3hg0 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg0 n GLY 25 N 1.40 0.08 3.51 0.00 0.00 0.04 -4.96 105.19 105.26 3hg0 n GLY 25 Ca 0.10 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 3hg0 n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hg0 s GLN 26 N -4.45 3.74 0.20 1.61 -0.21 -0.38 -4.85 119.66 115.32 3hg0 s GLN 26 Ca 0.01 -1.71 -0.18 0.00 0.02 0.00 0.00 55.36 53.51 3hg0 s GLN 26 Cb -0.01 -5.19 0.18 0.00 1.00 0.00 0.00 33.01 28.99 3hg0 s GLN 26 CO 0.02 -2.00 1.59 -0.44 -2.12 0.00 0.00 175.29 172.34 3hg0 h ASP 27 N 8.70 -0.99 0.34 5.90 3.32 -1.93 -1.02 116.42 130.75 3hg0 h ASP 27 Ca 0.24 0.22 -0.16 0.00 0.02 0.00 0.00 57.03 57.36 3hg0 h ASP 27 Cb 0.97 0.53 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 3hg0 h ASP 27 CO 1.30 -0.28 -0.63 0.44 -1.72 0.00 0.00 179.24 178.34 3hg0 h ASP 28 N -0.10 0.32 0.31 6.45 5.19 -1.98 -1.84 116.42 124.77 3hg0 h ASP 28 Ca 0.27 -0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3hg0 h ASP 28 Cb 0.54 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 3hg0 h ASP 28 CO -0.70 0.87 -0.25 -0.33 -3.12 0.00 0.00 179.24 175.70 3hg0 h GLU 29 N 0.20 -0.55 -0.65 3.56 4.39 -1.72 0.86 114.58 120.66 3hg0 h GLU 29 Ca -0.01 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.83 3hg0 h GLU 29 Cb 1.16 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 29.82 3hg0 h GLU 29 CO 0.10 -0.37 -0.37 0.28 -1.16 0.00 0.00 179.01 177.49 3hg0 h VAL 30 N -0.57 0.12 0.48 3.13 2.07 -0.99 0.21 116.25 120.70 3hg0 h VAL 30 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3hg0 h VAL 30 Cb 0.51 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3hg0 h VAL 30 CO -0.02 0.00 -0.41 -0.09 0.02 0.00 0.00 177.57 177.07 3hg0 h ARG 31 N -0.16 -0.85 -0.28 1.57 2.43 -0.80 -2.13 114.38 114.17 3hg0 h ARG 31 Ca 0.23 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3hg0 h ARG 31 Cb 0.56 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3hg0 h ARG 31 CO -0.73 -0.57 -0.04 -0.84 -1.51 0.00 0.00 179.97 176.29 3hg0 h ILE 32 N -0.88 1.19 -0.05 1.20 3.07 -0.17 -1.97 117.51 119.89 3hg0 h ILE 32 Ca -0.05 -0.77 -0.01 0.00 1.55 0.00 0.00 64.86 65.58 3hg0 h ILE 32 Cb 0.76 1.02 -0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3hg0 h ILE 32 CO -0.03 0.26 -0.00 -0.07 -1.05 0.00 0.00 178.15 177.26 3hg0 h LEU 33 N 0.42 0.09 -0.61 0.16 3.38 -0.35 0.45 115.31 118.85 3hg0 h LEU 33 Ca 0.09 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3hg0 h LEU 33 Cb 0.34 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3hg0 h LEU 33 CO 0.01 0.40 0.28 0.24 0.09 0.00 0.00 178.44 179.46 3hg0 h MET 34 N -0.22 0.50 -0.95 1.13 2.86 -1.21 0.16 114.93 117.19 3hg0 h MET 34 Ca 0.01 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3hg0 h MET 34 Cb 0.35 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 3hg0 h MET 34 CO 0.00 0.33 0.62 0.00 1.06 0.00 0.00 176.91 178.92 3hg0 h ALA 35 N 1.37 1.24 0.00 6.32 0.00 -1.09 -1.13 119.26 125.98 3hg0 h ALA 35 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hg0 h ALA 35 Cb 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hg0 h ALA 35 CO -0.24 0.52 0.00 -0.91 0.00 0.00 0.00 179.25 178.62 3hg0 h ASN 36 N 1.22 0.00 0.00 0.00 2.35 1.00 -3.45 115.58 116.70 3hg0 h ASN 36 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3hg0 h ASN 36 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hg0 h ASN 36 CO -0.11 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.28 3hg0 n GLY 37 N -0.45 1.01 3.77 2.83 0.00 -0.41 -5.07 105.19 106.87 3hg0 n GLY 37 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3hg0 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg0 s ALA 38 N -1.55 3.17 -0.35 4.61 0.00 -0.81 -4.94 121.76 121.89 3hg0 s ALA 38 Ca 0.00 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.75 3hg0 s ALA 38 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.72 3hg0 s ALA 38 CO 0.00 -0.66 1.03 0.34 0.00 0.00 0.00 175.76 176.47 3hg0 s ASP 39 N -1.00 6.81 0.60 0.00 -1.08 -1.26 -4.63 116.67 116.11 3hg0 s ASP 39 Ca 0.58 0.82 0.28 0.00 -0.52 0.00 0.00 52.55 53.70 3hg0 s ASP 39 Cb -0.33 -2.52 1.32 0.00 -1.46 0.00 0.00 42.92 39.94 3hg0 s ASP 39 CO 0.42 -0.91 1.73 1.62 0.52 0.00 0.00 175.17 178.55 3hg0 h VAL 40 N 5.82 0.23 -0.46 1.11 3.04 -1.92 -1.02 116.25 123.04 3hg0 h VAL 40 Ca -0.22 0.00 -0.31 0.00 -1.01 0.00 0.00 66.70 65.17 3hg0 h VAL 40 Cb 1.07 0.46 -0.20 0.00 -2.01 0.00 0.00 31.29 30.60 3hg0 h VAL 40 CO 1.03 0.00 -0.32 0.59 -1.01 0.00 0.00 177.57 177.85 3hg0 n ASN 41 N -3.48 3.55 -4.77 3.17 3.02 -1.26 -4.38 115.26 111.11 3hg0 n ASN 41 Ca 0.11 -3.81 -0.32 0.00 -0.03 0.00 0.00 54.58 50.53 3hg0 n ASN 41 Cb 0.86 -0.55 0.07 0.00 -0.61 0.00 0.00 39.78 39.55 3hg0 n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hg0 s ALA 42 N -3.42 2.36 0.03 5.41 0.00 -0.39 -4.95 121.76 120.80 3hg0 s ALA 42 Ca 0.47 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.87 3hg0 s ALA 42 Cb 0.41 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3hg0 s ALA 42 CO -0.01 -1.53 -0.16 -1.21 0.00 0.00 0.00 175.76 172.85 3hg0 s GLU 43 N -4.54 1.15 0.61 0.00 2.02 -1.26 -4.07 118.70 112.61 3hg0 s GLU 43 Ca 0.64 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.78 3hg0 s GLU 43 Cb -0.19 -1.18 0.14 0.00 0.10 0.00 0.00 34.13 33.00 3hg0 s GLU 43 CO 0.49 0.30 0.83 -0.40 0.02 0.00 0.00 175.26 176.51 3hg0 n ASP 44 N 2.10 0.17 0.28 -0.19 5.68 -0.39 -4.85 116.55 119.35 3hg0 n ASP 44 Ca -0.17 -1.36 0.16 0.00 -0.50 0.00 0.00 54.79 52.92 3hg0 n ASP 44 Cb 0.54 -0.63 0.92 0.00 -1.14 0.00 0.00 41.12 40.81 3hg0 n ASP 44 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3hg0 h LYS 45 N 0.00 0.00 -0.47 0.11 6.56 -2.01 0.62 116.57 121.38 3hg0 h LYS 45 Ca -0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 3hg0 h LYS 45 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 3hg0 h LYS 45 CO 0.20 0.00 0.00 1.33 -2.06 0.00 0.00 179.45 178.92 3hg0 n VAL 46 N -3.80 1.33 -0.46 0.50 0.24 -1.26 -4.97 118.33 109.90 3hg0 n VAL 46 Ca -0.02 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 3hg0 n VAL 46 Cb 0.12 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3hg0 n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hg0 n GLY 47 N 0.71 0.76 3.76 7.63 0.00 0.21 -0.59 105.19 117.68 3hg0 n GLY 47 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3hg0 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg0 s LEU 48 N 0.00 4.60 0.44 0.99 1.02 -1.26 -3.55 118.68 120.92 3hg0 s LEU 48 Ca 0.00 1.74 0.08 0.00 0.02 0.00 0.00 54.13 55.97 3hg0 s LEU 48 Cb 0.00 -3.41 0.01 0.00 0.02 0.00 0.00 46.19 42.81 3hg0 s LEU 48 CO 0.00 0.17 0.52 0.42 0.02 0.00 0.00 176.35 177.48 3hg0 s THR 49 N -1.04 2.75 0.45 5.49 -4.23 -1.26 -1.26 115.64 116.53 3hg0 s THR 49 Ca 0.38 -1.13 0.10 0.00 -1.18 0.00 0.00 61.69 59.86 3hg0 s THR 49 Cb -0.24 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 70.99 3hg0 s THR 49 CO 0.28 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.79 3hg0 h PRO 50 N 0.73 0.36 -0.25 3.99 0.11 -1.76 -0.47 132.00 134.70 3hg0 h PRO 50 Ca -0.39 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 3hg0 h PRO 50 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3hg0 h PRO 50 CO 0.49 0.24 -0.07 1.25 -0.21 0.00 0.00 178.00 179.71 3hg0 h LEU 51 N 0.38 0.49 -0.18 2.35 5.85 -1.93 0.13 115.31 122.39 3hg0 h LEU 51 Ca 0.12 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3hg0 h LEU 51 Cb 0.02 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3hg0 h LEU 51 CO -0.03 0.75 -0.02 0.45 -0.34 0.00 0.00 178.44 179.25 3hg0 h HIS 52 N 0.23 -0.05 -0.17 1.25 3.86 -1.78 0.12 115.15 118.61 3hg0 h HIS 52 Ca 0.06 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3hg0 h HIS 52 Cb 0.54 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3hg0 h HIS 52 CO 0.05 -0.05 0.05 -0.07 0.86 0.00 0.00 177.93 178.77 3hg0 h LEU 53 N 0.03 0.25 -0.74 2.43 3.38 -0.83 0.20 115.31 120.04 3hg0 h LEU 53 Ca 0.09 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3hg0 h LEU 53 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hg0 h LEU 53 CO -0.16 0.41 -0.03 0.00 0.09 0.00 0.00 178.44 178.74 3hg0 h ALA 54 N 0.85 0.94 -0.17 1.53 0.00 -0.66 -2.84 119.26 118.92 3hg0 h ALA 54 Ca 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3hg0 h ALA 54 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hg0 h ALA 54 CO -0.00 0.63 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 3hg0 h ALA 55 N 1.10 0.25 0.00 0.00 0.00 -0.71 -1.21 119.26 118.69 3hg0 h ALA 55 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hg0 h ALA 55 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hg0 h ALA 55 CO 0.03 0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.39 3hg0 h MET 56 N 0.06 0.00 -0.56 0.00 -0.00 -0.88 0.11 114.93 113.66 3hg0 h MET 56 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 3hg0 h MET 56 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 3hg0 h MET 56 CO 0.04 0.05 0.00 0.09 -0.00 0.00 0.00 176.91 177.09 3hg0 n ASN 57 N -3.42 4.57 -3.56 -0.10 3.02 -1.08 -4.94 115.26 109.75 3hg0 n ASN 57 Ca -0.02 -2.53 -0.22 0.00 -0.03 0.00 0.00 54.58 51.78 3hg0 n ASN 57 Cb 0.18 -0.55 0.08 0.00 -0.61 0.00 0.00 39.78 38.88 3hg0 n ASN 57 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hg0 n ASP 58 N 0.78 -4.79 -4.19 6.41 2.03 0.37 -4.96 116.55 112.19 3hg0 n ASP 58 Ca 0.24 -0.58 -0.41 0.00 0.52 0.00 0.00 54.79 54.56 3hg0 n ASP 58 Cb 0.88 -5.00 -0.06 0.00 -0.72 0.00 0.00 41.12 36.22 3hg0 n ASP 58 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3hg0 s HIS 59 N -3.34 3.58 0.06 -0.67 3.76 -0.47 -4.95 115.29 113.26 3hg0 s HIS 59 Ca 0.39 -2.45 -0.23 0.00 -0.15 0.00 0.00 55.06 52.62 3hg0 s HIS 59 Cb -0.17 -3.46 -0.15 0.00 1.11 0.00 0.00 32.58 29.91 3hg0 s HIS 59 CO 0.74 -0.90 1.58 1.25 -0.85 0.00 0.00 174.74 176.56 3hg0 h LEU 60 N 7.26 0.06 -0.80 0.89 5.85 -1.93 -1.49 115.31 125.15 3hg0 h LEU 60 Ca 0.05 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3hg0 h LEU 60 Cb 0.98 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3hg0 h LEU 60 CO 0.74 0.22 0.49 -0.33 -0.34 0.00 0.00 178.44 179.22 3hg0 h GLU 61 N -0.10 0.90 0.35 1.25 4.39 -1.98 0.11 114.58 119.50 3hg0 h GLU 61 Ca 0.01 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3hg0 h GLU 61 Cb 0.18 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3hg0 h GLU 61 CO -0.00 0.60 -0.17 0.82 -1.16 0.00 0.00 179.01 179.10 3hg0 h ILE 62 N 0.93 0.66 -1.00 3.13 2.04 -1.89 0.84 117.51 122.21 3hg0 h ILE 62 Ca 0.34 -0.34 0.16 0.00 1.00 0.00 0.00 64.86 66.02 3hg0 h ILE 62 Cb 0.11 0.83 -0.17 0.00 -0.74 0.00 0.00 36.82 36.86 3hg0 h ILE 62 CO -0.15 0.07 -0.37 0.52 0.00 0.00 0.00 178.15 178.22 3hg0 n VAL 63 N -5.22 -0.51 -0.03 1.67 0.31 -0.59 -0.38 118.33 113.60 3hg0 n VAL 63 Ca -0.10 2.33 -0.09 0.00 -0.01 0.00 0.00 64.34 66.47 3hg0 n VAL 63 Cb 0.25 -3.11 -0.03 0.00 -0.91 0.00 0.00 33.84 30.05 3hg0 n VAL 63 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hg0 h GLU 64 N 0.00 0.05 -0.31 5.55 5.08 -0.31 -0.88 114.58 123.76 3hg0 h GLU 64 Ca 0.37 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 3hg0 h GLU 64 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3hg0 h GLU 64 CO -1.00 0.03 -0.08 0.28 -1.00 0.00 0.00 179.01 177.24 3hg0 h VAL 65 N 0.05 1.22 -0.15 3.13 2.07 0.11 -0.96 116.25 121.73 3hg0 h VAL 65 Ca 0.08 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3hg0 h VAL 65 Cb 0.10 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hg0 h VAL 65 CO -0.14 0.31 -0.01 -0.07 0.02 0.00 0.00 177.57 177.68 3hg0 h LEU 66 N 0.48 0.26 -0.66 2.57 3.38 -0.04 -1.78 115.31 119.52 3hg0 h LEU 66 Ca 0.09 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3hg0 h LEU 66 Cb 0.44 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3hg0 h LEU 66 CO 0.02 0.54 0.42 -0.07 0.09 0.00 0.00 178.44 179.44 3hg0 h LEU 67 N -0.01 0.71 -1.65 1.67 3.38 -0.83 -0.86 115.31 117.72 3hg0 h LEU 67 Ca 0.04 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3hg0 h LEU 67 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3hg0 h LEU 67 CO 0.01 0.50 0.34 0.50 0.09 0.00 0.00 178.44 179.88 3hg0 h LYS 68 N 0.84 0.41 -0.52 1.13 3.11 -0.93 0.11 116.57 120.72 3hg0 h LYS 68 Ca 0.25 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.07 3hg0 h LYS 68 Cb -0.04 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 3hg0 h LYS 68 CO -0.08 0.27 0.00 0.09 -2.81 0.00 0.00 179.45 176.92 3hg0 n ASN 69 N -4.47 2.25 -0.13 4.20 3.02 -0.63 -4.89 115.26 114.60 3hg0 n ASN 69 Ca 0.07 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 3hg0 n ASN 69 Cb 0.27 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3hg0 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hg0 n GLY 70 N 0.73 0.87 3.76 7.41 0.00 0.37 -4.89 105.19 113.43 3hg0 n GLY 70 Ca 0.11 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 3hg0 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg0 s ALA 71 N -2.26 2.78 -0.63 4.61 0.00 -0.42 -4.91 121.76 120.93 3hg0 s ALA 71 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 3hg0 s ALA 71 Cb 0.00 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.74 3hg0 s ALA 71 CO 0.00 -0.99 0.96 0.34 0.00 0.00 0.00 175.76 176.06 3hg0 s ASP 72 N -1.37 6.22 0.55 0.00 2.15 -1.26 -4.77 116.67 118.18 3hg0 s ASP 72 Ca 0.71 -0.80 0.22 0.00 0.43 0.00 0.00 52.55 53.11 3hg0 s ASP 72 Cb -0.31 -2.42 1.51 0.00 -0.30 0.00 0.00 42.92 41.39 3hg0 s ASP 72 CO 0.36 -1.38 2.18 -0.37 -0.17 0.00 0.00 175.17 175.79 3hg0 h VAL 73 N 5.98 0.77 -0.40 1.11 -1.51 -1.92 -2.09 116.25 118.20 3hg0 h VAL 73 Ca -0.28 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.01 3hg0 h VAL 73 Cb 1.07 0.98 -0.11 0.00 -2.13 0.00 0.00 31.29 31.10 3hg0 h VAL 73 CO 1.15 0.00 0.01 0.59 -1.23 0.00 0.00 177.57 178.09 3hg0 n ASN 74 N -4.22 2.87 -4.72 4.19 3.02 -1.26 -4.46 115.26 110.67 3hg0 n ASN 74 Ca -0.02 -3.62 -0.42 0.00 -0.03 0.00 0.00 54.58 50.49 3hg0 n ASN 74 Cb 0.13 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.65 3hg0 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hg0 n ALA 75 N -1.01 1.94 -2.52 5.41 0.00 -0.79 -4.92 120.51 118.62 3hg0 n ALA 75 Ca 0.34 0.37 -0.28 0.00 0.00 0.00 0.00 53.44 53.87 3hg0 n ALA 75 Cb 1.07 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 3hg0 n ALA 75 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3hg0 s ILE 76 N -0.46 2.93 0.06 0.00 -4.36 -1.26 -4.08 121.20 114.02 3hg0 s ILE 76 Ca 0.61 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.34 3hg0 s ILE 76 Cb -0.54 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 40.77 3hg0 s ILE 76 CO 0.55 -0.04 0.08 -0.90 0.24 0.00 0.00 174.94 174.87 3hg0 n ASP 77 N 0.33 0.15 0.19 4.36 5.68 -0.84 -4.80 116.55 121.63 3hg0 n ASP 77 Ca -0.13 -1.12 0.14 0.00 -0.50 0.00 0.00 54.79 53.19 3hg0 n ASP 77 Cb 0.55 -0.05 0.64 0.00 -1.14 0.00 0.00 41.12 41.12 3hg0 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hg0 h ALA 78 N -0.04 1.00 -0.14 2.12 0.00 -1.08 -0.98 119.26 120.15 3hg0 h ALA 78 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3hg0 h ALA 78 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hg0 h ALA 78 CO 0.03 0.00 -0.21 0.44 0.00 0.00 0.00 179.25 179.51 3hg0 n ILE 79 N -2.52 2.27 -1.00 0.00 -5.35 -1.26 -4.98 119.36 106.52 3hg0 n ILE 79 Ca 0.00 -2.74 -0.00 0.00 -0.27 0.00 0.00 62.75 59.74 3hg0 n ILE 79 Cb 0.18 -0.27 -0.00 0.00 -1.74 0.00 0.00 39.64 37.81 3hg0 n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hg0 n GLY 80 N -1.12 0.39 3.76 3.28 0.00 -0.37 -2.42 105.19 108.72 3hg0 n GLY 80 Ca 0.23 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 3hg0 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hg0 s GLU 81 N -1.89 4.26 0.54 1.61 2.02 -1.26 -3.89 118.70 120.09 3hg0 s GLU 81 Ca 0.00 0.56 0.02 0.00 0.02 0.00 0.00 54.97 55.57 3hg0 s GLU 81 Cb 0.00 -3.36 0.03 0.00 0.10 0.00 0.00 34.13 30.90 3hg0 s GLU 81 CO 0.00 0.34 0.76 0.95 0.02 0.00 0.00 175.26 177.33 3hg0 s THR 82 N -0.00 2.69 0.23 3.63 -4.23 -1.26 -1.98 115.64 114.71 3hg0 s THR 82 Ca 0.28 -0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 3hg0 s THR 82 Cb -0.17 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.86 3hg0 s THR 82 CO 0.14 0.00 1.72 -0.65 -0.54 0.00 0.00 174.62 175.29 3hg0 h PRO 83 N 0.11 0.34 -0.52 3.99 0.11 -1.78 -1.96 132.00 132.30 3hg0 h PRO 83 Ca -0.42 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.75 3hg0 h PRO 83 Cb 1.30 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3hg0 h PRO 83 CO 0.51 0.23 0.14 1.25 -0.21 0.00 0.00 178.00 179.92 3hg0 h LEU 84 N 0.35 0.08 -0.84 2.35 5.85 -1.94 0.63 115.31 121.80 3hg0 h LEU 84 Ca 0.36 0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.35 3hg0 h LEU 84 Cb 0.54 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 3hg0 h LEU 84 CO -0.40 0.07 0.34 0.45 -0.34 0.00 0.00 178.44 178.56 3hg0 h HIS 85 N 0.29 0.57 0.03 1.25 3.86 -1.73 0.18 115.15 119.61 3hg0 h HIS 85 Ca 0.26 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3hg0 h HIS 85 Cb 0.32 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3hg0 h HIS 85 CO -0.20 -0.01 -0.02 -0.07 0.86 0.00 0.00 177.93 178.50 3hg0 h LEU 86 N 0.41 -0.04 -2.08 2.43 4.07 -0.73 -1.65 115.31 117.73 3hg0 h LEU 86 Ca 0.50 -0.59 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 3hg0 h LEU 86 Cb 0.87 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 3hg0 h LEU 86 CO -0.49 0.59 -0.08 -0.37 -1.08 0.00 0.00 178.44 177.01 3hg0 h VAL 87 N -0.69 0.46 -0.20 1.22 -1.51 -0.99 -0.35 116.25 114.19 3hg0 h VAL 87 Ca -0.00 -0.39 -0.06 0.00 -1.23 0.00 0.00 66.70 65.01 3hg0 h VAL 87 Cb 0.62 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 3hg0 h VAL 87 CO 0.01 0.08 -0.09 0.00 -1.23 0.00 0.00 177.57 176.33 3hg0 h ALA 88 N 1.92 0.29 -0.13 5.19 0.00 -0.80 0.12 119.26 125.85 3hg0 h ALA 88 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3hg0 h ALA 88 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hg0 h ALA 88 CO 0.01 0.12 -0.24 1.98 0.00 0.00 0.00 179.25 181.11 3hg0 h MET 89 N 0.12 0.23 0.00 0.00 -1.53 -0.15 -2.83 114.93 110.78 3hg0 h MET 89 Ca 0.05 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 3hg0 h MET 89 Cb 0.58 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.61 3hg0 h MET 89 CO 0.03 0.47 -0.98 0.66 0.14 0.00 0.00 176.91 177.23 3hg0 n TYR 90 N -4.17 0.29 -2.66 1.39 4.01 -0.30 -4.99 117.16 110.73 3hg0 n TYR 90 Ca -0.01 0.08 -0.08 0.00 -0.16 0.00 0.00 57.90 57.73 3hg0 n TYR 90 Cb 0.35 -0.45 0.02 0.00 -0.31 0.00 0.00 39.34 38.95 3hg0 n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hg0 n GLY 91 N 1.37 0.32 3.35 2.72 0.00 0.37 -4.96 105.19 108.36 3hg0 n GLY 91 Ca 0.02 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 3hg0 n GLY 91 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hg0 n HIS 92 N -3.57 4.60 -0.31 1.61 8.25 -0.89 -4.88 115.22 120.03 3hg0 n HIS 92 Ca -0.02 -3.26 0.19 0.00 -0.26 0.00 0.00 57.72 54.37 3hg0 n HIS 92 Cb 0.53 -2.14 0.46 0.00 1.12 0.00 0.00 29.99 29.96 3hg0 n HIS 92 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hg0 h LEU 93 N 9.35 0.53 -0.64 2.41 3.38 -1.93 -0.53 115.31 127.87 3hg0 h LEU 93 Ca 0.33 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.24 3hg0 h LEU 93 Cb 0.83 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3hg0 h LEU 93 CO 1.32 0.15 -0.67 1.05 0.09 0.00 0.00 178.44 180.38 3hg0 h GLU 94 N 0.50 0.04 -0.33 1.13 4.11 -1.99 -1.75 114.58 116.29 3hg0 h GLU 94 Ca 0.56 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.79 3hg0 h GLU 94 Cb 1.26 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3hg0 h GLU 94 CO -0.29 0.70 -0.45 0.82 0.07 0.00 0.00 179.01 179.85 3hg0 h ILE 95 N 0.03 1.28 -0.91 -1.06 1.08 -1.59 -2.64 117.51 113.70 3hg0 h ILE 95 Ca -0.01 -1.63 0.19 0.00 -0.39 0.00 0.00 64.86 63.01 3hg0 h ILE 95 Cb 1.19 1.50 -0.11 0.00 -3.07 0.00 0.00 36.82 36.33 3hg0 h ILE 95 CO 0.09 0.54 0.47 0.58 -0.69 0.00 0.00 178.15 179.14 3hg0 h VAL 96 N 0.68 0.63 -0.11 1.67 2.07 -0.54 -1.70 116.25 118.95 3hg0 h VAL 96 Ca 0.04 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3hg0 h VAL 96 Cb 1.04 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3hg0 h VAL 96 CO 0.10 0.11 -0.13 -0.33 0.02 0.00 0.00 177.57 177.34 3hg0 h GLU 97 N 0.58 0.29 -0.81 1.57 5.08 -1.18 -2.29 114.58 117.81 3hg0 h GLU 97 Ca 0.53 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.81 3hg0 h GLU 97 Cb 0.88 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 3hg0 h GLU 97 CO -0.43 0.71 0.53 -0.24 -1.00 0.00 0.00 179.01 178.58 3hg0 h VAL 98 N -0.12 1.00 -0.26 3.13 3.04 -1.09 -0.19 116.25 121.76 3hg0 h VAL 98 Ca 0.02 -0.29 -0.06 0.00 -1.01 0.00 0.00 66.70 65.36 3hg0 h VAL 98 Cb 0.66 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.03 3hg0 h VAL 98 CO 0.03 0.15 -0.08 -0.07 -1.01 0.00 0.00 177.57 176.59 3hg0 h LEU 99 N 0.83 0.52 -0.79 3.16 3.38 -1.19 -2.60 115.31 118.62 3hg0 h LEU 99 Ca 0.36 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3hg0 h LEU 99 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hg0 h LEU 99 CO -0.14 0.78 -0.00 -0.07 0.09 0.00 0.00 178.44 179.10 3hg0 h LEU 100 N 0.26 0.89 -2.68 1.67 3.38 -0.80 -0.02 115.31 118.00 3hg0 h LEU 100 Ca 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hg0 h LEU 100 Cb 0.56 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hg0 h LEU 100 CO 0.03 0.95 0.02 0.50 0.09 0.00 0.00 178.44 180.02 3hg0 h LYS 101 N 0.84 0.00 -0.44 1.13 3.64 -0.85 -0.99 116.57 119.90 3hg0 h LYS 101 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3hg0 h LYS 101 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3hg0 h LYS 101 CO 0.02 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.92 3hg0 n HIS 102 N -2.93 1.27 -1.04 1.91 8.25 -0.17 -4.93 115.22 117.57 3hg0 n HIS 102 Ca -0.03 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 3hg0 n HIS 102 Cb 0.08 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.88 3hg0 n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hg0 n GLY 103 N 0.27 0.63 3.65 -1.41 0.00 -0.38 -4.88 105.19 103.08 3hg0 n GLY 103 Ca 0.23 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3hg0 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg0 n ALA 104 N -0.25 0.61 -2.79 4.61 0.00 -0.34 -4.85 120.51 117.49 3hg0 n ALA 104 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 3hg0 n ALA 104 Cb 0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.41 3hg0 n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hg0 s ASP 105 N -0.32 6.23 0.18 0.00 2.15 -1.26 -4.79 116.67 118.86 3hg0 s ASP 105 Ca 0.59 -1.01 0.10 0.00 0.43 0.00 0.00 52.55 52.66 3hg0 s ASP 105 Cb -0.64 -2.45 0.56 0.00 -0.30 0.00 0.00 42.92 40.09 3hg0 s ASP 105 CO 0.60 -1.48 1.25 1.33 -0.17 0.00 0.00 175.17 176.69 3hg0 n VAL 106 N 6.01 1.21 0.88 1.11 0.24 -1.26 -1.51 118.33 125.01 3hg0 n VAL 106 Ca 0.02 0.64 0.10 0.00 -2.04 0.00 0.00 64.34 63.06 3hg0 n VAL 106 Cb 0.47 -1.64 -0.10 0.00 -1.47 0.00 0.00 33.84 31.10 3hg0 n VAL 106 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3hg0 n ASN 107 N -1.84 0.86 -4.56 -1.34 5.03 -1.26 -4.42 115.26 107.72 3hg0 n ASN 107 Ca -0.01 -0.83 -0.47 0.00 0.87 0.00 0.00 54.58 54.14 3hg0 n ASN 107 Cb 0.12 1.06 -0.03 0.00 -1.02 0.00 0.00 39.78 39.91 3hg0 n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hg0 n ALA 108 N -1.59 -0.83 -2.78 5.41 0.00 -0.57 -4.90 120.51 115.25 3hg0 n ALA 108 Ca 0.03 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.57 3hg0 n ALA 108 Cb 0.36 -1.98 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 3hg0 n ALA 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3hg0 s GLN 109 N -0.84 3.31 0.00 0.00 0.74 -1.26 -4.30 119.66 117.30 3hg0 s GLN 109 Ca 0.67 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.63 3hg0 s GLN 109 Cb -0.81 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 30.44 3hg0 s GLN 109 CO 0.55 0.49 0.00 -0.40 -0.55 0.00 0.00 175.29 175.38 3hg0 n ASP 110 N 2.80 0.00 0.15 6.67 5.75 -0.19 -4.87 116.55 126.85 3hg0 n ASP 110 Ca -0.18 -0.22 0.13 0.00 -0.01 0.00 0.00 54.79 54.51 3hg0 n ASP 110 Cb 0.53 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.98 3hg0 n ASP 110 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3hg0 h LYS 111 N 0.00 0.00 -0.60 0.11 1.57 -1.71 -2.20 116.57 113.74 3hg0 h LYS 111 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 3hg0 h LYS 111 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 3hg0 h LYS 111 CO 0.00 0.00 0.21 1.19 -0.57 0.00 0.00 179.45 180.28 3hg0 n PHE 112 N -2.52 1.90 -4.01 -1.35 3.72 -1.26 -4.91 117.46 109.03 3hg0 n PHE 112 Ca 0.05 -1.47 -0.33 0.00 -0.05 0.00 0.00 57.45 55.65 3hg0 n PHE 112 Cb 0.43 -0.63 -0.01 0.00 -0.94 0.00 0.00 39.48 38.33 3hg0 n PHE 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg0 n GLY 113 N -0.82 -0.47 3.84 1.37 0.00 -0.83 -4.95 105.19 103.33 3hg0 n GLY 113 Ca 0.40 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 3hg0 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg0 s LYS 114 N -6.71 3.73 0.40 1.61 3.01 -1.26 -4.81 119.74 115.71 3hg0 s LYS 114 Ca 0.67 0.02 0.08 0.00 -1.01 0.00 0.00 55.97 55.73 3hg0 s LYS 114 Cb -0.36 -3.25 -0.03 0.00 -1.01 0.00 0.00 37.83 33.18 3hg0 s LYS 114 CO 0.83 0.65 0.31 0.95 0.51 0.00 0.00 175.35 178.60 3hg0 s THR 115 N -0.72 2.77 0.36 2.17 -4.23 -1.26 -1.03 115.64 113.70 3hg0 s THR 115 Ca 0.17 -1.44 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 3hg0 s THR 115 Cb -0.13 -3.03 0.33 0.00 1.34 0.00 0.00 72.50 71.01 3hg0 s THR 115 CO 0.06 -0.05 1.85 0.00 -0.54 0.00 0.00 174.62 175.94 3hg0 h ALA 116 N 1.18 1.86 -0.35 3.99 0.00 -1.79 -0.45 119.26 123.70 3hg0 h ALA 116 Ca -0.42 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3hg0 h ALA 116 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hg0 h ALA 116 CO 0.60 -0.12 -0.05 0.35 0.00 0.00 0.00 179.25 180.03 3hg0 h PHE 117 N 0.67 0.73 -0.74 0.00 3.57 -1.95 -1.38 116.94 117.83 3hg0 h PHE 117 Ca 0.47 -0.15 0.19 0.00 3.53 0.00 0.00 57.97 62.01 3hg0 h PHE 117 Cb 0.80 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3hg0 h PHE 117 CO -0.00 0.80 0.51 -0.44 -2.23 0.00 0.00 178.31 176.95 3hg0 h ASP 118 N 0.45 0.17 0.03 0.41 5.19 -1.49 -1.44 116.42 119.75 3hg0 h ASP 118 Ca 0.09 0.01 -0.26 0.00 -0.62 0.00 0.00 57.03 56.26 3hg0 h ASP 118 Cb 0.54 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.05 3hg0 h ASP 118 CO 0.03 0.08 -1.02 0.40 -3.12 0.00 0.00 179.24 175.60 3hg0 h ILE 119 N 0.18 1.30 -0.06 0.35 2.04 -0.80 -1.50 117.51 119.02 3hg0 h ILE 119 Ca 0.36 -2.27 0.02 0.00 1.00 0.00 0.00 64.86 63.97 3hg0 h ILE 119 Cb 1.17 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 3hg0 h ILE 119 CO -0.06 0.69 0.04 0.77 0.00 0.00 0.00 178.15 179.59 3hg0 h SER 120 N 0.28 0.00 0.12 1.72 4.64 -0.37 -0.85 113.55 119.09 3hg0 h SER 120 Ca -0.14 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.01 3hg0 h SER 120 Cb 1.69 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.80 3hg0 h SER 120 CO 0.20 0.00 -0.77 0.40 -0.87 0.00 0.00 176.83 175.79 3hg0 h ILE 121 N 0.00 1.51 -0.82 0.95 1.08 -1.08 -2.25 117.51 116.91 3hg0 h ILE 121 Ca 0.03 -2.47 0.02 0.00 -0.39 0.00 0.00 64.86 62.04 3hg0 h ILE 121 Cb 0.11 3.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.95 3hg0 h ILE 121 CO -0.00 0.70 0.54 0.44 -0.69 0.00 0.00 178.15 179.14 3hg0 h ASP 122 N -0.35 0.92 -0.69 1.72 3.32 -0.51 -2.00 116.42 118.83 3hg0 h ASP 122 Ca -0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3hg0 h ASP 122 Cb 1.58 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3hg0 h ASP 122 CO 0.15 0.66 0.00 -0.46 -1.72 0.00 0.00 179.24 177.86 3hg0 n ASN 123 N -4.42 4.48 -2.90 6.45 2.04 -0.39 -4.95 115.26 115.57 3hg0 n ASN 123 Ca 0.10 -2.27 -0.11 0.00 -0.44 0.00 0.00 54.58 51.85 3hg0 n ASN 123 Cb 0.05 -0.55 -0.01 0.00 -2.53 0.00 0.00 39.78 36.74 3hg0 n ASN 123 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hg0 n GLY 124 N 1.35 -0.48 3.55 4.83 0.00 -0.75 -4.87 105.19 108.82 3hg0 n GLY 124 Ca 0.26 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3hg0 n GLY 124 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hg0 s ASN 125 N -2.28 5.93 0.15 1.61 3.84 -0.87 -4.87 114.94 118.44 3hg0 s ASN 125 Ca 0.17 -0.14 -0.09 0.00 0.21 0.00 0.00 52.86 53.01 3hg0 s ASN 125 Cb -0.10 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.04 3hg0 s ASN 125 CO 0.21 -1.96 1.47 -0.33 -2.79 0.00 0.00 177.10 173.70 3hg0 h GLU 126 N 11.45 0.85 -0.39 0.43 5.08 -1.89 -2.48 114.58 127.63 3hg0 h GLU 126 Ca -0.27 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.63 3hg0 h GLU 126 Cb 1.08 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3hg0 h GLU 126 CO 1.25 1.12 0.20 -0.44 -1.00 0.00 0.00 179.01 180.14 3hg0 h ASP 127 N 0.68 0.31 -0.15 1.42 3.32 -1.98 0.18 116.42 120.19 3hg0 h ASP 127 Ca 0.04 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3hg0 h ASP 127 Cb 1.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 3hg0 h ASP 127 CO 0.10 0.22 0.01 0.25 -1.72 0.00 0.00 179.24 178.10 3hg0 h LEU 128 N 0.41 0.26 -0.76 1.55 5.85 -1.95 -1.70 115.31 118.97 3hg0 h LEU 128 Ca 0.16 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3hg0 h LEU 128 Cb 0.06 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3hg0 h LEU 128 CO -0.10 0.50 0.48 0.00 -0.34 0.00 0.00 178.44 178.97 3hg0 h ALA 129 N 0.77 1.00 -0.45 1.25 0.00 -1.33 0.85 119.26 121.36 3hg0 h ALA 129 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hg0 h ALA 129 Cb 0.36 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 3hg0 h ALA 129 CO 0.01 0.27 -0.54 1.49 0.00 0.00 0.00 179.25 180.47 3hg0 h GLU 130 N 0.93 -0.34 -0.20 0.00 4.81 0.03 0.56 114.58 120.36 3hg0 h GLU 130 Ca 0.31 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.38 3hg0 h GLU 130 Cb 0.03 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hg0 h GLU 130 CO -0.12 -0.23 -0.61 -0.84 -0.73 0.00 0.00 179.01 176.48 3hg0 h ILE 131 N -0.35 1.30 0.28 2.32 3.07 -0.79 -2.02 117.51 121.32 3hg0 h ILE 131 Ca 0.08 -1.85 0.01 0.00 1.55 0.00 0.00 64.86 64.64 3hg0 h ILE 131 Cb 0.56 1.80 -0.03 0.00 -0.27 0.00 0.00 36.82 38.88 3hg0 h ILE 131 CO -0.61 0.58 -0.38 -0.07 -1.05 0.00 0.00 178.15 176.63 3hg0 h LEU 132 N 0.51 -1.07 0.12 0.16 3.38 -0.46 -2.83 115.31 115.12 3hg0 h LEU 132 Ca -0.01 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hg0 h LEU 132 Cb 1.20 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 3hg0 h LEU 132 CO 0.12 -0.50 -0.45 -0.61 0.09 0.00 0.00 178.44 177.10 3hg0 h GLN 133 N -0.72 -0.62 -0.55 1.13 5.75 0.35 -1.23 115.11 119.21 3hg0 h GLN 133 Ca -0.01 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.60 3hg0 h GLN 133 Cb 0.68 0.14 -0.08 0.00 1.07 0.00 0.00 27.48 29.30 3hg0 h GLN 133 CO -0.13 -0.41 -0.28 1.17 -2.65 0.00 0.00 178.83 176.53 3hg0 n LYS 134 N -4.99 -0.20 0.00 1.69 4.81 -0.78 -5.10 118.16 113.59 3hg0 n LYS 134 Ca -0.07 0.84 0.14 0.00 -0.87 0.00 0.00 58.31 58.35 3hg0 n LYS 134 Cb 0.35 -1.24 0.82 0.00 0.02 0.00 0.00 35.03 34.98 3hg0 n LYS 134 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85