#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hda s LEU 3 N 0.00 1.40 0.74 4.03 1.43 -1.26 -5.07 118.68 119.94 1hda s LEU 3 Ca 0.00 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 1hda s LEU 3 Cb 0.00 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 43.10 1hda s LEU 3 CO 0.00 -3.34 1.10 0.42 0.23 0.00 0.00 176.35 174.77 1hda s THR 4 N -2.98 2.68 0.44 5.49 -4.23 -1.26 -4.82 115.64 110.96 1hda s THR 4 Ca 0.66 0.12 0.12 0.00 -1.18 0.00 0.00 61.69 61.41 1hda s THR 4 Cb -0.17 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.68 1hda s THR 4 CO 0.57 -0.25 2.02 0.00 -0.54 0.00 0.00 174.62 176.42 1hda h ALA 5 N -0.78 1.71 0.07 3.99 0.00 -1.98 0.16 119.26 122.42 1hda h ALA 5 Ca -0.45 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.09 1hda h ALA 5 Cb 1.30 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1hda h ALA 5 CO 0.64 0.22 -1.10 1.05 0.00 0.00 0.00 179.25 180.06 1hda h GLU 6 N 0.19 0.41 -0.24 0.00 9.09 -1.98 -2.36 114.58 119.68 1hda h GLU 6 Ca 0.04 -0.52 -0.11 0.00 0.05 0.00 0.00 59.36 58.82 1hda h GLU 6 Cb 0.18 0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1hda h GLU 6 CO 0.01 1.19 -0.28 0.93 0.05 0.00 0.00 179.01 180.91 1hda h GLU 7 N 0.19 0.61 -0.60 1.06 5.08 -1.83 -1.45 114.58 117.64 1hda h GLU 7 Ca -0.12 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1hda h GLU 7 Cb 1.77 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 1hda h GLU 7 CO 0.19 0.94 0.37 -0.22 -1.00 0.00 0.00 179.01 179.29 1hda h LYS 8 N 0.31 0.72 -0.66 2.33 3.64 -0.75 -0.74 116.57 121.43 1hda h LYS 8 Ca 0.03 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1hda h LYS 8 Cb 0.85 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1hda h LYS 8 CO 0.07 0.48 0.36 0.00 -2.27 0.00 0.00 179.45 178.09 1hda h ALA 9 N 1.25 0.84 -0.14 5.00 0.00 -1.32 -0.96 119.26 123.94 1hda h ALA 9 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1hda h ALA 9 Cb -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1hda h ALA 9 CO -0.09 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.54 1hda h ALA 10 N 1.18 0.18 -0.36 0.00 0.00 -0.62 -1.90 119.26 117.74 1hda h ALA 10 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1hda h ALA 10 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1hda h ALA 10 CO -0.04 -0.16 0.06 0.28 0.00 0.00 0.00 179.25 179.39 1hda h VAL 11 N 0.01 1.24 -0.01 0.00 2.07 -1.10 -0.73 116.25 117.72 1hda h VAL 11 Ca 0.04 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1hda h VAL 11 Cb 0.29 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1hda h VAL 11 CO 0.00 0.28 -0.13 0.74 0.02 0.00 0.00 177.57 178.48 1hda h THR 12 N 0.43 0.66 -0.56 2.57 2.02 -1.18 0.54 112.91 117.40 1hda h THR 12 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1hda h THR 12 Cb 0.35 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1hda h THR 12 CO 0.01 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.22 1hda h ALA 13 N 0.75 0.71 -0.27 6.16 0.00 -1.27 -2.17 119.26 123.17 1hda h ALA 13 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1hda h ALA 13 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1hda h ALA 13 CO -0.14 0.21 0.03 0.35 0.00 0.00 0.00 179.25 179.69 1hda h PHE 14 N 0.75 0.48 -0.72 0.00 3.57 -0.82 -3.08 116.94 117.12 1hda h PHE 14 Ca 0.20 -0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1hda h PHE 14 Cb 0.01 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1hda h PHE 14 CO -0.02 0.57 0.48 2.35 -2.23 0.00 0.00 178.31 179.46 1hda h TRP 15 N 0.25 0.64 0.00 0.41 2.91 -0.69 -1.33 115.95 118.14 1hda h TRP 15 Ca 0.08 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1hda h TRP 15 Cb 0.36 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1hda h TRP 15 CO 0.03 0.30 0.03 0.41 -1.03 0.00 0.00 178.44 178.17 1hda n GLY 16 N -1.47 -0.69 0.03 2.65 0.00 -0.84 -1.06 105.19 103.81 1hda n GLY 16 Ca 0.12 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1hda n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hda n LYS 17 N -1.93 0.08 -2.55 1.61 5.02 -0.50 -4.97 118.16 114.92 1hda n LYS 17 Ca -0.01 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1hda n LYS 17 Cb 0.05 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1hda n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hda s VAL 18 N -2.96 4.38 -0.91 -0.18 1.01 -0.22 -4.98 120.40 116.54 1hda s VAL 18 Ca 0.10 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 1hda s VAL 18 Cb 0.17 -4.10 0.15 0.00 0.00 0.00 0.00 36.38 32.60 1hda s VAL 18 CO 0.80 0.14 1.05 -0.54 0.00 0.00 0.00 175.10 176.55 1hda s LYS 19 N 0.99 3.60 0.27 2.72 1.02 -1.26 -4.92 119.74 122.16 1hda s LYS 19 Ca 0.56 -1.92 -0.01 0.00 0.02 0.00 0.00 55.97 54.62 1hda s LYS 19 Cb -0.26 -4.81 0.48 0.00 -0.52 0.00 0.00 37.83 32.72 1hda s LYS 19 CO 0.29 -1.67 1.85 0.28 -0.92 0.00 0.00 175.35 175.19 1hda h VAL 20 N 5.60 0.99 -0.50 3.17 2.07 -1.96 -0.37 116.25 125.25 1hda h VAL 20 Ca 0.15 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1hda h VAL 20 Cb 1.03 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1hda h VAL 20 CO 1.03 0.19 -0.03 -2.24 0.02 0.00 0.00 177.57 176.54 1hda h ASP 21 N 1.07 0.90 0.30 0.57 3.04 -1.91 -0.85 116.42 119.53 1hda h ASP 21 Ca 0.47 -0.32 -0.01 0.00 -3.24 0.00 0.00 57.03 53.92 1hda h ASP 21 Cb 0.34 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 1hda h ASP 21 CO -0.22 1.00 -0.14 -0.33 -2.04 0.00 0.00 179.24 177.51 1hda h GLU 22 N 0.77 -0.38 -0.51 4.15 5.08 -1.89 -2.07 114.58 119.72 1hda h GLU 22 Ca 0.14 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1hda h GLU 22 Cb 0.57 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1hda h GLU 22 CO 0.03 -0.07 0.05 0.28 -1.00 0.00 0.00 179.01 178.30 1hda h VAL 23 N -0.71 1.24 0.71 3.13 2.07 -1.15 -1.20 116.25 120.34 1hda h VAL 23 Ca -0.04 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1hda h VAL 23 Cb 0.49 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1hda h VAL 23 CO 0.07 0.34 -0.34 1.23 0.02 0.00 0.00 177.57 178.88 1hda h GLY 24 N 0.97 -1.00 1.02 2.17 0.00 -1.20 0.69 103.07 105.72 1hda h GLY 24 Ca 0.16 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.84 1hda h GLY 24 CO 0.01 -0.36 0.43 -1.33 0.00 0.00 0.00 176.54 175.28 1hda h GLY 25 N -0.97 1.18 0.88 4.60 0.00 -1.35 -0.58 103.07 106.83 1hda h GLY 25 Ca -0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1hda h GLY 25 CO 0.16 0.52 -0.04 -2.09 0.00 0.00 0.00 176.54 175.09 1hda h GLU 26 N 1.10 -0.11 0.38 4.80 4.81 -1.12 -0.20 114.58 124.24 1hda h GLU 26 Ca 0.28 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1hda h GLU 26 Cb 0.04 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1hda h GLU 26 CO -0.04 0.03 -0.22 0.00 -0.73 0.00 0.00 179.01 178.05 1hda h ALA 27 N 0.67 -0.56 -0.44 2.92 0.00 -0.68 0.95 119.26 122.11 1hda h ALA 27 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1hda h ALA 27 Cb 0.19 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1hda h ALA 27 CO 0.02 -0.83 0.27 1.25 0.00 0.00 0.00 179.25 179.96 1hda h LEU 28 N -0.57 0.44 -0.06 0.00 5.85 -1.12 -0.97 115.31 118.87 1hda h LEU 28 Ca -0.04 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1hda h LEU 28 Cb 0.47 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1hda h LEU 28 CO 0.05 0.31 -0.02 1.23 -0.34 0.00 0.00 178.44 179.67 1hda h GLY 29 N 0.54 0.03 1.31 3.75 0.00 -0.88 -2.31 103.07 105.50 1hda h GLY 29 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1hda h GLY 29 CO -0.08 -0.03 0.36 3.21 0.00 0.00 0.00 176.54 180.00 1hda h ARG 30 N -0.01 0.91 -0.36 4.80 3.08 -0.48 -2.37 114.38 119.95 1hda h ARG 30 Ca 0.03 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1hda h ARG 30 Cb 0.06 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1hda h ARG 30 CO -0.07 0.67 0.15 1.25 -1.07 0.00 0.00 179.97 180.89 1hda h LEU 31 N 0.92 0.19 -1.61 3.04 5.85 -0.80 0.70 115.31 123.59 1hda h LEU 31 Ca 0.23 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1hda h LEU 31 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1hda h LEU 31 CO -0.04 0.14 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.97 1hda h LEU 32 N 0.31 0.00 0.03 2.25 4.07 -0.92 -2.25 115.31 118.80 1hda h LEU 32 Ca 0.16 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.91 1hda h LEU 32 Cb 0.11 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1hda h LEU 32 CO -0.14 0.17 -1.11 0.58 -1.08 0.00 0.00 178.44 176.86 1hda h VAL 33 N 0.00 1.08 -0.02 1.22 2.07 -1.08 -3.28 116.25 116.24 1hda h VAL 33 Ca -0.00 -2.27 -0.18 0.00 0.82 0.00 0.00 66.70 65.07 1hda h VAL 33 Cb 0.49 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1hda h VAL 33 CO 0.02 0.48 -0.78 0.58 0.02 0.00 0.00 177.57 177.89 1hda h VAL 34 N -0.79 1.46 -2.48 2.57 2.07 -0.92 -3.36 116.25 114.81 1hda h VAL 34 Ca -0.28 -2.40 -0.60 0.00 0.82 0.00 0.00 66.70 64.24 1hda h VAL 34 Cb 1.39 2.30 -0.41 0.00 -1.52 0.00 0.00 31.29 33.06 1hda h VAL 34 CO -0.10 0.70 -0.74 -1.22 0.02 0.00 0.00 177.57 176.24 1hda n TYR 35 N -3.73 2.08 0.16 1.57 4.01 -0.85 -5.01 117.16 115.38 1hda n TYR 35 Ca -0.03 -3.97 0.18 0.00 -0.16 0.00 0.00 57.90 53.92 1hda n TYR 35 Cb 0.74 -0.41 0.79 0.00 -0.31 0.00 0.00 39.34 40.15 1hda n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hda h PRO 36 N 4.78 0.00 0.00 -0.72 0.13 -1.71 -1.85 132.00 132.62 1hda h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1hda h PRO 36 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1hda h PRO 36 CO 0.66 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.54 1hda h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.05 115.95 114.63 1hda h TRP 37 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.11 1hda h TRP 37 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.93 1hda h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1hda n THR 38 N -2.90 0.81 0.31 0.12 -2.24 -0.70 -2.46 114.28 107.23 1hda n THR 38 Ca -0.02 0.19 0.18 0.00 -2.27 0.00 0.00 64.05 62.13 1hda n THR 38 Cb 0.11 -1.12 0.99 0.00 -2.10 0.00 0.00 70.33 68.22 1hda n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1hda h GLN 39 N 0.00 0.00 -0.94 -0.78 4.20 -1.39 -3.11 115.11 113.10 1hda h GLN 39 Ca 0.00 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.98 1hda h GLN 39 Cb 0.39 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1hda h GLN 39 CO 0.00 0.02 0.67 0.07 -0.67 0.00 0.00 178.83 178.92 1hda h ARG 40 N 0.00 0.03 -0.00 1.46 0.11 -1.69 -0.83 114.38 113.45 1hda h ARG 40 Ca -0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hda h ARG 40 Cb 0.09 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1hda h ARG 40 CO 0.00 0.02 -0.41 1.19 0.10 0.00 0.00 179.97 180.87 1hda n PHE 41 N -4.27 0.00 -1.72 4.08 3.72 -1.17 -4.34 117.46 113.75 1hda n PHE 41 Ca 0.20 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.64 1hda n PHE 41 Cb 0.99 -0.25 0.18 0.00 -0.94 0.00 0.00 39.48 39.46 1hda n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hda n PHE 42 N -1.35 0.10 -0.14 1.38 3.72 -0.32 -4.80 117.46 116.04 1hda n PHE 42 Ca 0.07 -1.42 0.12 0.00 -0.05 0.00 0.00 57.45 56.17 1hda n PHE 42 Cb 0.34 -0.24 0.47 0.00 -0.94 0.00 0.00 39.48 39.10 1hda n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1hda h GLU 43 N 1.05 0.47 0.00 -1.08 4.39 -1.75 -0.57 114.58 117.09 1hda h GLU 43 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1hda h GLU 43 Cb 1.12 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1hda h GLU 43 CO 0.04 0.31 0.00 0.66 -1.16 0.00 0.00 179.01 178.86 1hda h SER 44 N 0.49 0.00 0.45 1.42 4.64 -1.93 -3.06 113.55 115.56 1hda h SER 44 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1hda h SER 44 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1hda h SER 44 CO -0.11 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.59 1hda h PHE 45 N 0.00 0.00 0.00 4.77 -1.00 -1.48 -3.48 116.94 115.75 1hda h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1hda h PHE 45 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1hda h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1hda n GLY 46 N -0.55 0.23 3.65 -1.45 0.00 -1.16 -4.79 105.19 101.12 1hda n GLY 46 Ca 0.00 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 1hda n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hda s ASP 47 N -4.00 6.75 -0.07 1.61 2.15 -1.26 -4.88 116.67 116.97 1hda s ASP 47 Ca 0.00 1.67 0.10 0.00 0.43 0.00 0.00 52.55 54.75 1hda s ASP 47 Cb 0.00 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.23 1hda s ASP 47 CO 0.00 -0.93 1.07 0.18 -0.17 0.00 0.00 175.17 175.31 1hda n LEU 48 N 7.19 1.27 0.12 -1.34 4.77 -1.26 -4.24 117.00 123.51 1hda n LEU 48 Ca 0.15 -2.08 0.01 0.00 -0.03 0.00 0.00 56.01 54.07 1hda n LEU 48 Cb 0.45 -0.22 0.35 0.00 -2.33 0.00 0.00 43.42 41.67 1hda n LEU 48 CO 0.60 0.49 0.81 0.77 -1.33 0.00 0.00 177.39 178.73 1hda h SER 49 N 0.00 0.20 -3.58 -1.43 4.64 -1.93 -3.44 113.55 108.00 1hda h SER 49 Ca 0.00 -0.05 -0.40 0.00 -0.47 0.00 0.00 61.79 60.87 1hda h SER 49 Cb 1.16 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.05 1hda h SER 49 CO 0.00 0.43 -0.70 0.42 -0.87 0.00 0.00 176.83 176.11 1hda s THR 50 N -4.53 1.36 0.17 2.95 -4.23 -1.26 -5.04 115.64 105.07 1hda s THR 50 Ca -0.05 -2.11 -0.16 0.00 -1.18 0.00 0.00 61.69 58.20 1hda s THR 50 Cb 0.15 -2.11 0.11 0.00 1.34 0.00 0.00 72.50 71.99 1hda s THR 50 CO 0.74 -0.54 1.68 0.00 -0.54 0.00 0.00 174.62 175.96 1hda h ALA 51 N 2.57 0.36 -0.41 3.99 0.00 -1.98 -1.89 119.26 121.90 1hda h ALA 51 Ca -0.38 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1hda h ALA 51 Cb 1.21 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1hda h ALA 51 CO 0.64 -0.42 0.19 -0.44 0.00 0.00 0.00 179.25 179.22 1hda h ASP 52 N 0.05 0.26 -0.69 0.00 5.19 -1.98 -0.90 116.42 118.36 1hda h ASP 52 Ca 0.22 0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.72 1hda h ASP 52 Cb 0.33 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.76 1hda h ASP 52 CO -0.41 0.19 0.39 0.00 -3.12 0.00 0.00 179.24 176.29 1hda h ALA 53 N 1.23 0.94 0.20 3.45 0.00 -1.71 0.39 119.26 123.76 1hda h ALA 53 Ca 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1hda h ALA 53 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hda h ALA 53 CO -0.14 0.07 -0.10 0.28 0.00 0.00 0.00 179.25 179.36 1hda h VAL 54 N 0.71 0.89 -0.38 0.00 2.07 -0.99 -1.95 116.25 116.61 1hda h VAL 54 Ca 0.31 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1hda h VAL 54 Cb 0.20 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1hda h VAL 54 CO -0.19 0.14 0.01 0.24 0.02 0.00 0.00 177.57 177.80 1hda h MET 55 N -0.61 0.59 -0.01 1.57 2.86 -1.01 -2.40 114.93 115.92 1hda h MET 55 Ca -0.03 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1hda h MET 55 Cb 0.44 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1hda h MET 55 CO 0.05 0.60 -0.24 0.09 1.06 0.00 0.00 176.91 178.47 1hda n ASN 56 N -4.27 1.07 -4.65 1.22 5.03 0.11 -4.90 115.26 108.87 1hda n ASN 56 Ca 0.02 -0.94 -0.42 0.00 0.87 0.00 0.00 54.58 54.10 1hda n ASN 56 Cb 0.25 0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 39.11 1hda n ASN 56 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1hda s ASN 57 N -2.46 6.50 0.42 6.41 3.84 -0.73 -4.89 114.94 124.02 1hda s ASN 57 Ca 0.25 2.33 0.09 0.00 0.21 0.00 0.00 52.86 55.74 1hda s ASN 57 Cb 0.19 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 39.25 1hda s ASN 57 CO 0.50 -1.05 2.03 1.55 -2.79 0.00 0.00 177.10 177.34 1hda h PRO 58 N 10.30 0.40 0.02 0.43 0.13 -1.89 -2.15 132.00 139.24 1hda h PRO 58 Ca -0.43 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.46 1hda h PRO 58 Cb 1.20 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1hda h PRO 58 CO 0.95 0.32 -0.95 0.87 -0.23 0.00 0.00 178.00 178.97 1hda h LYS 59 N 0.40 0.12 -0.61 0.86 1.57 -1.90 -1.32 116.57 115.69 1hda h LYS 59 Ca 0.10 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1hda h LYS 59 Cb 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1hda h LYS 59 CO -0.01 0.97 0.02 0.28 -0.57 0.00 0.00 179.45 180.14 1hda h VAL 60 N 0.05 1.26 0.60 0.50 2.07 -1.78 -1.01 116.25 117.95 1hda h VAL 60 Ca -0.04 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1hda h VAL 60 Cb 1.62 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1hda h VAL 60 CO 0.14 0.41 -0.29 0.50 0.02 0.00 0.00 177.57 178.34 1hda h LYS 61 N 0.97 -0.78 -0.25 1.57 1.63 -1.33 0.57 116.57 118.94 1hda h LYS 61 Ca 0.18 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1hda h LYS 61 Cb 0.52 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1hda h LYS 61 CO 0.03 -0.52 0.16 0.00 -3.45 0.00 0.00 179.45 175.67 1hda h ALA 62 N -0.41 0.32 -0.68 5.00 0.00 -1.22 -2.05 119.26 120.22 1hda h ALA 62 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1hda h ALA 62 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1hda h ALA 62 CO 0.14 -0.19 0.29 1.25 0.00 0.00 0.00 179.25 180.73 1hda h HIS 63 N 0.33 1.02 -0.70 0.00 -0.00 -1.15 -1.27 115.15 113.37 1hda h HIS 63 Ca 0.09 -0.07 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1hda h HIS 63 Cb -0.01 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.04 1hda h HIS 63 CO -0.05 0.79 0.42 0.78 -0.00 0.00 0.00 177.93 179.86 1hda h GLY 64 N 0.96 1.03 0.86 5.26 0.00 -0.66 -0.47 103.07 110.06 1hda h GLY 64 Ca 0.23 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1hda h GLY 64 CO -0.02 0.21 0.11 1.70 0.00 0.00 0.00 176.54 178.54 1hda h LYS 65 N 0.78 0.23 -0.09 4.80 3.64 -1.01 -1.75 116.57 123.17 1hda h LYS 65 Ca 0.30 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1hda h LYS 65 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1hda h LYS 65 CO -0.16 0.15 -0.05 -0.22 -2.27 0.00 0.00 179.45 176.91 1hda h LYS 66 N 0.24 -0.04 -0.44 1.90 3.64 -0.38 0.47 116.57 121.96 1hda h LYS 66 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1hda h LYS 66 Cb 0.04 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1hda h LYS 66 CO -0.08 -0.03 0.26 0.28 -2.27 0.00 0.00 179.45 177.61 1hda h VAL 67 N -0.05 1.14 -0.03 2.00 2.07 -1.00 -2.08 116.25 118.30 1hda h VAL 67 Ca 0.05 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1hda h VAL 67 Cb 0.13 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1hda h VAL 67 CO -0.12 0.14 -0.57 0.25 0.02 0.00 0.00 177.57 177.29 1hda h LEU 68 N 0.58 0.11 -0.89 2.57 5.85 -1.14 0.29 115.31 122.67 1hda h LEU 68 Ca 0.16 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1hda h LEU 68 Cb -0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1hda h LEU 68 CO -0.03 0.66 0.09 0.44 -0.34 0.00 0.00 178.44 179.26 1hda h ASP 69 N 0.08 0.86 -0.31 1.25 3.32 -0.71 0.19 116.42 121.09 1hda h ASP 69 Ca -0.00 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.78 1hda h ASP 69 Cb 1.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1hda h ASP 69 CO 0.08 0.87 -0.13 -1.28 -1.72 0.00 0.00 179.24 177.06 1hda h SER 70 N 0.86 0.66 -0.53 6.45 0.87 -0.86 -2.33 113.55 118.68 1hda h SER 70 Ca 0.18 -0.40 0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1hda h SER 70 Cb 0.38 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1hda h SER 70 CO 0.01 0.91 0.31 0.15 -0.53 0.00 0.00 176.83 177.68 1hda h PHE 71 N 0.41 0.59 -0.72 2.24 3.04 0.08 -1.92 116.94 120.65 1hda h PHE 71 Ca 0.07 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.17 1hda h PHE 71 Cb 0.65 -0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.92 1hda h PHE 71 CO 0.06 0.33 0.48 0.77 -2.02 0.00 0.00 178.31 177.93 1hda h SER 72 N 0.62 0.42 -0.69 0.41 0.02 -0.41 0.28 113.55 114.20 1hda h SER 72 Ca 0.22 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1hda h SER 72 Cb 0.03 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1hda h SER 72 CO -0.10 0.23 0.31 -1.13 -1.14 0.00 0.00 176.83 174.99 1hda h ASN 73 N 0.45 0.95 -0.04 3.07 -0.73 -0.80 -1.92 115.58 116.56 1hda h ASN 73 Ca 0.35 -0.13 -0.10 0.00 1.87 0.00 0.00 56.30 58.29 1hda h ASN 73 Cb 0.73 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1hda h ASN 73 CO -0.11 0.83 -0.29 1.23 -0.37 0.00 0.00 177.43 178.72 1hda h GLY 74 N 1.08 0.53 2.00 1.57 0.00 -0.23 -2.25 103.07 105.78 1hda h GLY 74 Ca 0.24 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1hda h GLY 74 CO -0.02 0.41 -0.00 -0.33 0.00 0.00 0.00 176.54 176.59 1hda h MET 75 N 0.42 0.00 0.00 4.80 2.86 -0.52 0.22 114.93 122.71 1hda h MET 75 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1hda h MET 75 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1hda h MET 75 CO 0.05 0.00 -0.47 1.63 1.06 0.00 0.00 176.91 179.18 1hda n LYS 76 N -3.32 0.08 -2.47 1.72 4.76 -0.85 -4.29 118.16 113.79 1hda n LYS 76 Ca -0.03 0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1hda n LYS 76 Cb 0.07 -1.55 0.04 0.00 -1.84 0.00 0.00 35.03 31.75 1hda n LYS 76 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1hda n HIS 77 N -1.67 1.94 0.29 2.13 8.25 0.73 -4.91 115.22 121.99 1hda n HIS 77 Ca 0.05 -2.20 0.08 0.00 -0.26 0.00 0.00 57.72 55.39 1hda n HIS 77 Cb 0.36 -0.28 0.44 0.00 1.12 0.00 0.00 29.99 31.63 1hda n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hda h LEU 78 N 2.43 0.00 0.02 2.41 3.38 -1.67 0.36 115.31 122.24 1hda h LEU 78 Ca 0.09 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 1hda h LEU 78 Cb 1.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1hda h LEU 78 CO 0.45 0.00 -1.70 -2.24 0.09 0.00 0.00 178.44 175.04 1hda h ASP 79 N 0.00 0.07 -2.10 -0.43 2.03 -1.91 -3.26 116.42 110.82 1hda h ASP 79 Ca 0.00 -0.14 -0.57 0.00 -0.73 0.00 0.00 57.03 55.59 1hda h ASP 79 Cb 1.10 -0.02 -0.41 0.00 -0.83 0.00 0.00 39.33 39.18 1hda h ASP 79 CO 0.00 1.12 -0.87 -0.67 -1.03 0.00 0.00 179.24 177.79 1hda n ASP 80 N -3.13 2.01 -0.14 4.15 2.03 0.12 -4.88 116.55 116.71 1hda n ASP 80 Ca -0.18 -3.10 -0.10 0.00 0.52 0.00 0.00 54.79 51.93 1hda n ASP 80 Cb 1.04 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 40.84 1hda n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1hda h LEU 81 N 3.90 0.95 -0.03 -2.67 3.38 -1.77 -1.63 115.31 117.43 1hda h LEU 81 Ca 0.13 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1hda h LEU 81 Cb 0.77 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1hda h LEU 81 CO 0.64 1.11 -0.12 0.11 0.09 0.00 0.00 178.44 180.27 1hda h LYS 82 N 0.82 -0.19 -0.46 1.13 1.79 -1.91 -0.27 116.57 117.49 1hda h LYS 82 Ca 0.12 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 1hda h LYS 82 Cb 0.74 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 1hda h LYS 82 CO 0.06 -0.12 0.13 0.78 -1.08 0.00 0.00 179.45 179.21 1hda h GLY 83 N -0.19 0.78 0.62 3.86 0.00 -1.95 -0.75 103.07 105.43 1hda h GLY 83 Ca 0.06 -0.48 0.06 0.00 0.00 0.00 0.00 47.33 46.97 1hda h GLY 83 CO -0.15 0.45 0.26 -0.84 0.00 0.00 0.00 176.54 176.25 1hda h THR 84 N 0.61 0.90 -0.68 4.70 2.02 -0.75 -2.99 112.91 116.73 1hda h THR 84 Ca 0.15 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1hda h THR 84 Cb 0.29 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1hda h THR 84 CO -0.00 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.47 1hda n PHE 85 N -4.91 1.11 -0.11 3.16 3.72 -0.16 -4.60 117.46 115.67 1hda n PHE 85 Ca 0.06 -0.54 -0.05 0.00 -0.05 0.00 0.00 57.45 56.87 1hda n PHE 85 Cb 0.18 -0.08 0.02 0.00 -0.94 0.00 0.00 39.48 38.66 1hda n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hda h ALA 86 N 4.06 0.36 -0.62 4.37 0.00 -0.97 0.27 119.26 126.73 1hda h ALA 86 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1hda h ALA 86 Cb 1.13 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1hda h ALA 86 CO 0.08 -0.38 0.03 0.00 0.00 0.00 0.00 179.25 178.98 1hda h ALA 87 N 1.32 0.89 0.00 0.00 0.00 -1.81 -2.61 119.26 117.05 1hda h ALA 87 Ca 0.18 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1hda h ALA 87 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1hda h ALA 87 CO -0.29 0.66 -0.53 -0.07 0.00 0.00 0.00 179.25 179.02 1hda h LEU 88 N 0.97 0.00 -0.07 0.00 3.38 -1.74 -2.15 115.31 115.71 1hda h LEU 88 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1hda h LEU 88 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1hda h LEU 88 CO 0.02 0.53 0.01 -1.28 0.09 0.00 0.00 178.44 177.82 1hda h SER 89 N 0.00 0.11 -0.55 -0.43 0.87 -0.26 -1.35 113.55 111.95 1hda h SER 89 Ca -0.01 -0.27 0.09 0.00 -1.23 0.00 0.00 61.79 60.38 1hda h SER 89 Cb 1.04 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.90 1hda h SER 89 CO 0.07 0.35 0.16 -0.08 -0.53 0.00 0.00 176.83 176.79 1hda h GLU 90 N -0.13 0.30 -0.26 2.24 4.81 -1.44 -1.64 114.58 118.47 1hda h GLU 90 Ca 0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1hda h GLU 90 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1hda h GLU 90 CO 0.00 0.20 0.04 1.25 -0.73 0.00 0.00 179.01 179.77 1hda h LEU 91 N 0.31 0.41 -1.60 1.64 5.85 -1.25 -1.24 115.31 119.43 1hda h LEU 91 Ca 0.28 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1hda h LEU 91 Cb 0.36 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1hda h LEU 91 CO -0.32 0.56 0.03 0.45 -0.34 0.00 0.00 178.44 178.82 1hda h HIS 92 N 0.24 0.28 0.00 1.25 3.86 -0.81 -1.42 115.15 118.55 1hda h HIS 92 Ca 0.08 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1hda h HIS 92 Cb 0.33 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1hda h HIS 92 CO 0.02 0.27 -0.03 0.00 0.86 0.00 0.00 177.93 179.05 1hda h ASP 94 N -0.63 0.48 0.02 0.00 3.32 -1.30 -2.88 116.42 115.44 1hda h ASP 94 Ca 0.00 -0.39 -0.37 0.00 0.02 0.00 0.00 57.03 56.29 1hda h ASP 94 Cb 0.03 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1hda h ASP 94 CO 0.00 0.76 -2.06 0.29 -1.72 0.00 0.00 179.24 176.51 1hda n LYS 95 N -4.54 0.63 0.06 3.56 4.01 -0.63 -4.65 118.16 116.61 1hda n LYS 95 Ca -0.04 0.33 0.12 0.00 -0.51 0.00 0.00 58.31 58.21 1hda n LYS 95 Cb 0.32 -1.61 0.08 0.00 -0.51 0.00 0.00 35.03 33.31 1hda n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1hda n LEU 96 N -3.97 0.71 -3.85 -0.35 4.77 -0.66 -4.98 117.00 108.67 1hda n LEU 96 Ca -0.42 0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.49 1hda n LEU 96 Cb 0.88 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.86 1hda n LEU 96 CO 0.20 -0.07 -0.01 1.41 -1.33 0.00 0.00 177.39 177.58 1hda n HIS 97 N -2.24 -2.03 -3.22 -1.77 8.25 0.67 -4.95 115.22 109.92 1hda n HIS 97 Ca 0.02 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 57.93 1hda n HIS 97 Cb 0.47 -4.05 -0.07 0.00 1.12 0.00 0.00 29.99 27.46 1hda n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hda s VAL 98 N -3.53 5.06 0.14 1.59 1.01 -0.69 -5.04 120.40 118.94 1hda s VAL 98 Ca 0.32 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 1hda s VAL 98 Cb -0.16 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1hda s VAL 98 CO 0.84 0.08 1.60 -0.62 0.00 0.00 0.00 175.10 177.00 1hda s ASP 99 N 1.52 6.58 0.28 3.32 2.15 -1.26 -4.77 116.67 124.49 1hda s ASP 99 Ca 0.22 2.59 0.21 0.00 0.43 0.00 0.00 52.55 55.99 1hda s ASP 99 Cb -0.16 -2.58 1.06 0.00 -0.30 0.00 0.00 42.92 40.94 1hda s ASP 99 CO 0.09 -0.85 1.63 -2.65 -0.17 0.00 0.00 175.17 173.22 1hda n PRO 100 N 4.49 0.14 -0.04 4.34 -0.02 -1.26 -1.78 135.00 140.86 1hda n PRO 100 Ca 0.15 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.28 1hda n PRO 100 Cb 0.39 -1.91 0.47 0.00 -0.02 0.00 0.00 33.50 32.43 1hda n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1hda h GLU 101 N 0.00 0.46 -0.66 -0.52 4.57 -1.98 -1.62 114.58 114.83 1hda h GLU 101 Ca 0.00 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1hda h GLU 101 Cb 0.09 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1hda h GLU 101 CO 0.00 0.31 0.44 -0.91 -1.18 0.00 0.00 179.01 177.66 1hda h ASN 102 N 0.48 0.69 -0.23 1.04 2.35 -1.73 -2.04 115.58 116.14 1hda h ASN 102 Ca 0.22 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1hda h ASN 102 Cb 0.26 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1hda h ASN 102 CO -0.06 0.48 -0.07 -0.26 -1.65 0.00 0.00 177.43 175.88 1hda h PHE 103 N 0.80 0.62 -0.21 1.19 0.04 -1.48 -0.31 116.94 117.60 1hda h PHE 103 Ca 0.26 -0.09 -0.17 0.00 2.80 0.00 0.00 57.97 60.78 1hda h PHE 103 Cb 0.05 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1hda h PHE 103 CO -0.00 0.64 -0.52 0.87 -0.60 0.00 0.00 178.31 178.70 1hda h LYS 104 N 0.54 0.72 0.07 1.51 1.57 -1.42 -1.97 116.57 117.60 1hda h LYS 104 Ca 0.11 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1hda h LYS 104 Cb 0.45 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1hda h LYS 104 CO 0.02 1.12 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.87 1hda h LEU 105 N 0.43 -0.20 -1.11 2.94 3.38 -1.19 -0.35 115.31 119.21 1hda h LEU 105 Ca -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1hda h LEU 105 Cb 1.13 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1hda h LEU 105 CO 0.11 -0.12 0.29 0.25 0.09 0.00 0.00 178.44 179.06 1hda h LEU 106 N -0.17 0.83 -0.77 1.67 5.85 -1.09 -0.95 115.31 120.68 1hda h LEU 106 Ca 0.01 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1hda h LEU 106 Cb 0.17 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1hda h LEU 106 CO -0.02 0.72 0.44 1.23 -0.34 0.00 0.00 178.44 180.46 1hda h GLY 107 N 1.00 1.14 1.32 3.75 0.00 -0.88 0.12 103.07 109.53 1hda h GLY 107 Ca 0.22 -0.51 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 1hda h GLY 107 CO -0.03 0.49 -0.42 3.43 0.00 0.00 0.00 176.54 180.01 1hda h ASN 108 N 1.07 0.79 -0.16 0.19 2.35 -0.40 -2.26 115.58 117.15 1hda h ASN 108 Ca 0.27 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1hda h ASN 108 Cb 0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1hda h ASN 108 CO -0.05 1.11 -0.25 0.58 -1.65 0.00 0.00 177.43 177.17 1hda h VAL 109 N 0.60 1.27 -0.60 2.81 2.07 -0.88 -2.69 116.25 118.83 1hda h VAL 109 Ca 0.04 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1hda h VAL 109 Cb 0.98 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1hda h VAL 109 CO 0.09 0.43 0.38 0.25 0.02 0.00 0.00 177.57 178.74 1hda h LEU 110 N 0.55 0.65 -0.64 2.57 5.85 -0.55 -0.50 115.31 123.23 1hda h LEU 110 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1hda h LEU 110 Cb 0.71 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1hda h LEU 110 CO 0.05 0.46 0.34 0.58 -0.34 0.00 0.00 178.44 179.54 1hda h VAL 111 N 0.77 1.21 -0.76 1.05 2.07 -1.12 -1.84 116.25 117.63 1hda h VAL 111 Ca 0.23 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1hda h VAL 111 Cb -0.05 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1hda h VAL 111 CO -0.07 0.23 0.37 0.58 0.02 0.00 0.00 177.57 178.70 1hda h VAL 112 N 0.87 1.24 -0.57 2.57 2.07 -1.13 -1.91 116.25 119.41 1hda h VAL 112 Ca 0.22 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1hda h VAL 112 Cb 0.06 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1hda h VAL 112 CO -0.03 0.29 0.26 0.58 0.02 0.00 0.00 177.57 178.68 1hda h VAL 113 N 1.07 1.21 -0.82 2.57 2.07 -0.75 0.15 116.25 121.74 1hda h VAL 113 Ca 0.26 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1hda h VAL 113 Cb 0.12 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1hda h VAL 113 CO -0.03 0.25 0.46 -0.07 0.02 0.00 0.00 177.57 178.19 1hda h LEU 114 N 0.77 1.02 -0.45 2.57 3.38 -1.22 0.44 115.31 121.82 1hda h LEU 114 Ca 0.19 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1hda h LEU 114 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1hda h LEU 114 CO -0.02 0.81 -0.07 0.00 0.09 0.00 0.00 178.44 179.26 1hda h ALA 115 N 1.24 0.61 -0.30 1.53 0.00 -0.99 0.72 119.26 122.07 1hda h ALA 115 Ca 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1hda h ALA 115 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1hda h ALA 115 CO -0.05 0.46 0.10 -0.09 0.00 0.00 0.00 179.25 179.68 1hda h ARG 116 N 0.67 0.45 -0.07 0.00 2.43 -0.41 -1.71 114.38 115.74 1hda h ARG 116 Ca 0.12 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1hda h ARG 116 Cb 0.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1hda h ARG 116 CO 0.04 0.49 -0.53 -0.91 -1.51 0.00 0.00 179.97 177.54 1hda h ASN 117 N 0.32 0.23 -0.02 -3.80 4.21 -0.85 -3.33 115.58 112.34 1hda h ASN 117 Ca 0.10 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1hda h ASN 117 Cb 0.21 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1hda h ASN 117 CO -0.01 0.72 0.00 0.49 -1.29 0.00 0.00 177.43 177.35 1hda n PHE 118 N -3.92 0.00 0.00 1.19 3.01 0.24 -5.06 117.46 112.91 1hda n PHE 118 Ca -0.02 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1hda n PHE 118 Cb 0.56 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1hda n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hda n GLY 119 N 0.76 3.11 0.27 1.37 0.00 -0.65 -1.70 105.19 108.36 1hda n GLY 119 Ca 0.08 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1hda n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1hda h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -2.41 116.57 113.81 1hda h LYS 120 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1hda h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1hda h LYS 120 CO 0.00 0.06 -0.15 1.49 -0.00 0.00 0.00 179.45 180.84 1hda h GLU 121 N 0.00 0.00 -5.10 0.07 4.81 -1.73 -3.30 114.58 109.33 1hda h GLU 121 Ca -0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1hda h GLU 121 Cb 0.13 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.37 1hda h GLU 121 CO 0.01 0.15 1.54 0.12 -0.73 0.00 0.00 179.01 180.10 1hda s PHE 122 N -4.61 3.26 0.75 0.92 5.36 -0.91 -4.95 117.98 117.81 1hda s PHE 122 Ca -0.04 -1.92 -0.11 0.00 -0.96 0.00 0.00 56.93 53.91 1hda s PHE 122 Cb 0.15 -4.44 0.04 0.00 -0.34 0.00 0.00 43.02 38.44 1hda s PHE 122 CO 0.67 -1.52 1.08 0.95 -1.46 0.00 0.00 175.22 174.94 1hda s THR 123 N 2.44 3.54 0.36 0.12 -4.23 -1.25 -4.78 115.64 111.84 1hda s THR 123 Ca 0.45 0.50 0.08 0.00 -1.18 0.00 0.00 61.69 61.54 1hda s THR 123 Cb -0.01 -3.10 0.32 0.00 1.34 0.00 0.00 72.50 71.04 1hda s THR 123 CO 0.01 -0.65 1.89 -0.65 -0.54 0.00 0.00 174.62 174.68 1hda h PRO 124 N -0.99 0.68 -0.29 3.99 0.11 -1.93 0.46 132.00 134.02 1hda h PRO 124 Ca -0.44 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1hda h PRO 124 Cb 1.23 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1hda h PRO 124 CO 0.54 0.45 -0.28 0.28 -0.21 0.00 0.00 178.00 178.78 1hda h VAL 125 N 0.70 1.30 -0.35 3.15 2.07 -1.99 -1.42 116.25 119.72 1hda h VAL 125 Ca 0.41 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1hda h VAL 125 Cb 0.62 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1hda h VAL 125 CO -0.18 0.46 0.13 0.25 0.02 0.00 0.00 177.57 178.26 1hda h LEU 126 N 0.44 0.48 -0.70 2.57 5.85 -1.60 -2.21 115.31 120.14 1hda h LEU 126 Ca 0.05 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1hda h LEU 126 Cb 0.85 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1hda h LEU 126 CO 0.07 0.52 0.43 -0.61 -0.34 0.00 0.00 178.44 178.51 1hda h GLN 127 N 0.41 0.79 -0.60 1.25 4.15 -0.04 -1.88 115.11 119.19 1hda h GLN 127 Ca 0.12 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1hda h GLN 127 Cb 0.20 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 1hda h GLN 127 CO -0.01 0.52 0.33 0.00 -1.93 0.00 0.00 178.83 177.75 1hda h ALA 128 N 1.32 0.79 -0.65 3.38 0.00 -0.90 -0.41 119.26 122.79 1hda h ALA 128 Ca 0.29 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1hda h ALA 128 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1hda h ALA 128 CO -0.13 0.01 0.43 -0.44 0.00 0.00 0.00 179.25 179.12 1hda h ASP 129 N 0.63 0.74 0.24 0.00 3.32 -0.78 -2.63 116.42 117.93 1hda h ASP 129 Ca 0.26 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 1hda h ASP 129 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1hda h ASP 129 CO -0.16 0.54 -0.43 -0.26 -1.72 0.00 0.00 179.24 177.20 1hda h PHE 130 N 0.87 0.30 -0.73 4.55 0.04 -0.72 -2.48 116.94 118.78 1hda h PHE 130 Ca 0.24 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1hda h PHE 130 Cb -0.10 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 1hda h PHE 130 CO -0.03 0.65 0.46 1.96 -0.60 0.00 0.00 178.31 180.75 1hda h GLN 131 N 0.21 0.98 -0.53 1.51 1.08 -0.86 0.30 115.11 117.79 1hda h GLN 131 Ca 0.02 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 1hda h GLN 131 Cb 0.86 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1hda h GLN 131 CO 0.07 0.68 -0.01 0.87 -0.95 0.00 0.00 178.83 179.49 1hda h LYS 132 N 0.99 0.91 0.16 1.46 1.57 -1.24 -1.73 116.57 118.69 1hda h LYS 132 Ca 0.26 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1hda h LYS 132 Cb -0.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1hda h LYS 132 CO -0.05 0.91 -0.08 0.28 -0.57 0.00 0.00 179.45 179.94 1hda h VAL 133 N 0.84 0.97 -0.55 0.50 2.07 -0.86 -1.06 116.25 118.15 1hda h VAL 133 Ca 0.16 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1hda h VAL 133 Cb 0.51 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1hda h VAL 133 CO 0.03 0.18 0.35 -0.37 0.02 0.00 0.00 177.57 177.78 1hda h VAL 134 N -0.61 1.15 -0.46 2.57 -1.51 -0.46 0.32 116.25 117.25 1hda h VAL 134 Ca -0.02 -0.30 -0.11 0.00 -1.23 0.00 0.00 66.70 65.05 1hda h VAL 134 Cb 0.46 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 1hda h VAL 134 CO 0.04 0.15 -0.13 0.00 -1.23 0.00 0.00 177.57 176.39 1hda h ALA 135 N 1.64 0.63 -0.39 5.19 0.00 -1.27 -0.62 119.26 124.43 1hda h ALA 135 Ca 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1hda h ALA 135 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1hda h ALA 135 CO -0.04 0.55 0.20 0.78 0.00 0.00 0.00 179.25 180.73 1hda h GLY 136 N 0.73 0.60 0.97 0.00 0.00 0.19 -1.80 103.07 103.76 1hda h GLY 136 Ca 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1hda h GLY 136 CO 0.05 0.28 0.10 -2.08 0.00 0.00 0.00 176.54 174.88 1hda h VAL 137 N 0.50 1.24 -0.78 4.60 2.07 -0.21 -1.61 116.25 122.06 1hda h VAL 137 Ca 0.14 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1hda h VAL 137 Cb 0.10 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1hda h VAL 137 CO -0.02 0.31 0.49 0.00 0.02 0.00 0.00 177.57 178.37 1hda h ALA 138 N 0.97 1.02 -0.40 1.67 0.00 -0.98 -0.92 119.26 120.62 1hda h ALA 138 Ca 0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1hda h ALA 138 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1hda h ALA 138 CO 0.01 0.30 -0.21 -0.91 0.00 0.00 0.00 179.25 178.43 1hda h ASN 139 N 0.96 0.80 -0.19 0.00 4.21 -1.22 -2.09 115.58 118.05 1hda h ASN 139 Ca 0.31 -0.29 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 1hda h ASN 139 Cb 0.02 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 1hda h ASN 139 CO -0.11 1.00 0.01 0.00 -1.29 0.00 0.00 177.43 177.03 1hda h ALA 140 N 1.06 0.25 0.00 -0.83 0.00 -0.83 -2.05 119.26 116.87 1hda h ALA 140 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1hda h ALA 140 Cb 0.73 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1hda h ALA 140 CO 0.06 -0.04 -0.11 -0.07 0.00 0.00 0.00 179.25 179.08 1hda h LEU 141 N 0.09 0.00 0.00 0.00 3.38 -1.11 -2.86 115.31 114.82 1hda h LEU 141 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hda h LEU 141 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1hda h LEU 141 CO 0.01 0.11 -0.80 0.00 0.09 0.00 0.00 178.44 177.85 1hda h ALA 142 N 1.89 0.60 -0.64 1.53 0.00 -1.23 -3.40 119.26 118.02 1hda h ALA 142 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1hda h ALA 142 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1hda h ALA 142 CO 0.01 0.02 0.24 1.25 0.00 0.00 0.00 179.25 180.77 1hda h HIS 143 N 0.00 0.41 -0.27 0.00 6.17 -1.13 -2.68 115.15 117.65 1hda h HIS 143 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1hda h HIS 143 Cb 1.01 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.86 1hda h HIS 143 CO 0.00 0.09 0.00 0.54 0.71 0.00 0.00 177.93 179.27 1hda n ARG 144 N -5.00 2.19 -2.54 5.26 5.12 -1.26 -4.92 116.66 115.51 1hda n ARG 144 Ca 0.10 -1.21 -0.36 0.00 -1.93 0.00 0.00 57.85 54.45 1hda n ARG 144 Cb 0.30 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.01 1hda n ARG 144 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1hda s TYR 145 N -1.66 3.19 0.00 -1.55 1.51 -1.01 -4.71 117.35 113.11 1hda s TYR 145 Ca 0.22 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 57.90 1hda s TYR 145 Cb 0.14 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.88 1hda s TYR 145 CO 0.10 -0.69 0.00 -2.39 -1.11 0.00 0.00 175.55 171.46