#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hu5 s ARG 7 N 0.00 3.43 -0.23 1.20 0.52 -1.26 -5.04 118.95 117.57 3hu5 s ARG 7 Ca 0.00 0.98 0.02 0.00 -0.52 0.00 0.00 55.73 56.21 3hu5 s ARG 7 Cb 0.00 -2.06 0.05 0.00 0.52 0.00 0.00 34.95 33.46 3hu5 s ARG 7 CO 0.00 -0.71 -0.13 0.99 0.02 0.00 0.00 175.30 175.47 3hu5 s THR 8 N -2.81 2.05 -0.02 0.02 2.01 -1.26 -5.01 115.64 110.62 3hu5 s THR 8 Ca 0.59 -1.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 3hu5 s THR 8 Cb -0.13 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3hu5 s THR 8 CO 0.44 0.16 0.05 -0.69 -0.69 0.00 0.00 174.62 173.89 3hu5 s VAL 9 N 1.20 4.51 0.00 3.82 1.01 -1.26 -1.31 120.40 128.38 3hu5 s VAL 9 Ca -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3hu5 s VAL 9 Cb -0.17 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3hu5 s VAL 9 CO -0.08 0.40 -0.11 0.00 0.00 0.00 0.00 175.10 175.31 3hu5 s ALA 10 N -1.11 0.92 -0.21 5.51 0.00 -0.44 -4.65 121.76 121.79 3hu5 s ALA 10 Ca 0.20 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 3hu5 s ALA 10 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3hu5 s ALA 10 CO 0.11 0.20 0.08 -1.17 0.00 0.00 0.00 175.76 174.98 3hu5 s LEU 11 N -0.51 3.79 -0.19 0.00 2.96 -1.26 0.03 118.68 123.50 3hu5 s LEU 11 Ca 0.03 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3hu5 s LEU 11 Cb -0.05 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3hu5 s LEU 11 CO -0.00 0.11 0.08 0.00 -1.32 0.00 0.00 176.35 175.22 3hu5 s ALA 12 N 0.74 3.45 -0.26 5.97 0.00 0.18 -0.25 121.76 131.59 3hu5 s ALA 12 Ca 0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 3hu5 s ALA 12 Cb -0.13 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.02 3hu5 s ALA 12 CO 0.02 0.12 -0.03 0.42 0.00 0.00 0.00 175.76 176.29 3hu5 s ILE 13 N 0.47 3.15 -0.20 0.00 1.01 -0.33 -1.32 121.20 123.96 3hu5 s ILE 13 Ca 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 3hu5 s ILE 13 Cb -0.12 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3hu5 s ILE 13 CO 0.00 0.18 -0.03 -0.63 0.00 0.00 0.00 174.94 174.46 3hu5 s ILE 14 N 1.37 3.57 0.20 2.92 1.01 0.07 -1.02 121.20 129.33 3hu5 s ILE 14 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3hu5 s ILE 14 Cb -0.17 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.69 3hu5 s ILE 14 CO -0.03 0.43 0.00 0.47 0.00 0.00 0.00 174.94 175.81 3hu5 n ASP 15 N 4.48 -8.12 0.00 3.58 8.00 0.43 -0.95 116.55 123.96 3hu5 n ASP 15 Ca -0.18 1.38 0.00 0.00 0.71 0.00 0.00 54.79 56.70 3hu5 n ASP 15 Cb 0.51 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 3hu5 n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hu5 n GLN 17 N 1.85 0.00 -0.15 -1.24 6.02 -1.26 -4.62 117.38 117.97 3hu5 n GLN 17 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3hu5 n GLN 17 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 3hu5 n GLN 17 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3hu5 h ASN 18 N 0.00 0.38 0.00 1.08 2.35 -0.93 -0.35 115.58 118.11 3hu5 h ASN 18 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3hu5 h ASN 18 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3hu5 h ASN 18 CO 0.00 0.27 0.02 0.44 -1.65 0.00 0.00 177.43 176.50 3hu5 h ASP 19 N 0.50 0.00 0.00 5.81 3.32 -1.33 -1.57 116.42 123.15 3hu5 h ASP 19 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hu5 h ASP 19 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hu5 h ASP 19 CO -0.13 0.00 -1.42 0.49 -1.72 0.00 0.00 179.24 176.47 3hu5 n PHE 20 N -2.69 0.00 -0.08 4.55 3.72 -0.21 -2.49 117.46 120.26 3hu5 n PHE 20 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 3hu5 n PHE 20 Cb 0.07 -0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 38.29 3hu5 n PHE 20 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hu5 n VAL 21 N -1.84 0.92 -1.93 -4.37 0.31 -0.73 0.54 118.33 111.23 3hu5 n VAL 21 Ca -0.01 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.59 3hu5 n VAL 21 Cb 0.37 -1.29 -0.02 0.00 -0.91 0.00 0.00 33.84 31.98 3hu5 n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hu5 s LEU 22 N -6.27 4.37 0.24 7.52 1.43 -0.67 -4.70 118.68 120.60 3hu5 s LEU 22 Ca -0.22 2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.27 3hu5 s LEU 22 Cb 0.07 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.54 3hu5 s LEU 22 CO 0.34 -0.80 1.42 -0.81 0.23 0.00 0.00 176.35 176.73 3hu5 n PRO 23 N 3.05 2.05 -0.96 1.29 -0.04 -1.26 -1.13 135.00 138.00 3hu5 n PRO 23 Ca 0.10 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3hu5 n PRO 23 Cb 0.39 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3hu5 n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hu5 n GLY 24 N 2.19 0.74 3.79 0.55 0.00 -1.26 -5.02 105.19 106.17 3hu5 n GLY 24 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3hu5 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu5 s ALA 25 N -3.07 2.35 0.00 4.61 0.00 -0.28 -4.97 121.76 120.40 3hu5 s ALA 25 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3hu5 s ALA 25 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3hu5 s ALA 25 CO 0.00 -1.60 0.29 -2.30 0.00 0.00 0.00 175.76 172.15 3hu5 n PRO 26 N -3.39 0.00 -1.76 0.00 -0.02 -1.26 -2.81 135.00 125.76 3hu5 n PRO 26 Ca 0.08 0.29 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 3hu5 n PRO 26 Cb 0.54 -0.62 0.05 0.00 -0.02 0.00 0.00 33.50 33.45 3hu5 n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hu5 n ALA 27 N -0.93 6.33 -1.67 3.55 0.00 -1.04 -5.02 120.51 121.74 3hu5 n ALA 27 Ca 0.00 -3.91 -0.46 0.00 0.00 0.00 0.00 53.44 49.07 3hu5 n ALA 27 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 3hu5 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hu5 s VAL 29 N 0.77 5.16 0.27 0.00 1.01 0.19 -4.96 120.40 122.84 3hu5 s VAL 29 Ca 0.77 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.96 3hu5 s VAL 29 Cb -0.68 -3.79 0.25 0.00 0.00 0.00 0.00 36.38 32.17 3hu5 s VAL 29 CO 0.40 -0.02 1.76 -0.33 0.00 0.00 0.00 175.10 176.90 3hu5 h GLU 30 N 8.38 0.59 0.00 2.72 3.07 -1.78 -0.44 114.58 127.12 3hu5 h GLU 30 Ca -0.30 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3hu5 h GLU 30 Cb 1.15 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3hu5 h GLU 30 CO 0.68 0.39 -0.02 0.41 -1.40 0.00 0.00 179.01 179.06 3hu5 n GLY 31 N -1.33 -1.50 0.82 -3.84 0.00 -0.71 -4.66 105.19 93.98 3hu5 n GLY 31 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hu5 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu5 n ALA 32 N -1.51 1.59 0.00 4.61 0.00 -0.18 -3.24 120.51 121.78 3hu5 n ALA 32 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3hu5 n ALA 32 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3hu5 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 34 N 0.71 0.00 0.01 0.00 0.00 -1.26 -3.35 105.19 101.30 3hu5 n GLY 34 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3hu5 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hu5 n THR 35 N 0.00 0.00 -0.36 2.61 -2.24 -1.20 -4.23 114.28 108.86 3hu5 n THR 35 Ca 0.00 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 3hu5 n THR 35 Cb 0.00 -0.29 0.12 0.00 -2.10 0.00 0.00 70.33 68.06 3hu5 n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3hu5 h VAL 36 N 0.04 1.21 0.00 2.28 2.07 -1.88 -0.75 116.25 119.22 3hu5 h VAL 36 Ca 0.00 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3hu5 h VAL 36 Cb 0.47 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3hu5 h VAL 36 CO 0.00 0.23 -0.32 -0.65 0.02 0.00 0.00 177.57 176.85 3hu5 h PRO 37 N 1.26 0.00 -0.43 1.57 0.11 -1.94 -0.11 132.00 132.46 3hu5 h PRO 37 Ca 0.37 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.44 3hu5 h PRO 37 Cb -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3hu5 h PRO 37 CO -0.10 0.32 0.10 0.28 -0.21 0.00 0.00 178.00 178.39 3hu5 h VAL 38 N 0.00 1.23 -0.57 3.15 2.07 -1.44 -1.46 116.25 119.24 3hu5 h VAL 38 Ca -0.00 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3hu5 h VAL 38 Cb 0.66 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3hu5 h VAL 38 CO 0.04 0.28 0.19 0.40 0.02 0.00 0.00 177.57 178.50 3hu5 h ILE 39 N 0.55 1.22 -0.77 4.57 2.04 -1.16 0.38 117.51 124.34 3hu5 h ILE 39 Ca 0.13 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3hu5 h ILE 39 Cb 0.32 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3hu5 h ILE 39 CO 0.00 0.28 0.30 0.00 0.00 0.00 0.00 178.15 178.74 3hu5 h ALA 40 N 1.38 1.09 -0.71 1.87 0.00 -0.83 -0.63 119.26 121.43 3hu5 h ALA 40 Ca 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hu5 h ALA 40 Cb 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hu5 h ALA 40 CO -0.01 0.65 0.27 0.78 0.00 0.00 0.00 179.25 180.94 3hu5 h GLY 41 N 1.14 1.14 1.73 0.00 0.00 -0.60 -1.90 103.07 104.59 3hu5 h GLY 41 Ca 0.26 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3hu5 h GLY 41 CO -0.02 0.59 -0.08 -2.00 0.00 0.00 0.00 176.54 175.03 3hu5 h LEU 42 N 1.01 0.31 -0.09 3.11 5.85 -0.17 -1.47 115.31 123.87 3hu5 h LEU 42 Ca 0.23 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3hu5 h LEU 42 Cb 0.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3hu5 h LEU 42 CO -0.02 0.43 -0.31 0.25 -0.34 0.00 0.00 178.44 178.45 3hu5 h LEU 43 N 0.32 0.44 -0.69 2.25 5.85 -0.94 -0.47 115.31 122.06 3hu5 h LEU 43 Ca 0.07 -0.62 0.10 0.00 0.84 0.00 0.00 57.88 58.28 3hu5 h LEU 43 Cb 0.35 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3hu5 h LEU 43 CO 0.02 0.98 0.30 0.00 -0.34 0.00 0.00 178.44 179.40 3hu5 h ALA 44 N 0.47 0.94 -0.03 1.25 0.00 -1.26 0.22 119.26 120.85 3hu5 h ALA 44 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hu5 h ALA 44 Cb 0.94 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hu5 h ALA 44 CO 0.07 -0.13 0.02 -0.22 0.00 0.00 0.00 179.25 178.99 3hu5 h LYS 45 N 0.51 0.04 -0.59 0.00 3.64 -0.97 -0.98 116.57 118.21 3hu5 h LYS 45 Ca 0.35 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.84 3hu5 h LYS 45 Cb 0.43 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.15 3hu5 h LYS 45 CO -0.31 0.09 0.08 0.00 -2.27 0.00 0.00 179.45 177.04 3hu5 h ALA 46 N 0.95 0.66 -0.41 5.00 0.00 -0.54 -0.94 119.26 123.97 3hu5 h ALA 46 Ca 0.01 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3hu5 h ALA 46 Cb 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hu5 h ALA 46 CO -0.00 -0.34 0.02 0.00 0.00 0.00 0.00 179.25 178.92 3hu5 h ARG 47 N 0.20 0.65 -0.40 0.00 3.08 -0.35 -0.11 114.38 117.44 3hu5 h ARG 47 Ca 0.31 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 3hu5 h ARG 47 Cb 0.48 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3hu5 h ARG 47 CO -0.44 0.65 -0.31 0.00 -1.07 0.00 0.00 179.97 178.81 3hu5 h ALA 48 N 1.41 0.58 0.00 0.04 0.00 -0.29 -3.08 119.26 117.92 3hu5 h ALA 48 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hu5 h ALA 48 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hu5 h ALA 48 CO 0.01 0.63 -0.19 0.39 0.00 0.00 0.00 179.25 180.09 3hu5 n GLU 49 N -4.12 0.13 -1.50 0.00 -0.58 -0.44 -4.94 120.64 109.19 3hu5 n GLU 49 Ca -0.02 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 3hu5 n GLU 49 Cb 0.50 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3hu5 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hu5 n GLY 50 N 1.41 0.39 0.00 0.62 0.00 -0.17 -5.07 105.19 102.38 3hu5 n GLY 50 Ca 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3hu5 n GLY 50 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hu5 n TRP 51 N -3.49 0.00 -3.60 1.61 8.01 -0.54 -5.00 117.44 114.42 3hu5 n TRP 51 Ca 0.00 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.16 3hu5 n TRP 51 Cb 0.26 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.50 3hu5 n TRP 51 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3hu5 s VAL 53 N 0.00 -0.37 -0.27 -0.99 1.01 -1.26 -4.76 120.40 113.76 3hu5 s VAL 53 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3hu5 s VAL 53 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.42 3hu5 s VAL 53 CO 0.00 0.00 -0.03 -0.76 0.00 0.00 0.00 175.10 174.31 3hu5 s LEU 54 N 2.07 3.51 -0.38 3.92 1.02 0.65 -1.11 118.68 128.36 3hu5 s LEU 54 Ca -0.07 -1.05 -0.23 0.00 0.02 0.00 0.00 54.13 52.79 3hu5 s LEU 54 Cb -0.07 -1.69 0.01 0.00 0.02 0.00 0.00 46.19 44.47 3hu5 s LEU 54 CO -0.18 -0.19 0.79 -1.00 0.02 0.00 0.00 176.35 175.79 3hu5 s HIS 55 N 1.29 3.09 -0.32 0.29 3.76 0.97 -1.19 115.29 123.18 3hu5 s HIS 55 Ca -0.02 0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 55.26 3hu5 s HIS 55 Cb -0.18 -3.46 -0.02 0.00 1.11 0.00 0.00 32.58 30.04 3hu5 s HIS 55 CO -0.03 -0.78 0.19 0.08 -0.85 0.00 0.00 174.74 173.34 3hu5 s VAL 56 N 3.15 4.93 0.15 -0.90 1.01 -0.19 -0.59 120.40 127.96 3hu5 s VAL 56 Ca 0.31 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3hu5 s VAL 56 Cb -0.13 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3hu5 s VAL 56 CO 0.18 0.07 -0.05 0.68 0.00 0.00 0.00 175.10 175.98 3hu5 s VAL 57 N 1.67 0.90 0.22 2.92 -7.23 -0.23 -0.43 120.40 118.23 3hu5 s VAL 57 Ca 0.06 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 3hu5 s VAL 57 Cb -0.17 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.76 3hu5 s VAL 57 CO 0.08 -0.64 0.48 -0.13 -0.31 0.00 0.00 175.10 174.58 3hu5 s ARG 58 N -3.83 3.66 -0.47 4.82 0.52 -1.26 -1.04 118.95 121.35 3hu5 s ARG 58 Ca 0.19 0.01 0.06 0.00 -0.52 0.00 0.00 55.73 55.47 3hu5 s ARG 58 Cb 0.05 -2.73 0.23 0.00 0.52 0.00 0.00 34.95 33.02 3hu5 s ARG 58 CO 0.01 0.34 0.75 0.00 0.02 0.00 0.00 175.30 176.43 3hu5 n ALA 59 N -0.38 -0.40 -1.77 2.13 0.00 -1.25 -4.87 120.51 113.97 3hu5 n ALA 59 Ca -0.02 -1.88 -0.39 0.00 0.00 0.00 0.00 53.44 51.16 3hu5 n ALA 59 Cb 0.53 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 3hu5 n ALA 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hu5 s HIS 60 N 0.27 3.23 0.38 0.00 3.76 0.66 -4.25 115.29 119.35 3hu5 s HIS 60 Ca 0.32 1.60 -0.28 0.00 -0.15 0.00 0.00 55.06 56.55 3hu5 s HIS 60 Cb 0.17 -3.34 -0.11 0.00 1.11 0.00 0.00 32.58 30.41 3hu5 s HIS 60 CO -0.19 -1.05 1.46 1.03 -0.85 0.00 0.00 174.74 175.15 3hu5 s ARG 61 N -2.09 4.10 0.46 1.40 0.52 -1.26 -0.53 118.95 121.56 3hu5 s ARG 61 Ca 0.53 2.52 0.21 0.00 -0.52 0.00 0.00 55.73 58.48 3hu5 s ARG 61 Cb -0.30 -2.96 1.14 0.00 0.52 0.00 0.00 34.95 33.36 3hu5 s ARG 61 CO 0.38 -0.52 1.97 0.00 0.02 0.00 0.00 175.30 177.16 3hu5 h ALA 62 N 2.99 1.36 0.00 2.13 0.00 -1.93 -0.77 119.26 123.03 3hu5 h ALA 62 Ca -0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hu5 h ALA 62 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hu5 h ALA 62 CO 0.64 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.74 3hu5 n ASP 63 N -3.85 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 112.27 3hu5 n ASP 63 Ca -0.02 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 3hu5 n ASP 63 Cb 0.30 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 3hu5 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hu5 n GLY 64 N 0.85 0.83 0.25 6.12 0.00 -0.30 -4.82 105.19 108.13 3hu5 n GLY 64 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 3hu5 n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hu5 h SER 65 N 0.00 0.00 -0.31 1.61 4.64 -1.91 -2.50 113.55 115.08 3hu5 h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hu5 h SER 65 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hu5 h SER 65 CO 0.00 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.15 3hu5 n ASP 66 N -3.22 2.98 -4.80 4.97 5.68 -1.26 -5.01 116.55 115.89 3hu5 n ASP 66 Ca 0.01 -2.14 -0.34 0.00 -0.50 0.00 0.00 54.79 51.82 3hu5 n ASP 66 Cb 0.36 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 3hu5 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hu5 s ALA 67 N -1.25 2.87 0.45 2.12 0.00 -0.94 -4.83 121.76 120.18 3hu5 s ALA 67 Ca 0.24 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 3hu5 s ALA 67 Cb 0.14 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 3hu5 s ALA 67 CO 0.14 -0.36 1.39 0.39 0.00 0.00 0.00 175.76 177.31 3hu5 n GLU 68 N -1.17 2.12 -0.30 0.00 1.02 -1.26 -4.76 120.64 116.28 3hu5 n GLU 68 Ca 0.09 0.76 0.09 0.00 -0.02 0.00 0.00 57.16 58.07 3hu5 n GLU 68 Cb 0.53 -2.57 0.25 0.00 -0.02 0.00 0.00 31.44 29.63 3hu5 n GLU 68 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hu5 h LYS 69 N 2.15 0.57 0.00 3.49 1.57 -1.96 -0.38 116.57 122.01 3hu5 h LYS 69 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3hu5 h LYS 69 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3hu5 h LYS 69 CO 0.60 0.38 0.15 -1.13 -0.57 0.00 0.00 179.45 178.88 3hu5 n SER 70 N -4.90 0.12 0.00 0.86 3.41 -1.26 -2.83 113.62 109.02 3hu5 n SER 70 Ca 0.19 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3hu5 n SER 70 Cb 0.50 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3hu5 n SER 70 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hu5 n ARG 71 N -1.59 0.68 -0.12 4.33 1.74 -0.21 -4.82 116.66 116.68 3hu5 n ARG 71 Ca -0.00 -0.12 0.02 0.00 -0.77 0.00 0.00 57.85 56.97 3hu5 n ARG 71 Cb 0.16 -0.51 0.31 0.00 -1.02 0.00 0.00 32.46 31.40 3hu5 n ARG 71 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3hu5 h GLU 72 N 0.00 0.78 -0.69 5.56 4.81 -1.25 -2.26 114.58 121.54 3hu5 h GLU 72 Ca 0.00 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 3hu5 h GLU 72 Cb 0.20 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 3hu5 h GLU 72 CO 0.00 0.54 0.25 1.12 -0.73 0.00 0.00 179.01 180.19 3hu5 h HIS 73 N 0.80 0.43 -1.29 0.92 2.07 -1.88 -1.98 115.15 114.23 3hu5 h HIS 73 Ca 0.21 0.03 0.37 0.00 -2.85 0.00 0.00 60.37 58.14 3hu5 h HIS 73 Cb -0.06 -0.09 -0.07 0.00 2.57 0.00 0.00 27.41 29.76 3hu5 h HIS 73 CO 0.00 0.06 0.90 -0.07 -3.07 0.00 0.00 177.93 175.75 3hu5 h LEU 74 N 0.41 0.13 0.00 6.12 3.38 -1.77 -0.58 115.31 122.99 3hu5 h LEU 74 Ca 0.36 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 58.17 3hu5 h LEU 74 Cb 0.52 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3hu5 h LEU 74 CO -0.37 -0.01 -1.31 -0.26 0.09 0.00 0.00 178.44 176.59 3hu5 h PHE 75 N 0.09 0.00 -2.09 1.13 -1.00 -1.51 -1.80 116.94 111.77 3hu5 h PHE 75 Ca 0.66 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.91 3hu5 h PHE 75 Cb 2.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.91 3hu5 h PHE 75 CO -0.00 0.77 1.43 -0.51 -1.61 0.00 0.00 178.31 178.38 3hu5 s LEU 76 N -6.13 3.41 0.00 1.54 1.43 -0.23 -4.20 118.68 114.51 3hu5 s LEU 76 Ca -0.02 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 3hu5 s LEU 76 Cb 0.08 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3hu5 s LEU 76 CO 0.81 -2.25 0.00 1.21 0.23 0.00 0.00 176.35 176.35 3hu5 n GLU 77 N 8.85 0.00 0.08 1.70 4.07 -1.26 -4.67 120.64 129.41 3hu5 n GLU 77 Ca 0.27 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.49 3hu5 n GLU 77 Cb 0.50 0.00 0.46 0.00 -0.06 0.00 0.00 31.44 32.34 3hu5 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hu5 n GLY 78 N 0.00 -1.43 0.00 8.31 0.00 -1.26 -4.96 105.19 105.85 3hu5 n GLY 78 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hu5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hu5 n GLY 79 N 0.71 -0.34 0.00 -0.02 0.00 -1.24 -5.03 105.19 99.26 3hu5 n GLY 79 Ca 0.04 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3hu5 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hu5 n GLY 80 N 5.00 2.67 3.39 -0.02 0.00 -0.68 -4.30 105.19 111.25 3hu5 n GLY 80 Ca 0.00 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3hu5 n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hu5 s LEU 81 N 0.00 2.77 -1.40 0.99 2.96 -1.26 -4.64 118.68 118.10 3hu5 s LEU 81 Ca 0.00 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 3hu5 s LEU 81 Cb 0.00 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.08 3hu5 s LEU 81 CO 0.00 0.17 0.32 0.00 -1.32 0.00 0.00 176.35 175.52 3hu5 s VAL 83 N -4.01 3.22 -0.19 0.00 1.01 -1.26 -0.24 120.40 118.92 3hu5 s VAL 83 Ca 0.17 0.85 -0.42 0.00 0.00 0.00 0.00 61.98 62.59 3hu5 s VAL 83 Cb -0.09 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.56 3hu5 s VAL 83 CO 0.96 0.06 1.39 0.00 0.00 0.00 0.00 175.10 177.52 3hu5 n ALA 84 N 4.13 -1.94 0.00 5.51 0.00 0.31 -1.52 120.51 127.00 3hu5 n ALA 84 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3hu5 n ALA 84 Cb 0.42 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3hu5 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 85 N 2.91 1.54 3.96 0.00 0.00 -1.26 -4.96 105.19 107.38 3hu5 n GLY 85 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3hu5 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hu5 s THR 86 N -2.33 2.93 0.33 2.61 -4.23 -0.57 -4.98 115.64 109.38 3hu5 s THR 86 Ca 0.00 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 3hu5 s THR 86 Cb 0.00 -3.11 0.14 0.00 1.34 0.00 0.00 72.50 70.87 3hu5 s THR 86 CO 0.00 -0.08 1.85 -0.65 -0.54 0.00 0.00 174.62 175.20 3hu5 h PRO 87 N 0.08 0.52 0.00 3.99 0.11 -1.96 -2.97 132.00 131.77 3hu5 h PRO 87 Ca -0.43 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3hu5 h PRO 87 Cb 1.29 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hu5 h PRO 87 CO 0.54 0.58 -0.11 0.78 -0.21 0.00 0.00 178.00 179.58 3hu5 h GLY 88 N 0.87 0.00 1.30 -0.55 0.00 -1.94 -1.65 103.07 101.11 3hu5 h GLY 88 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3hu5 h GLY 88 CO 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.53 3hu5 n ALA 89 N -2.16 2.59 -1.77 3.60 0.00 -1.13 -0.93 120.51 120.71 3hu5 n ALA 89 Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 3hu5 n ALA 89 Cb 0.35 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 3hu5 n ALA 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hu5 s GLU 90 N -2.46 3.85 0.37 0.00 2.56 -0.62 -4.77 118.70 117.63 3hu5 s GLU 90 Ca 0.31 1.78 -0.28 0.00 0.00 0.00 0.00 54.97 56.78 3hu5 s GLU 90 Cb 0.20 -2.48 -0.11 0.00 2.00 0.00 0.00 34.13 33.74 3hu5 s GLU 90 CO 0.45 -0.47 1.49 0.42 -0.56 0.00 0.00 175.26 176.59 3hu5 s ILE 91 N -1.52 2.07 0.65 -3.70 1.01 -1.26 -1.12 121.20 117.33 3hu5 s ILE 91 Ca 0.62 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 61.15 3hu5 s ILE 91 Cb -0.29 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 3hu5 s ILE 91 CO 0.35 0.02 1.21 1.33 0.00 0.00 0.00 174.94 177.85 3hu5 n VAL 92 N 0.63 4.64 -1.62 2.92 0.24 -1.26 -4.74 118.33 119.14 3hu5 n VAL 92 Ca 0.02 -0.49 -0.48 0.00 -2.04 0.00 0.00 64.34 61.34 3hu5 n VAL 92 Cb 0.39 -1.41 -0.04 0.00 -1.47 0.00 0.00 33.84 31.31 3hu5 n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hu5 n ALA 93 N -1.93 0.00 0.00 2.33 0.00 -1.26 -2.58 120.51 117.07 3hu5 n ALA 93 Ca 0.15 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3hu5 n ALA 93 Cb 0.48 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3hu5 n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 94 N 2.46 0.46 1.16 0.00 0.00 -1.26 -4.95 105.19 103.05 3hu5 n GLY 94 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3hu5 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hu5 n LEU 95 N 0.00 2.83 -4.76 0.99 4.77 -1.06 -4.84 117.00 114.92 3hu5 n LEU 95 Ca 0.00 -3.73 -0.40 0.00 -0.03 0.00 0.00 56.01 51.86 3hu5 n LEU 95 Cb 0.00 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 3hu5 n LEU 95 CO 0.00 1.39 0.82 -1.61 -1.33 0.00 0.00 177.39 176.66 3hu5 s GLU 96 N -2.83 4.47 0.53 3.23 8.01 -1.26 -4.93 118.70 125.93 3hu5 s GLU 96 Ca 0.39 1.85 -0.21 0.00 0.01 0.00 0.00 54.97 57.02 3hu5 s GLU 96 Cb 0.38 -3.04 -0.05 0.00 -4.31 0.00 0.00 34.13 27.10 3hu5 s GLU 96 CO -0.06 0.04 1.22 -2.14 0.01 0.00 0.00 175.26 174.33 3hu5 s PRO 97 N -1.71 3.31 0.23 0.39 0.02 -1.26 -5.03 135.00 130.96 3hu5 s PRO 97 Ca 0.48 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.40 3hu5 s PRO 97 Cb -0.32 -2.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 3hu5 s PRO 97 CO 0.42 -0.95 0.40 0.00 -0.33 0.00 0.00 177.00 176.54 3hu5 s ALA 98 N -1.53 3.85 -0.12 -1.55 0.00 -1.26 -5.02 121.76 116.14 3hu5 s ALA 98 Ca 0.71 -0.99 -0.40 0.00 0.00 0.00 0.00 51.96 51.28 3hu5 s ALA 98 Cb -0.31 -1.91 -0.17 0.00 0.00 0.00 0.00 23.12 20.72 3hu5 s ALA 98 CO 0.36 0.30 1.45 0.45 0.00 0.00 0.00 175.76 178.32 3hu5 n SER 99 N -1.08 1.50 0.00 0.00 2.88 -1.26 -1.39 113.62 114.26 3hu5 n SER 99 Ca -0.06 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 3hu5 n SER 99 Cb 0.55 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 3hu5 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hu5 n GLY 100 N 3.04 1.25 3.85 0.46 0.00 -1.26 -5.05 105.19 107.47 3hu5 n GLY 100 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3hu5 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hu5 s GLU 101 N -0.40 3.23 -0.12 1.61 2.02 -0.49 -4.97 118.70 119.58 3hu5 s GLU 101 Ca 0.00 0.83 -0.12 0.00 0.02 0.00 0.00 54.97 55.69 3hu5 s GLU 101 Cb 0.00 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 3hu5 s GLU 101 CO 0.00 -0.86 0.28 0.99 0.02 0.00 0.00 175.26 175.69 3hu5 s THR 102 N -3.13 5.29 -0.22 3.63 2.01 -0.27 -4.96 115.64 118.00 3hu5 s THR 102 Ca 0.57 0.52 -0.04 0.00 0.31 0.00 0.00 61.69 63.05 3hu5 s THR 102 Cb -0.12 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 3hu5 s THR 102 CO 0.54 0.48 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.22 3hu5 s VAL 103 N -0.17 3.37 -0.14 3.82 1.01 -1.26 -0.02 120.40 127.00 3hu5 s VAL 103 Ca 0.17 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3hu5 s VAL 103 Cb -0.13 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3hu5 s VAL 103 CO 0.06 0.43 -0.22 -0.22 0.00 0.00 0.00 175.10 175.15 3hu5 s LEU 104 N 1.42 2.13 -0.18 3.92 2.96 0.24 -4.97 118.68 124.20 3hu5 s LEU 104 Ca 0.05 -0.60 -0.17 0.00 -0.22 0.00 0.00 54.13 53.19 3hu5 s LEU 104 Cb -0.14 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3hu5 s LEU 104 CO -0.03 0.08 0.43 -0.69 -1.32 0.00 0.00 176.35 174.82 3hu5 s VAL 105 N 0.83 5.19 0.25 1.68 1.01 -1.26 -1.07 120.40 127.03 3hu5 s VAL 105 Ca -0.06 0.80 0.11 0.00 0.00 0.00 0.00 61.98 62.82 3hu5 s VAL 105 Cb -0.15 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3hu5 s VAL 105 CO -0.02 0.26 -0.12 -1.59 0.00 0.00 0.00 175.10 173.63 3hu5 s LYS 106 N 1.16 1.94 0.00 2.72 -2.85 -0.21 -4.89 119.74 117.61 3hu5 s LYS 106 Ca 0.21 -1.55 0.05 0.00 -1.00 0.00 0.00 55.97 53.69 3hu5 s LYS 106 Cb -0.15 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 3hu5 s LYS 106 CO 0.08 0.36 0.47 0.25 0.10 0.00 0.00 175.35 176.62 3hu5 n THR 107 N -0.54 0.00 -4.07 3.79 -2.24 -1.26 -4.33 114.28 105.63 3hu5 n THR 107 Ca -0.07 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 3hu5 n THR 107 Cb 0.59 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 3hu5 n THR 107 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hu5 n ARG 108 N -0.31 0.86 -0.01 -0.78 5.12 -1.26 -4.46 116.66 115.81 3hu5 n ARG 108 Ca 0.02 -0.52 -0.12 0.00 -1.93 0.00 0.00 57.85 55.30 3hu5 n ARG 108 Cb 0.11 0.29 -0.06 0.00 -1.16 0.00 0.00 32.46 31.63 3hu5 n ARG 108 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 3hu5 h PHE 109 N 1.10 0.13 -3.46 -1.55 0.04 -1.96 -3.43 116.94 107.83 3hu5 h PHE 109 Ca -0.05 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.19 3hu5 h PHE 109 Cb 0.18 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3hu5 h PHE 109 CO 0.00 0.25 0.43 0.45 -0.60 0.00 0.00 178.31 178.84 3hu5 s SER 110 N -5.48 7.33 0.61 2.17 0.15 -1.26 -4.20 113.70 113.03 3hu5 s SER 110 Ca -0.14 1.87 0.30 0.00 0.70 0.00 0.00 55.95 58.68 3hu5 s SER 110 Cb 0.06 -2.59 1.60 0.00 -1.71 0.00 0.00 66.02 63.39 3hu5 s SER 110 CO 0.68 -0.23 1.98 0.00 1.20 0.00 0.00 173.24 176.87 3hu5 h ALA 111 N 6.01 1.79 -1.70 5.45 0.00 -1.84 -3.46 119.26 125.51 3hu5 h ALA 111 Ca -0.42 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 3hu5 h ALA 111 Cb 1.21 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 3hu5 h ALA 111 CO 0.74 -0.46 1.06 -0.06 0.00 0.00 0.00 179.25 180.53 3hu5 s PHE 112 N -4.46 3.02 0.00 0.00 0.08 -1.26 -4.51 117.98 110.85 3hu5 s PHE 112 Ca -0.04 -1.35 0.00 0.00 0.12 0.00 0.00 56.93 55.66 3hu5 s PHE 112 Cb 0.13 -4.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.20 3hu5 s PHE 112 CO 0.47 -1.58 0.00 0.41 -0.10 0.00 0.00 175.22 174.41 3hu5 n GLY 114 N 5.66 0.00 3.47 4.36 0.00 -1.26 -4.75 105.19 112.68 3hu5 n GLY 114 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 3hu5 n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hu5 s THR 115 N 0.00 0.74 -0.70 2.61 -4.23 -1.26 -4.94 115.64 107.85 3hu5 s THR 115 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 3hu5 s THR 115 Cb 0.00 -2.50 0.56 0.00 1.34 0.00 0.00 72.50 71.90 3hu5 s THR 115 CO 0.00 0.00 1.37 -1.84 -0.54 0.00 0.00 174.62 173.61 3hu5 n GLU 116 N -0.80 3.50 -0.05 3.99 0.00 -1.26 -4.60 120.64 121.42 3hu5 n GLU 116 Ca -0.04 -2.15 -0.10 0.00 0.00 0.00 0.00 57.16 54.87 3hu5 n GLU 116 Cb 0.65 -1.94 -0.04 0.00 0.00 0.00 0.00 31.44 30.11 3hu5 n GLU 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hu5 n ASP 118 N -4.88 0.35 0.00 0.00 2.03 -1.26 -1.47 116.55 111.32 3hu5 n ASP 118 Ca -0.03 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.04 3hu5 n ASP 118 Cb 0.08 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3hu5 n ASP 118 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hu5 n LEU 120 N 0.94 0.00 0.01 -2.67 4.77 -0.46 -0.98 117.00 118.62 3hu5 n LEU 120 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3hu5 n LEU 120 Cb 0.06 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3hu5 n LEU 120 CO 0.00 0.00 0.42 -0.07 -1.33 0.00 0.00 177.39 176.41 3hu5 h LEU 121 N 0.00 0.61 -0.49 2.23 3.38 -1.52 -2.70 115.31 116.83 3hu5 h LEU 121 Ca 0.00 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 3hu5 h LEU 121 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hu5 h LEU 121 CO 0.00 1.08 -0.41 0.03 0.09 0.00 0.00 178.44 179.23 3hu5 h ARG 122 N 0.40 0.79 -0.79 1.13 3.08 -1.32 -1.01 114.38 116.66 3hu5 h ARG 122 Ca -0.01 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.66 3hu5 h ARG 122 Cb 1.18 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 3hu5 h ARG 122 CO 0.12 1.05 0.52 -0.09 -1.07 0.00 0.00 179.97 180.49 3hu5 h ARG 123 N 0.64 0.91 0.00 0.04 9.65 -1.76 -1.52 114.38 122.34 3hu5 h ARG 123 Ca 0.05 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3hu5 h ARG 123 Cb 0.97 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3hu5 h ARG 123 CO 0.09 0.60 0.00 -2.13 2.80 0.00 0.00 179.97 181.33 3hu5 n ARG 124 N -4.46 0.25 -1.79 0.20 3.00 -1.03 -4.93 116.66 107.89 3hu5 n ARG 124 Ca 0.11 0.26 -0.09 0.00 -0.00 0.00 0.00 57.85 58.13 3hu5 n ARG 124 Cb 0.14 -1.82 -0.02 0.00 0.00 0.00 0.00 32.46 30.76 3hu5 n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hu5 n GLY 125 N 1.01 0.44 3.74 5.14 0.00 -0.57 -5.01 105.19 109.93 3hu5 n GLY 125 Ca 0.05 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3hu5 n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hu5 s VAL 126 N -2.38 2.27 -0.10 1.61 1.01 -0.44 -4.65 120.40 117.71 3hu5 s VAL 126 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3hu5 s VAL 126 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3hu5 s VAL 126 CO 0.00 0.03 0.35 -0.90 0.00 0.00 0.00 175.10 174.58 3hu5 n ASP 127 N 2.64 0.69 -3.68 3.32 5.68 -0.42 -4.80 116.55 119.97 3hu5 n ASP 127 Ca 0.09 -0.85 -0.16 0.00 -0.50 0.00 0.00 54.79 53.38 3hu5 n ASP 127 Cb 0.38 0.38 -0.15 0.00 -1.14 0.00 0.00 41.12 40.59 3hu5 n ASP 127 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hu5 s THR 128 N -0.47 -0.26 -0.13 2.12 2.01 -1.14 -0.55 115.64 117.21 3hu5 s THR 128 Ca 0.01 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.34 3hu5 s THR 128 Cb 0.01 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 3hu5 s THR 128 CO 0.02 0.13 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.70 3hu5 s LEU 129 N 2.16 2.47 -0.17 4.42 2.96 0.12 -1.33 118.68 129.31 3hu5 s LEU 129 Ca 0.01 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 3hu5 s LEU 129 Cb -0.12 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3hu5 s LEU 129 CO -0.06 0.13 0.31 -0.76 -1.32 0.00 0.00 176.35 174.64 3hu5 s LEU 130 N 0.56 4.22 -0.22 -0.68 1.43 0.10 -0.95 118.68 123.15 3hu5 s LEU 130 Ca -0.10 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3hu5 s LEU 130 Cb -0.16 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 3hu5 s LEU 130 CO 0.04 0.06 0.03 -0.69 0.23 0.00 0.00 176.35 176.02 3hu5 s VAL 131 N 0.65 4.18 0.16 -1.59 1.01 0.24 -0.64 120.40 124.40 3hu5 s VAL 131 Ca 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3hu5 s VAL 131 Cb -0.13 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3hu5 s VAL 131 CO 0.05 0.40 0.16 -0.94 0.00 0.00 0.00 175.10 174.76 3hu5 s SER 132 N 1.16 0.18 0.00 3.32 1.04 -0.44 -1.87 113.70 117.09 3hu5 s SER 132 Ca 0.04 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3hu5 s SER 132 Cb -0.14 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3hu5 s SER 132 CO 0.02 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3hu5 n GLY 133 N -0.17 0.20 3.19 7.32 0.00 -0.51 -0.75 105.19 114.48 3hu5 n GLY 133 Ca -0.05 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 3hu5 n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hu5 s THR 134 N 0.00 0.11 0.13 2.61 -1.32 -0.13 -2.52 115.64 114.51 3hu5 s THR 134 Ca 0.00 -0.88 0.06 0.00 -1.21 0.00 0.00 61.69 59.66 3hu5 s THR 134 Cb 0.00 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 3hu5 s THR 134 CO 0.00 -0.49 0.00 0.00 -2.21 0.00 0.00 174.62 171.92 3hu5 s GLN 135 N -2.69 2.48 0.09 7.08 -2.07 -1.26 -4.42 119.66 118.87 3hu5 s GLN 135 Ca -0.04 -0.96 -0.18 0.00 -1.82 0.00 0.00 55.36 52.35 3hu5 s GLN 135 Cb -0.00 -2.46 -0.04 0.00 -1.09 0.00 0.00 33.01 29.42 3hu5 s GLN 135 CO -0.04 0.50 1.09 0.66 -1.32 0.00 0.00 175.29 176.17 3hu5 n TYR 136 N 0.23 -0.26 0.44 9.60 4.02 0.16 -1.71 117.16 129.64 3hu5 n TYR 136 Ca -0.10 0.74 0.12 0.00 -0.01 0.00 0.00 57.90 58.65 3hu5 n TYR 136 Cb 0.53 -0.52 0.48 0.00 -0.02 0.00 0.00 39.34 39.81 3hu5 n TYR 136 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3hu5 h PRO 137 N 0.00 0.00 0.00 -0.72 0.13 -1.89 -0.17 132.00 129.35 3hu5 h PRO 137 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3hu5 h PRO 137 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 3hu5 h PRO 137 CO -0.55 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.31 3hu5 n ASN 138 N -2.31 0.00 -0.03 1.44 3.02 -0.70 -4.61 115.26 112.08 3hu5 n ASN 138 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 3hu5 n ASN 138 Cb 0.29 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.46 3hu5 n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hu5 h ILE 140 N 0.52 0.42 -0.68 0.00 1.08 -1.61 -2.06 117.51 115.17 3hu5 h ILE 140 Ca 0.00 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 3hu5 h ILE 140 Cb 1.16 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3hu5 h ILE 140 CO 0.12 0.01 0.25 -0.09 -0.69 0.00 0.00 178.15 177.74 3hu5 h ARG 141 N -0.82 1.03 -0.44 2.37 2.43 -1.05 -0.44 114.38 117.45 3hu5 h ARG 141 Ca -0.08 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 3hu5 h ARG 141 Cb 0.62 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3hu5 h ARG 141 CO 0.13 0.85 -0.19 0.78 -1.51 0.00 0.00 179.97 180.04 3hu5 h GLY 142 N 1.07 0.94 1.24 2.80 0.00 -0.89 -0.76 103.07 107.46 3hu5 h GLY 142 Ca 0.23 -0.79 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 3hu5 h GLY 142 CO -0.02 0.72 -0.58 -0.84 0.00 0.00 0.00 176.54 175.82 3hu5 h THR 143 N 0.76 1.29 -0.02 4.70 2.02 -1.16 -1.98 112.91 118.52 3hu5 h THR 143 Ca 0.11 -1.79 -0.18 0.00 0.77 0.00 0.00 66.41 65.32 3hu5 h THR 143 Cb 0.72 1.71 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3hu5 h THR 143 CO 0.06 0.57 -0.71 0.00 0.37 0.00 0.00 175.52 175.81 3hu5 h ALA 144 N 0.74 0.11 -0.20 6.16 0.00 -0.81 -0.81 119.26 124.45 3hu5 h ALA 144 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 3hu5 h ALA 144 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hu5 h ALA 144 CO 0.12 0.45 -0.42 0.28 0.00 0.00 0.00 179.25 179.69 3hu5 h VAL 145 N 0.06 1.31 -0.66 0.00 2.07 -1.21 -0.30 116.25 117.51 3hu5 h VAL 145 Ca -0.08 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 3hu5 h VAL 145 Cb 1.40 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 3hu5 h VAL 145 CO 0.14 0.49 0.10 0.44 0.02 0.00 0.00 177.57 178.76 3hu5 h ASP 146 N 0.38 1.04 -0.48 0.57 3.32 -1.21 -1.09 116.42 118.94 3hu5 h ASP 146 Ca 0.03 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 3hu5 h ASP 146 Cb 0.89 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3hu5 h ASP 146 CO 0.08 1.03 0.07 0.00 -1.72 0.00 0.00 179.24 178.70 3hu5 h ALA 147 N 1.08 1.11 -0.50 3.45 0.00 -0.88 -1.44 119.26 122.08 3hu5 h ALA 147 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hu5 h ALA 147 Cb 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hu5 h ALA 147 CO 0.01 0.58 0.11 0.35 0.00 0.00 0.00 179.25 180.30 3hu5 h PHE 148 N 0.82 0.86 0.00 0.00 3.57 -0.84 -1.84 116.94 119.51 3hu5 h PHE 148 Ca 0.17 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3hu5 h PHE 148 Cb 0.39 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 3hu5 h PHE 148 CO 0.02 0.77 -0.08 0.00 -2.23 0.00 0.00 178.31 176.80 3hu5 h ALA 149 N 0.98 1.77 -0.42 2.41 0.00 -0.81 -2.38 119.26 120.82 3hu5 h ALA 149 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hu5 h ALA 149 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hu5 h ALA 149 CO 0.01 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 3hu5 n LEU 150 N -4.30 2.33 0.00 0.00 4.77 -0.58 -4.93 117.00 114.30 3hu5 n LEU 150 Ca -0.03 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 3hu5 n LEU 150 Cb 0.16 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3hu5 n LEU 150 CO 0.34 0.57 0.00 0.47 -1.33 0.00 0.00 177.39 177.44 3hu5 n ASP 151 N 0.77 -1.83 -4.78 -1.43 9.92 -0.90 -5.04 116.55 113.26 3hu5 n ASP 151 Ca 0.15 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.06 3hu5 n ASP 151 Cb 0.38 -0.31 -0.02 0.00 -0.64 0.00 0.00 41.12 40.53 3hu5 n ASP 151 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3hu5 s TYR 152 N -2.17 2.98 -0.12 1.24 2.02 -0.76 -5.00 117.35 115.54 3hu5 s TYR 152 Ca 0.00 1.58 -0.29 0.00 -0.37 0.00 0.00 57.07 57.99 3hu5 s TYR 152 Cb 0.00 -3.19 -0.01 0.00 -0.40 0.00 0.00 41.96 38.36 3hu5 s TYR 152 CO 0.00 -1.06 0.99 -0.51 -1.57 0.00 0.00 175.55 173.41 3hu5 s ASP 153 N -1.70 7.20 -0.14 2.29 1.01 0.29 -4.45 116.67 121.17 3hu5 s ASP 153 Ca 0.65 1.48 -0.00 0.00 0.71 0.00 0.00 52.55 55.39 3hu5 s ASP 153 Cb -0.22 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 3hu5 s ASP 153 CO 0.26 -0.46 -0.13 -0.69 0.21 0.00 0.00 175.17 174.35 3hu5 s VAL 154 N 2.14 2.94 -0.25 -1.27 1.01 -1.26 0.16 120.40 123.87 3hu5 s VAL 154 Ca 0.47 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 3hu5 s VAL 154 Cb -0.18 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.00 3hu5 s VAL 154 CO 0.16 0.52 -0.08 -0.69 0.00 0.00 0.00 175.10 175.00 3hu5 s VAL 155 N 0.54 2.62 -0.27 2.92 1.01 -0.13 -2.75 120.40 124.34 3hu5 s VAL 155 Ca -0.09 -1.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.45 3hu5 s VAL 155 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3hu5 s VAL 155 CO 0.04 0.15 0.85 -0.69 0.00 0.00 0.00 175.10 175.46 3hu5 s VAL 156 N 1.26 4.77 -0.59 2.92 1.01 0.49 -0.59 120.40 129.67 3hu5 s VAL 156 Ca -0.02 1.48 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 3hu5 s VAL 156 Cb -0.17 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.08 3hu5 s VAL 156 CO -0.05 -0.19 1.00 -0.69 0.00 0.00 0.00 175.10 175.17 3hu5 s VAL 157 N 3.00 4.28 0.20 2.92 1.01 -0.78 -1.57 120.40 129.46 3hu5 s VAL 157 Ca 0.36 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 3hu5 s VAL 157 Cb -0.14 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 3hu5 s VAL 157 CO 0.10 -1.27 1.52 0.71 0.00 0.00 0.00 175.10 176.16 3hu5 h THR 158 N 6.02 1.33 -0.09 3.92 1.35 -1.28 -0.36 112.91 123.81 3hu5 h THR 158 Ca -0.27 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 3hu5 h THR 158 Cb 1.07 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3hu5 h THR 158 CO 1.13 0.56 0.00 -0.90 -0.25 0.00 0.00 175.52 176.06 3hu5 n ASP 159 N -3.95 1.26 -1.11 5.36 5.68 -1.26 -2.99 116.55 119.54 3hu5 n ASP 159 Ca -0.03 -1.56 0.10 0.00 -0.50 0.00 0.00 54.79 52.80 3hu5 n ASP 159 Cb 0.60 -0.05 0.25 0.00 -1.14 0.00 0.00 41.12 40.78 3hu5 n ASP 159 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hu5 n ALA 160 N 0.03 2.34 -2.45 2.12 0.00 -0.16 -4.73 120.51 117.65 3hu5 n ALA 160 Ca 0.17 -1.19 -0.25 0.00 0.00 0.00 0.00 53.44 52.17 3hu5 n ALA 160 Cb 0.28 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 3hu5 n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hu5 s SER 162 N -2.39 1.02 0.27 0.00 1.04 -1.05 -4.97 113.70 107.62 3hu5 s SER 162 Ca 0.15 -1.30 -0.04 0.00 0.48 0.00 0.00 55.95 55.25 3hu5 s SER 162 Cb -0.08 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 3hu5 s SER 162 CO 0.07 -0.69 0.33 0.00 0.98 0.00 0.00 173.24 173.94 3hu5 s ALA 163 N -3.79 0.77 0.27 5.32 0.00 -1.26 0.37 121.76 123.44 3hu5 s ALA 163 Ca 0.32 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.82 3hu5 s ALA 163 Cb 0.07 1.25 0.39 0.00 0.00 0.00 0.00 23.12 24.84 3hu5 s ALA 163 CO 0.09 -0.72 1.73 0.00 0.00 0.00 0.00 175.76 176.86 3hu5 h ARG 164 N 2.33 0.56 -5.18 0.00 3.08 -1.96 -1.90 114.38 111.31 3hu5 h ARG 164 Ca -0.30 -0.19 -0.36 0.00 0.07 0.00 0.00 59.98 59.19 3hu5 h ARG 164 Cb 1.25 -0.04 -0.17 0.00 0.08 0.00 0.00 29.97 31.08 3hu5 h ARG 164 CO 0.42 0.72 -0.74 0.95 -1.07 0.00 0.00 179.97 180.26 3hu5 s THR 165 N -4.61 1.16 0.39 2.04 -4.23 -1.26 -4.45 115.64 104.68 3hu5 s THR 165 Ca -0.07 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 58.77 3hu5 s THR 165 Cb 0.14 -1.53 0.31 0.00 1.34 0.00 0.00 72.50 72.76 3hu5 s THR 165 CO 0.80 -0.53 1.96 -0.65 -0.54 0.00 0.00 174.62 175.65 3hu5 h PRO 166 N 3.39 0.61 -0.78 3.99 0.11 -2.00 -2.52 132.00 134.80 3hu5 h PRO 166 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3hu5 h PRO 166 Cb 1.19 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3hu5 h PRO 166 CO 0.54 0.40 0.46 0.78 -0.21 0.00 0.00 178.00 179.97 3hu5 h GLY 167 N 0.63 1.12 1.04 -0.55 0.00 -1.99 -0.53 103.07 102.79 3hu5 h GLY 167 Ca 0.31 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3hu5 h GLY 167 CO -0.10 0.45 -0.17 -2.08 0.00 0.00 0.00 176.54 174.64 3hu5 h VAL 168 N 1.07 1.28 0.14 4.60 2.07 -1.88 -1.41 116.25 122.11 3hu5 h VAL 168 Ca 0.28 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3hu5 h VAL 168 Cb -0.04 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hu5 h VAL 168 CO -0.05 0.44 -0.07 0.00 0.02 0.00 0.00 177.57 177.91 3hu5 h ALA 169 N 0.84 -0.19 -0.56 1.67 0.00 -1.08 -1.62 119.26 118.32 3hu5 h ALA 169 Ca 0.10 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3hu5 h ALA 169 Cb 0.72 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3hu5 h ALA 169 CO 0.05 -0.60 0.16 0.93 0.00 0.00 0.00 179.25 179.79 3hu5 h GLU 170 N -0.19 0.31 -0.17 0.00 5.08 -1.03 -0.45 114.58 118.14 3hu5 h GLU 170 Ca -0.02 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3hu5 h GLU 170 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hu5 h GLU 170 CO 0.03 0.21 -0.35 0.66 -1.00 0.00 0.00 179.01 178.55 3hu5 h SER 171 N 0.32 0.36 -0.23 1.42 4.64 -1.00 -1.19 113.55 117.87 3hu5 h SER 171 Ca 0.28 -0.14 -0.20 0.00 -0.47 0.00 0.00 61.79 61.26 3hu5 h SER 171 Cb 0.37 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3hu5 h SER 171 CO -0.33 0.70 -0.65 0.78 -0.87 0.00 0.00 176.83 176.46 3hu5 h ASN 172 N 0.30 0.96 -0.01 4.97 2.35 -0.84 -1.57 115.58 121.75 3hu5 h ASN 172 Ca 0.03 -0.58 0.03 0.00 -0.55 0.00 0.00 56.30 55.23 3hu5 h ASN 172 Cb 0.77 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 3hu5 h ASN 172 CO 0.06 1.37 -0.19 0.40 -1.65 0.00 0.00 177.43 177.43 3hu5 h ILE 173 N 0.60 0.55 -0.65 2.81 2.04 -0.94 -2.84 117.51 119.09 3hu5 h ILE 173 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3hu5 h ILE 173 Cb 1.27 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3hu5 h ILE 173 CO 0.14 0.00 0.35 0.78 0.00 0.00 0.00 178.15 179.42 3hu5 h ASN 174 N -0.30 0.49 0.00 1.72 2.35 -1.19 0.43 115.58 119.09 3hu5 h ASN 174 Ca 0.06 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3hu5 h ASN 174 Cb 0.38 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3hu5 h ASN 174 CO -0.18 0.31 0.00 0.47 -1.65 0.00 0.00 177.43 176.38 3hu5 n ASP 175 N -4.82 0.09 0.00 5.81 8.00 -0.59 -1.83 116.55 123.20 3hu5 n ASP 175 Ca 0.08 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3hu5 n ASP 175 Cb 0.19 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3hu5 n ASP 175 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hu5 n ARG 177 N 0.51 0.00 -0.04 -1.24 1.74 0.14 -4.81 116.66 112.96 3hu5 n ARG 177 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hu5 n ARG 177 Cb 0.02 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.46 3hu5 n ARG 177 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hu5 n ALA 178 N 0.00 1.63 -0.76 7.54 0.00 -0.76 -4.00 120.51 124.16 3hu5 n ALA 178 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hu5 n ALA 178 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3hu5 n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 180 N 2.14 -0.87 3.72 0.00 0.00 -1.26 -5.22 105.19 103.71 3hu5 n GLY 180 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3hu5 n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hu5 s ILE 181 N -0.15 4.95 -0.14 -0.61 1.01 -1.26 -4.98 121.20 120.02 3hu5 s ILE 181 Ca 0.00 1.56 -0.29 0.00 0.00 0.00 0.00 60.65 61.92 3hu5 s ILE 181 Cb 0.00 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3hu5 s ILE 181 CO 0.00 0.27 1.24 -0.89 0.00 0.00 0.00 174.94 175.56 3hu5 s THR 182 N 0.59 4.29 -0.27 2.92 2.01 -1.11 -3.75 115.64 120.32 3hu5 s THR 182 Ca 0.39 1.57 0.01 0.00 0.31 0.00 0.00 61.69 63.98 3hu5 s THR 182 Cb -0.19 -4.02 0.08 0.00 0.01 0.00 0.00 72.50 68.38 3hu5 s THR 182 CO 0.21 -0.10 0.01 0.00 -0.69 0.00 0.00 174.62 174.04 3hu5 s VAL 184 N 1.38 0.21 0.83 0.00 -7.23 -0.61 -4.91 120.40 110.07 3hu5 s VAL 184 Ca 0.02 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 3hu5 s VAL 184 Cb -0.18 -1.29 0.09 0.00 0.56 0.00 0.00 36.38 35.55 3hu5 s VAL 184 CO -0.11 -0.91 1.13 -2.84 -0.31 0.00 0.00 175.10 172.06 3hu5 s PRO 185 N -3.47 1.79 0.30 4.82 0.02 -1.26 -0.78 135.00 136.42 3hu5 s PRO 185 Ca 0.03 0.39 0.01 0.00 0.02 0.00 0.00 61.00 61.45 3hu5 s PRO 185 Cb 0.05 -1.91 0.54 0.00 0.02 0.00 0.00 34.50 33.20 3hu5 s PRO 185 CO -0.08 -1.77 1.90 1.25 -0.33 0.00 0.00 177.00 177.97 3hu5 h LEU 186 N -1.19 0.90 -0.92 -5.54 5.85 -1.96 -1.01 115.31 111.44 3hu5 h LEU 186 Ca -0.48 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hu5 h LEU 186 Cb 1.30 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3hu5 h LEU 186 CO 0.62 0.57 0.00 0.71 -0.34 0.00 0.00 178.44 180.00 3hu5 h THR 187 N 1.01 0.00 -0.13 1.05 1.35 -2.02 -2.14 112.91 112.03 3hu5 h THR 187 Ca 0.40 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3hu5 h THR 187 Cb 0.24 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3hu5 h THR 187 CO -0.16 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.11 3hu5 n ALA 188 N -1.85 2.51 -0.04 6.62 0.00 -0.39 -4.58 120.51 122.78 3hu5 n ALA 188 Ca 0.02 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.72 3hu5 n ALA 188 Cb 0.24 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 3hu5 n ALA 188 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hu5 h LEU 189 N 2.98 0.40 -0.74 0.00 5.85 -1.39 -2.20 115.31 120.21 3hu5 h LEU 189 Ca 0.00 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 58.22 3hu5 h LEU 189 Cb 0.64 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 3hu5 h LEU 189 CO 0.00 0.93 0.38 0.44 -0.34 0.00 0.00 178.44 179.85 3hu5 h ASP 190 N -0.10 0.51 -0.45 1.25 3.32 -1.81 -0.40 116.42 118.75 3hu5 h ASP 190 Ca -0.01 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3hu5 h ASP 190 Cb 0.88 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 3hu5 h ASP 190 CO 0.06 0.29 0.23 0.44 -1.72 0.00 0.00 179.24 178.53 3hu5 h ASP 191 N 0.64 0.33 -0.67 6.45 3.32 -1.83 -0.35 116.42 124.32 3hu5 h ASP 191 Ca 0.36 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3hu5 h ASP 191 Cb 0.38 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3hu5 h ASP 191 CO -0.27 0.24 0.28 0.58 -1.72 0.00 0.00 179.24 178.35 3hu5 h VAL 192 N 0.46 1.24 -0.09 -1.35 2.07 -0.69 -2.98 116.25 114.91 3hu5 h VAL 192 Ca 0.19 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.86 3hu5 h VAL 192 Cb 0.09 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hu5 h VAL 192 CO -0.13 0.29 -0.52 -0.07 0.02 0.00 0.00 177.57 177.16 3hu5 h LEU 193 N 0.94 0.26 -1.79 2.57 3.38 -0.80 -2.03 115.31 117.84 3hu5 h LEU 193 Ca 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hu5 h LEU 193 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hu5 h LEU 193 CO -0.02 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 179.18 3hu5 h ALA 194 N 1.27 1.07 0.00 1.53 0.00 -0.92 -3.48 119.26 118.73 3hu5 h ALA 194 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hu5 h ALA 194 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hu5 h ALA 194 CO 0.08 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.95