#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hiy n ASN 7 N 0.00 2.96 -0.38 6.55 4.13 -1.26 -3.61 115.26 123.65 1hiy n ASN 7 Ca 0.00 -2.43 0.07 0.00 1.68 0.00 0.00 54.58 53.90 1hiy n ASN 7 Cb 0.00 -0.59 0.02 0.00 -1.54 0.00 0.00 39.78 37.67 1hiy n ASN 7 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1hiy n LYS 8 N 0.06 1.58 -1.66 3.52 4.81 -1.26 -3.75 118.16 121.46 1hiy n LYS 8 Ca 0.15 -0.91 -0.47 0.00 -0.87 0.00 0.00 58.31 56.22 1hiy n LYS 8 Cb 0.75 -1.21 -0.04 0.00 0.02 0.00 0.00 35.03 34.55 1hiy n LYS 8 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1hiy n GLU 9 N 0.12 2.02 -4.42 1.64 2.13 -1.24 -4.64 120.64 116.25 1hiy n GLU 9 Ca 0.06 0.73 -0.25 0.00 0.66 0.00 0.00 57.16 58.36 1hiy n GLU 9 Cb 0.30 -2.49 -0.09 0.00 0.27 0.00 0.00 31.44 29.43 1hiy n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1hiy s ARG 10 N 1.20 1.97 0.19 5.31 0.52 -1.26 -0.80 118.95 126.08 1hiy s ARG 10 Ca 0.81 -1.82 -0.08 0.00 -0.52 0.00 0.00 55.73 54.12 1hiy s ARG 10 Cb -0.72 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 1hiy s ARG 10 CO 0.41 0.14 0.29 -0.08 0.02 0.00 0.00 175.30 176.08 1hiy s THR 11 N -2.55 0.04 -0.13 0.02 -1.32 -0.69 -4.58 115.64 106.42 1hiy s THR 11 Ca 0.34 -1.56 0.03 0.00 -1.21 0.00 0.00 61.69 59.29 1hiy s THR 11 Cb 0.01 -2.09 0.01 0.00 -1.51 0.00 0.00 72.50 68.91 1hiy s THR 11 CO 0.18 -0.16 -0.21 0.12 -2.21 0.00 0.00 174.62 172.33 1hiy s PHE 12 N -4.03 2.66 0.07 9.09 5.36 -1.26 -2.86 117.98 127.00 1hiy s PHE 12 Ca 0.24 -1.21 0.09 0.00 -0.96 0.00 0.00 56.93 55.09 1hiy s PHE 12 Cb 0.03 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.88 1hiy s PHE 12 CO 0.05 -0.53 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.51 1hiy s LEU 13 N 0.67 2.22 -0.10 6.12 1.43 -0.13 -1.44 118.68 127.46 1hiy s LEU 13 Ca -0.10 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 1hiy s LEU 13 Cb -0.16 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 44.89 1hiy s LEU 13 CO 0.01 0.22 0.19 0.00 0.23 0.00 0.00 176.35 177.01 1hiy s ALA 14 N -0.89 -0.30 -0.25 4.21 0.00 -0.19 -0.54 121.76 123.79 1hiy s ALA 14 Ca 0.12 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 1hiy s ALA 14 Cb -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1hiy s ALA 14 CO 0.03 -0.54 0.77 0.08 0.00 0.00 0.00 175.76 176.09 1hiy s VAL 15 N 2.21 4.87 0.89 0.00 1.01 -0.95 0.17 120.40 128.60 1hiy s VAL 15 Ca 0.01 1.39 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 1hiy s VAL 15 Cb -0.12 -4.07 0.13 0.00 0.00 0.00 0.00 36.38 32.32 1hiy s VAL 15 CO -0.07 -0.07 1.18 -0.54 0.00 0.00 0.00 175.10 175.60 1hiy s LYS 16 N 2.76 1.29 0.00 2.72 1.02 0.42 -2.47 119.74 125.49 1hiy s LYS 16 Ca 0.32 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1hiy s LYS 16 Cb -0.15 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1hiy s LYS 16 CO 0.08 -2.06 0.58 -2.30 -0.92 0.00 0.00 175.35 170.73 1hiy n PRO 17 N -3.63 0.00 -0.11 -1.68 -0.02 -1.21 -1.54 135.00 126.81 1hiy n PRO 17 Ca 0.09 0.16 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 1hiy n PRO 17 Cb 0.60 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 1hiy n PRO 17 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1hiy n ASP 18 N -1.08 1.01 0.19 2.55 5.75 -1.26 -2.86 116.55 120.84 1hiy n ASP 18 Ca 0.00 -0.07 0.06 0.00 -0.01 0.00 0.00 54.79 54.78 1hiy n ASP 18 Cb 0.16 0.31 0.27 0.00 -1.03 0.00 0.00 41.12 40.83 1hiy n ASP 18 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1hiy h GLY 19 N 2.99 0.00 0.23 6.12 0.00 -1.45 -2.51 103.07 108.45 1hiy h GLY 19 Ca -0.56 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1hiy h GLY 19 CO -0.03 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.37 1hiy h VAL 20 N 0.00 0.66 0.00 4.60 2.07 -1.60 -0.42 116.25 121.56 1hiy h VAL 20 Ca -0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1hiy h VAL 20 Cb 1.02 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1hiy h VAL 20 CO 0.05 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1hiy h ALA 21 N -0.55 1.00 -0.01 1.67 0.00 -1.60 -2.12 119.26 117.65 1hiy h ALA 21 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hiy h ALA 21 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1hiy h ALA 21 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1hiy n ARG 22 N -2.64 1.55 -2.70 0.00 1.74 -0.94 -4.96 116.66 108.71 1hiy n ARG 22 Ca 0.00 -0.80 -0.05 0.00 -0.77 0.00 0.00 57.85 56.23 1hiy n ARG 22 Cb 0.20 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.18 1hiy n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hiy n GLY 23 N 1.15 0.61 0.28 -0.13 0.00 -0.80 -5.01 105.19 101.29 1hiy n GLY 23 Ca 0.20 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.79 1hiy n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hiy n LEU 24 N -1.41 1.38 -0.20 0.99 4.77 -0.17 -4.70 117.00 117.65 1hiy n LEU 24 Ca -0.00 -0.76 0.01 0.00 -0.03 0.00 0.00 56.01 55.23 1hiy n LEU 24 Cb 0.51 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.71 1hiy n LEU 24 CO 0.13 0.27 0.89 0.58 -1.33 0.00 0.00 177.39 177.93 1hiy h VAL 25 N 1.38 0.59 -0.18 4.08 2.07 -1.87 -0.39 116.25 121.93 1hiy h VAL 25 Ca 0.00 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1hiy h VAL 25 Cb 0.43 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1hiy h VAL 25 CO 0.00 0.04 -0.21 1.23 0.02 0.00 0.00 177.57 178.64 1hiy h GLY 26 N 0.20 0.50 0.23 2.17 0.00 -1.96 -1.04 103.07 103.18 1hiy h GLY 26 Ca 0.32 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 47.16 1hiy h GLY 26 CO -0.44 0.48 -0.28 -2.09 0.00 0.00 0.00 176.54 174.21 1hiy h GLU 27 N 0.11 -0.34 0.15 4.80 4.57 -1.74 0.39 114.58 122.52 1hiy h GLU 27 Ca 0.02 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1hiy h GLU 27 Cb 0.77 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1hiy h GLU 27 CO 0.05 -0.23 -0.14 0.82 -1.18 0.00 0.00 179.01 178.34 1hiy h ILE 28 N -0.35 0.69 -0.18 2.32 2.04 -1.04 -2.16 117.51 118.83 1hiy h ILE 28 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1hiy h ILE 28 Cb 0.50 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1hiy h ILE 28 CO -0.32 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.18 1hiy h ILE 29 N -0.31 0.81 -0.91 -0.67 2.04 -0.94 -2.39 117.51 115.15 1hiy h ILE 29 Ca 0.00 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.09 1hiy h ILE 29 Cb 0.29 0.81 -0.16 0.00 -0.74 0.00 0.00 36.82 37.02 1hiy h ILE 29 CO -0.03 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.14 1hiy h ALA 30 N 1.17 1.02 -0.49 1.87 0.00 0.02 0.16 119.26 123.00 1hiy h ALA 30 Ca 0.09 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1hiy h ALA 30 Cb 0.14 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1hiy h ALA 30 CO -0.19 -0.50 0.23 0.00 0.00 0.00 0.00 179.25 178.79 1hiy h ARG 31 N 0.05 0.69 0.04 0.00 3.08 -0.86 -1.79 114.38 115.59 1hiy h ARG 31 Ca 0.53 -0.08 -0.23 0.00 0.07 0.00 0.00 59.98 60.27 1hiy h ARG 31 Cb 1.03 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1hiy h ARG 31 CO -0.83 0.54 -1.00 1.88 -1.07 0.00 0.00 179.97 179.49 1hiy h TYR 32 N 0.69 0.39 -0.84 3.04 0.05 -0.66 -2.96 116.97 116.67 1hiy h TYR 32 Ca 0.17 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1hiy h TYR 32 Cb 0.09 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 1hiy h TYR 32 CO 0.01 1.10 0.45 0.93 -1.05 0.00 0.00 178.16 179.59 1hiy h GLU 33 N 0.11 1.18 -0.29 4.88 5.08 -1.10 -2.57 114.58 121.87 1hiy h GLU 33 Ca -0.07 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 1hiy h GLU 33 Cb 1.68 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 1hiy h GLU 33 CO 0.16 0.87 -0.49 0.87 -1.00 0.00 0.00 179.01 179.42 1hiy h LYS 34 N 1.18 0.80 -0.76 2.33 1.57 -1.38 -3.20 116.57 117.11 1hiy h LYS 34 Ca 0.29 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1hiy h LYS 34 Cb 0.05 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1hiy h LYS 34 CO -0.05 1.10 0.40 -0.22 -0.57 0.00 0.00 179.45 180.12 1hiy h LYS 35 N 0.63 1.07 0.00 3.15 1.63 -1.31 -3.46 116.57 118.27 1hiy h LYS 35 Ca 0.03 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1hiy h LYS 35 Cb 1.07 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1hiy h LYS 35 CO 0.11 0.79 0.00 0.41 -3.45 0.00 0.00 179.45 177.31 1hiy n GLY 36 N -1.15 0.11 3.89 5.01 0.00 -1.03 -5.12 105.19 106.89 1hiy n GLY 36 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1hiy n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hiy s PHE 37 N -0.89 3.48 0.18 1.61 0.08 -1.00 -4.90 117.98 116.55 1hiy s PHE 37 Ca 0.00 0.69 -0.06 0.00 0.12 0.00 0.00 56.93 57.68 1hiy s PHE 37 Cb 0.00 -2.11 -0.06 0.00 -0.57 0.00 0.00 43.02 40.28 1hiy s PHE 37 CO 0.00 0.40 0.44 0.08 -0.10 0.00 0.00 175.22 176.05 1hiy s VAL 38 N -1.65 5.09 -0.41 -0.44 1.01 -0.96 -4.33 120.40 118.70 1hiy s VAL 38 Ca 0.41 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1hiy s VAL 38 Cb -0.12 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1hiy s VAL 38 CO 0.22 -0.03 0.29 -0.22 0.00 0.00 0.00 175.10 175.37 1hiy s LEU 39 N -2.80 5.09 0.00 3.92 2.96 -1.26 -1.42 118.68 125.16 1hiy s LEU 39 Ca 0.43 -0.92 0.23 0.00 -0.22 0.00 0.00 54.13 53.65 1hiy s LEU 39 Cb -0.12 -2.15 0.30 0.00 0.50 0.00 0.00 46.19 44.72 1hiy s LEU 39 CO 0.24 -0.45 1.32 1.33 -1.32 0.00 0.00 176.35 177.47 1hiy n VAL 40 N 5.14 0.24 -3.58 1.68 0.24 -0.41 -4.96 118.33 116.68 1hiy n VAL 40 Ca -0.11 -0.62 -0.06 0.00 -2.04 0.00 0.00 64.34 61.51 1hiy n VAL 40 Cb 0.47 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.06 1hiy n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1hiy s GLY 41 N -1.74 -0.25 -0.30 7.63 0.00 -1.24 -1.51 107.32 109.91 1hiy s GLY 41 Ca 0.33 1.83 -0.23 0.00 0.00 0.00 0.00 44.72 46.64 1hiy s GLY 41 CO 0.31 0.73 1.36 -2.27 0.00 0.00 0.00 173.10 173.23 1hiy s LEU 42 N -1.74 -0.11 -0.09 0.66 2.96 -1.26 -2.99 118.68 116.12 1hiy s LEU 42 Ca 0.05 0.20 -0.32 0.00 -0.22 0.00 0.00 54.13 53.84 1hiy s LEU 42 Cb -0.01 1.19 0.12 0.00 0.50 0.00 0.00 46.19 48.00 1hiy s LEU 42 CO -0.04 -0.03 1.06 -1.59 -1.32 0.00 0.00 176.35 174.43 1hiy s LYS 43 N 0.25 0.56 -0.05 1.98 -2.85 -0.71 -5.01 119.74 113.92 1hiy s LYS 43 Ca 0.04 -0.22 0.02 0.00 -1.00 0.00 0.00 55.97 54.82 1hiy s LYS 43 Cb -0.04 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1hiy s LYS 43 CO -0.14 -0.25 -0.10 -1.14 0.10 0.00 0.00 175.35 173.83 1hiy s GLN 44 N -2.75 2.61 0.01 1.78 0.74 -1.26 -1.92 119.66 118.86 1hiy s GLN 44 Ca 0.08 -0.64 -0.28 0.00 0.05 0.00 0.00 55.36 54.56 1hiy s GLN 44 Cb -0.01 -2.49 0.10 0.00 1.10 0.00 0.00 33.01 31.71 1hiy s GLN 44 CO -0.06 0.64 0.88 -0.48 -0.55 0.00 0.00 175.29 175.72 1hiy s LEU 45 N -0.91 -0.36 -0.36 3.68 2.34 -1.09 -4.98 118.68 117.00 1hiy s LEU 45 Ca 0.13 -0.02 -0.08 0.00 0.06 0.00 0.00 54.13 54.22 1hiy s LEU 45 Cb -0.11 2.05 0.05 0.00 -0.56 0.00 0.00 46.19 47.62 1hiy s LEU 45 CO 0.02 -0.65 0.15 -0.69 -1.06 0.00 0.00 176.35 174.12 1hiy s VAL 46 N -3.15 3.98 0.43 1.48 1.01 -1.26 -0.31 120.40 122.58 1hiy s VAL 46 Ca 0.05 -1.15 -0.24 0.00 0.00 0.00 0.00 61.98 60.64 1hiy s VAL 46 Cb -0.01 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 1hiy s VAL 46 CO -0.08 -0.25 0.99 -2.65 0.00 0.00 0.00 175.10 173.10 1hiy n PRO 47 N 4.85 1.28 -3.45 2.72 -0.02 -1.26 -5.01 135.00 134.12 1hiy n PRO 47 Ca -0.12 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 1hiy n PRO 47 Cb 0.44 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1hiy n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1hiy s THR 48 N -1.30 4.96 0.25 3.45 -4.23 -1.26 -4.60 115.64 112.91 1hiy s THR 48 Ca 0.64 0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 61.60 1hiy s THR 48 Cb -0.55 -3.65 0.26 0.00 1.34 0.00 0.00 72.50 69.90 1hiy s THR 48 CO 0.56 0.07 1.66 0.50 -0.54 0.00 0.00 174.62 176.86 1hiy h LYS 49 N 2.98 0.16 -0.83 3.99 3.64 -1.94 1.20 116.57 125.76 1hiy h LYS 49 Ca -0.47 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 1hiy h LYS 49 Cb 1.18 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1hiy h LYS 49 CO 0.68 0.11 0.48 -0.44 -2.27 0.00 0.00 179.45 178.01 1hiy h ASP 50 N 0.17 0.69 0.82 4.20 5.19 -2.00 0.18 116.42 125.67 1hiy h ASP 50 Ca 0.42 0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 56.66 1hiy h ASP 50 Cb 0.74 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1hiy h ASP 50 CO -0.60 0.39 -0.98 0.25 -3.12 0.00 0.00 179.24 175.19 1hiy h LEU 51 N 0.80 0.12 0.13 1.55 5.85 -0.14 -3.03 115.31 120.60 1hiy h LEU 51 Ca 0.40 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1hiy h LEU 51 Cb 0.36 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1hiy h LEU 51 CO -0.24 1.02 -0.06 0.00 -0.34 0.00 0.00 178.44 178.82 1hiy h ALA 52 N 0.96 -0.18 -0.94 1.25 0.00 0.24 -0.04 119.26 120.55 1hiy h ALA 52 Ca -0.04 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1hiy h ALA 52 Cb 1.69 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1hiy h ALA 52 CO 0.14 -0.47 0.62 0.93 0.00 0.00 0.00 179.25 180.47 1hiy h GLU 53 N -0.44 1.21 0.02 0.00 5.08 -0.79 -0.22 114.58 119.45 1hiy h GLU 53 Ca -0.02 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1hiy h GLU 53 Cb 0.35 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1hiy h GLU 53 CO 0.03 0.80 -0.95 1.03 -1.00 0.00 0.00 179.01 178.92 1hiy h SER 54 N 1.25 0.28 -0.18 1.42 0.87 -1.50 -2.22 113.55 113.47 1hiy h SER 54 Ca 0.36 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1hiy h SER 54 Cb -0.09 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1hiy h SER 54 CO -0.09 1.08 0.05 -0.74 -0.53 0.00 0.00 176.83 176.60 1hiy h HIS 55 N 0.10 0.30 -0.61 2.24 -0.00 -0.55 -3.00 115.15 113.62 1hiy h HIS 55 Ca -0.06 -0.03 -0.34 0.00 -0.00 0.00 0.00 60.37 59.94 1hiy h HIS 55 Cb 1.60 -0.08 -0.19 0.00 -0.00 0.00 0.00 27.41 28.74 1hiy h HIS 55 CO 0.03 0.40 0.44 0.66 -0.00 0.00 0.00 177.93 179.46 1hiy n TYR 56 N -4.80 1.91 -0.21 5.26 4.01 -0.13 -4.73 117.16 118.46 1hiy n TYR 56 Ca -0.04 -1.55 -0.07 0.00 -0.16 0.00 0.00 57.90 56.08 1hiy n TYR 56 Cb 0.16 -0.78 -0.01 0.00 -0.31 0.00 0.00 39.34 38.39 1hiy n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hiy h ALA 57 N 1.44 -0.18 0.00 -0.72 0.00 -1.25 -2.09 119.26 116.46 1hiy h ALA 57 Ca 0.39 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1hiy h ALA 57 Cb 1.84 0.89 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1hiy h ALA 57 CO 0.75 -0.75 0.00 -0.85 0.00 0.00 0.00 179.25 178.40 1hiy n GLU 58 N -5.42 0.25 -0.11 0.00 0.28 -1.26 -1.78 120.64 112.60 1hiy n GLU 58 Ca 0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.12 1hiy n GLU 58 Cb 0.35 -1.29 0.13 0.00 1.43 0.00 0.00 31.44 32.07 1hiy n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1hiy n HIS 59 N -0.79 0.00 -0.10 -1.84 8.25 -0.79 -4.81 115.22 115.15 1hiy n HIS 59 Ca 0.03 -0.91 0.23 0.00 -0.26 0.00 0.00 57.72 56.81 1hiy n HIS 59 Cb 0.02 -0.14 0.68 0.00 1.12 0.00 0.00 29.99 31.67 1hiy n HIS 59 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1hiy h LYS 60 N 0.00 0.05 -0.01 -0.41 1.79 -1.47 -2.60 116.57 113.92 1hiy h LYS 60 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hiy h LYS 60 Cb 1.03 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1hiy h LYS 60 CO 0.00 0.03 -0.64 0.39 -1.08 0.00 0.00 179.45 178.15 1hiy n GLU 61 N -4.35 1.29 -2.71 3.15 1.02 -1.26 -4.94 120.64 112.84 1hiy n GLU 61 Ca 0.14 -0.41 -0.36 0.00 -0.02 0.00 0.00 57.16 56.51 1hiy n GLU 61 Cb 0.76 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.77 1hiy n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1hiy s ARG 62 N -2.44 4.31 0.33 3.49 0.52 -0.98 -4.96 118.95 119.22 1hiy s ARG 62 Ca 0.11 1.33 0.11 0.00 -0.52 0.00 0.00 55.73 56.76 1hiy s ARG 62 Cb 0.14 -2.51 0.97 0.00 0.52 0.00 0.00 34.95 34.07 1hiy s ARG 62 CO 0.61 0.02 1.68 -1.00 0.02 0.00 0.00 175.30 176.63 1hiy h PRO 63 N 2.52 0.35 0.00 3.54 0.13 -1.95 -2.18 132.00 134.42 1hiy h PRO 63 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1hiy h PRO 63 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1hiy h PRO 63 CO 0.63 0.23 0.00 0.27 -0.23 0.00 0.00 178.00 178.90 1hiy h PHE 64 N 0.36 0.00 -1.09 1.56 -5.15 -1.93 -3.31 116.94 107.38 1hiy h PHE 64 Ca 0.68 0.00 0.30 0.00 -0.20 0.00 0.00 57.97 58.74 1hiy h PHE 64 Cb 1.46 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 37.54 1hiy h PHE 64 CO -0.06 0.00 0.72 0.35 -2.00 0.00 0.00 178.31 177.32 1hiy h PHE 65 N 0.00 0.52 0.48 6.09 3.04 -1.58 0.49 116.94 125.98 1hiy h PHE 65 Ca 0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1hiy h PHE 65 Cb 0.77 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1hiy h PHE 65 CO 0.00 0.02 -0.23 0.78 -2.02 0.00 0.00 178.31 176.86 1hiy h GLY 66 N 0.29 -0.67 1.01 2.40 0.00 -1.77 -2.71 103.07 101.61 1hiy h GLY 66 Ca 0.61 0.25 0.07 0.00 0.00 0.00 0.00 47.33 48.26 1hiy h GLY 66 CO -0.26 -0.24 0.42 -1.33 0.00 0.00 0.00 176.54 175.13 1hiy h GLY 67 N -0.74 0.00 0.00 4.60 0.00 -0.49 -2.99 103.07 103.46 1hiy h GLY 67 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1hiy h GLY 67 CO 0.11 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.55 1hiy n LEU 68 N -3.36 1.82 -0.41 3.11 0.00 0.13 -3.28 117.00 115.01 1hiy n LEU 68 Ca 0.04 0.22 0.36 0.00 0.00 0.00 0.00 56.01 56.63 1hiy n LEU 68 Cb 0.55 -0.07 0.70 0.00 0.00 0.00 0.00 43.42 44.60 1hiy n LEU 68 CO 0.21 -0.07 1.32 -0.37 0.00 0.00 0.00 177.39 178.48 1hiy h VAL 69 N 0.00 0.31 0.73 1.96 -1.51 -1.51 0.32 116.25 116.55 1hiy h VAL 69 Ca 0.00 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.41 1hiy h VAL 69 Cb 0.00 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 29.37 1hiy h VAL 69 CO 0.00 0.02 -0.47 0.28 -1.23 0.00 0.00 177.57 176.17 1hiy h SER 70 N 0.09 -1.19 -0.29 4.19 0.02 -1.67 -2.99 113.55 111.71 1hiy h SER 70 Ca 0.68 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.68 1hiy h SER 70 Cb 2.44 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 65.32 1hiy h SER 70 CO -0.13 -0.71 0.09 0.15 -1.14 0.00 0.00 176.83 175.09 1hiy h PHE 71 N -1.13 0.47 0.00 3.45 3.57 -0.42 -2.66 116.94 120.23 1hiy h PHE 71 Ca -0.10 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1hiy h PHE 71 Cb 0.92 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1hiy h PHE 71 CO -0.12 0.49 0.00 1.51 -2.23 0.00 0.00 178.31 177.96 1hiy n ILE 72 N -4.70 0.59 -1.29 1.41 3.06 -0.38 -0.17 119.36 117.87 1hiy n ILE 72 Ca -0.02 0.15 0.03 0.00 -2.50 0.00 0.00 62.75 60.40 1hiy n ILE 72 Cb 0.16 -1.13 0.04 0.00 0.54 0.00 0.00 39.64 39.25 1hiy n ILE 72 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1hiy n THR 73 N -1.15 0.65 1.64 9.51 -2.24 -1.09 -4.40 114.28 117.20 1hiy n THR 73 Ca 0.01 -0.75 0.14 0.00 -2.27 0.00 0.00 64.05 61.18 1hiy n THR 73 Cb 0.01 0.39 0.65 0.00 -2.10 0.00 0.00 70.33 69.28 1hiy n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1hiy n SER 74 N -0.46 1.06 -2.44 3.42 3.41 0.76 -4.85 113.62 114.51 1hiy n SER 74 Ca 0.04 -1.36 0.01 0.00 -0.26 0.00 0.00 58.87 57.30 1hiy n SER 74 Cb 0.59 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1hiy n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hiy n GLY 75 N 1.12 0.51 3.76 5.00 0.00 -1.26 -5.09 105.19 109.23 1hiy n GLY 75 Ca 0.20 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 1hiy n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hiy s PRO 76 N -2.01 2.70 -0.02 1.61 0.04 -1.26 -4.30 135.00 131.76 1hiy s PRO 76 Ca 0.15 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1hiy s PRO 76 Cb -0.01 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1hiy s PRO 76 CO 0.00 -1.36 -0.01 0.08 0.04 0.00 0.00 177.00 175.76 1hiy s VAL 77 N -2.14 0.15 -0.70 -0.36 1.01 0.58 -3.34 120.40 115.60 1hiy s VAL 77 Ca 0.70 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 1hiy s VAL 77 Cb -0.24 -0.20 0.13 0.00 0.00 0.00 0.00 36.38 36.07 1hiy s VAL 77 CO 0.40 0.10 0.79 -0.69 0.00 0.00 0.00 175.10 175.70 1hiy s VAL 78 N 0.60 4.97 0.10 2.92 1.01 -1.03 -2.65 120.40 126.32 1hiy s VAL 78 Ca -0.06 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 1hiy s VAL 78 Cb -0.09 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 1hiy s VAL 78 CO -0.01 -1.17 0.72 0.00 0.00 0.00 0.00 175.10 174.64 1hiy s ALA 79 N 2.15 3.46 0.24 5.51 0.00 -0.81 -2.24 121.76 130.07 1hiy s ALA 79 Ca 0.16 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1hiy s ALA 79 Cb -0.18 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1hiy s ALA 79 CO 0.00 0.25 0.44 0.00 0.00 0.00 0.00 175.76 176.46 1hiy s MET 80 N -0.80 1.50 -0.03 0.00 0.23 0.30 -1.74 119.30 118.74 1hiy s MET 80 Ca 0.35 -1.26 -0.01 0.00 -1.03 0.00 0.00 55.69 53.74 1hiy s MET 80 Cb -0.21 0.45 0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1hiy s MET 80 CO 0.23 -0.61 0.03 0.08 -2.03 0.00 0.00 175.02 172.72 1hiy s VAL 81 N -4.02 0.03 0.11 5.16 1.01 -1.16 -0.95 120.40 120.58 1hiy s VAL 81 Ca 0.23 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.54 1hiy s VAL 81 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1hiy s VAL 81 CO 0.08 0.15 -0.17 -0.36 0.00 0.00 0.00 175.10 174.80 1hiy s PHE 82 N 1.50 2.56 0.09 5.22 0.08 -1.14 -1.29 117.98 125.01 1hiy s PHE 82 Ca -0.03 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 56.83 1hiy s PHE 82 Cb -0.13 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1hiy s PHE 82 CO -0.03 0.39 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.32 1hiy s GLU 83 N -2.12 0.93 0.00 0.44 2.12 -0.51 -1.71 118.70 117.85 1hiy s GLU 83 Ca 0.18 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1hiy s GLU 83 Cb -0.11 -0.98 0.00 0.00 0.26 0.00 0.00 34.13 33.30 1hiy s GLU 83 CO 0.10 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 1hiy n GLY 84 N 1.12 3.13 3.62 -1.50 0.00 0.02 -2.28 105.19 109.30 1hiy n GLY 84 Ca -0.20 -1.36 -0.45 0.00 0.00 0.00 0.00 46.02 44.02 1hiy n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hiy n LYS 85 N -1.54 2.18 -1.02 1.61 4.81 -1.26 -1.81 118.16 121.12 1hiy n LYS 85 Ca 0.00 0.72 -0.01 0.00 -0.87 0.00 0.00 58.31 58.15 1hiy n LYS 85 Cb 0.00 -2.95 -0.00 0.00 0.02 0.00 0.00 35.03 32.09 1hiy n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hiy n GLY 86 N 5.20 0.41 0.39 3.14 0.00 -1.26 -4.88 105.19 108.19 1hiy n GLY 86 Ca 0.27 -0.10 0.25 0.00 0.00 0.00 0.00 46.02 46.44 1hiy n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hiy h VAL 87 N 0.00 0.38 -0.23 1.61 3.04 -1.62 -1.38 116.25 118.05 1hiy h VAL 87 Ca -0.02 -0.12 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 1hiy h VAL 87 Cb 0.32 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.60 1hiy h VAL 87 CO 0.02 0.06 0.05 0.58 -1.01 0.00 0.00 177.57 177.27 1hiy h VAL 88 N 0.35 1.22 0.08 1.51 2.07 -1.84 -2.12 116.25 117.51 1hiy h VAL 88 Ca 0.69 -0.72 -0.25 0.00 0.82 0.00 0.00 66.70 67.24 1hiy h VAL 88 Cb 1.71 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1hiy h VAL 88 CO -0.44 0.23 -1.14 0.00 0.02 0.00 0.00 177.57 176.24 1hiy h ALA 89 N 0.86 0.21 -0.62 1.67 0.00 -1.70 -3.21 119.26 116.46 1hiy h ALA 89 Ca 0.07 -0.86 -0.06 0.00 0.00 0.00 0.00 54.91 54.06 1hiy h ALA 89 Cb 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1hiy h ALA 89 CO 0.00 1.00 0.15 1.03 0.00 0.00 0.00 179.25 181.44 1hiy h SER 90 N 0.08 0.94 -0.65 0.00 0.87 -1.28 -2.06 113.55 111.44 1hiy h SER 90 Ca -0.10 -0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1hiy h SER 90 Cb 1.86 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.53 1hiy h SER 90 CO 0.18 0.93 0.41 0.00 -0.53 0.00 0.00 176.83 177.81 1hiy h ALA 91 N 1.05 0.84 0.34 6.23 0.00 -1.46 0.95 119.26 127.20 1hiy h ALA 91 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1hiy h ALA 91 Cb 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hiy h ALA 91 CO 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 179.25 179.27 1hiy h ARG 92 N 0.81 -0.43 -0.81 0.00 2.47 -1.53 0.42 114.38 115.31 1hiy h ARG 92 Ca 0.25 0.03 0.17 0.00 -1.26 0.00 0.00 59.98 59.17 1hiy h ARG 92 Cb -0.01 0.10 -0.11 0.00 -1.65 0.00 0.00 29.97 28.30 1hiy h ARG 92 CO -0.09 -0.28 0.32 1.25 0.56 0.00 0.00 179.97 181.73 1hiy h LEU 93 N -0.46 0.27 -0.69 3.04 5.85 -0.97 0.13 115.31 122.49 1hiy h LEU 93 Ca -0.05 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1hiy h LEU 93 Cb 0.35 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1hiy h LEU 93 CO 0.08 0.06 -0.56 0.24 -0.34 0.00 0.00 178.44 177.91 1hiy h MET 94 N 0.42 0.26 -0.40 1.25 2.86 -0.04 -3.16 114.93 116.12 1hiy h MET 94 Ca 0.47 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.82 1hiy h MET 94 Cb 0.78 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1hiy h MET 94 CO -0.46 0.76 -0.24 0.82 1.06 0.00 0.00 176.91 178.85 1hiy h ILE 95 N 0.20 1.27 0.00 -1.22 2.04 0.24 -0.25 117.51 119.79 1hiy h ILE 95 Ca -0.00 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1hiy h ILE 95 Cb 1.05 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1hiy h ILE 95 CO 0.09 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.31 1hiy n GLY 96 N -0.18 0.22 3.79 5.37 0.00 -0.24 -0.92 105.19 113.22 1hiy n GLY 96 Ca -0.00 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 1hiy n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hiy s VAL 97 N 0.00 1.61 0.27 1.61 -7.23 -1.26 -4.69 120.40 110.71 1hiy s VAL 97 Ca 0.00 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1hiy s VAL 97 Cb 0.00 -2.40 0.26 0.00 0.56 0.00 0.00 36.38 34.80 1hiy s VAL 97 CO 0.00 0.00 1.80 0.74 -0.31 0.00 0.00 175.10 177.33 1hiy h THR 98 N 1.23 0.82 -3.66 5.32 2.02 -1.98 -3.38 112.91 113.28 1hiy h THR 98 Ca -0.42 -0.28 -0.66 0.00 0.77 0.00 0.00 66.41 65.83 1hiy h THR 98 Cb 1.29 -0.05 -0.17 0.00 -1.74 0.00 0.00 68.15 67.48 1hiy h THR 98 CO 0.69 0.15 -0.27 0.21 0.37 0.00 0.00 175.52 176.67 1hiy s ASN 99 N -5.54 6.19 0.33 4.18 3.04 -1.26 -4.71 114.94 117.16 1hiy s ASN 99 Ca -0.12 -0.21 0.11 0.00 0.04 0.00 0.00 52.86 52.67 1hiy s ASN 99 Cb 0.22 -2.20 0.92 0.00 -1.54 0.00 0.00 41.25 38.65 1hiy s ASN 99 CO 0.79 -0.35 1.72 -0.65 -3.04 0.00 0.00 177.10 175.58 1hiy h PRO 100 N 8.46 0.53 0.00 0.43 0.11 -1.84 0.55 132.00 140.24 1hiy h PRO 100 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1hiy h PRO 100 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1hiy h PRO 100 CO 0.70 0.35 0.00 -0.07 -0.21 0.00 0.00 178.00 178.77 1hiy h LEU 101 N 0.54 0.00 -1.55 2.35 3.38 -1.77 -1.07 115.31 117.19 1hiy h LEU 101 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.62 1hiy h LEU 101 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1hiy h LEU 101 CO -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.03 1hiy n ALA 102 N -1.81 2.53 -2.60 1.53 0.00 0.17 -4.94 120.51 115.39 1hiy n ALA 102 Ca 0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1hiy n ALA 102 Cb 0.18 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1hiy n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hiy s SER 103 N -1.36 7.25 0.67 0.00 0.01 -0.41 -4.86 113.70 115.01 1hiy s SER 103 Ca 0.18 1.78 -0.17 0.00 1.31 0.00 0.00 55.95 59.05 1hiy s SER 103 Cb 0.13 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.80 1hiy s SER 103 CO 0.21 -0.36 1.25 0.00 0.41 0.00 0.00 173.24 174.76 1hiy s ALA 104 N 1.14 2.29 0.36 1.44 0.00 -1.26 -4.25 121.76 121.47 1hiy s ALA 104 Ca 0.54 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 53.30 1hiy s ALA 104 Cb -0.24 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.27 1hiy s ALA 104 CO 0.28 -1.67 1.28 -2.14 0.00 0.00 0.00 175.76 173.51 1hiy s PRO 105 N -3.57 4.22 0.00 0.00 0.02 -1.26 -3.15 135.00 131.26 1hiy s PRO 105 Ca 0.79 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1hiy s PRO 105 Cb -0.34 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1hiy s PRO 105 CO 0.41 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 1hiy n GLY 106 N 0.76 1.06 3.85 0.52 0.00 -1.26 -4.96 105.19 105.15 1hiy n GLY 106 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1hiy n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hiy s SER 107 N -1.88 5.77 0.12 1.61 1.04 -1.19 -4.94 113.70 114.22 1hiy s SER 107 Ca 0.00 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 1hiy s SER 107 Cb 0.00 -1.57 -0.07 0.00 0.10 0.00 0.00 66.02 64.47 1hiy s SER 107 CO 0.00 0.04 1.60 0.40 0.98 0.00 0.00 173.24 176.26 1hiy h ILE 108 N 1.80 0.23 -0.80 -1.02 2.04 -1.11 -0.07 117.51 118.58 1hiy h ILE 108 Ca -0.48 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1hiy h ILE 108 Cb 1.21 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1hiy h ILE 108 CO 0.64 0.00 0.36 0.03 0.00 0.00 0.00 178.15 179.18 1hiy h ARG 109 N -0.54 1.17 -0.94 2.37 3.08 -1.28 -1.09 114.38 117.15 1hiy h ARG 109 Ca 0.05 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1hiy h ARG 109 Cb 0.61 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1hiy h ARG 109 CO -0.27 0.92 0.62 0.78 -1.07 0.00 0.00 179.97 180.95 1hiy h GLY 110 N 1.14 1.34 1.62 0.04 0.00 -1.54 0.27 103.07 105.95 1hiy h GLY 110 Ca 0.27 -0.48 -0.27 0.00 0.00 0.00 0.00 47.33 46.85 1hiy h GLY 110 CO -0.03 0.45 -1.26 -0.55 0.00 0.00 0.00 176.54 175.15 1hiy h ASP 111 N 1.24 0.33 -0.00 0.19 3.32 -0.49 -3.40 116.42 117.60 1hiy h ASP 111 Ca 0.36 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1hiy h ASP 111 Cb -0.09 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1hiy h ASP 111 CO -0.09 1.29 -0.01 0.49 -1.72 0.00 0.00 179.24 179.21 1hiy n PHE 112 N -3.47 0.00 -3.71 4.55 3.01 -0.46 -5.06 117.46 112.32 1hiy n PHE 112 Ca -0.08 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.07 1hiy n PHE 112 Cb 1.01 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.44 1hiy n PHE 112 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1hiy s GLY 113 N -0.78 2.12 0.00 1.37 0.00 0.95 -4.98 107.32 106.00 1hiy s GLY 113 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1hiy s GLY 113 CO 0.01 -0.60 0.00 1.55 0.00 0.00 0.00 173.10 174.06 1hiy n VAL 114 N -0.08 0.00 -4.36 1.40 3.14 -1.26 -4.30 118.33 112.87 1hiy n VAL 114 Ca -0.03 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.11 1hiy n VAL 114 Cb 0.52 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.13 1hiy n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1hiy s ASP 115 N -0.63 1.70 0.35 6.55 -1.08 -1.26 -4.42 116.67 117.88 1hiy s ASP 115 Ca 0.00 -0.26 0.14 0.00 -0.52 0.00 0.00 52.55 51.90 1hiy s ASP 115 Cb 0.00 -0.75 1.01 0.00 -1.46 0.00 0.00 42.92 41.71 1hiy s ASP 115 CO 0.00 -0.02 1.72 0.58 0.52 0.00 0.00 175.17 177.97 1hiy h VAL 116 N 6.05 0.46 0.00 1.11 2.07 -1.96 0.34 116.25 124.32 1hiy h VAL 116 Ca -0.32 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1hiy h VAL 116 Cb 1.17 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1hiy h VAL 116 CO 0.46 0.08 -0.19 1.23 0.02 0.00 0.00 177.57 179.17 1hiy h GLY 117 N 0.46 0.00 -5.85 2.17 0.00 -1.95 -3.20 103.07 94.70 1hiy h GLY 117 Ca 0.66 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.41 1hiy h GLY 117 CO -0.46 0.00 -0.73 0.54 0.00 0.00 0.00 176.54 175.89 1hiy n ARG 118 N -3.70 2.40 -1.02 4.80 5.12 0.12 -4.89 116.66 119.48 1hiy n ARG 118 Ca -0.01 -4.44 -0.04 0.00 -1.93 0.00 0.00 57.85 51.43 1hiy n ARG 118 Cb 0.31 -2.07 0.33 0.00 -1.16 0.00 0.00 32.46 29.87 1hiy n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1hiy n ASN 119 N 0.50 5.09 0.00 0.55 6.94 -1.10 -4.12 115.26 123.12 1hiy n ASN 119 Ca 0.29 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.68 1hiy n ASN 119 Cb 0.44 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 1hiy n ASN 119 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1hiy n ILE 120 N 0.02 0.00 -4.35 1.53 5.41 -1.26 -4.84 119.36 115.87 1hiy n ILE 120 Ca 0.39 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.93 1hiy n ILE 120 Cb 1.37 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 40.19 1hiy n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1hiy s ILE 121 N 0.00 1.84 -0.04 1.39 2.07 -1.26 -0.43 121.20 124.77 1hiy s ILE 121 Ca 0.00 -2.09 0.07 0.00 -1.41 0.00 0.00 60.65 57.22 1hiy s ILE 121 Cb 0.00 -1.97 -0.01 0.00 0.13 0.00 0.00 42.46 40.61 1hiy s ILE 121 CO 0.00 -0.44 -0.24 -2.28 -1.91 0.00 0.00 174.94 170.06 1hiy s HIS 122 N -2.49 2.27 -0.02 3.50 5.65 0.13 -4.92 115.29 119.41 1hiy s HIS 122 Ca 0.20 -0.56 0.01 0.00 0.25 0.00 0.00 55.06 54.96 1hiy s HIS 122 Cb -0.04 -1.48 0.02 0.00 -1.18 0.00 0.00 32.58 29.90 1hiy s HIS 122 CO 0.07 -0.13 -0.01 0.20 -0.65 0.00 0.00 174.74 174.23 1hiy s GLY 123 N -0.35 0.20 0.18 1.59 0.00 -1.26 -1.02 107.32 106.66 1hiy s GLY 123 Ca 0.03 0.06 -0.32 0.00 0.00 0.00 0.00 44.72 44.48 1hiy s GLY 123 CO 0.01 0.33 1.09 1.44 0.00 0.00 0.00 173.10 175.97 1hiy n SER 124 N 3.70 1.09 0.08 1.64 7.64 -0.52 -4.88 113.62 122.37 1hiy n SER 124 Ca -0.22 1.15 0.13 0.00 1.01 0.00 0.00 58.87 60.94 1hiy n SER 124 Cb 0.54 -1.19 0.35 0.00 -1.01 0.00 0.00 64.21 62.89 1hiy n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1hiy n ASP 125 N 1.88 0.70 -3.47 6.43 5.68 -1.26 -4.80 116.55 121.71 1hiy n ASP 125 Ca 0.15 0.40 -0.10 0.00 -0.50 0.00 0.00 54.79 54.74 1hiy n ASP 125 Cb 0.25 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 1hiy n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1hiy s SER 126 N -4.25 -0.44 0.24 -1.12 1.04 -1.26 -4.90 113.70 103.01 1hiy s SER 126 Ca 0.10 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.46 1hiy s SER 126 Cb 0.13 0.46 0.43 0.00 0.10 0.00 0.00 66.02 67.15 1hiy s SER 126 CO 0.63 -0.74 1.64 0.58 0.98 0.00 0.00 173.24 176.33 1hiy h VAL 127 N 2.00 0.37 -0.41 5.02 2.07 -1.91 0.35 116.25 123.75 1hiy h VAL 127 Ca -0.26 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1hiy h VAL 127 Cb 1.27 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1hiy h VAL 127 CO 0.33 0.02 0.10 -0.33 0.02 0.00 0.00 177.57 177.71 1hiy h GLU 128 N 0.13 0.23 0.00 1.57 3.07 -1.98 0.11 114.58 117.71 1hiy h GLU 128 Ca 0.41 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.17 1hiy h GLU 128 Cb 0.72 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1hiy h GLU 128 CO -0.63 0.15 -0.41 0.66 -1.40 0.00 0.00 179.01 177.38 1hiy h SER 129 N 0.24 0.00 0.65 1.42 4.64 -1.62 -1.87 113.55 117.01 1hiy h SER 129 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1hiy h SER 129 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1hiy h SER 129 CO -0.24 0.41 -0.45 0.00 -0.87 0.00 0.00 176.83 175.68 1hiy h ALA 130 N 1.59 -1.12 -0.66 5.18 0.00 0.60 0.30 119.26 125.16 1hiy h ALA 130 Ca -0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1hiy h ALA 130 Cb 1.30 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 1hiy h ALA 130 CO 0.05 -1.15 0.44 -0.91 0.00 0.00 0.00 179.25 177.68 1hiy h ASN 131 N -1.06 0.63 0.27 0.00 -0.26 -0.80 0.45 115.58 114.81 1hiy h ASN 131 Ca -0.08 -0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.53 1hiy h ASN 131 Cb 0.87 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.98 1hiy h ASN 131 CO 0.05 0.42 -0.50 -0.09 -1.06 0.00 0.00 177.43 176.25 1hiy h ARG 132 N 0.72 0.27 0.09 0.81 2.43 -0.98 -2.92 114.38 114.79 1hiy h ARG 132 Ca 0.27 -0.15 -0.26 0.00 -0.81 0.00 0.00 59.98 59.04 1hiy h ARG 132 Cb 0.17 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1hiy h ARG 132 CO -0.08 0.70 -1.14 0.93 -1.51 0.00 0.00 179.97 178.87 1hiy h GLU 133 N 0.21 0.28 0.17 0.20 5.08 0.21 -2.94 114.58 117.80 1hiy h GLU 133 Ca 0.01 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1hiy h GLU 133 Cb 0.95 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1hiy h GLU 133 CO 0.08 1.17 -0.08 0.82 -1.00 0.00 0.00 179.01 179.99 1hiy h ILE 134 N 0.11 0.00 -0.98 3.13 2.04 -0.23 -2.61 117.51 118.96 1hiy h ILE 134 Ca -0.11 -0.12 0.29 0.00 1.00 0.00 0.00 64.86 65.91 1hiy h ILE 134 Cb 1.84 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.74 1hiy h ILE 134 CO 0.19 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.43 1hiy h ALA 135 N -1.77 1.28 -0.54 1.87 0.00 -1.66 0.78 119.26 119.22 1hiy h ALA 135 Ca -0.02 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1hiy h ALA 135 Cb 0.18 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1hiy h ALA 135 CO 0.04 -0.61 0.30 1.25 0.00 0.00 0.00 179.25 180.23 1hiy h LEU 136 N 0.02 0.68 0.03 0.00 5.85 -1.55 -3.27 115.31 117.07 1hiy h LEU 136 Ca 0.62 -0.09 -0.33 0.00 0.84 0.00 0.00 57.88 58.92 1hiy h LEU 136 Cb 1.33 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1hiy h LEU 136 CO -0.89 0.58 -1.98 0.79 -0.34 0.00 0.00 178.44 176.60 1hiy n TRP 137 N -4.62 0.76 -4.30 1.25 7.02 0.01 -4.92 117.44 112.66 1hiy n TRP 137 Ca 0.03 0.24 -0.34 0.00 -1.02 0.00 0.00 57.50 56.40 1hiy n TRP 137 Cb 0.09 -1.13 -0.14 0.00 -2.42 0.00 0.00 31.31 27.71 1hiy n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1hiy s PHE 138 N -2.56 2.92 0.09 -5.99 0.08 0.25 -5.09 117.98 107.68 1hiy s PHE 138 Ca -0.12 -0.74 -0.30 0.00 0.12 0.00 0.00 56.93 55.89 1hiy s PHE 138 Cb 0.07 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.48 1hiy s PHE 138 CO 0.79 -0.35 0.98 0.15 -0.10 0.00 0.00 175.22 176.70 1hiy s LYS 139 N 0.89 4.65 0.59 0.44 1.02 -1.26 -4.09 119.74 121.98 1hiy s LYS 139 Ca -0.02 1.48 0.34 0.00 0.02 0.00 0.00 55.97 57.80 1hiy s LYS 139 Cb -0.15 -3.38 1.23 0.00 -0.52 0.00 0.00 37.83 35.01 1hiy s LYS 139 CO 0.01 0.14 1.45 -1.00 -0.92 0.00 0.00 175.35 175.02 1hiy h PRO 140 N 5.81 0.00 -0.04 -1.68 0.13 -1.96 0.18 132.00 134.45 1hiy h PRO 140 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 1hiy h PRO 140 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1hiy h PRO 140 CO 0.73 0.00 -0.35 1.05 -0.23 0.00 0.00 178.00 179.20 1hiy h GLU 141 N 0.00 0.07 0.00 0.86 4.11 -1.99 -2.91 114.58 114.72 1hiy h GLU 141 Ca 0.61 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.02 1hiy h GLU 141 Cb 3.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.29 1hiy h GLU 141 CO -0.01 0.41 0.00 0.39 0.07 0.00 0.00 179.01 179.88 1hiy n GLU 142 N -4.11 0.13 -3.62 1.06 1.02 0.63 -4.85 120.64 110.91 1hiy n GLU 142 Ca -0.02 0.08 -0.20 0.00 -0.02 0.00 0.00 57.16 57.01 1hiy n GLU 142 Cb 0.40 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 1hiy n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hiy s LEU 143 N -2.84 4.00 0.00 -4.62 1.43 -1.10 -4.52 118.68 111.03 1hiy s LEU 143 Ca 0.16 -0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1hiy s LEU 143 Cb 0.16 -2.71 0.17 0.00 0.03 0.00 0.00 46.19 43.84 1hiy s LEU 143 CO 0.41 -0.34 1.08 0.18 0.23 0.00 0.00 176.35 177.91 1hiy n LEU 144 N -1.56 0.00 0.08 1.79 4.77 -0.57 -5.01 117.00 116.50 1hiy n LEU 144 Ca -0.02 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1hiy n LEU 144 Cb 0.58 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1hiy n LEU 144 CO 0.43 -1.17 0.00 0.41 -1.33 0.00 0.00 177.39 175.73 1hiy n THR 145 N -3.24 0.00 -2.59 -5.08 -1.04 -1.26 -5.03 114.28 96.05 1hiy n THR 145 Ca 0.15 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.73 1hiy n THR 145 Cb 0.54 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.63 1hiy n THR 145 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1hiy s GLU 146 N -2.00 4.17 -0.15 -2.82 2.12 -1.26 -4.99 118.70 113.77 1hiy s GLU 146 Ca 0.00 1.32 -0.07 0.00 0.36 0.00 0.00 54.97 56.58 1hiy s GLU 146 Cb 0.00 -3.71 0.06 0.00 0.26 0.00 0.00 34.13 30.74 1hiy s GLU 146 CO 0.00 -0.77 0.34 0.54 -0.54 0.00 0.00 175.26 174.83 1hiy s VAL 147 N 3.50 -0.18 -0.27 3.70 0.11 -1.26 -5.11 120.40 120.89 1hiy s VAL 147 Ca 0.48 0.15 -0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1hiy s VAL 147 Cb -0.16 -0.53 0.15 0.00 -1.53 0.00 0.00 36.38 34.32 1hiy s VAL 147 CO 0.12 0.06 0.42 -0.75 -3.33 0.00 0.00 175.10 171.62 1hiy s LYS 148 N 1.70 0.40 1.07 1.54 2.20 -1.26 -5.14 119.74 120.25 1hiy s LYS 148 Ca -0.07 0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 55.78 1hiy s LYS 148 Cb -0.10 -0.29 0.25 0.00 -1.51 0.00 0.00 37.83 36.18 1hiy s LYS 148 CO -0.11 -0.81 1.28 -1.25 -0.36 0.00 0.00 175.35 174.09 1hiy s PRO 149 N 2.58 -0.22 -0.30 4.03 0.04 -1.26 -4.87 135.00 134.99 1hiy s PRO 149 Ca 0.12 -0.41 -0.41 0.00 0.04 0.00 0.00 61.00 60.34 1hiy s PRO 149 Cb -0.14 -1.74 -0.17 0.00 0.04 0.00 0.00 34.50 32.49 1hiy s PRO 149 CO -0.22 -2.99 1.68 -1.71 0.04 0.00 0.00 177.00 173.80 1hiy n ASN 150 N -4.18 2.06 -0.30 6.66 2.85 -1.26 -4.72 115.26 116.38 1hiy n ASN 150 Ca 0.16 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.73 1hiy n ASN 150 Cb 0.59 -1.08 0.00 0.00 1.24 0.00 0.00 39.78 40.53 1hiy n ASN 150 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1hiy n PRO 151 N 4.89 0.14 -0.05 1.20 -0.02 -1.26 -0.82 135.00 139.07 1hiy n PRO 151 Ca 0.27 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 1hiy n PRO 151 Cb 0.09 -1.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.61 1hiy n PRO 151 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1hiy n ASN 152 N 0.06 2.30 -0.09 2.55 3.02 -1.26 -4.52 115.26 117.32 1hiy n ASN 152 Ca 0.00 -1.65 -0.16 0.00 -0.03 0.00 0.00 54.58 52.74 1hiy n ASN 152 Cb 0.02 -0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.04 1hiy n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1hiy h LEU 153 N 2.34 0.00 -9.84 3.41 4.07 -1.32 -3.48 115.31 110.49 1hiy h LEU 153 Ca 0.00 -0.34 -0.60 0.00 0.08 0.00 0.00 57.88 57.02 1hiy h LEU 153 Cb 0.58 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.26 1hiy h LEU 153 CO 0.00 1.25 -0.53 -0.31 -1.08 0.00 0.00 178.44 177.77 1hiy s TYR 154 N -2.32 3.37 -2.64 1.13 2.02 -1.26 -5.16 117.35 112.49 1hiy s TYR 154 Ca -0.24 0.14 0.27 0.00 -0.37 0.00 0.00 57.07 56.87 1hiy s TYR 154 Cb 0.05 -1.67 0.80 0.00 -0.40 0.00 0.00 41.96 40.74 1hiy s TYR 154 CO 0.47 0.55 1.61 -1.91 -1.57 0.00 0.00 175.55 174.69