#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hhq n ASN 7 N 0.00 0.83 -1.28 6.55 5.03 -1.26 -3.51 115.26 121.61 1hhq n ASN 7 Ca 0.00 -1.88 0.11 0.00 0.87 0.00 0.00 54.58 53.69 1hhq n ASN 7 Cb 0.00 -0.09 0.31 0.00 -1.02 0.00 0.00 39.78 38.97 1hhq n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1hhq n LYS 8 N -0.10 2.74 -1.82 3.52 5.02 -1.26 -3.30 118.16 122.95 1hhq n LYS 8 Ca 0.08 -2.60 -0.37 0.00 -2.02 0.00 0.00 58.31 53.40 1hhq n LYS 8 Cb 0.15 -1.54 0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1hhq n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1hhq s GLU 9 N -1.01 2.70 0.07 1.97 2.12 -1.22 -4.69 118.70 118.63 1hhq s GLU 9 Ca 0.46 2.02 0.02 0.00 0.36 0.00 0.00 54.97 57.83 1hhq s GLU 9 Cb 0.24 -1.89 -0.03 0.00 0.26 0.00 0.00 34.13 32.71 1hhq s GLU 9 CO 0.32 -1.47 -0.08 1.03 -0.54 0.00 0.00 175.26 174.52 1hhq s ARG 10 N -3.33 0.67 0.05 4.30 0.52 -1.26 -0.59 118.95 119.31 1hhq s ARG 10 Ca 0.81 -1.01 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1hhq s ARG 10 Cb -0.36 -0.28 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 1hhq s ARG 10 CO 0.38 0.03 -0.04 -0.08 0.02 0.00 0.00 175.30 175.62 1hhq s THR 11 N -2.32 0.26 -0.18 0.02 -1.32 -0.83 -4.71 115.64 106.57 1hhq s THR 11 Ca -0.00 -1.63 -0.07 0.00 -1.21 0.00 0.00 61.69 58.78 1hhq s THR 11 Cb -0.04 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.65 1hhq s THR 11 CO -0.02 -0.87 0.05 0.12 -2.21 0.00 0.00 174.62 171.69 1hhq s PHE 12 N -3.34 3.22 -0.03 9.09 5.36 -1.26 -2.53 117.98 128.49 1hhq s PHE 12 Ca 0.03 0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.08 1hhq s PHE 12 Cb 0.04 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.65 1hhq s PHE 12 CO -0.07 0.14 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.14 1hhq s LEU 13 N 0.32 1.97 -0.07 6.12 1.43 -0.33 -1.71 118.68 126.42 1hhq s LEU 13 Ca 0.02 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1hhq s LEU 13 Cb -0.13 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.14 1hhq s LEU 13 CO 0.01 0.19 -0.03 0.00 0.23 0.00 0.00 176.35 176.75 1hhq s ALA 14 N -0.18 0.79 -0.35 4.21 0.00 -0.29 -0.68 121.76 125.26 1hhq s ALA 14 Ca 0.01 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 1hhq s ALA 14 Cb -0.10 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1hhq s ALA 14 CO 0.01 -0.29 0.80 0.08 0.00 0.00 0.00 175.76 176.36 1hhq s VAL 15 N 1.56 4.73 0.94 0.00 1.01 -0.56 -0.96 120.40 127.13 1hhq s VAL 15 Ca -0.01 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 1hhq s VAL 15 Cb -0.13 -4.21 0.16 0.00 0.00 0.00 0.00 36.38 32.19 1hhq s VAL 15 CO -0.04 -0.40 1.09 0.00 0.00 0.00 0.00 175.10 175.75 1hhq s ALA 16 N 3.12 1.22 0.46 5.51 0.00 0.16 -2.52 121.76 129.70 1hhq s ALA 16 Ca 0.32 -0.06 0.26 0.00 0.00 0.00 0.00 51.96 52.49 1hhq s ALA 16 Cb -0.13 -3.21 1.30 0.00 0.00 0.00 0.00 23.12 21.08 1hhq s ALA 16 CO 0.16 -2.63 1.79 -1.35 0.00 0.00 0.00 175.76 173.73 1hhq h PRO 17 N -1.75 0.21 -0.20 0.00 0.11 -1.86 0.52 132.00 129.03 1hhq h PRO 17 Ca -0.51 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 1hhq h PRO 17 Cb 1.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1hhq h PRO 17 CO 0.53 0.14 -0.48 0.38 -0.21 0.00 0.00 178.00 178.36 1hhq h ASP 18 N 0.22 0.58 -0.46 -2.05 2.03 -1.88 0.14 116.42 115.00 1hhq h ASP 18 Ca 0.58 -0.29 -0.12 0.00 -0.73 0.00 0.00 57.03 56.47 1hhq h ASP 18 Cb 1.81 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 40.14 1hhq h ASP 18 CO -0.18 0.97 -0.18 1.23 -1.03 0.00 0.00 179.24 180.06 1hhq h GLY 19 N 1.08 1.01 0.72 7.15 0.00 -1.07 -1.75 103.07 110.21 1hhq h GLY 19 Ca 0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 1hhq h GLY 19 CO 0.09 0.80 -0.02 -2.08 0.00 0.00 0.00 176.54 175.33 1hhq h VAL 20 N 0.78 1.14 -0.41 4.60 2.07 -1.30 -2.10 116.25 121.03 1hhq h VAL 20 Ca 0.11 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 67.09 1hhq h VAL 20 Cb 0.74 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1hhq h VAL 20 CO 0.06 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.09 1hhq h ALA 21 N 0.59 2.22 -0.23 1.67 0.00 -0.92 -0.59 119.26 122.00 1hhq h ALA 21 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hhq h ALA 21 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hhq h ALA 21 CO 0.01 -0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.48 1hhq n ARG 22 N -4.45 1.79 -3.15 0.00 1.74 -0.67 -4.94 116.66 106.98 1hhq n ARG 22 Ca 0.06 -1.20 -0.14 0.00 -0.77 0.00 0.00 57.85 55.80 1hhq n ARG 22 Cb 0.39 -1.37 0.07 0.00 -1.02 0.00 0.00 32.46 30.53 1hhq n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hhq n GLY 23 N 1.14 -0.20 0.35 -0.13 0.00 -0.23 -4.95 105.19 101.16 1hhq n GLY 23 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1hhq n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hhq n LEU 24 N -3.54 2.14 0.36 0.99 4.77 -0.81 -4.76 117.00 116.16 1hhq n LEU 24 Ca -0.21 -1.56 -0.18 0.00 -0.03 0.00 0.00 56.01 54.03 1hhq n LEU 24 Cb 0.63 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1hhq n LEU 24 CO 0.49 0.50 0.63 0.58 -1.33 0.00 0.00 177.39 178.26 1hhq h VAL 25 N 1.31 0.28 -1.01 4.08 2.07 -1.89 -0.70 116.25 120.40 1hhq h VAL 25 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1hhq h VAL 25 Cb 0.49 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1hhq h VAL 25 CO 0.00 0.00 0.66 1.23 0.02 0.00 0.00 177.57 179.48 1hhq h GLY 26 N -0.93 1.45 1.01 2.17 0.00 -1.98 -0.25 103.07 104.54 1hhq h GLY 26 Ca -0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1hhq h GLY 26 CO 0.12 0.48 0.36 -2.09 0.00 0.00 0.00 176.54 175.40 1hhq h GLU 27 N 1.32 1.04 -0.18 4.80 4.57 -1.85 0.65 114.58 124.93 1hhq h GLU 27 Ca 0.39 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1hhq h GLU 27 Cb -0.08 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.32 1hhq h GLU 27 CO -0.10 0.81 -0.13 0.82 -1.18 0.00 0.00 179.01 179.23 1hhq h ILE 28 N 1.02 1.32 -0.83 2.32 2.04 -0.41 -2.79 117.51 120.18 1hhq h ILE 28 Ca 0.25 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 1hhq h ILE 28 Cb 0.11 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1hhq h ILE 28 CO -0.03 0.37 0.42 0.40 0.00 0.00 0.00 178.15 179.31 1hhq h ILE 29 N 0.08 1.25 -0.78 -0.67 2.04 -0.92 -2.51 117.51 116.01 1hhq h ILE 29 Ca 0.04 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.30 1hhq h ILE 29 Cb 0.63 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1hhq h ILE 29 CO 0.03 0.29 0.51 0.00 0.00 0.00 0.00 178.15 178.99 1hhq h ALA 30 N 1.22 1.70 -0.33 1.87 0.00 -0.80 -0.92 119.26 122.01 1hhq h ALA 30 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1hhq h ALA 30 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1hhq h ALA 30 CO -0.04 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.46 1hhq h ARG 31 N 0.78 0.52 0.00 0.00 3.08 -1.17 -1.44 114.38 116.16 1hhq h ARG 31 Ca 0.34 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 1hhq h ARG 31 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1hhq h ARG 31 CO -0.12 0.57 -0.54 1.88 -1.07 0.00 0.00 179.97 180.69 1hhq h TYR 32 N 0.37 0.00 -0.16 3.04 0.05 -1.40 -2.27 116.97 116.61 1hhq h TYR 32 Ca 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 1hhq h TYR 32 Cb 0.28 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 1hhq h TYR 32 CO 0.01 0.54 -0.04 0.93 -1.05 0.00 0.00 178.16 178.55 1hhq h GLU 33 N 0.00 0.30 -0.42 4.88 5.08 -1.02 -2.46 114.58 120.93 1hhq h GLU 33 Ca -0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1hhq h GLU 33 Cb 1.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1hhq h GLU 33 CO 0.07 0.58 0.16 0.87 -1.00 0.00 0.00 179.01 179.69 1hhq h LYS 34 N 0.01 0.60 0.00 2.33 1.57 -1.18 -1.49 116.57 118.40 1hhq h LYS 34 Ca 0.04 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1hhq h LYS 34 Cb 0.47 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1hhq h LYS 34 CO 0.02 0.51 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.07 1hhq h LYS 35 N 0.60 0.00 0.00 3.15 1.63 -1.28 -3.46 116.57 117.21 1hhq h LYS 35 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1hhq h LYS 35 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1hhq h LYS 35 CO -0.01 0.11 0.00 0.41 -3.45 0.00 0.00 179.45 176.51 1hhq n GLY 36 N -0.80 0.77 3.79 5.01 0.00 -0.56 -5.10 105.19 108.29 1hhq n GLY 36 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1hhq n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hhq s PHE 37 N -2.00 3.23 -0.18 1.61 0.08 -0.94 -4.75 117.98 115.03 1hhq s PHE 37 Ca 0.00 1.63 -0.08 0.00 0.12 0.00 0.00 56.93 58.60 1hhq s PHE 37 Cb 0.00 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1hhq s PHE 37 CO 0.00 -0.61 0.08 0.08 -0.10 0.00 0.00 175.22 174.67 1hhq s VAL 38 N -1.75 4.97 -0.14 -0.44 1.01 -0.56 -4.46 120.40 119.04 1hhq s VAL 38 Ca 0.60 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 1hhq s VAL 38 Cb -0.20 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1hhq s VAL 38 CO 0.25 0.46 1.48 -0.22 0.00 0.00 0.00 175.10 177.08 1hhq s LEU 39 N 0.29 4.18 -0.01 3.92 2.96 -1.26 -0.26 118.68 128.49 1hhq s LEU 39 Ca 0.05 1.88 0.14 0.00 -0.22 0.00 0.00 54.13 55.98 1hhq s LEU 39 Cb -0.12 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.83 1hhq s LEU 39 CO -0.00 -0.93 0.36 0.52 -1.32 0.00 0.00 176.35 174.99 1hhq n VAL 40 N 5.63 0.00 -3.65 1.68 0.31 0.14 -4.92 118.33 117.52 1hhq n VAL 40 Ca 0.16 -0.29 -0.15 0.00 -0.01 0.00 0.00 64.34 64.05 1hhq n VAL 40 Cb 0.44 0.36 -0.08 0.00 -0.91 0.00 0.00 33.84 33.65 1hhq n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1hhq s GLY 41 N -3.31 -0.40 -0.28 2.92 0.00 -1.09 -0.79 107.32 104.36 1hhq s GLY 41 Ca -0.03 1.16 -0.21 0.00 0.00 0.00 0.00 44.72 45.64 1hhq s GLY 41 CO 0.57 0.90 0.78 -2.27 0.00 0.00 0.00 173.10 173.09 1hhq s LEU 42 N -0.59 -0.75 -0.25 0.66 2.96 -1.26 -1.44 118.68 118.01 1hhq s LEU 42 Ca -0.07 1.33 -0.28 0.00 -0.22 0.00 0.00 54.13 54.88 1hhq s LEU 42 Cb -0.03 2.28 0.17 0.00 0.50 0.00 0.00 46.19 49.11 1hhq s LEU 42 CO 0.05 -0.22 1.25 -1.59 -1.32 0.00 0.00 176.35 174.51 1hhq s LYS 43 N 0.88 0.24 -0.02 1.98 -2.85 -0.53 -5.01 119.74 114.44 1hhq s LYS 43 Ca -0.04 0.11 -0.02 0.00 -1.00 0.00 0.00 55.97 55.02 1hhq s LYS 43 Cb -0.05 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 1hhq s LYS 43 CO -0.09 -0.07 0.12 -1.14 0.10 0.00 0.00 175.35 174.28 1hhq s GLN 44 N -0.75 3.25 0.06 1.78 0.74 -1.26 0.15 119.66 123.62 1hhq s GLN 44 Ca 0.05 -0.38 -0.27 0.00 0.05 0.00 0.00 55.36 54.81 1hhq s GLN 44 Cb -0.02 -2.98 0.09 0.00 1.10 0.00 0.00 33.01 31.20 1hhq s GLN 44 CO -0.07 0.67 0.94 -0.48 -0.55 0.00 0.00 175.29 175.81 1hhq s LEU 45 N -1.71 -0.27 -0.39 3.68 2.34 0.74 -4.95 118.68 118.13 1hhq s LEU 45 Ca 0.23 -0.18 -0.06 0.00 0.06 0.00 0.00 54.13 54.18 1hhq s LEU 45 Cb -0.12 2.04 0.08 0.00 -0.56 0.00 0.00 46.19 47.62 1hhq s LEU 45 CO 0.14 -0.71 0.19 -0.69 -1.06 0.00 0.00 176.35 174.22 1hhq s VAL 46 N -3.14 3.80 0.52 1.48 1.01 -1.26 0.15 120.40 122.95 1hhq s VAL 46 Ca 0.09 -1.50 -0.23 0.00 0.00 0.00 0.00 61.98 60.34 1hhq s VAL 46 Cb -0.01 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1hhq s VAL 46 CO -0.04 -0.45 1.35 -0.81 0.00 0.00 0.00 175.10 175.15 1hhq n PRO 47 N 4.79 1.79 -2.32 2.72 -0.04 -1.26 -5.02 135.00 135.66 1hhq n PRO 47 Ca -0.09 0.65 -0.29 0.00 -0.04 0.00 0.00 63.50 63.73 1hhq n PRO 47 Cb 0.43 -2.56 0.01 0.00 -0.04 0.00 0.00 33.50 31.34 1hhq n PRO 47 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1hhq s THR 48 N -1.27 4.65 0.31 0.52 -4.23 -1.26 -4.57 115.64 109.79 1hhq s THR 48 Ca 0.69 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 1hhq s THR 48 Cb -0.43 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 69.88 1hhq s THR 48 CO 0.51 -0.90 1.95 0.50 -0.54 0.00 0.00 174.62 176.15 1hhq h LYS 49 N -0.04 0.98 0.02 3.99 3.64 -1.95 -0.55 116.57 122.66 1hhq h LYS 49 Ca -0.46 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1hhq h LYS 49 Cb 1.21 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1hhq h LYS 49 CO 0.62 0.65 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.87 1hhq h ASP 50 N 1.01 -0.38 -0.51 4.20 3.45 -2.00 0.18 116.42 122.38 1hhq h ASP 50 Ca 0.32 0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.80 1hhq h ASP 50 Cb 0.04 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1hhq h ASP 50 CO -0.10 -0.19 0.18 0.25 -1.57 0.00 0.00 179.24 177.82 1hhq h LEU 51 N -0.24 0.72 -0.89 1.55 5.85 -1.81 -2.86 115.31 117.63 1hhq h LEU 51 Ca 0.04 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1hhq h LEU 51 Cb 0.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1hhq h LEU 51 CO -0.12 0.71 0.55 0.00 -0.34 0.00 0.00 178.44 179.24 1hhq h ALA 52 N 1.04 1.13 -0.49 1.25 0.00 -0.69 -1.47 119.26 120.02 1hhq h ALA 52 Ca 0.17 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1hhq h ALA 52 Cb 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1hhq h ALA 52 CO -0.01 0.57 -0.07 0.93 0.00 0.00 0.00 179.25 180.67 1hhq h GLU 53 N 1.22 0.87 -0.24 0.00 5.08 -0.50 -2.42 114.58 118.58 1hhq h GLU 53 Ca 0.32 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1hhq h GLU 53 Cb -0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1hhq h GLU 53 CO -0.06 0.91 -0.43 0.77 -1.00 0.00 0.00 179.01 179.20 1hhq h SER 54 N 0.79 0.80 -0.91 1.42 0.02 -1.29 -1.44 113.55 112.94 1hhq h SER 54 Ca 0.14 -0.53 0.06 0.00 -0.84 0.00 0.00 61.79 60.62 1hhq h SER 54 Cb 0.57 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 1hhq h SER 54 CO 0.04 1.18 0.58 -0.74 -1.14 0.00 0.00 176.83 176.75 1hhq h HIS 55 N 0.45 1.07 -0.64 3.45 -0.00 -1.18 -2.15 115.15 116.16 1hhq h HIS 55 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1hhq h HIS 55 Cb 1.03 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.10 1hhq h HIS 55 CO 0.08 0.55 0.00 0.66 -0.00 0.00 0.00 177.93 179.22 1hhq n TYR 56 N -4.57 1.26 -0.31 5.26 4.01 -0.92 -4.65 117.16 117.24 1hhq n TYR 56 Ca 0.13 -0.53 0.28 0.00 -0.16 0.00 0.00 57.90 57.62 1hhq n TYR 56 Cb 0.17 -0.16 0.52 0.00 -0.31 0.00 0.00 39.34 39.56 1hhq n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hhq n ALA 57 N 1.21 0.90 0.12 -0.72 0.00 -0.55 -0.40 120.51 121.07 1hhq n ALA 57 Ca 0.24 0.99 0.17 0.00 0.00 0.00 0.00 53.44 54.84 1hhq n ALA 57 Cb 0.77 -0.94 0.73 0.00 0.00 0.00 0.00 19.45 20.01 1hhq n ALA 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1hhq h GLU 58 N 0.00 0.00 -0.52 0.00 4.11 -1.84 -1.23 114.58 115.11 1hhq h GLU 58 Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.21 1hhq h GLU 58 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1hhq h GLU 58 CO -0.77 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.03 1hhq n HIS 59 N -4.15 0.68 0.32 2.06 8.25 0.46 -4.64 115.22 118.20 1hhq n HIS 59 Ca 0.05 -0.44 0.18 0.00 -0.26 0.00 0.00 57.72 57.25 1hhq n HIS 59 Cb 0.44 -0.01 0.97 0.00 1.12 0.00 0.00 29.99 32.51 1hhq n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1hhq h LYS 60 N 3.45 0.00 -0.00 -0.41 2.10 -1.21 0.12 116.57 120.62 1hhq h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1hhq h LYS 60 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1hhq h LYS 60 CO 0.00 0.00 -0.44 0.39 -2.00 0.00 0.00 179.45 177.40 1hhq n GLU 61 N -2.90 0.01 -3.55 0.07 4.71 -1.26 -4.88 120.64 112.84 1hhq n GLU 61 Ca -0.02 -0.01 -0.33 0.00 -0.01 0.00 0.00 57.16 56.79 1hhq n GLU 61 Cb 0.22 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.10 1hhq n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1hhq s ARG 62 N -2.99 3.75 0.47 3.49 1.81 0.42 -5.01 118.95 120.90 1hhq s ARG 62 Ca 0.12 0.16 0.21 0.00 -1.72 0.00 0.00 55.73 54.49 1hhq s ARG 62 Cb 0.18 -2.88 1.18 0.00 -0.45 0.00 0.00 34.95 32.98 1hhq s ARG 62 CO 0.68 0.48 2.00 -1.00 -0.68 0.00 0.00 175.30 176.78 1hhq h PRO 63 N 3.24 0.00 0.00 3.54 0.13 -1.90 -2.23 132.00 134.78 1hhq h PRO 63 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1hhq h PRO 63 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1hhq h PRO 63 CO 0.68 0.18 0.00 1.97 -0.23 0.00 0.00 178.00 180.61 1hhq n PHE 64 N -3.90 0.00 -0.14 1.56 1.16 -1.26 -3.53 117.46 111.35 1hhq n PHE 64 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.51 1hhq n PHE 64 Cb 0.28 -0.27 0.03 0.00 -1.61 0.00 0.00 39.48 37.91 1hhq n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1hhq h PHE 65 N 0.00 0.41 -0.86 2.97 3.04 -1.59 -2.23 116.94 118.68 1hhq h PHE 65 Ca 0.00 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.00 1hhq h PHE 65 Cb 0.24 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.58 1hhq h PHE 65 CO 0.00 0.20 0.57 0.78 -2.02 0.00 0.00 178.31 177.84 1hhq h GLY 66 N 0.44 1.23 1.45 2.40 0.00 -1.78 -1.76 103.07 105.05 1hhq h GLY 66 Ca 0.19 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1hhq h GLY 66 CO -0.14 0.37 -0.10 -1.33 0.00 0.00 0.00 176.54 175.34 1hhq h GLY 67 N 1.07 0.71 0.86 4.60 0.00 -1.63 -1.50 103.07 107.18 1hhq h GLY 67 Ca 0.34 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1hhq h GLY 67 CO -0.10 0.47 -0.21 1.41 0.00 0.00 0.00 176.54 178.11 1hhq h LEU 68 N 0.61 -0.49 -0.92 3.11 3.38 -0.80 -2.04 115.31 118.15 1hhq h LEU 68 Ca 0.11 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1hhq h LEU 68 Cb 0.53 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1hhq h LEU 68 CO 0.03 -0.24 0.58 0.58 0.09 0.00 0.00 178.44 179.48 1hhq h VAL 69 N -0.73 1.05 -0.16 1.22 2.07 -1.29 -1.88 116.25 116.53 1hhq h VAL 69 Ca -0.06 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1hhq h VAL 69 Cb 0.52 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1hhq h VAL 69 CO 0.10 0.19 0.07 -1.28 0.02 0.00 0.00 177.57 176.67 1hhq h SER 70 N 1.05 0.21 -0.18 0.57 0.87 -1.20 -3.00 113.55 111.86 1hhq h SER 70 Ca 0.40 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1hhq h SER 70 Cb 0.18 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1hhq h SER 70 CO -0.18 0.28 -0.07 0.15 -0.53 0.00 0.00 176.83 176.49 1hhq h PHE 71 N 0.12 0.42 -0.15 2.24 3.57 -1.04 -2.76 116.94 119.35 1hhq h PHE 71 Ca 0.05 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1hhq h PHE 71 Cb 0.13 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1hhq h PHE 71 CO -0.02 0.65 0.10 0.97 -2.23 0.00 0.00 178.31 177.78 1hhq h ILE 72 N 0.06 0.95 -0.20 1.41 6.09 -1.41 0.31 117.51 124.73 1hhq h ILE 72 Ca 0.04 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 1hhq h ILE 72 Cb 0.53 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.72 1hhq h ILE 72 CO 0.02 0.01 0.00 0.35 -3.07 0.00 0.00 178.15 175.46 1hhq n THR 73 N -4.50 0.25 0.92 2.19 -2.24 -1.14 -4.14 114.28 105.62 1hhq n THR 73 Ca 0.00 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1hhq n THR 73 Cb 0.19 0.65 0.51 0.00 -2.10 0.00 0.00 70.33 69.58 1hhq n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1hhq n SER 74 N 0.71 0.24 -2.40 3.42 3.41 0.10 -4.82 113.62 114.28 1hhq n SER 74 Ca 0.17 0.38 -0.03 0.00 -0.26 0.00 0.00 58.87 59.13 1hhq n SER 74 Cb 0.43 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1hhq n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hhq n GLY 75 N 1.46 0.96 3.76 5.00 0.00 -1.26 -5.11 105.19 110.01 1hhq n GLY 75 Ca 0.06 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 1hhq n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hhq s PRO 76 N -2.04 3.54 -0.01 1.61 0.04 -1.26 -4.51 135.00 132.37 1hhq s PRO 76 Ca 0.14 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.32 1hhq s PRO 76 Cb -0.02 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1hhq s PRO 76 CO 0.05 -0.83 -0.17 0.08 0.04 0.00 0.00 177.00 176.17 1hhq s VAL 77 N -1.36 1.34 -0.35 -0.36 1.01 0.39 -3.61 120.40 117.46 1hhq s VAL 77 Ca 0.65 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1hhq s VAL 77 Cb -0.37 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1hhq s VAL 77 CO 0.45 0.34 0.17 -0.69 0.00 0.00 0.00 175.10 175.36 1hhq s VAL 78 N -0.45 4.37 -0.12 2.92 1.01 -1.05 -0.18 120.40 126.90 1hhq s VAL 78 Ca 0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1hhq s VAL 78 Cb -0.07 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1hhq s VAL 78 CO -0.00 -0.14 0.28 0.00 0.00 0.00 0.00 175.10 175.23 1hhq s ALA 79 N 1.53 3.68 0.04 5.51 0.00 0.12 -1.49 121.76 131.16 1hhq s ALA 79 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1hhq s ALA 79 Cb -0.19 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1hhq s ALA 79 CO 0.05 0.30 0.03 0.00 0.00 0.00 0.00 175.76 176.14 1hhq s MET 80 N -0.21 0.57 -0.09 0.00 0.23 0.15 -1.45 119.30 118.50 1hhq s MET 80 Ca 0.17 -0.93 0.01 0.00 -1.03 0.00 0.00 55.69 53.91 1hhq s MET 80 Cb -0.13 0.21 0.02 0.00 -1.53 0.00 0.00 34.83 33.40 1hhq s MET 80 CO 0.06 -0.12 -0.09 0.08 -2.03 0.00 0.00 175.02 172.91 1hhq s VAL 81 N -3.03 1.03 0.05 5.16 1.01 -0.52 -1.18 120.40 122.91 1hhq s VAL 81 Ca -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1hhq s VAL 81 Cb 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1hhq s VAL 81 CO -0.07 0.35 -0.18 -0.36 0.00 0.00 0.00 175.10 174.84 1hhq s PHE 82 N 1.21 2.55 0.03 5.22 0.08 -1.05 0.26 117.98 126.28 1hhq s PHE 82 Ca -0.04 -0.26 0.09 0.00 0.12 0.00 0.00 56.93 56.83 1hhq s PHE 82 Cb -0.14 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1hhq s PHE 82 CO -0.03 0.27 -0.25 -2.00 -0.10 0.00 0.00 175.22 173.11 1hhq s GLU 83 N -1.55 1.92 0.00 0.44 2.12 0.64 -1.96 118.70 120.31 1hhq s GLU 83 Ca 0.15 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1hhq s GLU 83 Cb -0.10 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1hhq s GLU 83 CO 0.06 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1hhq n GLY 84 N 1.93 1.84 3.69 -1.50 0.00 0.25 -1.50 105.19 109.89 1hhq n GLY 84 Ca -0.17 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1hhq n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hhq s LYS 85 N -2.00 4.24 -1.63 1.61 2.36 -1.24 -2.91 119.74 120.18 1hhq s LYS 85 Ca 0.00 2.13 0.00 0.00 -2.55 0.00 0.00 55.97 55.55 1hhq s LYS 85 Cb 0.00 -3.60 0.00 0.00 -1.05 0.00 0.00 37.83 33.18 1hhq s LYS 85 CO 0.00 -0.66 0.00 0.41 1.55 0.00 0.00 175.35 176.65 1hhq n GLY 86 N 3.81 -0.17 0.30 5.54 0.00 -1.26 -4.88 105.19 108.53 1hhq n GLY 86 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1hhq n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hhq h VAL 87 N 0.00 1.16 0.32 1.61 3.04 -1.84 -0.74 116.25 119.80 1hhq h VAL 87 Ca -0.43 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 64.80 1hhq h VAL 87 Cb 1.31 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1hhq h VAL 87 CO 0.52 0.18 -0.15 0.58 -1.01 0.00 0.00 177.57 177.69 1hhq h VAL 88 N 0.64 0.69 -0.32 1.51 2.07 -1.87 0.31 116.25 119.27 1hhq h VAL 88 Ca 0.16 -0.04 -0.16 0.00 0.82 0.00 0.00 66.70 67.48 1hhq h VAL 88 Cb 0.07 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1hhq h VAL 88 CO -0.02 0.01 -0.43 0.00 0.02 0.00 0.00 177.57 177.15 1hhq h ALA 89 N 0.22 0.63 -0.26 1.67 0.00 -1.87 -3.02 119.26 116.64 1hhq h ALA 89 Ca -0.04 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1hhq h ALA 89 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1hhq h ALA 89 CO 0.07 0.67 0.15 1.03 0.00 0.00 0.00 179.25 181.17 1hhq h SER 90 N 0.66 0.32 -0.69 0.00 0.87 -1.00 -2.17 113.55 111.53 1hhq h SER 90 Ca 0.04 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1hhq h SER 90 Cb 1.01 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 1hhq h SER 90 CO 0.10 0.30 0.46 0.00 -0.53 0.00 0.00 176.83 177.15 1hhq h ALA 91 N 1.03 1.53 -0.49 6.23 0.00 -0.37 -1.59 119.26 125.60 1hhq h ALA 91 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1hhq h ALA 91 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hhq h ALA 91 CO -0.02 0.43 -0.20 0.00 0.00 0.00 0.00 179.25 179.46 1hhq h ARG 92 N 0.91 1.00 -0.75 0.00 2.47 -1.37 -1.71 114.38 114.93 1hhq h ARG 92 Ca 0.26 -0.42 -0.05 0.00 -1.26 0.00 0.00 59.98 58.51 1hhq h ARG 92 Cb -0.07 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 1hhq h ARG 92 CO -0.06 1.10 0.29 1.25 0.56 0.00 0.00 179.97 183.11 1hhq h LEU 93 N 0.86 1.05 -1.18 3.04 5.85 -0.81 -1.53 115.31 122.59 1hhq h LEU 93 Ca 0.11 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1hhq h LEU 93 Cb 0.78 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1hhq h LEU 93 CO 0.07 0.94 -0.37 0.24 -0.34 0.00 0.00 178.44 178.98 1hhq h MET 94 N 1.09 0.00 -0.02 1.25 2.86 -1.12 -3.09 114.93 115.89 1hhq h MET 94 Ca 0.25 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.71 1hhq h MET 94 Cb 0.23 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.90 1hhq h MET 94 CO -0.02 0.37 -0.68 0.82 1.06 0.00 0.00 176.91 178.46 1hhq h ILE 95 N 0.00 1.38 0.00 -1.22 2.04 -0.85 0.49 117.51 119.35 1hhq h ILE 95 Ca -0.00 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1hhq h ILE 95 Cb 0.75 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1hhq h ILE 95 CO 0.05 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.42 1hhq n GLY 96 N 1.00 0.21 3.73 5.37 0.00 -0.62 -1.56 105.19 113.32 1hhq n GLY 96 Ca -0.10 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 1hhq n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hhq s VAL 97 N 0.00 1.89 0.23 1.61 -7.23 -1.26 -4.70 120.40 110.94 1hhq s VAL 97 Ca 0.00 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 1hhq s VAL 97 Cb 0.00 -2.71 0.25 0.00 0.56 0.00 0.00 36.38 34.47 1hhq s VAL 97 CO 0.00 0.00 1.65 0.74 -0.31 0.00 0.00 175.10 177.18 1hhq h THR 98 N 1.42 0.41 -3.60 5.32 2.02 -1.98 -3.35 112.91 113.15 1hhq h THR 98 Ca -0.43 -0.04 -0.63 0.00 0.77 0.00 0.00 66.41 66.08 1hhq h THR 98 Cb 1.27 0.27 -0.13 0.00 -1.74 0.00 0.00 68.15 67.82 1hhq h THR 98 CO 0.72 0.02 0.29 0.21 0.37 0.00 0.00 175.52 177.14 1hhq s ASN 99 N -5.21 6.42 0.44 4.18 3.04 -1.26 -4.67 114.94 117.88 1hhq s ASN 99 Ca -0.13 -0.05 0.14 0.00 0.04 0.00 0.00 52.86 52.86 1hhq s ASN 99 Cb 0.21 -2.37 1.04 0.00 -1.54 0.00 0.00 41.25 38.60 1hhq s ASN 99 CO 0.75 -0.83 1.99 -0.65 -3.04 0.00 0.00 177.10 175.32 1hhq h PRO 100 N 8.83 0.37 0.00 0.43 0.11 -1.85 -1.04 132.00 138.85 1hhq h PRO 100 Ca -0.25 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1hhq h PRO 100 Cb 1.09 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1hhq h PRO 100 CO 0.93 0.25 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.64 1hhq h LEU 101 N 0.38 0.00 -1.58 2.35 3.38 -1.79 -2.50 115.31 115.55 1hhq h LEU 101 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1hhq h LEU 101 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1hhq h LEU 101 CO -0.07 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1hhq n ALA 102 N -2.35 2.50 -1.78 1.53 0.00 -0.42 -4.93 120.51 115.06 1hhq n ALA 102 Ca -0.01 -0.62 -0.37 0.00 0.00 0.00 0.00 53.44 52.44 1hhq n ALA 102 Cb 0.35 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1hhq n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hhq s SER 103 N -1.95 7.32 0.37 0.00 0.01 -0.94 -4.88 113.70 113.63 1hhq s SER 103 Ca 0.32 1.87 -0.26 0.00 1.31 0.00 0.00 55.95 59.20 1hhq s SER 103 Cb 0.20 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1hhq s SER 103 CO 0.31 -0.08 1.13 0.00 0.41 0.00 0.00 173.24 175.01 1hhq s ALA 104 N -1.57 3.20 0.31 1.44 0.00 -1.26 -4.48 121.76 119.40 1hhq s ALA 104 Ca 0.50 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 1hhq s ALA 104 Cb -0.20 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.46 1hhq s ALA 104 CO 0.25 -0.39 1.57 -2.30 0.00 0.00 0.00 175.76 174.90 1hhq n PRO 105 N 0.29 2.70 0.00 0.00 -0.02 -1.26 -1.78 135.00 134.93 1hhq n PRO 105 Ca 0.03 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1hhq n PRO 105 Cb 0.47 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1hhq n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hhq n GLY 106 N 1.79 1.73 3.90 -1.23 0.00 -1.26 -4.98 105.19 105.14 1hhq n GLY 106 Ca 0.07 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1hhq n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hhq s SER 107 N -0.41 6.12 0.09 1.61 1.04 -0.73 -4.90 113.70 116.52 1hhq s SER 107 Ca 0.00 1.03 -0.30 0.00 0.48 0.00 0.00 55.95 57.16 1hhq s SER 107 Cb 0.00 -2.21 -0.14 0.00 0.10 0.00 0.00 66.02 63.77 1hhq s SER 107 CO 0.00 -0.75 1.64 0.40 0.98 0.00 0.00 173.24 175.50 1hhq h ILE 108 N -0.01 0.41 -0.08 -1.02 2.04 -0.87 -0.33 117.51 117.65 1hhq h ILE 108 Ca -0.46 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 1hhq h ILE 108 Cb 1.21 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1hhq h ILE 108 CO 0.62 0.00 -0.38 0.03 0.00 0.00 0.00 178.15 178.42 1hhq h ARG 109 N -0.66 0.16 -0.42 2.37 3.08 -1.55 -0.51 114.38 116.85 1hhq h ARG 109 Ca -0.03 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1hhq h ARG 109 Cb 0.57 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1hhq h ARG 109 CO 0.00 0.53 -0.03 0.78 -1.07 0.00 0.00 179.97 180.18 1hhq h GLY 110 N 1.18 0.75 1.39 0.04 0.00 -1.66 0.13 103.07 104.88 1hhq h GLY 110 Ca 0.01 -0.49 -0.28 0.00 0.00 0.00 0.00 47.33 46.57 1hhq h GLY 110 CO 0.06 0.46 -1.42 -0.55 0.00 0.00 0.00 176.54 175.08 1hhq h ASP 111 N 0.65 0.25 0.00 0.19 3.32 -0.72 -3.43 116.42 116.69 1hhq h ASP 111 Ca 0.13 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1hhq h ASP 111 Cb 0.44 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1hhq h ASP 111 CO 0.02 1.28 0.00 0.49 -1.72 0.00 0.00 179.24 179.31 1hhq n PHE 112 N -3.38 0.00 -4.27 4.55 3.01 -0.23 -5.07 117.46 112.07 1hhq n PHE 112 Ca -0.12 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.09 1hhq n PHE 112 Cb 1.02 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.42 1hhq n PHE 112 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1hhq s GLY 113 N -0.72 1.67 0.00 1.37 0.00 0.43 -5.01 107.32 105.06 1hhq s GLY 113 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1hhq s GLY 113 CO 0.00 -1.59 0.00 -0.62 0.00 0.00 0.00 173.10 170.89 1hhq n VAL 114 N -0.56 0.00 -4.66 1.40 0.31 -1.26 -4.27 118.33 109.28 1hhq n VAL 114 Ca -0.08 -0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 63.99 1hhq n VAL 114 Cb 0.57 0.39 -0.15 0.00 -0.91 0.00 0.00 33.84 33.74 1hhq n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hhq s ASP 115 N -0.23 1.74 0.23 4.52 -1.08 -1.26 -4.52 116.67 116.07 1hhq s ASP 115 Ca 0.00 -0.27 -0.07 0.00 -0.52 0.00 0.00 52.55 51.69 1hhq s ASP 115 Cb 0.00 -0.35 0.27 0.00 -1.46 0.00 0.00 42.92 41.38 1hhq s ASP 115 CO 0.00 0.14 1.86 0.58 0.52 0.00 0.00 175.17 178.28 1hhq h VAL 116 N 5.08 1.09 0.00 1.11 2.07 -1.97 -1.37 116.25 122.26 1hhq h VAL 116 Ca -0.34 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1hhq h VAL 116 Cb 1.17 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1hhq h VAL 116 CO 0.48 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.87 1hhq n GLY 117 N -1.32 -0.94 2.19 2.17 0.00 -1.26 -3.47 105.19 102.56 1hhq n GLY 117 Ca 0.11 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1hhq n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hhq n ARG 118 N -1.41 0.76 -1.29 1.61 5.12 -0.53 -4.99 116.66 115.93 1hhq n ARG 118 Ca 0.05 -3.26 -0.29 0.00 -1.93 0.00 0.00 57.85 52.42 1hhq n ARG 118 Cb 0.16 -1.27 0.12 0.00 -1.16 0.00 0.00 32.46 30.31 1hhq n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1hhq n ASN 119 N 1.29 5.81 0.00 0.55 0.23 -1.14 -4.30 115.26 117.71 1hhq n ASN 119 Ca 0.22 -3.72 0.00 0.00 -0.53 0.00 0.00 54.58 50.55 1hhq n ASN 119 Cb 0.54 -0.89 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 1hhq n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1hhq n ILE 120 N -1.01 0.00 -3.95 1.53 5.41 -1.26 -4.77 119.36 115.30 1hhq n ILE 120 Ca 0.60 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 64.26 1hhq n ILE 120 Cb 1.10 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.93 1hhq n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1hhq s ILE 121 N 0.00 0.13 0.03 1.39 2.07 -1.26 -0.66 121.20 122.90 1hhq s ILE 121 Ca 0.00 -1.10 0.07 0.00 -1.41 0.00 0.00 60.65 58.21 1hhq s ILE 121 Cb 0.00 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 1hhq s ILE 121 CO 0.00 -0.61 -0.21 -2.28 -1.91 0.00 0.00 174.94 169.93 1hhq s HIS 122 N -2.39 1.86 0.00 3.50 5.65 -0.13 -4.95 115.29 118.83 1hhq s HIS 122 Ca -0.07 -0.37 0.02 0.00 0.25 0.00 0.00 55.06 54.89 1hhq s HIS 122 Cb -0.03 -1.13 -0.01 0.00 -1.18 0.00 0.00 32.58 30.24 1hhq s HIS 122 CO -0.04 0.06 -0.06 0.20 -0.65 0.00 0.00 174.74 174.25 1hhq s GLY 123 N -0.99 0.30 0.31 1.59 0.00 -1.26 -1.14 107.32 106.13 1hhq s GLY 123 Ca 0.08 -0.30 -0.28 0.00 0.00 0.00 0.00 44.72 44.21 1hhq s GLY 123 CO 0.01 -0.27 1.15 1.44 0.00 0.00 0.00 173.10 175.43 1hhq n SER 124 N 2.76 2.02 -0.57 1.64 7.64 -0.69 -4.88 113.62 121.53 1hhq n SER 124 Ca -0.14 1.19 0.13 0.00 1.01 0.00 0.00 58.87 61.07 1hhq n SER 124 Cb 0.58 -1.38 0.39 0.00 -1.01 0.00 0.00 64.21 62.78 1hhq n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1hhq n ASP 125 N 1.02 1.83 -3.68 6.43 3.85 -1.26 -4.85 116.55 119.90 1hhq n ASP 125 Ca 0.07 -1.56 -0.08 0.00 -0.71 0.00 0.00 54.79 52.51 1hhq n ASP 125 Cb 0.34 0.03 -0.02 0.00 -1.35 0.00 0.00 41.12 40.12 1hhq n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1hhq s SER 126 N -2.06 -0.34 0.14 -1.12 1.04 -1.26 -4.96 113.70 105.13 1hhq s SER 126 Ca 0.34 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1hhq s SER 126 Cb 0.20 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1hhq s SER 126 CO 0.35 -1.07 1.68 0.58 0.98 0.00 0.00 173.24 175.76 1hhq h VAL 127 N 2.00 1.21 -0.40 5.02 2.07 -1.92 0.41 116.25 124.63 1hhq h VAL 127 Ca -0.24 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1hhq h VAL 127 Cb 1.26 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1hhq h VAL 127 CO 0.28 0.23 0.23 -0.33 0.02 0.00 0.00 177.57 178.01 1hhq h GLU 128 N 0.54 0.55 -0.74 1.57 3.07 -1.97 0.24 114.58 117.83 1hhq h GLU 128 Ca 0.14 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 1hhq h GLU 128 Cb 0.21 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1hhq h GLU 128 CO -0.01 0.44 0.23 0.77 -1.40 0.00 0.00 179.01 179.04 1hhq h SER 129 N 0.52 1.07 -0.30 1.42 0.02 -1.89 -1.83 113.55 112.55 1hhq h SER 129 Ca 0.14 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1hhq h SER 129 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1hhq h SER 129 CO -0.02 0.99 0.13 0.00 -1.14 0.00 0.00 176.83 176.79 1hhq h ALA 130 N 1.15 0.39 -0.62 3.77 0.00 0.39 -0.41 119.26 123.92 1hhq h ALA 130 Ca 0.24 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1hhq h ALA 130 Cb 0.30 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1hhq h ALA 130 CO -0.01 -0.03 0.35 -0.91 0.00 0.00 0.00 179.25 178.65 1hhq h ASN 131 N 0.35 0.52 -0.04 0.00 2.35 -0.30 -1.23 115.58 117.22 1hhq h ASN 131 Ca 0.10 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1hhq h ASN 131 Cb 0.15 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1hhq h ASN 131 CO -0.01 0.34 0.00 -0.09 -1.65 0.00 0.00 177.43 176.03 1hhq h ARG 132 N 0.65 0.07 -0.81 0.81 2.43 -1.06 -3.07 114.38 113.40 1hhq h ARG 132 Ca 0.27 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1hhq h ARG 132 Cb 0.15 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1hhq h ARG 132 CO -0.17 0.33 0.38 0.93 -1.51 0.00 0.00 179.97 179.93 1hhq h GLU 133 N -0.20 1.16 -0.34 0.20 5.08 -0.84 -2.14 114.58 117.50 1hhq h GLU 133 Ca 0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1hhq h GLU 133 Cb 0.29 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1hhq h GLU 133 CO 0.00 0.90 0.21 0.82 -1.00 0.00 0.00 179.01 179.94 1hhq h ILE 134 N 1.15 1.10 0.00 3.13 2.04 -1.26 -0.29 117.51 123.38 1hhq h ILE 134 Ca 0.28 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1hhq h ILE 134 Cb 0.13 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1hhq h ILE 134 CO -0.03 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1hhq h ALA 135 N 1.10 1.00 0.05 1.87 0.00 -1.43 0.12 119.26 121.97 1hhq h ALA 135 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1hhq h ALA 135 Cb -0.02 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1hhq h ALA 135 CO -0.02 0.00 -0.30 1.25 0.00 0.00 0.00 179.25 180.17 1hhq h LEU 136 N 0.00 0.17 0.00 0.00 6.46 -0.56 -3.39 115.31 117.98 1hhq h LEU 136 Ca 0.00 -0.98 -0.19 0.00 -0.12 0.00 0.00 57.88 56.59 1hhq h LEU 136 Cb 0.45 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1hhq h LEU 136 CO 0.00 1.14 -1.38 -0.50 -0.62 0.00 0.00 178.44 177.09 1hhq h TRP 137 N -0.78 0.00 -3.75 1.25 4.06 -0.94 -3.48 115.95 112.31 1hhq h TRP 137 Ca -0.05 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.25 1hhq h TRP 137 Cb 1.23 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 29.18 1hhq h TRP 137 CO 0.25 0.66 -0.85 -0.06 -3.56 0.00 0.00 178.44 174.89 1hhq s PHE 138 N -2.86 2.18 0.12 0.49 0.08 0.40 -5.10 117.98 113.28 1hhq s PHE 138 Ca -0.02 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.56 1hhq s PHE 138 Cb 0.08 -1.16 -0.06 0.00 -0.57 0.00 0.00 43.02 41.32 1hhq s PHE 138 CO 0.81 0.34 0.41 0.15 -0.10 0.00 0.00 175.22 176.83 1hhq s LYS 139 N -2.18 3.72 0.34 0.44 1.02 -1.26 -4.43 119.74 117.38 1hhq s LYS 139 Ca 0.14 0.10 0.10 0.00 0.02 0.00 0.00 55.97 56.33 1hhq s LYS 139 Cb -0.09 -2.91 0.88 0.00 -0.52 0.00 0.00 37.83 35.19 1hhq s LYS 139 CO 0.06 0.50 1.77 -1.35 -0.92 0.00 0.00 175.35 175.42 1hhq h PRO 140 N 3.29 0.60 0.00 -1.68 0.11 -1.95 0.72 132.00 133.08 1hhq h PRO 140 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1hhq h PRO 140 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1hhq h PRO 140 CO 0.69 0.39 0.00 0.39 -0.21 0.00 0.00 178.00 179.26 1hhq n GLU 141 N -4.74 0.14 0.00 1.05 4.71 -1.26 -1.81 120.64 118.73 1hhq n GLU 141 Ca 0.24 0.48 0.13 0.00 -0.01 0.00 0.00 57.16 58.00 1hhq n GLU 141 Cb 0.68 -1.83 0.40 0.00 -1.01 0.00 0.00 31.44 29.68 1hhq n GLU 141 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1hhq n GLU 142 N -2.11 0.90 -4.16 3.49 1.02 0.24 -4.89 120.64 115.13 1hhq n GLU 142 Ca 0.01 -0.52 -0.34 0.00 -0.02 0.00 0.00 57.16 56.29 1hhq n GLU 142 Cb 0.14 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.99 1hhq n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hhq s LEU 143 N -2.46 3.85 0.24 -4.62 1.43 -0.75 -4.62 118.68 111.75 1hhq s LEU 143 Ca 0.26 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 1hhq s LEU 143 Cb 0.19 -2.10 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 1hhq s LEU 143 CO 0.50 0.32 1.42 -0.76 0.23 0.00 0.00 176.35 178.06 1hhq s LEU 144 N -1.40 4.39 -0.12 1.79 1.43 0.03 -4.94 118.68 119.85 1hhq s LEU 144 Ca 0.19 2.63 -0.06 0.00 -1.03 0.00 0.00 54.13 55.86 1hhq s LEU 144 Cb -0.12 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1hhq s LEU 144 CO 0.09 -0.67 -0.12 0.71 0.23 0.00 0.00 176.35 176.59 1hhq h THR 145 N 3.56 0.00 -3.57 5.49 1.35 -1.93 -3.45 112.91 114.36 1hhq h THR 145 Ca -0.46 -0.96 -0.61 0.00 -0.55 0.00 0.00 66.41 63.83 1hhq h THR 145 Cb 1.22 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.51 1hhq h THR 145 CO 0.77 0.00 -0.11 -1.83 -0.25 0.00 0.00 175.52 174.11 1hhq s GLU 146 N -1.99 4.10 -0.01 4.72 -1.05 -1.26 -5.06 118.70 118.15 1hhq s GLU 146 Ca -0.10 0.25 0.08 0.00 -0.15 0.00 0.00 54.97 55.05 1hhq s GLU 146 Cb 0.01 -3.61 -0.02 0.00 -0.44 0.00 0.00 34.13 30.07 1hhq s GLU 146 CO 0.15 -0.23 -0.24 0.08 0.95 0.00 0.00 175.26 175.96 1hhq s VAL 147 N 1.92 2.23 -0.26 1.83 1.01 -1.26 -5.11 120.40 120.76 1hhq s VAL 147 Ca 0.20 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1hhq s VAL 147 Cb -0.15 -1.81 0.09 0.00 0.00 0.00 0.00 36.38 34.51 1hhq s VAL 147 CO 0.09 0.54 0.14 -0.54 0.00 0.00 0.00 175.10 175.33 1hhq s LYS 148 N -0.75 0.17 1.13 2.72 -0.14 -1.26 -5.15 119.74 116.46 1hhq s LYS 148 Ca 0.11 -0.35 -0.16 0.00 -1.36 0.00 0.00 55.97 54.21 1hhq s LYS 148 Cb -0.10 -1.27 0.25 0.00 -1.68 0.00 0.00 37.83 35.03 1hhq s LYS 148 CO -0.00 -0.92 1.09 -1.25 -0.76 0.00 0.00 175.35 173.51 1hhq s PRO 149 N 2.15 -0.63 0.34 -1.68 0.04 -1.26 -4.92 135.00 129.04 1hhq s PRO 149 Ca 0.07 0.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.07 1hhq s PRO 149 Cb -0.16 -1.64 -0.12 0.00 0.04 0.00 0.00 34.50 32.63 1hhq s PRO 149 CO -0.29 -3.38 1.44 -1.71 0.04 0.00 0.00 177.00 173.10 1hhq n ASN 150 N -4.58 3.41 0.03 6.66 2.85 -1.26 -4.84 115.26 117.53 1hhq n ASN 150 Ca 0.09 1.20 0.05 0.00 -0.11 0.00 0.00 54.58 55.81 1hhq n ASN 150 Cb 0.58 -1.56 0.25 0.00 1.24 0.00 0.00 39.78 40.29 1hhq n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1hhq n PRO 151 N 0.86 0.04 -0.34 1.20 -0.04 -1.26 -2.29 135.00 133.17 1hhq n PRO 151 Ca 0.04 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1hhq n PRO 151 Cb 0.37 -1.59 0.30 0.00 -0.04 0.00 0.00 33.50 32.54 1hhq n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1hhq n ASN 152 N -1.67 3.87 0.04 3.54 3.02 -1.26 -4.49 115.26 118.31 1hhq n ASN 152 Ca 0.01 -2.00 -0.21 0.00 -0.03 0.00 0.00 54.58 52.35 1hhq n ASN 152 Cb 0.10 -0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 38.68 1hhq n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1hhq h LEU 153 N 4.39 0.49 -8.66 3.41 3.38 -1.83 -3.47 115.31 113.02 1hhq h LEU 153 Ca 0.00 -0.89 -0.70 0.00 0.09 0.00 0.00 57.88 56.38 1hhq h LEU 153 Cb 1.00 -0.16 -0.29 0.00 0.09 0.00 0.00 40.66 41.30 1hhq h LEU 153 CO 0.00 1.78 -0.87 -0.31 0.09 0.00 0.00 178.44 179.13 1hhq s TYR 154 N -2.57 2.39 -2.12 1.13 2.02 -1.26 -5.13 117.35 111.81 1hhq s TYR 154 Ca -0.18 -0.40 0.31 0.00 -0.37 0.00 0.00 57.07 56.43 1hhq s TYR 154 Cb 0.06 -1.52 1.71 0.00 -0.40 0.00 0.00 41.96 41.81 1hhq s TYR 154 CO 0.81 -0.00 2.12 -0.85 -1.57 0.00 0.00 175.55 176.06