#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ehw n GLY 2 N 0.00 1.51 0.77 3.03 0.00 -1.26 -3.46 105.19 105.78 1ehw n GLY 2 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1ehw n GLY 2 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ehw n THR 3 N 0.00 0.70 0.05 2.61 -2.24 -1.26 -2.79 114.28 111.35 1ehw n THR 3 Ca 0.00 -0.42 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 1ehw n THR 3 Cb 0.00 -0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.07 1ehw n THR 3 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ehw n ARG 4 N 0.22 1.10 -1.75 -0.78 5.12 -1.22 -4.33 116.66 115.03 1ehw n ARG 4 Ca 0.09 -1.16 -0.40 0.00 -1.93 0.00 0.00 57.85 54.45 1ehw n ARG 4 Cb 0.43 -1.08 0.02 0.00 -1.16 0.00 0.00 32.46 30.67 1ehw n ARG 4 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1ehw n GLU 5 N 0.02 2.16 -4.23 5.56 2.13 -1.12 -4.38 120.64 120.79 1ehw n GLU 5 Ca 0.03 0.77 -0.14 0.00 0.66 0.00 0.00 57.16 58.48 1ehw n GLU 5 Cb 0.19 -2.57 -0.10 0.00 0.27 0.00 0.00 31.44 29.22 1ehw n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ehw s ARG 6 N -2.41 0.99 0.09 5.31 0.52 -1.26 -1.51 118.95 120.68 1ehw s ARG 6 Ca 0.61 -1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 54.28 1ehw s ARG 6 Cb -0.46 -0.54 0.03 0.00 0.52 0.00 0.00 34.95 34.50 1ehw s ARG 6 CO 0.57 0.06 0.36 -0.08 0.02 0.00 0.00 175.30 176.24 1ehw s THR 7 N -3.27 0.08 -0.17 0.02 -1.32 -0.91 -4.69 115.64 105.38 1ehw s THR 7 Ca 0.14 -0.63 -0.07 0.00 -1.21 0.00 0.00 61.69 59.92 1ehw s THR 7 Cb 0.02 -1.09 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 1ehw s THR 7 CO -0.00 -0.35 0.07 -0.22 -2.21 0.00 0.00 174.62 171.90 1ehw s LEU 8 N -2.48 3.87 -0.03 9.08 2.96 -1.26 -2.40 118.68 128.42 1ehw s LEU 8 Ca -0.00 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1ehw s LEU 8 Cb 0.01 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1ehw s LEU 8 CO -0.08 0.22 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.32 1ehw s VAL 9 N 0.08 1.32 -0.02 1.68 1.01 -0.62 -1.86 120.40 121.99 1ehw s VAL 9 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ehw s VAL 9 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1ehw s VAL 9 CO 0.01 0.38 0.01 0.00 0.00 0.00 0.00 175.10 175.50 1ehw s ALA 10 N -0.14 0.11 -0.18 5.51 0.00 0.04 -0.18 121.76 126.93 1ehw s ALA 10 Ca 0.01 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 1ehw s ALA 10 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1ehw s ALA 10 CO 0.01 -0.06 0.70 0.08 0.00 0.00 0.00 175.76 176.49 1ehw s VAL 11 N 0.72 4.98 0.85 0.00 1.01 0.26 -0.72 120.40 127.50 1ehw s VAL 11 Ca -0.06 1.35 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 1ehw s VAL 11 Cb -0.09 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.38 1ehw s VAL 11 CO -0.02 0.10 1.09 -0.54 0.00 0.00 0.00 175.10 175.73 1ehw s LYS 12 N 1.87 1.61 0.46 2.72 1.02 0.44 -2.45 119.74 125.42 1ehw s LYS 12 Ca 0.33 0.85 0.26 0.00 0.02 0.00 0.00 55.97 57.42 1ehw s LYS 12 Cb -0.16 -1.85 1.29 0.00 -0.52 0.00 0.00 37.83 36.59 1ehw s LYS 12 CO 0.12 -2.00 1.79 -1.35 -0.92 0.00 0.00 175.35 172.98 1ehw h PRO 13 N -1.38 0.22 -0.14 -1.68 0.11 -1.84 -1.01 132.00 126.28 1ehw h PRO 13 Ca -0.48 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1ehw h PRO 13 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1ehw h PRO 13 CO 0.55 0.14 -0.62 0.38 -0.21 0.00 0.00 178.00 178.24 1ehw h ASP 14 N 0.22 0.55 -0.48 -2.05 2.03 -1.89 -1.84 116.42 112.97 1ehw h ASP 14 Ca 0.58 -0.32 -0.06 0.00 -0.73 0.00 0.00 57.03 56.50 1ehw h ASP 14 Cb 1.81 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 40.12 1ehw h ASP 14 CO -0.18 1.04 0.09 1.23 -1.03 0.00 0.00 179.24 180.38 1ehw h GLY 15 N 1.15 0.91 0.53 7.15 0.00 -1.37 -0.71 103.07 110.73 1ehw h GLY 15 Ca -0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1ehw h GLY 15 CO 0.11 0.52 -0.12 -2.08 0.00 0.00 0.00 176.54 174.97 1ehw h VAL 16 N 0.81 1.45 0.00 4.60 2.07 -1.45 -0.35 116.25 123.37 1ehw h VAL 16 Ca 0.17 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 1ehw h VAL 16 Cb 0.36 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1ehw h VAL 16 CO 0.01 0.42 -0.22 1.56 0.02 0.00 0.00 177.57 179.36 1ehw h GLN 17 N -0.38 0.00 -0.12 1.57 4.20 -1.24 -0.67 115.11 118.46 1ehw h GLN 17 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ehw h GLN 17 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1ehw h GLN 17 CO 0.03 0.22 0.00 0.54 -0.67 0.00 0.00 178.83 178.94 1ehw n ARG 18 N -4.08 1.62 -3.42 1.46 1.74 -0.28 -4.95 116.66 108.74 1ehw n ARG 18 Ca -0.02 -0.92 -0.17 0.00 -0.77 0.00 0.00 57.85 55.97 1ehw n ARG 18 Cb 0.29 -1.40 0.09 0.00 -1.02 0.00 0.00 32.46 30.41 1ehw n ARG 18 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ehw n ARG 19 N 0.14 -6.23 -0.19 5.56 1.74 -0.26 -4.94 116.66 112.47 1ehw n ARG 19 Ca 0.17 0.84 0.06 0.00 -0.77 0.00 0.00 57.85 58.15 1ehw n ARG 19 Cb 0.30 -5.85 0.17 0.00 -1.02 0.00 0.00 32.46 26.06 1ehw n ARG 19 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ehw n LEU 20 N -4.06 3.00 -0.05 0.55 4.77 -0.17 -4.71 117.00 116.33 1ehw n LEU 20 Ca -0.27 -2.00 -0.10 0.00 -0.03 0.00 0.00 56.01 53.61 1ehw n LEU 20 Cb 0.67 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1ehw n LEU 20 CO 0.61 0.75 0.93 0.58 -1.33 0.00 0.00 177.39 178.93 1ehw h VAL 21 N 2.20 1.09 -0.81 4.08 2.07 -1.90 -0.85 116.25 122.12 1ehw h VAL 21 Ca 0.00 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1ehw h VAL 21 Cb 0.75 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1ehw h VAL 21 CO 0.00 0.08 0.48 1.23 0.02 0.00 0.00 177.57 179.38 1ehw h GLY 22 N 0.25 1.19 1.00 2.17 0.00 -1.97 -0.48 103.07 105.23 1ehw h GLY 22 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ehw h GLY 22 CO -0.01 0.49 0.23 -0.55 0.00 0.00 0.00 176.54 176.70 1ehw h ASP 23 N 1.12 0.41 0.42 0.19 5.19 -1.81 -0.11 116.42 121.84 1ehw h ASP 23 Ca 0.29 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 1ehw h ASP 23 Cb -0.02 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1ehw h ASP 23 CO -0.05 0.31 -0.20 0.58 -3.12 0.00 0.00 179.24 176.76 1ehw h VAL 24 N 0.48 0.57 -0.94 -1.35 2.07 -0.90 -2.92 116.25 113.26 1ehw h VAL 24 Ca 0.13 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1ehw h VAL 24 Cb -0.04 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1ehw h VAL 24 CO -0.03 0.05 0.61 0.40 0.02 0.00 0.00 177.57 178.62 1ehw h ILE 25 N -0.73 1.07 -0.77 4.57 2.04 -1.00 -1.58 117.51 121.12 1ehw h ILE 25 Ca -0.06 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1ehw h ILE 25 Cb 0.52 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1ehw h ILE 25 CO 0.10 0.20 0.50 -0.61 0.00 0.00 0.00 178.15 178.33 1ehw h GLN 26 N 1.07 0.90 -0.41 2.37 4.15 -0.96 -0.91 115.11 121.32 1ehw h GLN 26 Ca 0.41 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.69 1ehw h GLN 26 Cb 0.20 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1ehw h GLN 26 CO -0.16 0.60 -0.10 0.00 -1.93 0.00 0.00 178.83 177.24 1ehw h ARG 27 N 0.93 0.72 -0.14 1.69 3.08 -1.09 -1.47 114.38 118.11 1ehw h ARG 27 Ca 0.31 -0.23 -0.22 0.00 0.07 0.00 0.00 59.98 59.91 1ehw h ARG 27 Cb 0.06 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ehw h ARG 27 CO -0.09 0.80 -0.79 0.74 -1.07 0.00 0.00 179.97 179.56 1ehw h PHE 28 N 0.66 1.02 -0.62 3.04 0.04 -1.36 -3.05 116.94 116.68 1ehw h PHE 28 Ca 0.12 -0.46 -0.00 0.00 2.80 0.00 0.00 57.97 60.42 1ehw h PHE 28 Cb 0.55 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 1ehw h PHE 28 CO 0.03 1.28 0.37 0.93 -0.60 0.00 0.00 178.31 180.32 1ehw h GLU 29 N 0.51 0.84 0.00 1.51 5.08 -0.93 -2.65 114.58 118.94 1ehw h GLU 29 Ca -0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1ehw h GLU 29 Cb 1.42 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ehw h GLU 29 CO 0.16 0.61 0.00 0.07 -1.00 0.00 0.00 179.01 178.85 1ehw h ARG 30 N 0.84 0.00 0.00 2.33 0.11 -1.33 -1.86 114.38 114.47 1ehw h ARG 30 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 1ehw h ARG 30 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1ehw h ARG 30 CO -0.04 0.00 0.00 -0.09 0.10 0.00 0.00 179.97 179.94 1ehw h ARG 31 N 0.00 0.00 0.00 0.08 9.65 -1.36 -3.47 114.38 119.28 1ehw h ARG 31 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ehw h ARG 31 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1ehw h ARG 31 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.18 1ehw n GLY 32 N 1.05 0.80 3.82 2.80 0.00 -0.70 -5.09 105.19 107.87 1ehw n GLY 32 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1ehw n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ehw s PHE 33 N -2.01 3.18 -0.20 1.61 0.08 -1.15 -5.01 117.98 114.48 1ehw s PHE 33 Ca 0.00 1.43 -0.07 0.00 0.12 0.00 0.00 56.93 58.42 1ehw s PHE 33 Cb 0.00 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.53 1ehw s PHE 33 CO 0.00 -1.03 0.05 0.99 -0.10 0.00 0.00 175.22 175.13 1ehw s THR 34 N -2.85 4.48 -0.56 0.64 2.01 -0.30 -4.70 115.64 114.37 1ehw s THR 34 Ca 0.59 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 1ehw s THR 34 Cb -0.14 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.36 1ehw s THR 34 CO 0.47 0.42 1.14 -0.22 -0.69 0.00 0.00 174.62 175.74 1ehw s LEU 35 N 0.83 3.58 0.00 4.42 2.96 -1.26 -0.22 118.68 129.00 1ehw s LEU 35 Ca 0.03 0.10 0.20 0.00 -0.22 0.00 0.00 54.13 54.24 1ehw s LEU 35 Cb -0.14 -3.18 0.23 0.00 0.50 0.00 0.00 46.19 43.61 1ehw s LEU 35 CO 0.02 -1.40 1.20 1.33 -1.32 0.00 0.00 176.35 176.19 1ehw n VAL 36 N 6.63 0.19 -3.62 1.68 0.24 0.43 -4.96 118.33 118.92 1ehw n VAL 36 Ca 0.08 -0.59 -0.07 0.00 -2.04 0.00 0.00 64.34 61.71 1ehw n VAL 36 Cb 0.49 1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 34.05 1ehw n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ehw s GLY 37 N -1.56 -0.05 -0.22 7.63 0.00 -1.13 -0.99 107.32 111.00 1ehw s GLY 37 Ca 0.27 2.69 -0.28 0.00 0.00 0.00 0.00 44.72 47.40 1ehw s GLY 37 CO 0.26 1.55 1.02 -0.29 0.00 0.00 0.00 173.10 175.64 1ehw s MET 38 N -0.33 0.54 -0.15 2.90 0.00 -1.26 -0.13 119.30 120.87 1ehw s MET 38 Ca 0.03 0.36 -0.30 0.00 0.00 0.00 0.00 55.69 55.78 1ehw s MET 38 Cb -0.03 0.26 0.12 0.00 0.00 0.00 0.00 34.83 35.18 1ehw s MET 38 CO -0.06 -0.12 0.97 -1.59 0.00 0.00 0.00 175.02 174.21 1ehw s LYS 39 N -0.46 0.63 -0.17 4.11 -2.85 -0.65 -5.01 119.74 115.34 1ehw s LYS 39 Ca 0.01 0.17 -0.09 0.00 -1.00 0.00 0.00 55.97 55.06 1ehw s LYS 39 Cb -0.03 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 1ehw s LYS 39 CO -0.02 -0.20 0.13 1.41 0.10 0.00 0.00 175.35 176.77 1ehw s MET 40 N -1.08 3.87 0.04 1.78 -2.45 -1.26 -1.56 119.30 118.64 1ehw s MET 40 Ca -0.02 -0.19 -0.25 0.00 -1.25 0.00 0.00 55.69 53.98 1ehw s MET 40 Cb -0.01 -3.32 0.06 0.00 1.25 0.00 0.00 34.83 32.82 1ehw s MET 40 CO 0.02 0.50 0.59 -0.48 1.05 0.00 0.00 175.02 176.70 1ehw s LEU 41 N -0.21 -0.38 -0.39 4.11 2.34 -0.67 -4.99 118.68 118.50 1ehw s LEU 41 Ca 0.11 0.31 -0.25 0.00 0.06 0.00 0.00 54.13 54.35 1ehw s LEU 41 Cb -0.11 2.37 0.02 0.00 -0.56 0.00 0.00 46.19 47.90 1ehw s LEU 41 CO 0.01 -0.74 0.88 -1.58 -1.06 0.00 0.00 176.35 173.85 1ehw s GLN 42 N -2.36 3.75 0.10 1.48 -0.44 -1.26 -1.58 119.66 119.36 1ehw s GLN 42 Ca -0.06 0.42 -0.31 0.00 -2.50 0.00 0.00 55.36 52.91 1ehw s GLN 42 Cb -0.01 -3.83 -0.08 0.00 -1.64 0.00 0.00 33.01 27.46 1ehw s GLN 42 CO -0.01 -0.97 1.37 0.00 0.50 0.00 0.00 175.29 176.18 1ehw s ALA 43 N 3.42 3.57 0.49 1.58 0.00 -1.26 -4.99 121.76 124.57 1ehw s ALA 43 Ca 0.36 1.08 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 1ehw s ALA 43 Cb -0.12 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1ehw s ALA 43 CO 0.20 -0.61 1.15 -2.14 0.00 0.00 0.00 175.76 174.36 1ehw s PRO 44 N 1.15 3.59 0.44 0.00 0.02 -1.26 -4.87 135.00 134.08 1ehw s PRO 44 Ca 0.64 1.70 0.19 0.00 0.02 0.00 0.00 61.00 63.55 1ehw s PRO 44 Cb -0.36 -2.23 1.03 0.00 0.02 0.00 0.00 34.50 32.96 1ehw s PRO 44 CO 0.30 -0.68 1.93 1.49 -0.33 0.00 0.00 177.00 179.72 1ehw h GLU 45 N 1.69 0.00 -0.43 5.54 4.81 -1.99 -2.33 114.58 121.86 1ehw h GLU 45 Ca -0.50 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.66 1ehw h GLU 45 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1ehw h GLU 45 CO 0.59 0.24 -0.02 0.66 -0.73 0.00 0.00 179.01 179.75 1ehw h SER 46 N 0.00 0.69 -0.20 1.04 4.64 -1.99 0.16 113.55 117.90 1ehw h SER 46 Ca -0.00 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 1ehw h SER 46 Cb 0.51 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1ehw h SER 46 CO 0.03 0.77 -0.34 0.58 -0.87 0.00 0.00 176.83 177.01 1ehw h VAL 47 N 0.67 1.33 -0.48 0.95 2.07 -1.82 -2.28 116.25 116.70 1ehw h VAL 47 Ca 0.13 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1ehw h VAL 47 Cb 0.45 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1ehw h VAL 47 CO 0.02 0.48 0.23 -0.07 0.02 0.00 0.00 177.57 178.26 1ehw h LEU 48 N 0.25 0.63 -0.81 2.57 3.38 -1.27 0.33 115.31 120.39 1ehw h LEU 48 Ca 0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ehw h LEU 48 Cb 0.93 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1ehw h LEU 48 CO 0.08 0.58 0.50 0.00 0.09 0.00 0.00 178.44 179.68 1ehw h ALA 49 N 1.08 1.04 -0.18 1.53 0.00 -0.97 0.47 119.26 122.23 1ehw h ALA 49 Ca 0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1ehw h ALA 49 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ehw h ALA 49 CO -0.02 0.49 -0.65 1.49 0.00 0.00 0.00 179.25 180.56 1ehw h GLU 50 N 1.11 0.66 -0.76 0.00 4.81 -1.08 -0.61 114.58 118.73 1ehw h GLU 50 Ca 0.29 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1ehw h GLU 50 Cb -0.06 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1ehw h GLU 50 CO -0.06 1.10 0.35 1.25 -0.73 0.00 0.00 179.01 180.92 1ehw h HIS 51 N 0.48 1.10 -0.57 0.92 2.76 0.31 -3.10 115.15 117.06 1ehw h HIS 51 Ca -0.02 -0.06 -0.20 0.00 -2.20 0.00 0.00 60.37 57.90 1ehw h HIS 51 Cb 1.24 -0.34 -0.12 0.00 1.55 0.00 0.00 27.41 29.74 1ehw h HIS 51 CO 0.06 0.82 0.17 0.66 -1.30 0.00 0.00 177.93 178.34 1ehw n TYR 52 N -4.37 1.85 -0.21 5.26 4.01 0.16 -4.73 117.16 119.13 1ehw n TYR 52 Ca 0.07 -1.31 0.22 0.00 -0.16 0.00 0.00 57.90 56.71 1ehw n TYR 52 Cb 0.15 -0.59 0.58 0.00 -0.31 0.00 0.00 39.34 39.17 1ehw n TYR 52 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1ehw h GLN 53 N 1.85 0.25 0.00 -0.72 3.07 -1.02 -0.41 115.11 118.13 1ehw h GLN 53 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.97 1ehw h GLN 53 Cb 2.03 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 29.54 1ehw h GLN 53 CO 0.58 0.17 0.00 -0.44 0.09 0.00 0.00 178.83 179.23 1ehw h ASP 54 N 0.26 0.00 -0.20 0.06 5.19 -1.87 -2.72 116.42 117.15 1ehw h ASP 54 Ca 0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 1ehw h ASP 54 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1ehw h ASP 54 CO -0.12 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.18 1ehw n LEU 55 N -2.66 3.13 0.23 1.55 4.77 -0.17 -4.47 117.00 119.38 1ehw n LEU 55 Ca 0.01 -1.26 0.13 0.00 -0.03 0.00 0.00 56.01 54.87 1ehw n LEU 55 Cb 0.27 -0.12 0.76 0.00 -2.33 0.00 0.00 43.42 42.01 1ehw n LEU 55 CO 0.24 0.61 1.11 -0.09 -1.33 0.00 0.00 177.39 177.93 1ehw h ARG 56 N 4.32 0.00 -0.47 3.23 1.12 -1.42 -2.35 114.38 118.80 1ehw h ARG 56 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 1ehw h ARG 56 Cb 0.94 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 30.77 1ehw h ARG 56 CO 0.00 0.00 0.07 0.54 -3.11 0.00 0.00 179.97 177.47 1ehw n ARG 57 N -4.19 2.10 -4.52 0.20 1.74 -1.26 -4.93 116.66 105.80 1ehw n ARG 57 Ca -0.01 -3.12 -0.25 0.00 -0.77 0.00 0.00 57.85 53.70 1ehw n ARG 57 Cb 0.18 -1.90 -0.10 0.00 -1.02 0.00 0.00 32.46 29.62 1ehw n ARG 57 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ehw s LYS 58 N -3.21 1.77 0.65 5.56 -0.14 -0.89 -5.12 119.74 118.37 1ehw s LYS 58 Ca 0.47 -1.90 -0.18 0.00 -1.36 0.00 0.00 55.97 53.00 1ehw s LYS 58 Cb 0.41 -1.64 -0.01 0.00 -1.68 0.00 0.00 37.83 34.92 1ehw s LYS 58 CO 0.03 0.14 1.29 -2.14 -0.76 0.00 0.00 175.35 173.91 1ehw s PRO 59 N -3.62 2.52 -1.76 -1.68 0.02 -1.26 -3.68 135.00 125.54 1ehw s PRO 59 Ca 0.32 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1ehw s PRO 59 Cb 0.02 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1ehw s PRO 59 CO 0.16 -1.62 0.00 1.19 -0.33 0.00 0.00 177.00 176.40 1ehw n PHE 60 N -1.97 -0.47 -0.08 6.54 3.72 -1.26 -4.91 117.46 119.02 1ehw n PHE 60 Ca 0.16 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.47 1ehw n PHE 60 Cb 0.48 -3.40 -0.02 0.00 -0.94 0.00 0.00 39.48 35.61 1ehw n PHE 60 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ehw h TYR 61 N 0.00 0.35 -0.89 1.38 3.20 -1.83 -1.37 116.97 117.81 1ehw h TYR 61 Ca -0.41 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.48 1ehw h TYR 61 Cb 1.27 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 1ehw h TYR 61 CO 0.50 0.22 0.59 -1.35 -1.64 0.00 0.00 178.16 176.48 1ehw h PRO 62 N 0.38 1.17 -0.38 1.82 0.11 -1.91 -0.35 132.00 132.85 1ehw h PRO 62 Ca 0.11 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1ehw h PRO 62 Cb -0.03 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.80 1ehw h PRO 62 CO -0.03 0.77 0.06 0.00 -0.21 0.00 0.00 178.00 178.59 1ehw h ALA 63 N 1.45 1.40 -0.22 -0.75 0.00 -1.86 -1.48 119.26 117.80 1ehw h ALA 63 Ca 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ehw h ALA 63 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ehw h ALA 63 CO -0.07 0.43 0.05 1.25 0.00 0.00 0.00 179.25 180.91 1ehw h LEU 64 N 0.55 0.33 -1.06 0.00 5.85 0.02 -2.07 115.31 118.93 1ehw h LEU 64 Ca 0.12 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1ehw h LEU 64 Cb 0.27 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1ehw h LEU 64 CO 0.00 0.48 -0.26 0.40 -0.34 0.00 0.00 178.44 178.73 1ehw h ILE 65 N 0.17 1.26 -0.28 4.05 1.08 -1.08 -2.21 117.51 120.49 1ehw h ILE 65 Ca 0.07 -1.21 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 1ehw h ILE 65 Cb 0.28 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 1ehw h ILE 65 CO 0.00 0.37 0.05 -0.09 -0.69 0.00 0.00 178.15 177.79 1ehw h ARG 66 N 0.32 0.46 -0.03 2.37 2.43 -1.10 -2.83 114.38 115.99 1ehw h ARG 66 Ca 0.05 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ehw h ARG 66 Cb 0.63 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1ehw h ARG 66 CO 0.04 0.57 0.01 -0.92 -1.51 0.00 0.00 179.97 178.17 1ehw h TYR 67 N 0.28 0.06 0.00 2.20 3.20 -1.24 -2.41 116.97 119.06 1ehw h TYR 67 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1ehw h TYR 67 Cb 0.33 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1ehw h TYR 67 CO 0.02 0.23 0.00 -1.33 -1.64 0.00 0.00 178.16 175.45 1ehw n MET 68 N -4.96 0.13 -0.00 1.82 2.81 -0.84 -1.91 117.12 114.16 1ehw n MET 68 Ca -0.07 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1ehw n MET 68 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 1ehw n MET 68 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1ehw n SER 69 N -1.34 1.73 0.00 7.83 3.41 -1.07 -4.65 113.62 119.53 1ehw n SER 69 Ca 0.05 -1.88 0.13 0.00 -0.26 0.00 0.00 58.87 56.91 1ehw n SER 69 Cb 0.10 -0.01 0.75 0.00 -0.26 0.00 0.00 64.21 64.79 1ehw n SER 69 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ehw n SER 70 N -0.44 0.00 0.00 4.04 3.41 -0.80 -4.90 113.62 114.92 1ehw n SER 70 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1ehw n SER 70 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1ehw n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ehw n GLY 71 N 0.74 0.30 3.76 5.00 0.00 -1.26 -5.09 105.19 108.63 1ehw n GLY 71 Ca 0.19 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1ehw n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ehw s PRO 72 N -2.00 2.63 0.22 1.61 0.04 -1.26 -4.67 135.00 131.56 1ehw s PRO 72 Ca 0.00 1.52 0.10 0.00 0.04 0.00 0.00 61.00 62.66 1ehw s PRO 72 Cb 0.00 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1ehw s PRO 72 CO 0.00 -1.41 -0.19 0.14 0.04 0.00 0.00 177.00 175.59 1ehw s VAL 73 N -2.19 2.09 -0.24 -0.36 -7.23 -0.61 -4.00 120.40 107.86 1ehw s VAL 73 Ca 0.70 -2.18 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1ehw s VAL 73 Cb -0.23 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1ehw s VAL 73 CO 0.42 -0.39 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.05 1ehw s VAL 74 N -2.40 2.85 -0.13 1.32 1.01 -1.02 -1.67 120.40 120.36 1ehw s VAL 74 Ca 0.23 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1ehw s VAL 74 Cb -0.04 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1ehw s VAL 74 CO 0.10 0.26 0.14 0.00 0.00 0.00 0.00 175.10 175.60 1ehw s ALA 75 N 1.34 3.85 0.05 5.51 0.00 -0.60 -0.57 121.76 131.34 1ehw s ALA 75 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1ehw s ALA 75 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1ehw s ALA 75 CO -0.05 0.56 -0.06 -1.64 0.00 0.00 0.00 175.76 174.57 1ehw s MET 76 N -0.85 0.55 -0.16 0.00 -1.94 0.75 -1.64 119.30 116.01 1ehw s MET 76 Ca 0.14 -0.91 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 1ehw s MET 76 Cb -0.12 -0.11 0.02 0.00 2.01 0.00 0.00 34.83 36.63 1ehw s MET 76 CO 0.03 -0.01 -0.14 0.08 -0.01 0.00 0.00 175.02 174.97 1ehw s VAL 77 N -2.22 1.61 0.01 -6.03 1.01 0.82 -1.59 120.40 114.01 1ehw s VAL 77 Ca -0.04 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1ehw s VAL 77 Cb -0.04 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1ehw s VAL 77 CO -0.02 0.44 -0.05 0.26 0.00 0.00 0.00 175.10 175.72 1ehw s TRP 78 N 1.46 2.93 0.00 5.22 0.52 -1.01 -0.43 118.94 127.64 1ehw s TRP 78 Ca 0.04 -0.02 0.06 0.00 0.02 0.00 0.00 56.10 56.21 1ehw s TRP 78 Cb -0.13 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1ehw s TRP 78 CO -0.11 0.40 -0.19 -2.00 0.02 0.00 0.00 176.95 175.07 1ehw s GLU 79 N -1.51 1.49 0.00 4.98 2.12 0.69 -2.13 118.70 124.34 1ehw s GLU 79 Ca 0.18 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1ehw s GLU 79 Cb -0.11 -1.48 0.00 0.00 0.26 0.00 0.00 34.13 32.80 1ehw s GLU 79 CO 0.09 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 1ehw n GLY 80 N 2.39 1.96 3.69 -1.50 0.00 -0.57 -1.15 105.19 110.01 1ehw n GLY 80 Ca -0.16 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1ehw n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ehw s TYR 81 N -2.00 2.09 -1.52 1.61 5.04 -1.26 -2.13 117.35 119.18 1ehw s TYR 81 Ca 0.00 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1ehw s TYR 81 Cb 0.00 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1ehw s TYR 81 CO 0.00 -4.87 0.00 -1.71 -1.34 0.00 0.00 175.55 167.63 1ehw n ASN 82 N 5.83 -4.95 0.20 4.32 5.15 -1.26 -4.88 115.26 119.67 1ehw n ASN 82 Ca 0.18 0.13 0.06 0.00 -0.60 0.00 0.00 54.58 54.35 1ehw n ASN 82 Cb 0.38 -4.20 0.55 0.00 -0.53 0.00 0.00 39.78 35.99 1ehw n ASN 82 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1ehw h VAL 83 N 0.00 1.07 0.49 3.44 3.04 -1.74 -2.15 116.25 120.40 1ehw h VAL 83 Ca -0.40 -0.27 -0.02 0.00 -1.01 0.00 0.00 66.70 65.00 1ehw h VAL 83 Cb 1.27 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1ehw h VAL 83 CO 0.49 0.09 -0.24 0.58 -1.01 0.00 0.00 177.57 177.47 1ehw h VAL 84 N 0.11 0.46 -0.26 1.51 2.07 -1.86 -1.35 116.25 116.94 1ehw h VAL 84 Ca 0.03 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1ehw h VAL 84 Cb 0.11 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1ehw h VAL 84 CO 0.00 0.05 -0.26 0.03 0.02 0.00 0.00 177.57 177.41 1ehw h ARG 85 N -0.85 0.50 -0.35 1.57 3.08 -1.89 -2.40 114.38 114.03 1ehw h ARG 85 Ca -0.07 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1ehw h ARG 85 Cb 0.58 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1ehw h ARG 85 CO 0.11 0.72 -0.11 0.00 -1.07 0.00 0.00 179.97 179.62 1ehw h ALA 86 N 1.29 0.49 -0.36 0.04 0.00 -1.40 -1.94 119.26 117.38 1ehw h ALA 86 Ca 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1ehw h ALA 86 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ehw h ALA 86 CO 0.05 0.36 0.08 0.77 0.00 0.00 0.00 179.25 180.51 1ehw h SER 87 N 0.48 0.48 -0.23 0.00 0.02 -1.19 -1.09 113.55 112.03 1ehw h SER 87 Ca 0.09 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1ehw h SER 87 Cb 0.63 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1ehw h SER 87 CO 0.04 0.49 0.08 0.03 -1.14 0.00 0.00 176.83 176.33 1ehw h ARG 88 N 0.52 0.36 -0.04 3.45 2.47 -1.18 -2.56 114.38 117.40 1ehw h ARG 88 Ca 0.12 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.69 1ehw h ARG 88 Cb 0.21 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1ehw h ARG 88 CO -0.00 0.44 -0.34 0.00 0.56 0.00 0.00 179.97 180.63 1ehw h ALA 89 N 0.90 1.37 -0.01 0.04 0.00 -0.85 -3.10 119.26 117.61 1ehw h ALA 89 Ca 0.08 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1ehw h ALA 89 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ehw h ALA 89 CO -0.00 0.46 -0.71 0.52 0.00 0.00 0.00 179.25 179.51 1ehw h MET 90 N 0.07 0.08 0.00 0.00 2.86 -1.05 -3.22 114.93 113.67 1ehw h MET 90 Ca 0.01 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1ehw h MET 90 Cb 0.63 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1ehw h MET 90 CO 0.05 0.76 -0.76 -0.84 1.06 0.00 0.00 176.91 177.17 1ehw h ILE 91 N 0.05 0.85 -0.23 -1.22 3.07 -1.39 0.10 117.51 118.75 1ehw h ILE 91 Ca -0.01 -2.27 0.02 0.00 1.55 0.00 0.00 64.86 64.15 1ehw h ILE 91 Cb 1.26 2.37 -0.01 0.00 -0.27 0.00 0.00 36.82 40.17 1ehw h ILE 91 CO 0.10 0.49 -0.03 0.61 -1.05 0.00 0.00 178.15 178.26 1ehw n GLY 92 N 1.28 -2.19 3.60 0.16 0.00 -1.18 -1.53 105.19 105.32 1ehw n GLY 92 Ca -0.01 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 44.08 1ehw n GLY 92 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ehw n HIS 93 N -1.00 1.41 -0.30 1.61 -0.00 -1.26 -4.89 115.22 110.78 1ehw n HIS 93 Ca 0.00 0.67 0.08 0.00 -0.00 0.00 0.00 57.72 58.47 1ehw n HIS 93 Cb 0.04 -2.28 0.24 0.00 -0.00 0.00 0.00 29.99 27.99 1ehw n HIS 93 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 1ehw h THR 94 N 2.19 0.70 -1.59 3.57 2.02 -1.97 -3.19 112.91 114.64 1ehw h THR 94 Ca -0.41 -0.21 -0.70 0.00 0.77 0.00 0.00 66.41 65.87 1ehw h THR 94 Cb 1.33 0.04 -0.13 0.00 -1.74 0.00 0.00 68.15 67.65 1ehw h THR 94 CO 0.63 0.11 1.64 -0.62 0.37 0.00 0.00 175.52 177.65 1ehw s ASP 95 N -5.40 6.88 0.24 4.18 2.15 -1.26 -4.54 116.67 118.92 1ehw s ASP 95 Ca -0.12 -2.53 0.10 0.00 0.43 0.00 0.00 52.55 50.42 1ehw s ASP 95 Cb 0.22 -2.49 0.77 0.00 -0.30 0.00 0.00 42.92 41.12 1ehw s ASP 95 CO 0.78 -1.02 1.06 -1.20 -0.17 0.00 0.00 175.17 174.63 1ehw n SER 96 N 7.12 0.12 0.20 -0.34 7.64 -1.13 0.75 113.62 127.98 1ehw n SER 96 Ca 0.40 1.13 0.13 0.00 1.01 0.00 0.00 58.87 61.54 1ehw n SER 96 Cb 0.45 -0.50 0.71 0.00 -1.01 0.00 0.00 64.21 63.86 1ehw n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ehw h ALA 97 N 1.35 2.04 -0.33 -0.43 0.00 -1.75 -1.60 119.26 118.54 1ehw h ALA 97 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1ehw h ALA 97 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ehw h ALA 97 CO -0.56 -0.20 0.00 -0.85 0.00 0.00 0.00 179.25 177.64 1ehw n GLU 98 N -4.32 2.94 -2.63 0.00 0.28 0.23 -4.98 120.64 112.17 1ehw n GLU 98 Ca 0.01 -2.39 -0.39 0.00 -0.16 0.00 0.00 57.16 54.22 1ehw n GLU 98 Cb 0.24 -1.52 -0.05 0.00 1.43 0.00 0.00 31.44 31.54 1ehw n GLU 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ehw s ALA 99 N -1.73 3.30 0.28 -1.84 0.00 -0.60 -4.83 121.76 116.34 1ehw s ALA 99 Ca 0.32 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 1ehw s ALA 99 Cb 0.21 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 1ehw s ALA 99 CO 0.14 0.01 1.18 0.00 0.00 0.00 0.00 175.76 177.08 1ehw s ALA 100 N -1.32 3.44 0.36 0.00 0.00 -1.26 -4.43 121.76 118.54 1ehw s ALA 100 Ca 0.46 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 53.16 1ehw s ALA 100 Cb -0.26 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 1ehw s ALA 100 CO 0.33 -0.33 1.48 -1.25 0.00 0.00 0.00 175.76 175.99 1ehw s PRO 101 N -1.37 4.13 0.00 0.00 0.04 -1.26 -2.08 135.00 134.46 1ehw s PRO 101 Ca 0.47 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1ehw s PRO 101 Cb -0.34 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1ehw s PRO 101 CO 0.44 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1ehw n GLY 102 N 0.73 1.20 3.92 0.56 0.00 -1.26 -4.98 105.19 105.36 1ehw n GLY 102 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1ehw n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ehw s THR 103 N -1.59 3.76 0.17 2.61 -4.23 -0.88 -4.92 115.64 110.55 1ehw s THR 103 Ca 0.00 -0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.33 1ehw s THR 103 Cb 0.00 -3.48 0.06 0.00 1.34 0.00 0.00 72.50 70.42 1ehw s THR 103 CO 0.00 -0.47 1.72 0.40 -0.54 0.00 0.00 174.62 175.74 1ehw h ILE 104 N -0.08 1.22 -0.34 2.99 2.04 -0.86 -1.33 117.51 121.15 1ehw h ILE 104 Ca -0.46 -0.68 -0.17 0.00 1.00 0.00 0.00 64.86 64.56 1ehw h ILE 104 Cb 1.25 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1ehw h ILE 104 CO 0.60 0.26 -0.45 0.03 0.00 0.00 0.00 178.15 178.59 1ehw h ARG 105 N 0.76 0.89 0.00 2.37 3.08 -1.53 -1.23 114.38 118.73 1ehw h ARG 105 Ca 0.19 -0.50 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 1ehw h ARG 105 Cb 0.19 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ehw h ARG 105 CO -0.02 1.15 -0.15 0.78 -1.07 0.00 0.00 179.97 180.66 1ehw h GLY 106 N 0.78 0.00 0.74 0.04 0.00 -1.67 -1.17 103.07 101.77 1ehw h GLY 106 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.06 1ehw h GLY 106 CO 0.10 0.00 -1.88 1.22 0.00 0.00 0.00 176.54 175.98 1ehw n ASP 107 N -4.17 0.92 -0.00 0.19 8.00 -0.52 -4.59 116.55 116.38 1ehw n ASP 107 Ca -0.02 0.30 0.03 0.00 0.71 0.00 0.00 54.79 55.81 1ehw n ASP 107 Cb 0.22 0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 1ehw n ASP 107 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ehw n PHE 108 N -3.06 0.00 -4.38 1.24 3.01 -0.48 -5.06 117.46 108.73 1ehw n PHE 108 Ca -0.22 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.02 1ehw n PHE 108 Cb 1.07 -0.05 -0.10 0.00 -0.01 0.00 0.00 39.48 40.38 1ehw n PHE 108 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ehw s SER 109 N -2.00 2.93 0.00 4.37 0.15 -0.45 -5.03 113.70 113.67 1ehw s SER 109 Ca 0.00 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1ehw s SER 109 Cb 0.04 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1ehw s SER 109 CO 0.24 -0.07 0.00 0.55 1.20 0.00 0.00 173.24 175.17 1ehw n VAL 110 N -0.27 0.00 -2.81 4.45 3.14 -1.26 -4.48 118.33 117.09 1ehw n VAL 110 Ca -0.08 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.09 1ehw n VAL 110 Cb 0.59 0.19 0.03 0.00 -1.06 0.00 0.00 33.84 33.59 1ehw n VAL 110 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1ehw s HIS 111 N -1.61 2.95 -0.18 1.45 3.76 -1.26 -3.02 115.29 117.38 1ehw s HIS 111 Ca 0.00 -0.02 -0.09 0.00 -0.15 0.00 0.00 55.06 54.80 1ehw s HIS 111 Cb 0.00 -2.56 -0.21 0.00 1.11 0.00 0.00 32.58 30.92 1ehw s HIS 111 CO 0.00 -0.65 0.14 0.44 -0.85 0.00 0.00 174.74 173.82 1ehw n ILE 112 N -2.18 1.65 0.00 0.60 -0.00 -1.26 -2.82 119.36 115.34 1ehw n ILE 112 Ca 0.06 -0.47 0.00 0.00 -0.00 0.00 0.00 62.75 62.34 1ehw n ILE 112 Cb 0.59 -1.76 0.00 0.00 -0.00 0.00 0.00 39.64 38.47 1ehw n ILE 112 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1ehw n SER 113 N -3.74 0.00 -4.56 7.28 7.64 -1.26 -4.15 113.62 114.83 1ehw n SER 113 Ca -0.37 0.55 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 1ehw n SER 113 Cb 0.94 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 64.03 1ehw n SER 113 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ehw s ARG 114 N -1.23 3.43 -0.35 1.43 0.52 -1.26 -4.82 118.95 116.67 1ehw s ARG 114 Ca 0.00 -0.83 0.06 0.00 -0.52 0.00 0.00 55.73 54.44 1ehw s ARG 114 Cb 0.00 -5.03 0.48 0.00 0.52 0.00 0.00 34.95 30.92 1ehw s ARG 114 CO 0.00 -2.25 1.45 0.27 0.02 0.00 0.00 175.30 174.79 1ehw n ASN 115 N 9.28 4.19 0.00 0.23 6.94 -1.26 -4.16 115.26 130.48 1ehw n ASN 115 Ca 0.25 -3.79 0.00 0.00 -0.02 0.00 0.00 54.58 51.03 1ehw n ASN 115 Cb 0.50 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1ehw n ASN 115 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ehw n VAL 116 N -0.94 0.00 -4.06 3.53 0.31 -1.26 -4.80 118.33 111.10 1ehw n VAL 116 Ca 0.42 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.67 1ehw n VAL 116 Cb 0.93 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.77 1ehw n VAL 116 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1ehw s ILE 117 N 0.00 0.19 0.02 2.52 2.07 -1.26 -0.42 121.20 124.33 1ehw s ILE 117 Ca 0.00 -1.72 0.04 0.00 -1.41 0.00 0.00 60.65 57.56 1ehw s ILE 117 Cb 0.00 -1.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.02 1ehw s ILE 117 CO 0.00 -0.88 -0.12 -2.28 -1.91 0.00 0.00 174.94 169.75 1ehw s HIS 118 N -3.92 1.09 -0.05 3.50 5.65 0.10 -4.88 115.29 116.77 1ehw s HIS 118 Ca 0.09 -0.31 -0.05 0.00 0.25 0.00 0.00 55.06 55.04 1ehw s HIS 118 Cb 0.07 -0.66 0.01 0.00 -1.18 0.00 0.00 32.58 30.83 1ehw s HIS 118 CO -0.09 0.01 0.15 0.00 -0.65 0.00 0.00 174.74 174.16 1ehw s ALA 119 N -0.69 -0.37 0.42 1.58 0.00 -1.26 -0.78 121.76 120.66 1ehw s ALA 119 Ca 0.01 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 1ehw s ALA 119 Cb -0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 23.12 22.74 1ehw s ALA 119 CO 0.01 -0.09 1.23 0.43 0.00 0.00 0.00 175.76 177.34 1ehw n SER 120 N 2.83 2.33 -0.22 0.00 7.64 -0.78 -4.91 113.62 120.52 1ehw n SER 120 Ca -0.14 1.10 0.13 0.00 1.01 0.00 0.00 58.87 60.97 1ehw n SER 120 Cb 0.59 -1.47 0.35 0.00 -1.01 0.00 0.00 64.21 62.66 1ehw n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ehw n ASP 121 N 0.29 0.97 -3.70 6.43 3.85 -1.26 -4.78 116.55 118.35 1ehw n ASP 121 Ca 0.07 -0.82 -0.06 0.00 -0.71 0.00 0.00 54.79 53.27 1ehw n ASP 121 Cb 0.39 0.16 -0.02 0.00 -1.35 0.00 0.00 41.12 40.31 1ehw n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1ehw s SER 122 N -2.57 -0.29 0.16 -1.12 1.04 -1.26 -4.98 113.70 104.68 1ehw s SER 122 Ca 0.22 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 1ehw s SER 122 Cb 0.19 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.90 1ehw s SER 122 CO 0.55 -1.00 1.80 0.58 0.98 0.00 0.00 173.24 176.14 1ehw h VAL 123 N 2.00 1.14 -0.15 5.02 2.07 -1.93 0.27 116.25 124.67 1ehw h VAL 123 Ca -0.24 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 66.86 1ehw h VAL 123 Cb 1.25 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1ehw h VAL 123 CO 0.27 0.14 -0.46 1.05 0.02 0.00 0.00 177.57 178.59 1ehw h GLU 124 N 0.60 0.37 -0.60 1.57 9.09 -1.97 -1.60 114.58 122.04 1ehw h GLU 124 Ca 0.16 -0.20 -0.10 0.00 0.05 0.00 0.00 59.36 59.27 1ehw h GLU 124 Cb -0.02 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.07 1ehw h GLU 124 CO -0.03 0.76 -0.00 0.78 0.05 0.00 0.00 179.01 180.57 1ehw h GLY 125 N 1.21 1.15 0.97 1.06 0.00 -1.86 -2.01 103.07 103.58 1ehw h GLY 125 Ca 0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 1ehw h GLY 125 CO 0.08 0.78 0.12 0.00 0.00 0.00 0.00 176.54 177.52 1ehw h ALA 126 N 0.98 0.26 -0.81 3.60 0.00 -0.16 0.62 119.26 123.76 1ehw h ALA 126 Ca 0.17 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1ehw h ALA 126 Cb 0.56 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1ehw h ALA 126 CO 0.03 -0.23 0.48 1.96 0.00 0.00 0.00 179.25 181.49 1ehw h GLN 127 N 0.25 0.81 0.29 0.00 1.08 -1.12 -0.16 115.11 116.27 1ehw h GLN 127 Ca 0.07 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1ehw h GLN 127 Cb 0.02 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1ehw h GLN 127 CO -0.01 0.54 -0.14 -0.09 -0.95 0.00 0.00 178.83 178.17 1ehw h ARG 128 N 0.84 -0.38 -0.85 1.46 2.43 -0.95 -2.86 114.38 114.07 1ehw h ARG 128 Ca 0.37 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.61 1ehw h ARG 128 Cb 0.27 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1ehw h ARG 128 CO -0.21 -0.10 0.54 0.93 -1.51 0.00 0.00 179.97 179.62 1ehw h GLU 129 N -0.65 1.02 -0.35 0.20 5.08 -0.56 -1.47 114.58 117.85 1ehw h GLU 129 Ca -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ehw h GLU 129 Cb 0.46 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1ehw h GLU 129 CO 0.07 0.67 0.21 0.82 -1.00 0.00 0.00 179.01 179.77 1ehw h ILE 130 N 1.05 1.12 -0.20 3.13 2.04 -1.08 -1.24 117.51 122.33 1ehw h ILE 130 Ca 0.34 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1ehw h ILE 130 Cb 0.03 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1ehw h ILE 130 CO -0.12 0.12 -0.01 1.56 0.00 0.00 0.00 178.15 179.70 1ehw h GLN 131 N 0.45 0.30 -0.13 2.37 4.20 -1.23 -0.26 115.11 120.81 1ehw h GLN 131 Ca 0.12 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1ehw h GLN 131 Cb 0.02 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1ehw h GLN 131 CO -0.02 0.34 -0.02 1.25 -0.67 0.00 0.00 178.83 179.70 1ehw h LEU 132 N 0.29 0.24 0.00 1.46 5.85 -0.49 -3.35 115.31 119.31 1ehw h LEU 132 Ca 0.07 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 1ehw h LEU 132 Cb 0.22 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1ehw h LEU 132 CO 0.01 0.54 -1.14 -0.50 -0.34 0.00 0.00 178.44 177.01 1ehw h TRP 133 N -0.06 0.00 -3.79 1.25 4.06 -1.02 -3.48 115.95 112.91 1ehw h TRP 133 Ca 0.03 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.45 1ehw h TRP 133 Cb 0.43 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.38 1ehw h TRP 133 CO 0.05 0.34 -0.81 -0.06 -3.56 0.00 0.00 178.44 174.40 1ehw s PHE 134 N -3.09 1.73 0.26 0.49 0.08 -0.13 -5.11 117.98 112.21 1ehw s PHE 134 Ca -0.01 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.58 1ehw s PHE 134 Cb 0.09 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.56 1ehw s PHE 134 CO 0.79 0.22 0.48 -0.65 -0.10 0.00 0.00 175.22 175.96 1ehw s GLN 135 N -2.10 3.57 0.52 0.44 -0.21 -1.26 -4.51 119.66 116.11 1ehw s GLN 135 Ca 0.08 -0.18 0.20 0.00 0.02 0.00 0.00 55.36 55.48 1ehw s GLN 135 Cb -0.09 -2.73 1.32 0.00 1.00 0.00 0.00 33.01 32.51 1ehw s GLN 135 CO 0.04 0.29 2.08 0.77 -2.12 0.00 0.00 175.29 176.35 1ehw h SER 136 N 1.73 0.01 0.00 5.90 0.02 -1.95 -0.90 113.55 118.37 1ehw h SER 136 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ehw h SER 136 Cb 1.19 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ehw h SER 136 CO 0.66 0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.82 1ehw n SER 137 N -4.47 0.00 -0.04 3.07 3.41 -1.26 -2.53 113.62 111.81 1ehw n SER 137 Ca 0.03 -1.32 0.07 0.00 -0.26 0.00 0.00 58.87 57.39 1ehw n SER 137 Cb 0.32 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1ehw n SER 137 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ehw n GLU 138 N -0.78 2.18 -3.49 4.33 1.02 -0.34 -4.92 120.64 118.64 1ehw n GLU 138 Ca 0.12 -0.09 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 1ehw n GLU 138 Cb 0.05 -1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 1ehw n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ehw s LEU 139 N -2.60 4.27 -0.15 -4.62 1.43 -1.05 -4.64 118.68 111.32 1ehw s LEU 139 Ca 0.06 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1ehw s LEU 139 Cb 0.11 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1ehw s LEU 139 CO 0.57 0.10 -0.18 0.68 0.23 0.00 0.00 176.35 177.75 1ehw s VAL 140 N 0.34 1.86 -0.30 -1.59 -7.23 -0.16 -5.03 120.40 108.30 1ehw s VAL 140 Ca 0.19 -0.83 -0.15 0.00 -1.81 0.00 0.00 61.98 59.38 1ehw s VAL 140 Cb -0.14 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1ehw s VAL 140 CO 0.06 0.51 0.36 -0.44 -0.31 0.00 0.00 175.10 175.28 1ehw s SER 141 N 1.20 6.21 0.00 4.85 0.01 -1.26 -4.53 113.70 120.18 1ehw s SER 141 Ca 0.01 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1ehw s SER 141 Cb -0.14 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1ehw s SER 141 CO -0.09 -0.24 0.20 -2.67 0.41 0.00 0.00 173.24 170.86