#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 4.19 0.60 4.03 1.43 -1.26 -5.08 118.68 122.59 1hda s LEU 3 Ca 0.00 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.25 1hda s LEU 3 Cb 0.00 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1hda s LEU 3 CO 0.00 -0.08 0.95 0.42 0.23 0.00 0.00 176.35 177.87 1hda s THR 4 N -1.76 4.16 0.35 5.49 -4.23 -1.26 -4.85 115.64 113.54 1hda s THR 4 Ca 0.48 0.36 0.11 0.00 -1.18 0.00 0.00 61.69 61.46 1hda s THR 4 Cb -0.13 -3.65 0.33 0.00 1.34 0.00 0.00 72.50 70.39 1hda s THR 4 CO 0.19 -0.76 1.81 0.00 -0.54 0.00 0.00 174.62 175.33 1hda h ALA 5 N -0.22 1.89 -0.37 3.99 0.00 -1.99 0.11 119.26 122.67 1hda h ALA 5 Ca -0.45 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1hda h ALA 5 Cb 1.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1hda h ALA 5 CO 0.62 -0.22 -0.26 1.49 0.00 0.00 0.00 179.25 180.87 1hda h GLU 6 N 0.63 0.83 -0.54 0.00 4.81 -1.99 -0.49 114.58 117.84 1hda h GLU 6 Ca 0.53 -0.40 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1hda h GLU 6 Cb 1.00 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1hda h GLU 6 CO -0.29 1.04 -0.05 0.93 -0.73 0.00 0.00 179.01 179.91 1hda h GLU 7 N 0.63 0.99 0.12 1.92 5.08 -1.54 0.11 114.58 121.89 1hda h GLU 7 Ca 0.07 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1hda h GLU 7 Cb 0.83 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1hda h GLU 7 CO 0.07 1.02 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.82 1hda h LYS 8 N 0.87 -0.15 -0.22 2.33 3.64 -0.80 0.23 116.57 122.47 1hda h LYS 8 Ca 0.15 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1hda h LYS 8 Cb 0.61 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1hda h LYS 8 CO 0.04 -0.09 0.11 0.00 -2.27 0.00 0.00 179.45 177.23 1hda h ALA 9 N 0.72 0.26 -0.51 5.00 0.00 -0.93 0.26 119.26 124.07 1hda h ALA 9 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1hda h ALA 9 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1hda h ALA 9 CO 0.03 -0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.16 1hda h ALA 10 N 1.11 1.37 0.08 0.00 0.00 -0.52 -1.50 119.26 119.81 1hda h ALA 10 Ca 0.09 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1hda h ALA 10 Cb 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1hda h ALA 10 CO -0.06 0.47 -1.17 0.28 0.00 0.00 0.00 179.25 178.76 1hda h VAL 11 N 0.72 1.32 -0.39 0.00 2.07 -0.54 -2.74 116.25 116.69 1hda h VAL 11 Ca 0.17 -2.48 -0.04 0.00 0.82 0.00 0.00 66.70 65.17 1hda h VAL 11 Cb 0.18 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1hda h VAL 11 CO -0.01 0.75 0.09 0.74 0.02 0.00 0.00 177.57 179.16 1hda h THR 12 N 0.27 1.23 -0.70 2.57 2.02 -0.34 -0.25 112.91 117.72 1hda h THR 12 Ca -0.16 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 1hda h THR 12 Cb 1.83 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 1hda h THR 12 CO 0.22 0.27 0.16 0.00 0.37 0.00 0.00 175.52 176.54 1hda h ALA 13 N 0.94 0.96 -0.18 6.16 0.00 -1.35 -2.90 119.26 122.89 1hda h ALA 13 Ca 0.12 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1hda h ALA 13 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hda h ALA 13 CO 0.00 0.67 -0.65 0.35 0.00 0.00 0.00 179.25 179.62 1hda h PHE 14 N 1.06 0.89 -0.67 0.00 3.57 -1.36 -3.23 116.94 117.20 1hda h PHE 14 Ca 0.22 -0.35 0.08 0.00 3.53 0.00 0.00 57.97 61.45 1hda h PHE 14 Cb 0.39 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1hda h PHE 14 CO 0.03 1.15 0.44 2.35 -2.23 0.00 0.00 178.31 180.05 1hda h TRP 15 N 0.50 0.61 0.00 0.41 2.91 -0.86 -2.29 115.95 117.23 1hda h TRP 15 Ca -0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1hda h TRP 15 Cb 1.24 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.70 1hda h TRP 15 CO 0.06 0.30 0.00 0.41 -1.03 0.00 0.00 178.44 178.19 1hda n GLY 16 N -1.48 0.16 0.00 2.65 0.00 -1.11 -1.41 105.19 104.00 1hda n GLY 16 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.09 4.57 -2.73 1.61 5.02 -0.86 -5.03 118.16 120.83 1hda n LYS 17 Ca 0.00 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1hda n LYS 17 Cb 0.04 -0.34 -0.04 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.65 4.63 -1.24 -0.18 1.01 -0.50 -4.95 120.40 118.52 1hda s VAL 18 Ca 0.00 2.06 -0.12 0.00 0.00 0.00 0.00 61.98 63.92 1hda s VAL 18 Cb 0.00 -4.32 0.17 0.00 0.00 0.00 0.00 36.38 32.23 1hda s VAL 18 CO 0.00 0.27 1.64 0.29 0.00 0.00 0.00 175.10 177.30 1hda n LYS 19 N 3.15 3.48 -0.28 2.72 5.02 -1.26 -4.91 118.16 126.07 1hda n LYS 19 Ca 0.03 -3.70 0.08 0.00 -2.02 0.00 0.00 58.31 52.71 1hda n LYS 19 Cb 0.50 -3.00 0.17 0.00 -0.02 0.00 0.00 35.03 32.68 1hda n LYS 19 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hda n VAL 20 N 4.07 -0.34 0.27 -0.18 0.31 -1.26 -1.98 118.33 119.22 1hda n VAL 20 Ca 0.38 1.81 -0.16 0.00 -0.01 0.00 0.00 64.34 66.36 1hda n VAL 20 Cb 0.40 -2.56 -0.08 0.00 -0.91 0.00 0.00 33.84 30.68 1hda n VAL 20 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1hda h ASP 21 N 0.00 -0.55 -0.17 4.52 2.03 -1.91 -0.51 116.42 119.84 1hda h ASP 21 Ca 0.43 -0.02 0.02 0.00 -0.73 0.00 0.00 57.03 56.74 1hda h ASP 21 Cb 0.77 0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.39 1hda h ASP 21 CO -0.80 -0.33 0.01 -0.08 -1.03 0.00 0.00 179.24 177.01 1hda h GLU 22 N -0.73 0.07 -0.50 4.15 4.81 -1.81 -2.10 114.58 118.47 1hda h GLU 22 Ca -0.07 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1hda h GLU 22 Cb 0.54 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1hda h GLU 22 CO 0.11 0.05 0.12 0.28 -0.73 0.00 0.00 179.01 178.83 1hda h VAL 23 N 0.07 1.24 -0.09 0.32 2.07 -1.47 -2.48 116.25 115.90 1hda h VAL 23 Ca 0.08 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1hda h VAL 23 Cb 0.08 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1hda h VAL 23 CO -0.12 0.31 0.05 1.23 0.02 0.00 0.00 177.57 179.06 1hda h GLY 24 N 0.69 0.13 1.44 2.17 0.00 -0.96 0.58 103.07 107.11 1hda h GLY 24 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1hda h GLY 24 CO 0.00 0.04 -0.11 -1.33 0.00 0.00 0.00 176.54 175.14 1hda h GLY 25 N 0.11 0.72 0.63 4.60 0.00 -1.36 -1.59 103.07 106.17 1hda h GLY 25 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1hda h GLY 25 CO -0.02 0.48 -0.01 -2.09 0.00 0.00 0.00 176.54 174.91 1hda h GLU 26 N 0.61 0.04 0.06 4.80 4.81 -1.18 -0.74 114.58 122.98 1hda h GLU 26 Ca 0.11 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1hda h GLU 26 Cb 0.55 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1hda h GLU 26 CO 0.03 0.42 -0.19 0.00 -0.73 0.00 0.00 179.01 178.54 1hda h ALA 27 N 0.62 -0.29 -0.75 2.92 0.00 -0.80 0.41 119.26 121.36 1hda h ALA 27 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1hda h ALA 27 Cb 0.41 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1hda h ALA 27 CO 0.00 -0.71 0.35 1.25 0.00 0.00 0.00 179.25 180.15 1hda h LEU 28 N -0.35 0.97 -0.20 0.00 5.85 -1.34 -1.51 115.31 118.73 1hda h LEU 28 Ca 0.04 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1hda h LEU 28 Cb 0.39 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1hda h LEU 28 CO -0.14 0.83 0.04 1.23 -0.34 0.00 0.00 178.44 180.06 1hda h GLY 29 N 1.11 0.36 1.28 3.75 0.00 -0.58 -2.39 103.07 106.60 1hda h GLY 29 Ca 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1hda h GLY 29 CO -0.03 0.22 0.21 3.21 0.00 0.00 0.00 176.54 180.14 1hda h ARG 30 N 0.14 0.91 -0.61 4.80 3.08 0.07 -2.15 114.38 120.62 1hda h ARG 30 Ca 0.06 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1hda h ARG 30 Cb 0.30 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1hda h ARG 30 CO 0.00 0.77 0.36 1.25 -1.07 0.00 0.00 179.97 181.28 1hda h LEU 31 N 0.89 0.56 -0.96 3.04 5.85 -1.16 0.43 115.31 123.96 1hda h LEU 31 Ca 0.20 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1hda h LEU 31 Cb 0.23 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1hda h LEU 31 CO -0.01 0.38 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.04 1hda h LEU 32 N 0.69 0.00 0.00 2.25 3.38 -0.99 -1.87 115.31 118.77 1hda h LEU 32 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1hda h LEU 32 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1hda h LEU 32 CO -0.13 0.36 -0.65 0.58 0.09 0.00 0.00 178.44 178.69 1hda h VAL 33 N 0.00 1.32 -0.30 1.22 2.07 -0.77 -3.30 116.25 116.49 1hda h VAL 33 Ca -0.00 -2.24 -0.16 0.00 0.82 0.00 0.00 66.70 65.12 1hda h VAL 33 Cb 0.88 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 1hda h VAL 33 CO 0.05 0.45 -0.44 0.58 0.02 0.00 0.00 177.57 178.22 1hda h VAL 34 N -1.00 1.29 -2.70 2.57 2.07 -0.23 -3.36 116.25 114.90 1hda h VAL 34 Ca -0.18 -1.63 -0.61 0.00 0.82 0.00 0.00 66.70 65.10 1hda h VAL 34 Cb 1.14 1.53 -0.41 0.00 -1.52 0.00 0.00 31.29 32.03 1hda h VAL 34 CO -0.11 0.53 -0.66 -1.22 0.02 0.00 0.00 177.57 176.13 1hda n TYR 35 N -4.02 2.61 0.26 1.57 4.01 -0.70 -4.98 117.16 115.90 1hda n TYR 35 Ca -0.03 -4.10 0.18 0.00 -0.16 0.00 0.00 57.90 53.79 1hda n TYR 35 Cb 0.56 -0.48 0.88 0.00 -0.31 0.00 0.00 39.34 40.00 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 5.02 0.00 0.00 -0.72 0.13 -1.72 -1.69 132.00 133.03 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 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1hda h PRO 36 CO 0.69 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.57 1hda h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.85 115.95 113.84 1hda h TRP 37 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.03 1hda h TRP 37 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.81 1hda h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1hda h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.62 -2.51 112.91 110.25 1hda h THR 38 Ca 0.00 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1hda h THR 38 Cb 0.36 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1hda h THR 38 CO 0.00 0.00 -0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1hda h GLN 39 N 0.00 0.00 -1.00 4.72 4.20 -1.53 -3.12 115.11 118.37 1hda h GLN 39 Ca 0.00 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.97 1hda h GLN 39 Cb 0.40 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.11 1hda h GLN 39 CO 0.00 0.00 0.67 0.07 -0.67 0.00 0.00 178.83 178.90 1hda h ARG 40 N 0.00 0.32 -0.01 1.46 0.11 -1.65 -1.11 114.38 113.50 1hda h ARG 40 Ca -0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1hda h ARG 40 Cb 0.06 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1hda h ARG 40 CO 0.00 0.21 -0.23 1.19 0.10 0.00 0.00 179.97 181.24 1hda n PHE 41 N -4.52 0.00 -2.12 4.08 3.72 -1.18 -4.37 117.46 113.08 1hda n PHE 41 Ca 0.23 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.43 1hda n PHE 41 Cb 0.87 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 39.26 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 -0.89 2.51 -0.26 1.38 3.72 -0.42 -4.81 117.46 118.69 1hda n PHE 42 Ca 0.12 -2.19 -0.05 0.00 -0.05 0.00 0.00 57.45 55.27 1hda n PHE 42 Cb 0.32 -0.32 0.06 0.00 -0.94 0.00 0.00 39.48 38.59 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 2.21 0.98 0.00 -1.08 4.39 -1.76 -2.38 114.58 116.94 1hda h GLU 43 Ca 0.30 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1hda h GLU 43 Cb 1.50 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1hda h GLU 43 CO 0.67 0.71 0.00 0.66 -1.16 0.00 0.00 179.01 179.89 1hda h SER 44 N 0.98 0.00 0.46 1.42 4.64 -1.94 -2.72 113.55 116.39 1hda h SER 44 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1hda h SER 44 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1hda h SER 44 CO -0.05 0.00 -0.06 -0.26 -0.87 0.00 0.00 176.83 175.60 1hda h PHE 45 N 0.00 0.00 0.00 4.77 -1.00 -1.80 -3.49 116.94 115.42 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 0.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1hda h PHE 45 CO 0.00 0.06 0.00 0.41 -1.61 0.00 0.00 178.31 177.17 1hda n GLY 46 N -0.57 0.33 3.68 -1.45 0.00 -1.03 -4.75 105.19 101.40 1hda n GLY 46 Ca -0.01 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 7.17 -0.00 1.61 2.15 -1.26 -4.89 116.67 117.44 1hda s ASP 47 Ca 0.00 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.43 1hda s ASP 47 Cb 0.00 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1hda s ASP 47 CO 0.00 -0.45 0.65 0.18 -0.17 0.00 0.00 175.17 175.39 1hda n LEU 48 N 5.12 0.42 -0.08 -1.34 4.32 -1.26 -4.20 117.00 119.97 1hda n LEU 48 Ca 0.08 -0.53 0.12 0.00 -0.02 0.00 0.00 56.01 55.67 1hda n LEU 48 Cb 0.49 -0.01 0.51 0.00 -1.62 0.00 0.00 43.42 42.79 1hda n LEU 48 CO 0.51 0.13 1.19 0.77 -1.22 0.00 0.00 177.39 178.77 1hda h SER 49 N 0.00 0.35 -3.56 -1.43 4.64 -1.95 -3.44 113.55 108.16 1hda h SER 49 Ca 0.00 0.01 -0.42 0.00 -0.47 0.00 0.00 61.79 60.91 1hda h SER 49 Cb 0.95 -0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 62.83 1hda h SER 49 CO 0.00 0.21 -0.65 0.42 -0.87 0.00 0.00 176.83 175.94 1hda s THR 50 N -5.37 1.19 0.39 2.95 -4.23 -1.26 -5.03 115.64 104.27 1hda s THR 50 Ca -0.08 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1hda s THR 50 Cb 0.20 -2.45 0.29 0.00 1.34 0.00 0.00 72.50 71.87 1hda s THR 50 CO 0.75 -0.26 2.00 0.00 -0.54 0.00 0.00 174.62 176.58 1hda h ALA 51 N 2.36 1.74 -0.10 3.99 0.00 -1.98 -2.19 119.26 123.08 1hda h ALA 51 Ca -0.39 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1hda h ALA 51 Cb 1.23 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1hda h ALA 51 CO 0.66 0.18 -0.55 -0.44 0.00 0.00 0.00 179.25 179.10 1hda h ASP 52 N 0.64 0.66 -0.18 0.00 3.32 -1.96 -1.64 116.42 117.26 1hda h ASP 52 Ca 0.24 -0.65 0.01 0.00 0.02 0.00 0.00 57.03 56.66 1hda h ASP 52 Cb 0.15 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1hda h ASP 52 CO -0.07 1.20 0.07 0.00 -1.72 0.00 0.00 179.24 178.73 1hda h ALA 53 N 0.47 0.21 0.16 3.45 0.00 -1.80 -0.55 119.26 121.19 1hda h ALA 53 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hda h ALA 53 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hda h ALA 53 CO 0.11 -0.35 -0.08 0.28 0.00 0.00 0.00 179.25 179.21 1hda h VAL 54 N 0.17 0.86 -0.80 0.00 2.07 -1.46 -0.35 116.25 116.74 1hda h VAL 54 Ca 0.08 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1hda h VAL 54 Cb 0.03 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1hda h VAL 54 CO -0.07 0.02 0.31 0.24 0.02 0.00 0.00 177.57 178.09 1hda h MET 55 N -0.26 1.19 -0.00 1.57 2.07 -1.10 -2.90 114.93 115.50 1hda h MET 55 Ca -0.02 -0.22 0.00 0.00 -2.07 0.00 0.00 59.70 57.39 1hda h MET 55 Cb 0.20 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 1hda h MET 55 CO 0.04 0.97 -0.37 0.09 1.07 0.00 0.00 176.91 178.70 1hda n ASN 56 N -4.27 0.38 -4.63 1.22 3.02 -0.23 -4.87 115.26 105.88 1hda n ASN 56 Ca 0.07 -0.07 -0.47 0.00 -0.03 0.00 0.00 54.58 54.08 1hda n ASN 56 Cb 0.19 0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1hda n ASN 56 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1hda n ASN 57 N -1.49 3.33 0.29 6.41 2.85 -0.15 -4.85 115.26 121.66 1hda n ASN 57 Ca 0.06 0.72 0.16 0.00 -0.11 0.00 0.00 54.58 55.41 1hda n ASN 57 Cb 0.34 -1.42 0.89 0.00 1.24 0.00 0.00 39.78 40.83 1hda n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1hda h PRO 58 N 11.08 0.00 0.18 1.20 0.13 -1.89 -2.16 132.00 140.54 1hda h PRO 58 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 1hda h PRO 58 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 1hda h PRO 58 CO 0.96 0.04 -1.38 0.87 -0.23 0.00 0.00 178.00 178.26 1hda h LYS 59 N 0.00 0.39 -0.32 0.86 1.57 -1.88 -2.03 116.57 115.16 1hda h LYS 59 Ca -0.00 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1hda h LYS 59 Cb 0.15 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1hda h LYS 59 CO 0.01 1.31 0.21 0.28 -0.57 0.00 0.00 179.45 180.68 1hda h VAL 60 N 0.11 1.09 -0.28 0.50 2.07 -1.74 0.15 116.25 118.15 1hda h VAL 60 Ca -0.20 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1hda h VAL 60 Cb 2.06 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1hda h VAL 60 CO 0.23 0.08 0.17 0.11 0.02 0.00 0.00 177.57 178.19 1hda h LYS 61 N 0.43 0.35 -0.42 1.57 1.57 -1.49 0.59 116.57 119.17 1hda h LYS 61 Ca 0.12 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1hda h LYS 61 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1hda h LYS 61 CO -0.02 0.23 0.11 0.00 -0.57 0.00 0.00 179.45 179.19 1hda h ALA 62 N 1.11 0.55 -0.53 3.86 0.00 -0.94 -2.50 119.26 120.82 1hda h ALA 62 Ca 0.11 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1hda h ALA 62 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1hda h ALA 62 CO -0.04 0.23 -0.08 1.25 0.00 0.00 0.00 179.25 180.61 1hda h HIS 63 N 0.54 1.07 -0.66 0.00 -0.00 -0.51 -2.29 115.15 113.29 1hda h HIS 63 Ca 0.13 -0.20 0.08 0.00 -0.00 0.00 0.00 60.37 60.38 1hda h HIS 63 Cb 0.31 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 1hda h HIS 63 CO 0.02 0.99 0.33 0.78 -0.00 0.00 0.00 177.93 180.05 1hda h GLY 64 N 0.97 0.98 0.85 5.26 0.00 0.36 0.07 103.07 111.55 1hda h GLY 64 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1hda h GLY 64 CO 0.04 0.08 0.04 1.70 0.00 0.00 0.00 176.54 178.40 1hda h LYS 65 N 0.59 0.29 -0.21 4.80 3.64 -1.31 -1.67 116.57 122.69 1hda h LYS 65 Ca 0.32 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1hda h LYS 65 Cb 0.30 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1hda h LYS 65 CO -0.24 0.42 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.07 1hda h LYS 66 N 0.10 -0.03 -0.71 1.90 3.64 -0.92 0.22 116.57 120.78 1hda h LYS 66 Ca 0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1hda h LYS 66 Cb 0.27 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1hda h LYS 66 CO 0.00 -0.02 0.41 0.28 -2.27 0.00 0.00 179.45 177.86 1hda h VAL 67 N -0.03 1.21 0.00 2.00 2.07 -0.92 -2.66 116.25 117.92 1hda h VAL 67 Ca 0.11 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1hda h VAL 67 Cb 0.19 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1hda h VAL 67 CO -0.23 0.22 -0.43 0.25 0.02 0.00 0.00 177.57 177.39 1hda h LEU 68 N 0.96 0.00 -0.39 2.57 7.12 -0.41 -0.97 115.31 124.19 1hda h LEU 68 Ca 0.25 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 58.17 1hda h LEU 68 Cb -0.01 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 1hda h LEU 68 CO -0.05 0.43 -0.09 0.44 -0.13 0.00 0.00 178.44 179.04 1hda h ASP 69 N 0.00 0.76 -0.55 1.25 3.32 -0.43 -0.07 116.42 120.71 1hda h ASP 69 Ca -0.00 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 1hda h ASP 69 Cb 0.82 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1hda h ASP 69 CO 0.06 0.95 0.26 -1.28 -1.72 0.00 0.00 179.24 177.51 1hda h SER 70 N 0.57 0.72 -0.10 6.45 0.87 -1.12 -0.51 113.55 120.42 1hda h SER 70 Ca 0.10 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1hda h SER 70 Cb 0.61 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1hda h SER 70 CO 0.04 0.65 -0.13 0.15 -0.53 0.00 0.00 176.83 177.01 1hda h PHE 71 N 0.74 -0.33 -0.93 2.24 3.04 -0.89 -1.04 116.94 119.77 1hda h PHE 71 Ca 0.19 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.29 1hda h PHE 71 Cb 0.12 0.16 -0.08 0.00 2.56 0.00 0.00 35.95 38.72 1hda h PHE 71 CO -0.00 -0.19 0.59 0.77 -2.02 0.00 0.00 178.31 177.45 1hda h SER 72 N -0.17 0.75 -0.95 0.41 0.02 -0.55 0.17 113.55 113.24 1hda h SER 72 Ca 0.08 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1hda h SER 72 Cb 0.29 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1hda h SER 72 CO -0.20 0.39 0.57 -1.13 -1.14 0.00 0.00 176.83 175.31 1hda h ASN 73 N 0.80 1.14 -0.66 3.07 -0.73 0.13 -2.01 115.58 117.30 1hda h ASN 73 Ca 0.46 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.54 1hda h ASN 73 Cb 0.64 -0.29 -0.03 0.00 0.27 0.00 0.00 38.32 38.91 1hda h ASN 73 CO -0.23 0.87 0.33 1.23 -0.37 0.00 0.00 177.43 179.26 1hda h GLY 74 N 1.31 1.05 1.98 1.57 0.00 0.32 -2.54 103.07 106.75 1hda h GLY 74 Ca 0.34 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1hda h GLY 74 CO -0.06 0.48 0.01 -0.33 0.00 0.00 0.00 176.54 176.63 1hda h MET 75 N 0.97 0.00 0.00 4.80 2.86 -0.76 -0.26 114.93 122.53 1hda h MET 75 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1hda h MET 75 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1hda h MET 75 CO -0.03 0.00 -0.48 1.63 1.06 0.00 0.00 176.91 179.09 1hda n LYS 76 N -3.68 0.13 -2.42 1.72 4.01 -0.96 -4.17 118.16 112.78 1hda n LYS 76 Ca -0.03 0.04 -0.18 0.00 -0.51 0.00 0.00 58.31 57.63 1hda n LYS 76 Cb 0.09 -1.59 0.02 0.00 -0.51 0.00 0.00 35.03 33.04 1hda n LYS 76 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1hda n HIS 77 N -1.79 2.43 0.25 2.13 8.25 -0.12 -4.91 115.22 121.46 1hda n HIS 77 Ca 0.05 -2.60 0.18 0.00 -0.26 0.00 0.00 57.72 55.09 1hda n HIS 77 Cb 0.38 -0.24 0.88 0.00 1.12 0.00 0.00 29.99 32.13 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 2.53 0.00 0.00 2.41 3.38 -1.69 -0.43 115.31 121.51 1hda h LEU 78 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1hda h LEU 78 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1hda h LEU 78 CO 0.64 0.00 -0.03 -2.24 0.09 0.00 0.00 178.44 176.91 1hda h ASP 79 N 0.00 0.00 -0.93 -0.43 2.03 -1.91 -3.39 116.42 111.79 1hda h ASP 79 Ca 0.06 -0.01 -0.36 0.00 -0.73 0.00 0.00 57.03 56.00 1hda h ASP 79 Cb 0.53 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 38.78 1hda h ASP 79 CO -0.00 0.00 -0.74 -0.67 -1.03 0.00 0.00 179.24 176.80 1hda n ASP 80 N -2.41 -1.70 -0.12 4.15 2.03 -0.17 -4.95 116.55 113.38 1hda n ASP 80 Ca 0.05 -3.01 -0.10 0.00 0.52 0.00 0.00 54.79 52.25 1hda n ASP 80 Cb 0.45 0.80 0.03 0.00 -0.72 0.00 0.00 41.12 41.68 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 4.16 0.93 -0.47 -2.67 3.38 -1.75 -2.46 115.31 116.43 1hda h LEU 81 Ca -0.03 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1hda h LEU 81 Cb 0.97 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1hda h LEU 81 CO 0.36 1.14 0.28 0.11 0.09 0.00 0.00 178.44 180.41 1hda h LYS 82 N 0.77 0.53 -0.20 1.13 1.57 -1.91 -0.61 116.57 117.86 1hda h LYS 82 Ca 0.09 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1hda h LYS 82 Cb 0.83 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1hda h LYS 82 CO 0.07 0.35 -0.14 0.78 -0.57 0.00 0.00 179.45 179.94 1hda h GLY 83 N 0.55 0.48 0.97 3.86 0.00 -1.95 -0.31 103.07 106.68 1hda h GLY 83 Ca 0.19 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1hda h GLY 83 CO -0.10 0.42 0.33 -0.84 0.00 0.00 0.00 176.54 176.36 1hda h THR 84 N 0.12 1.11 -0.08 4.70 2.02 -1.22 -3.18 112.91 116.38 1hda h THR 84 Ca 0.04 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1hda h THR 84 Cb 0.66 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1hda h THR 84 CO 0.04 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.54 1hda n PHE 85 N -4.75 0.07 -0.19 3.16 3.72 -0.26 -4.62 117.46 114.60 1hda n PHE 85 Ca 0.03 -0.03 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1hda n PHE 85 Cb 0.03 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.62 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 4.65 0.36 -0.35 4.37 0.00 -1.03 0.15 119.26 127.42 1hda h ALA 86 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1hda h ALA 86 Cb 0.95 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1hda h ALA 86 CO 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 179.25 178.66 1hda h ALA 87 N 1.54 1.10 -0.18 0.00 0.00 -1.82 -2.46 119.26 117.45 1hda h ALA 87 Ca 0.28 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1hda h ALA 87 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1hda h ALA 87 CO -0.61 0.56 -0.39 -0.07 0.00 0.00 0.00 179.25 178.74 1hda h LEU 88 N 0.56 0.43 0.36 0.00 3.38 -1.53 -1.01 115.31 117.49 1hda h LEU 88 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1hda h LEU 88 Cb 0.57 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1hda h LEU 88 CO 0.04 0.78 -0.31 -1.28 0.09 0.00 0.00 178.44 177.76 1hda h SER 89 N 0.34 -0.82 -0.40 -0.43 0.87 -0.46 -0.25 113.55 112.41 1hda h SER 89 Ca 0.03 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1hda h SER 89 Cb 0.84 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 63.01 1hda h SER 89 CO 0.07 -0.45 0.08 -0.33 -0.53 0.00 0.00 176.83 175.66 1hda h GLU 90 N -0.68 0.20 -0.68 2.24 5.08 -1.34 -1.62 114.58 117.78 1hda h GLU 90 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1hda h GLU 90 Cb 0.60 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1hda h GLU 90 CO -0.03 0.13 0.38 1.25 -1.00 0.00 0.00 179.01 179.74 1hda h LEU 91 N 0.20 0.84 -1.17 1.33 5.85 -0.98 0.26 115.31 121.65 1hda h LEU 91 Ca 0.19 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1hda h LEU 91 Cb 0.23 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1hda h LEU 91 CO -0.26 0.69 -0.34 0.45 -0.34 0.00 0.00 178.44 178.64 1hda h HIS 92 N 0.93 0.15 0.04 1.25 3.86 -0.56 -0.93 115.15 119.90 1hda h HIS 92 Ca 0.24 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1hda h HIS 92 Cb 0.02 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1hda h HIS 92 CO -0.01 0.46 -0.02 0.00 0.86 0.00 0.00 177.93 179.22 1hda h ASP 94 N -0.72 0.63 0.03 0.00 3.32 -0.58 -3.02 116.42 116.08 1hda h ASP 94 Ca -0.01 -0.45 -0.38 0.00 0.02 0.00 0.00 57.03 56.21 1hda h ASP 94 Cb 0.05 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 1hda h ASP 94 CO 0.01 0.94 -2.37 0.29 -1.72 0.00 0.00 179.24 176.39 1hda n LYS 95 N -4.38 0.67 0.04 3.56 4.01 -0.42 -4.64 118.16 117.00 1hda n LYS 95 Ca -0.04 0.15 -0.01 0.00 -0.51 0.00 0.00 58.31 57.90 1hda n LYS 95 Cb 0.41 -1.56 -0.08 0.00 -0.51 0.00 0.00 35.03 33.29 1hda n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1hda h LEU 96 N 0.01 0.00 -1.12 -0.35 3.38 -1.41 -3.49 115.31 112.33 1hda h LEU 96 Ca -0.54 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.03 1hda h LEU 96 Cb 1.97 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.83 1hda h LEU 96 CO -0.04 0.65 -0.72 1.41 0.09 0.00 0.00 178.44 179.82 1hda n HIS 97 N -2.97 -2.57 -3.05 1.13 8.25 0.32 -4.96 115.22 111.38 1hda n HIS 97 Ca -0.09 0.97 -0.41 0.00 -0.26 0.00 0.00 57.72 57.93 1hda n HIS 97 Cb 0.86 -4.83 -0.06 0.00 1.12 0.00 0.00 29.99 27.08 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 -3.35 4.88 0.07 1.59 1.01 -0.60 -5.02 120.40 118.97 1hda s VAL 98 Ca 0.43 0.97 -0.31 0.00 0.00 0.00 0.00 61.98 63.07 1hda s VAL 98 Cb -0.19 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1hda s VAL 98 CO 0.75 -0.20 1.89 -0.67 0.00 0.00 0.00 175.10 176.87 1hda n ASP 99 N 6.02 3.99 0.21 3.32 -0.08 -1.26 -4.75 116.55 124.01 1hda n ASP 99 Ca 0.01 0.96 0.18 0.00 -1.51 0.00 0.00 54.79 54.42 1hda n ASP 99 Cb 0.49 -1.51 0.84 0.00 2.34 0.00 0.00 41.12 43.27 1hda n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1hda h PRO 100 N 9.29 0.00 -0.69 -0.67 0.11 -1.97 -1.05 132.00 137.01 1hda h PRO 100 Ca -0.48 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1hda h PRO 100 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1hda h PRO 100 CO 0.94 0.00 0.48 1.49 -0.21 0.00 0.00 178.00 180.70 1hda h GLU 101 N 0.00 0.24 -0.74 1.05 4.57 -1.97 -1.07 114.58 116.65 1hda h GLU 101 Ca 0.09 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1hda h GLU 101 Cb 0.55 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1hda h GLU 101 CO -0.00 0.16 0.49 -0.91 -1.18 0.00 0.00 179.01 177.56 1hda h ASN 102 N 0.24 0.77 -0.56 1.04 2.35 -1.56 -0.51 115.58 117.35 1hda h ASN 102 Ca 0.34 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1hda h ASN 102 Cb 0.98 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 1hda h ASN 102 CO -0.07 0.53 0.32 -0.26 -1.65 0.00 0.00 177.43 176.29 1hda h PHE 103 N 0.89 0.78 -0.17 1.19 0.04 -1.37 -0.39 116.94 117.91 1hda h PHE 103 Ca 0.30 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.97 1hda h PHE 103 Cb 0.07 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.96 1hda h PHE 103 CO -0.00 0.55 -0.22 0.87 -0.60 0.00 0.00 178.31 178.91 1hda h LYS 104 N 0.81 0.45 -0.88 1.51 1.57 -1.12 -1.85 116.57 117.06 1hda h LYS 104 Ca 0.21 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1hda h LYS 104 Cb 0.02 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1hda h LYS 104 CO -0.03 0.84 0.58 -0.07 -0.57 0.00 0.00 179.45 180.19 1hda h LEU 105 N 0.09 0.98 -0.44 2.94 3.38 -0.81 -2.31 115.31 119.15 1hda h LEU 105 Ca 0.02 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1hda h LEU 105 Cb 0.78 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1hda h LEU 105 CO 0.05 0.70 -0.37 0.25 0.09 0.00 0.00 178.44 179.15 1hda h LEU 106 N 1.16 0.96 -0.51 1.67 7.12 -1.05 -1.74 115.31 122.91 1hda h LEU 106 Ca 0.33 -0.43 0.02 0.00 0.13 0.00 0.00 57.88 57.93 1hda h LEU 106 Cb -0.08 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 39.75 1hda h LEU 106 CO -0.09 1.22 0.32 1.23 -0.13 0.00 0.00 178.44 180.99 1hda h GLY 107 N 0.82 0.73 0.88 3.75 0.00 -1.09 0.31 103.07 108.47 1hda h GLY 107 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1hda h GLY 107 CO 0.09 0.22 0.02 3.43 0.00 0.00 0.00 176.54 180.30 1hda h ASN 108 N 0.64 0.50 -0.95 0.19 2.35 -1.27 -1.53 115.58 115.51 1hda h ASN 108 Ca 0.20 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1hda h ASN 108 Cb -0.02 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 1hda h ASN 108 CO -0.07 0.67 0.60 0.58 -1.65 0.00 0.00 177.43 177.56 1hda h VAL 109 N 0.31 1.25 -0.59 2.81 2.07 -1.12 -1.91 116.25 119.07 1hda h VAL 109 Ca 0.09 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1hda h VAL 109 Cb 0.40 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1hda h VAL 109 CO 0.01 0.25 0.15 0.25 0.02 0.00 0.00 177.57 178.25 1hda h LEU 110 N 1.30 0.89 -1.08 2.57 5.85 -0.72 0.84 115.31 124.95 1hda h LEU 110 Ca 0.34 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1hda h LEU 110 Cb -0.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1hda h LEU 110 CO -0.07 0.89 -0.16 -0.37 -0.34 0.00 0.00 178.44 178.39 1hda h VAL 111 N 0.85 1.24 -0.33 1.05 -1.51 -0.79 0.26 116.25 117.02 1hda h VAL 111 Ca 0.19 -1.07 -0.11 0.00 -1.23 0.00 0.00 66.70 64.48 1hda h VAL 111 Cb 0.35 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1hda h VAL 111 CO 0.00 0.34 -0.25 0.58 -1.23 0.00 0.00 177.57 177.02 1hda h VAL 112 N 0.42 1.27 -0.30 7.19 2.07 -0.65 -2.15 116.25 124.10 1hda h VAL 112 Ca 0.07 -1.33 -0.18 0.00 0.82 0.00 0.00 66.70 66.08 1hda h VAL 112 Cb 0.53 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1hda h VAL 112 CO 0.03 0.44 -0.51 0.58 0.02 0.00 0.00 177.57 178.13 1hda h VAL 113 N 0.57 1.28 -0.69 2.57 2.07 -0.34 -1.83 116.25 119.88 1hda h VAL 113 Ca 0.08 -1.69 0.01 0.00 0.82 0.00 0.00 66.70 65.91 1hda h VAL 113 Cb 0.73 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1hda h VAL 113 CO 0.06 0.55 0.45 -0.07 0.02 0.00 0.00 177.57 178.58 1hda h LEU 114 N 0.66 0.79 -0.14 2.57 3.38 -0.77 -1.64 115.31 120.17 1hda h LEU 114 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hda h LEU 114 Cb 1.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1hda h LEU 114 CO 0.12 0.58 0.09 0.00 0.09 0.00 0.00 178.44 179.31 1hda h ALA 115 N 1.25 0.18 0.00 1.53 0.00 -1.25 -0.46 119.26 120.50 1hda h ALA 115 Ca 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1hda h ALA 115 Cb -0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1hda h ALA 115 CO -0.05 -0.35 -0.13 -0.09 0.00 0.00 0.00 179.25 178.63 1hda h ARG 116 N 0.18 0.00 0.00 0.00 2.43 -0.92 0.22 114.38 116.28 1hda h ARG 116 Ca 0.05 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.97 1hda h ARG 116 Cb -0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1hda h ARG 116 CO -0.02 0.13 -1.64 0.09 -1.51 0.00 0.00 179.97 177.02 1hda n ASN 117 N -4.03 0.85 -0.42 -3.80 3.02 -0.65 -4.38 115.26 105.83 1hda n ASN 117 Ca -0.02 0.39 0.06 0.00 -0.03 0.00 0.00 54.58 54.99 1hda n ASN 117 Cb 0.21 0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.45 1hda n ASN 117 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1hda n PHE 118 N -2.99 0.00 -0.05 3.10 3.01 -0.21 -5.07 117.46 115.25 1hda n PHE 118 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1hda n PHE 118 Cb 0.99 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 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 0.85 2.62 0.31 1.37 0.00 0.05 -0.61 105.19 109.78 1hda n GLY 119 Ca 0.07 -0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.25 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 2.10 -1.98 -0.82 116.57 117.48 1hda h LYS 120 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1hda h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1hda h LYS 120 CO 0.00 0.00 -0.27 0.93 -2.00 0.00 0.00 179.45 178.11 1hda h GLU 121 N 0.00 0.00 -4.30 0.07 5.08 -1.25 -3.33 114.58 110.84 1hda h GLU 121 Ca 0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 1hda h GLU 121 Cb 0.19 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.29 1hda h GLU 121 CO 0.00 0.27 1.85 0.34 -1.00 0.00 0.00 179.01 180.48 1hda n PHE 122 N -3.50 4.02 -1.25 4.33 7.35 -0.31 -4.99 117.46 123.11 1hda n PHE 122 Ca -0.00 -3.05 -0.31 0.00 -0.76 0.00 0.00 57.45 53.33 1hda n PHE 122 Cb 0.44 -2.17 0.09 0.00 0.35 0.00 0.00 39.48 38.19 1hda n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hda s THR 123 N 1.48 3.28 0.30 -2.13 -4.23 -1.25 -4.72 115.64 108.37 1hda s THR 123 Ca 0.43 0.42 0.06 0.00 -1.18 0.00 0.00 61.69 61.42 1hda s THR 123 Cb 0.04 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.28 1hda s THR 123 CO 0.00 -0.54 1.74 -0.65 -0.54 0.00 0.00 174.62 174.63 1hda h PRO 124 N -1.12 0.58 -0.32 3.99 0.11 -1.94 0.31 132.00 133.60 1hda h PRO 124 Ca -0.44 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1hda h PRO 124 Cb 1.23 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1hda h PRO 124 CO 0.51 0.38 -0.45 0.28 -0.21 0.00 0.00 178.00 178.52 1hda h VAL 125 N 0.60 1.28 0.30 3.15 2.07 -1.99 -2.12 116.25 119.53 1hda h VAL 125 Ca 0.59 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1hda h VAL 125 Cb 1.04 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1hda h VAL 125 CO -0.45 0.53 -0.14 0.25 0.02 0.00 0.00 177.57 177.78 1hda h LEU 126 N 0.67 -0.34 -0.82 2.57 5.85 -1.34 -2.25 115.31 119.65 1hda h LEU 126 Ca 0.04 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1hda h LEU 126 Cb 1.03 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 1hda h LEU 126 CO 0.10 -0.12 0.41 -0.61 -0.34 0.00 0.00 178.44 177.88 1hda h GLN 127 N -0.55 0.58 -0.72 1.25 4.15 -0.51 -0.86 115.11 118.45 1hda h GLN 127 Ca -0.04 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.35 1hda h GLN 127 Cb 0.40 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1hda h GLN 127 CO 0.07 0.38 0.48 0.00 -1.93 0.00 0.00 178.83 177.83 1hda h ALA 128 N 1.54 0.92 -0.41 3.38 0.00 -1.14 0.66 119.26 124.21 1hda h ALA 128 Ca 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1hda h ALA 128 Cb 0.60 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1hda h ALA 128 CO -0.35 0.34 0.20 -0.44 0.00 0.00 0.00 179.25 179.00 1hda h ASP 129 N 0.98 0.53 -0.08 0.00 3.32 -0.60 -2.71 116.42 117.86 1hda h ASP 129 Ca 0.26 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1hda h ASP 129 Cb -0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1hda h ASP 129 CO -0.06 0.50 -0.23 -0.26 -1.72 0.00 0.00 179.24 177.47 1hda h PHE 130 N 0.52 0.55 -0.80 4.55 0.04 -0.93 -2.07 116.94 118.79 1hda h PHE 130 Ca 0.14 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1hda h PHE 130 Cb 0.11 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 1hda h PHE 130 CO -0.01 0.69 0.53 1.96 -0.60 0.00 0.00 178.31 180.88 1hda h GLN 131 N 0.44 1.04 -0.37 1.51 1.08 -0.62 1.00 115.11 119.18 1hda h GLN 131 Ca 0.07 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 57.05 1hda h GLN 131 Cb 0.64 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1hda h GLN 131 CO 0.05 0.69 -0.38 0.87 -0.95 0.00 0.00 178.83 179.10 1hda h LYS 132 N 1.07 0.90 0.47 1.46 1.57 -1.11 -2.79 116.57 118.13 1hda h LYS 132 Ca 0.30 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1hda h LYS 132 Cb -0.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1hda h LYS 132 CO -0.07 1.12 -0.23 0.28 -0.57 0.00 0.00 179.45 179.98 1hda h VAL 133 N 0.74 0.50 -0.98 0.50 2.07 -0.62 -1.02 116.25 117.44 1hda h VAL 133 Ca 0.06 -0.28 0.18 0.00 0.82 0.00 0.00 66.70 67.48 1hda h VAL 133 Cb 0.96 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 31.26 1hda h VAL 133 CO 0.09 0.05 0.58 0.58 0.02 0.00 0.00 177.57 178.89 1hda h VAL 134 N -0.81 0.71 0.01 2.57 2.07 -0.93 0.14 116.25 120.01 1hda h VAL 134 Ca -0.06 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1hda h VAL 134 Cb 0.56 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1hda h VAL 134 CO 0.11 0.14 -0.00 0.00 0.02 0.00 0.00 177.57 177.83 1hda h ALA 135 N 1.63 -0.01 -0.61 1.67 0.00 -1.40 -1.46 119.26 119.09 1hda h ALA 135 Ca 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1hda h ALA 135 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1hda h ALA 135 CO -0.38 -0.27 0.33 0.78 0.00 0.00 0.00 179.25 179.70 1hda h GLY 136 N -0.48 0.89 0.58 0.00 0.00 -0.30 -1.34 103.07 102.42 1hda h GLY 136 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1hda h GLY 136 CO 0.00 0.37 -0.02 -2.08 0.00 0.00 0.00 176.54 174.81 1hda h VAL 137 N 0.84 1.36 -0.99 4.60 2.07 -0.71 -0.66 116.25 122.77 1hda h VAL 137 Ca 0.22 -1.12 0.11 0.00 0.82 0.00 0.00 66.70 66.72 1hda h VAL 137 Cb 0.03 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1hda h VAL 137 CO -0.03 0.30 0.63 0.00 0.02 0.00 0.00 177.57 178.48 1hda h ALA 138 N 0.56 1.53 -0.29 1.67 0.00 -1.10 0.33 119.26 121.95 1hda h ALA 138 Ca 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1hda h ALA 138 Cb 0.50 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hda h ALA 138 CO 0.01 0.25 -0.30 -0.91 0.00 0.00 0.00 179.25 178.29 1hda h ASN 139 N 1.00 0.77 -0.53 0.00 2.35 -1.21 -1.99 115.58 115.97 1hda h ASN 139 Ca 0.48 -0.48 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1hda h ASN 139 Cb 0.44 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1hda h ASN 139 CO -0.24 1.09 0.04 0.00 -1.65 0.00 0.00 177.43 176.66 1hda h ALA 140 N 0.70 0.99 0.00 -0.83 0.00 -0.03 -2.25 119.26 117.84 1hda h ALA 140 Ca 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1hda h ALA 140 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1hda h ALA 140 CO 0.07 0.62 -0.22 -0.07 0.00 0.00 0.00 179.25 179.66 1hda h LEU 141 N 0.88 0.00 -0.24 0.00 3.38 -0.91 -3.13 115.31 115.29 1hda h LEU 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1hda h LEU 141 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1hda h LEU 141 CO 0.02 0.22 -0.68 0.00 0.09 0.00 0.00 178.44 178.09 1hda n ALA 142 N -2.25 4.01 0.28 1.53 0.00 -0.76 -4.24 120.51 119.07 1hda n ALA 142 Ca -0.00 -0.51 0.14 0.00 0.00 0.00 0.00 53.44 53.06 1hda n ALA 142 Cb 0.39 -0.92 0.80 0.00 0.00 0.00 0.00 19.45 19.73 1hda n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hda h HIS 143 N 0.59 0.00 -0.55 0.00 -0.00 -1.35 -2.82 115.15 111.01 1hda h HIS 143 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1hda h HIS 143 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1hda h HIS 143 CO 0.00 0.08 0.00 0.54 -0.00 0.00 0.00 177.93 178.55 1hda n ARG 144 N -3.62 3.14 -2.19 5.26 5.12 -1.26 -4.97 116.66 118.13 1hda n ARG 144 Ca -0.02 -2.59 -0.38 0.00 -1.93 0.00 0.00 57.85 52.93 1hda n ARG 144 Cb 0.20 -1.62 -0.01 0.00 -1.16 0.00 0.00 32.46 29.87 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 -1.46 2.88 0.00 -1.55 1.51 -1.07 -4.71 117.35 112.94 1hda s TYR 145 Ca 0.42 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.98 1hda s TYR 145 Cb 0.25 -3.48 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1hda s TYR 145 CO 0.23 -1.67 0.00 -2.39 -1.11 0.00 0.00 175.55 170.61