#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hda s LEU 2 N 0.00 4.17 0.95 7.52 1.43 -1.26 -5.02 118.68 126.46 1hda s LEU 2 Ca 0.00 1.54 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 1hda s LEU 2 Cb 0.00 -3.54 0.18 0.00 0.03 0.00 0.00 46.19 42.85 1hda s LEU 2 CO 0.00 -0.64 1.26 -0.94 0.23 0.00 0.00 176.35 176.26 1hda s SER 3 N 1.41 3.24 0.20 2.29 1.04 -1.26 -4.86 113.70 115.76 1hda s SER 3 Ca 0.49 0.46 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 1hda s SER 3 Cb -0.18 -0.66 0.15 0.00 0.10 0.00 0.00 66.02 65.43 1hda s SER 3 CO 0.12 -2.67 1.87 0.00 0.98 0.00 0.00 173.24 173.54 1hda h ALA 4 N -1.59 0.90 -0.23 5.32 0.00 -2.00 -1.76 119.26 119.88 1hda h ALA 4 Ca -0.45 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1hda h ALA 4 Cb 1.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1hda h ALA 4 CO 0.45 0.29 -0.25 0.00 0.00 0.00 0.00 179.25 179.74 1hda h ALA 5 N 1.27 1.14 -0.25 0.00 0.00 -2.00 -2.46 119.26 116.96 1hda h ALA 5 Ca 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1hda h ALA 5 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1hda h ALA 5 CO -0.07 0.54 0.09 -0.44 0.00 0.00 0.00 179.25 179.38 1hda h ASP 6 N 0.39 0.36 -0.38 0.00 3.32 -1.70 -2.13 116.42 116.27 1hda h ASP 6 Ca 0.06 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1hda h ASP 6 Cb 0.65 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1hda h ASP 6 CO 0.05 0.45 0.22 0.11 -1.72 0.00 0.00 179.24 178.35 1hda h LYS 7 N 0.25 0.43 -0.27 3.56 1.57 -1.23 -1.22 116.57 119.67 1hda h LYS 7 Ca 0.08 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1hda h LYS 7 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1hda h LYS 7 CO -0.00 0.29 0.09 0.78 -0.57 0.00 0.00 179.45 180.03 1hda h GLY 8 N 0.45 0.33 1.02 3.86 0.00 -1.38 0.15 103.07 107.49 1hda h GLY 8 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1hda h GLY 8 CO -0.08 0.03 0.43 3.43 0.00 0.00 0.00 176.54 180.35 1hda h ASN 9 N 0.21 0.98 -0.04 0.19 -0.26 -1.04 0.55 115.58 116.17 1hda h ASN 9 Ca 0.12 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1hda h ASN 9 Cb 0.09 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.10 1hda h ASN 9 CO -0.12 0.80 0.01 0.58 -1.06 0.00 0.00 177.43 177.63 1hda h VAL 10 N 1.09 1.20 -0.32 2.81 2.07 -0.83 0.41 116.25 122.68 1hda h VAL 10 Ca 0.28 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1hda h VAL 10 Cb 0.03 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1hda h VAL 10 CO -0.04 0.17 0.20 0.11 0.02 0.00 0.00 177.57 178.03 1hda h LYS 11 N -0.17 0.42 0.01 1.57 1.57 -0.86 0.11 116.57 119.22 1hda h LYS 11 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1hda h LYS 11 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1hda h LYS 11 CO 0.00 0.29 -0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1hda h ALA 12 N 1.10 -0.01 -0.44 3.86 0.00 -0.82 -0.65 119.26 122.29 1hda h ALA 12 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1hda h ALA 12 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1hda h ALA 12 CO -0.02 -0.48 0.02 0.00 0.00 0.00 0.00 179.25 178.77 1hda h ALA 13 N 0.93 1.21 -0.11 0.00 0.00 -0.74 -2.15 119.26 118.39 1hda h ALA 13 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1hda h ALA 13 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1hda h ALA 13 CO 0.00 0.52 -0.44 2.35 0.00 0.00 0.00 179.25 181.68 1hda h TRP 14 N 0.67 0.31 -0.20 0.00 2.91 -0.64 -2.14 115.95 116.86 1hda h TRP 14 Ca 0.14 -0.09 0.02 0.00 1.13 0.00 0.00 58.89 60.08 1hda h TRP 14 Cb 0.39 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 1hda h TRP 14 CO 0.02 0.67 0.08 0.78 -1.03 0.00 0.00 178.44 178.95 1hda h GLY 15 N 1.25 0.25 1.76 2.65 0.00 -0.70 -1.75 103.07 106.52 1hda h GLY 15 Ca 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1hda h GLY 15 CO 0.07 0.04 -0.28 0.50 0.00 0.00 0.00 176.54 176.87 1hda h LYS 16 N 0.18 0.28 -0.32 4.80 1.79 -1.11 -2.20 116.57 120.01 1hda h LYS 16 Ca 0.08 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1hda h LYS 16 Cb 0.04 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1hda h LYS 16 CO -0.08 0.54 0.11 0.28 -1.08 0.00 0.00 179.45 179.23 1hda h VAL 17 N 0.25 0.91 0.00 0.50 2.07 -0.70 -3.46 116.25 115.82 1hda h VAL 17 Ca 0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1hda h VAL 17 Cb 0.63 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1hda h VAL 17 CO 0.05 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1hda n GLY 18 N -1.20 3.14 0.14 2.17 0.00 -0.73 -2.16 105.19 106.54 1hda n GLY 18 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1hda n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hda n GLY 19 N 0.00 -1.06 0.07 -0.02 0.00 -1.26 -2.76 105.19 100.16 1hda n GLY 19 Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1hda n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hda n HIS 20 N -2.21 0.01 -0.12 1.61 8.25 -0.92 -4.25 115.22 117.60 1hda n HIS 20 Ca 0.00 -0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1hda n HIS 20 Cb 0.13 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.26 1hda n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hda h ALA 21 N 3.92 0.24 -0.66 -1.41 0.00 -1.68 0.94 119.26 120.62 1hda h ALA 21 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1hda h ALA 21 Cb 0.07 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1hda h ALA 21 CO 0.00 -0.46 0.37 0.00 0.00 0.00 0.00 179.25 179.16 1hda h ALA 22 N 1.37 0.88 -0.18 0.00 0.00 -1.87 -1.32 119.26 118.14 1hda h ALA 22 Ca 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1hda h ALA 22 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1hda h ALA 22 CO -0.41 0.05 0.11 1.49 0.00 0.00 0.00 179.25 180.49 1hda h GLU 23 N 0.69 0.25 -0.45 0.00 4.81 -1.59 -2.28 114.58 116.02 1hda h GLU 23 Ca 0.29 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1hda h GLU 23 Cb 0.17 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1hda h GLU 23 CO -0.18 0.23 0.03 1.88 -0.73 0.00 0.00 179.01 180.24 1hda h TYR 24 N 0.21 0.74 -0.26 0.92 0.05 -0.45 -2.36 116.97 115.82 1hda h TYR 24 Ca 0.07 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1hda h TYR 24 Cb 0.04 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1hda h TYR 24 CO -0.05 0.68 0.09 0.78 -1.05 0.00 0.00 178.16 178.61 1hda h GLY 25 N 0.93 0.44 1.41 3.88 0.00 -1.12 0.69 103.07 109.30 1hda h GLY 25 Ca 0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1hda h GLY 25 CO 0.01 0.24 0.01 0.00 0.00 0.00 0.00 176.54 176.80 1hda h ALA 26 N 0.92 1.17 -0.30 3.60 0.00 -1.18 -1.46 119.26 122.01 1hda h ALA 26 Ca 0.09 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1hda h ALA 26 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1hda h ALA 26 CO -0.00 0.54 -0.41 1.49 0.00 0.00 0.00 179.25 180.86 1hda h GLU 27 N 0.69 0.73 -0.19 0.00 4.81 -1.12 -2.43 114.58 117.07 1hda h GLU 27 Ca 0.14 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1hda h GLU 27 Cb 0.41 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1hda h GLU 27 CO 0.02 1.01 0.11 0.00 -0.73 0.00 0.00 179.01 179.42 1hda h ALA 28 N 0.94 0.24 -0.28 2.92 0.00 -0.57 0.39 119.26 122.89 1hda h ALA 28 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1hda h ALA 28 Cb 0.96 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1hda h ALA 28 CO 0.09 -0.25 -0.08 -0.07 0.00 0.00 0.00 179.25 178.95 1hda h LEU 29 N 0.22 -0.28 -0.58 0.00 3.38 -1.13 -0.10 115.31 116.82 1hda h LEU 29 Ca 0.07 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1hda h LEU 29 Cb 0.04 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1hda h LEU 29 CO -0.01 -0.10 0.38 -0.08 0.09 0.00 0.00 178.44 178.72 1hda h GLU 30 N -0.01 0.75 -0.45 1.13 4.81 -1.23 0.05 114.58 119.63 1hda h GLU 30 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1hda h GLU 30 Cb 0.22 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1hda h GLU 30 CO -0.29 0.50 0.23 0.00 -0.73 0.00 0.00 179.01 178.71 1hda h ARG 31 N 0.77 0.64 -0.43 1.92 3.08 -0.39 -2.11 114.38 117.86 1hda h ARG 31 Ca 0.21 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.22 1hda h ARG 31 Cb -0.08 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 1hda h ARG 31 CO -0.05 0.53 0.17 1.98 -1.07 0.00 0.00 179.97 181.53 1hda h MET 32 N 0.59 0.34 -0.31 0.04 4.05 -0.73 -1.49 114.93 117.42 1hda h MET 32 Ca 0.16 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.48 1hda h MET 32 Cb 0.09 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1hda h MET 32 CO -0.02 0.23 -0.13 0.74 0.23 0.00 0.00 176.91 177.95 1hda h PHE 33 N 0.35 0.58 0.07 1.39 0.04 -0.69 -0.08 116.94 118.60 1hda h PHE 33 Ca 0.20 -0.09 -0.16 0.00 2.80 0.00 0.00 57.97 60.71 1hda h PHE 33 Cb 0.16 -0.15 0.02 0.00 2.20 0.00 0.00 35.95 38.17 1hda h PHE 33 CO -0.14 0.65 -0.66 -0.07 -0.60 0.00 0.00 178.31 177.50 1hda h LEU 34 N 0.50 0.47 -0.11 1.54 3.38 -1.25 -3.26 115.31 116.57 1hda h LEU 34 Ca 0.09 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 57.17 1hda h LEU 34 Cb 0.52 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1hda h LEU 34 CO 0.03 1.28 -0.05 0.28 0.09 0.00 0.00 178.44 180.07 1hda h SER 35 N -0.28 0.23 -2.77 -0.43 0.02 -1.30 -3.39 113.55 105.65 1hda h SER 35 Ca -0.10 -0.42 -0.61 0.00 -0.84 0.00 0.00 61.79 59.82 1hda h SER 35 Cb 1.44 -0.06 -0.42 0.00 0.14 0.00 0.00 62.40 63.50 1hda h SER 35 CO 0.13 0.60 -0.62 0.49 -1.14 0.00 0.00 176.83 176.28 1hda n PHE 36 N -4.71 2.95 -0.07 3.45 3.72 -0.05 -4.98 117.46 117.78 1hda n PHE 36 Ca -0.06 -4.18 0.26 0.00 -0.05 0.00 0.00 57.45 53.41 1hda n PHE 36 Cb 0.28 -0.54 0.71 0.00 -0.94 0.00 0.00 39.48 38.99 1hda n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1hda h PRO 37 N 5.04 0.00 0.00 -1.08 0.13 -1.75 -0.38 132.00 133.96 1hda h PRO 37 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1hda h PRO 37 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1hda h PRO 37 CO 0.72 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 180.23 1hda h THR 38 N 0.00 0.41 0.00 1.56 1.35 -1.92 -1.85 112.91 112.47 1hda h THR 38 Ca 0.34 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1hda h THR 38 Cb 1.62 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1hda h THR 38 CO -0.00 0.05 0.00 0.71 -0.25 0.00 0.00 175.52 176.03 1hda h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.38 -2.46 112.91 117.23 1hda h THR 39 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1hda h THR 39 Cb 0.17 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1hda h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1hda h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.52 -3.02 116.57 118.32 1hda h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hda h LYS 40 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1hda h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1hda h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.61 -1.53 112.91 110.95 1hda h THR 41 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1hda h THR 41 Cb 0.56 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1hda h THR 41 CO 0.00 0.00 -0.32 -1.22 -0.25 0.00 0.00 175.52 173.73 1hda n TYR 42 N -2.84 0.00 -2.51 4.73 4.01 -1.14 -4.37 117.16 115.04 1hda n TYR 42 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1hda n TYR 42 Cb 0.10 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1hda n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hda n PHE 43 N -0.99 2.70 0.20 -0.72 3.72 -0.58 -4.90 117.46 116.90 1hda n PHE 43 Ca 0.10 -2.94 0.06 0.00 -0.05 0.00 0.00 57.45 54.62 1hda n PHE 43 Cb 0.34 -0.18 0.56 0.00 -0.94 0.00 0.00 39.48 39.25 1hda n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1hda h PRO 44 N 2.67 0.10 -0.67 -1.08 0.13 -1.76 -1.97 132.00 129.42 1hda h PRO 44 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1hda h PRO 44 Cb 1.04 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1hda h PRO 44 CO 0.73 0.12 0.00 -2.39 -0.23 0.00 0.00 178.00 176.23 1hda n HIS 45 N -4.46 1.30 -4.16 1.56 1.44 -1.26 -4.91 115.22 104.73 1hda n HIS 45 Ca -0.02 -0.47 -0.25 0.00 -2.01 0.00 0.00 57.72 54.96 1hda n HIS 45 Cb 0.13 -0.31 -0.06 0.00 0.12 0.00 0.00 29.99 29.87 1hda n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hda s PHE 46 N -2.03 2.96 -0.44 -1.40 0.40 -0.74 -5.07 117.98 111.66 1hda s PHE 46 Ca 0.38 -0.10 -0.19 0.00 -0.60 0.00 0.00 56.93 56.41 1hda s PHE 46 Cb 0.27 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.42 1hda s PHE 46 CO 0.14 0.53 0.58 0.34 0.70 0.00 0.00 175.22 177.51 1hda s ASP 47 N -3.20 6.27 -0.14 1.36 2.15 -1.26 -4.92 116.67 116.93 1hda s ASP 47 Ca 0.30 -0.52 0.17 0.00 0.43 0.00 0.00 52.55 52.93 1hda s ASP 47 Cb -0.09 -2.29 0.73 0.00 -0.30 0.00 0.00 42.92 40.97 1hda s ASP 47 CO 0.21 -0.73 1.63 0.18 -0.17 0.00 0.00 175.17 176.29 1hda n LEU 48 N 6.05 4.88 -4.70 -1.34 4.77 -1.26 -4.45 117.00 120.95 1hda n LEU 48 Ca -0.04 -2.47 -0.30 0.00 -0.03 0.00 0.00 56.01 53.17 1hda n LEU 48 Cb 0.47 -0.60 0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1hda n LEU 48 CO 0.51 0.75 0.66 -0.94 -1.33 0.00 0.00 177.39 177.05 1hda s SER 49 N -0.85 3.37 0.22 -1.43 1.04 -1.26 -4.92 113.70 109.88 1hda s SER 49 Ca 0.51 1.69 -0.31 0.00 0.48 0.00 0.00 55.95 58.31 1hda s SER 49 Cb 0.34 -2.33 -0.11 0.00 0.10 0.00 0.00 66.02 64.02 1hda s SER 49 CO 0.22 -2.73 1.62 -2.28 0.98 0.00 0.00 173.24 171.05 1hda s HIS 50 N -2.83 2.92 -0.11 5.02 2.46 -1.26 -2.36 115.29 119.13 1hda s HIS 50 Ca 0.64 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.77 1hda s HIS 50 Cb -0.19 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 1hda s HIS 50 CO 0.58 -3.72 0.00 0.41 -2.47 0.00 0.00 174.74 169.54 1hda n GLY 51 N 3.27 0.41 3.68 1.59 0.00 -1.26 -4.99 105.19 107.88 1hda n GLY 51 Ca 0.12 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1hda n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hda n SER 52 N -0.22 2.33 -0.34 1.61 3.41 -0.99 -4.84 113.62 114.59 1hda n SER 52 Ca -0.01 1.11 -0.04 0.00 -0.26 0.00 0.00 58.87 59.67 1hda n SER 52 Cb 0.19 -1.47 0.09 0.00 -0.26 0.00 0.00 64.21 62.76 1hda n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hda h ALA 53 N 2.04 1.15 -0.26 7.33 0.00 -1.92 -1.41 119.26 126.19 1hda h ALA 53 Ca -0.47 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1hda h ALA 53 Cb 1.30 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1hda h ALA 53 CO 0.60 0.61 0.10 1.96 0.00 0.00 0.00 179.25 182.52 1hda h GLN 54 N 1.24 0.22 -0.25 0.00 4.20 -1.90 0.35 115.11 118.98 1hda h GLN 54 Ca 0.32 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.98 1hda h GLN 54 Cb -0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1hda h GLN 54 CO -0.06 0.14 -0.00 0.28 -0.67 0.00 0.00 178.83 178.52 1hda h VAL 55 N 0.22 1.26 -0.68 -0.54 2.07 -1.72 0.01 116.25 116.86 1hda h VAL 55 Ca 0.11 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1hda h VAL 55 Cb 0.07 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1hda h VAL 55 CO -0.11 0.28 0.30 0.11 0.02 0.00 0.00 177.57 178.17 1hda h LYS 56 N 0.21 0.99 -0.24 1.57 1.57 -0.92 -0.52 116.57 119.23 1hda h LYS 56 Ca 0.07 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1hda h LYS 56 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1hda h LYS 56 CO 0.01 0.79 0.08 0.78 -0.57 0.00 0.00 179.45 180.54 1hda h GLY 57 N 1.05 0.40 0.98 3.86 0.00 -0.07 -2.56 103.07 106.73 1hda h GLY 57 Ca 0.23 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1hda h GLY 57 CO -0.03 0.22 -0.06 0.84 0.00 0.00 0.00 176.54 177.51 1hda h HIS 58 N 0.22 0.86 -0.81 5.60 -0.00 -0.74 -2.78 115.15 117.52 1hda h HIS 58 Ca 0.08 -0.17 0.08 0.00 -0.00 0.00 0.00 60.37 60.35 1hda h HIS 58 Cb 0.22 -0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 1hda h HIS 58 CO 0.00 0.88 0.53 0.78 -0.00 0.00 0.00 177.93 180.12 1hda h GLY 59 N 0.60 1.11 1.49 5.26 0.00 -1.06 -0.61 103.07 109.86 1hda h GLY 59 Ca 0.11 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1hda h GLY 59 CO 0.03 0.22 -0.38 0.00 0.00 0.00 0.00 176.54 176.41 1hda h ALA 60 N 1.58 0.87 -0.20 3.60 0.00 -1.29 -0.63 119.26 123.18 1hda h ALA 60 Ca 0.36 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1hda h ALA 60 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hda h ALA 60 CO -0.13 0.64 -0.59 0.87 0.00 0.00 0.00 179.25 180.03 1hda h LYS 61 N 0.47 0.67 0.19 0.00 1.57 -0.99 0.10 116.57 118.57 1hda h LYS 61 Ca 0.04 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1hda h LYS 61 Cb 0.88 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1hda h LYS 61 CO 0.08 1.06 -0.09 0.28 -0.57 0.00 0.00 179.45 180.21 1hda h VAL 62 N 0.50 0.88 -0.68 0.50 2.07 -1.04 -0.14 116.25 118.34 1hda h VAL 62 Ca -0.00 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1hda h VAL 62 Cb 1.17 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1hda h VAL 62 CO 0.12 0.07 0.42 0.00 0.02 0.00 0.00 177.57 178.20 1hda h ALA 63 N 0.38 0.89 -0.86 1.67 0.00 -1.12 -0.66 119.26 119.56 1hda h ALA 63 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hda h ALA 63 Cb 0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1hda h ALA 63 CO 0.04 0.17 0.56 0.00 0.00 0.00 0.00 179.25 180.02 1hda h ALA 64 N 1.30 1.37 -0.33 0.00 0.00 -0.70 0.21 119.26 121.11 1hda h ALA 64 Ca 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1hda h ALA 64 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1hda h ALA 64 CO -0.12 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.77 1hda h ALA 65 N 1.45 0.44 -0.87 0.00 0.00 0.14 -1.68 119.26 118.74 1hda h ALA 65 Ca 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hda h ALA 65 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1hda h ALA 65 CO -0.07 0.13 0.53 -0.07 0.00 0.00 0.00 179.25 179.78 1hda h LEU 66 N 0.38 1.03 -0.75 0.00 3.38 -0.50 -0.69 115.31 118.17 1hda h LEU 66 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1hda h LEU 66 Cb 0.33 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1hda h LEU 66 CO 0.00 0.78 0.37 0.74 0.09 0.00 0.00 178.44 180.43 1hda h THR 67 N 1.19 1.24 -0.11 0.22 2.02 -0.37 -1.09 112.91 116.01 1hda h THR 67 Ca 0.31 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1hda h THR 67 Cb -0.07 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1hda h THR 67 CO -0.06 0.27 0.06 0.50 0.37 0.00 0.00 175.52 176.66 1hda h LYS 68 N 1.04 0.16 -0.51 6.66 3.64 -0.57 -2.76 116.57 124.23 1hda h LYS 68 Ca 0.26 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1hda h LYS 68 Cb 0.09 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 1hda h LYS 68 CO -0.04 0.20 0.12 0.00 -2.27 0.00 0.00 179.45 177.47 1hda h ALA 69 N 0.95 0.59 -0.15 5.00 0.00 -0.76 -1.76 119.26 123.13 1hda h ALA 69 Ca 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hda h ALA 69 Cb 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1hda h ALA 69 CO -0.01 -0.29 0.08 0.28 0.00 0.00 0.00 179.25 179.31 1hda h VAL 70 N 0.27 1.06 0.00 0.00 2.07 -1.09 -1.44 116.25 117.11 1hda h VAL 70 Ca 0.26 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.50 1hda h VAL 70 Cb 0.34 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1hda h VAL 70 CO -0.32 0.06 -0.56 -0.33 0.02 0.00 0.00 177.57 176.44 1hda h GLU 71 N 0.21 0.00 -1.73 1.57 5.08 -1.04 -3.32 114.58 115.34 1hda h GLU 71 Ca 0.06 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.82 1hda h GLU 71 Cb 0.02 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 28.85 1hda h GLU 71 CO -0.01 0.56 -0.68 0.72 -1.00 0.00 0.00 179.01 178.61 1hda n HIS 72 N -3.28 3.58 0.16 4.33 8.25 -0.61 -4.84 115.22 122.81 1hda n HIS 72 Ca 0.01 -3.34 0.05 0.00 -0.26 0.00 0.00 57.72 54.19 1hda n HIS 72 Cb 0.74 -0.21 0.51 0.00 1.12 0.00 0.00 29.99 32.15 1hda n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hda h LEU 73 N 2.70 0.18 -0.05 2.41 3.38 -1.48 -1.58 115.31 120.86 1hda h LEU 73 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1hda h LEU 73 Cb 0.80 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1hda h LEU 73 CO 0.85 0.19 0.00 0.47 0.09 0.00 0.00 178.44 180.04 1hda n ASP 74 N -4.44 0.07 -2.70 -0.43 9.92 -1.26 -4.10 116.55 113.61 1hda n ASP 74 Ca -0.01 -2.00 -0.07 0.00 -0.53 0.00 0.00 54.79 52.19 1hda n ASP 74 Cb 0.14 -0.02 0.10 0.00 -0.64 0.00 0.00 41.12 40.70 1hda n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hda n ASP 75 N -0.46 -1.88 -0.36 -2.24 2.03 -0.60 -5.01 116.55 108.02 1hda n ASP 75 Ca 0.00 -2.93 0.03 0.00 0.52 0.00 0.00 54.79 52.42 1hda n ASP 75 Cb 0.01 1.60 0.18 0.00 -0.72 0.00 0.00 41.12 42.20 1hda n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1hda h LEU 76 N 2.67 1.00 -1.05 -2.67 -0.00 -1.69 -0.74 115.31 112.82 1hda h LEU 76 Ca -0.19 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.73 1hda h LEU 76 Cb 1.15 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.56 1hda h LEU 76 CO 0.07 0.62 0.64 -0.65 -0.00 0.00 0.00 178.44 179.13 1hda h PRO 77 N 1.13 1.23 0.15 1.13 0.11 -1.95 0.16 132.00 133.96 1hda h PRO 77 Ca 0.44 -0.07 -0.25 0.00 0.11 0.00 0.00 66.00 66.22 1hda h PRO 77 Cb 0.22 -0.28 0.03 0.00 0.11 0.00 0.00 31.00 31.07 1hda h PRO 77 CO -0.19 0.82 -1.06 0.78 -0.21 0.00 0.00 178.00 178.14 1hda h GLY 78 N 1.27 0.52 1.27 -0.55 0.00 -1.84 -2.46 103.07 101.28 1hda h GLY 78 Ca 0.37 -1.20 0.03 0.00 0.00 0.00 0.00 47.33 46.53 1hda h GLY 78 CO -0.10 1.05 0.41 0.00 0.00 0.00 0.00 176.54 177.91 1hda h ALA 79 N 0.18 1.66 -0.36 3.60 0.00 -0.87 -2.92 119.26 120.55 1hda h ALA 79 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1hda h ALA 79 Cb 1.80 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1hda h ALA 79 CO 0.20 0.27 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1hda n LEU 80 N -4.46 3.55 -0.06 0.00 4.77 0.54 -4.80 117.00 116.53 1hda n LEU 80 Ca 0.08 -2.43 -0.08 0.00 -0.03 0.00 0.00 56.01 53.54 1hda n LEU 80 Cb 0.13 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1hda n LEU 80 CO 0.35 0.72 0.67 0.77 -1.33 0.00 0.00 177.39 178.57 1hda h SER 81 N 2.26 -0.91 0.18 -1.43 4.64 -1.24 -1.55 113.55 115.50 1hda h SER 81 Ca 0.00 0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1hda h SER 81 Cb 1.10 0.42 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 1hda h SER 81 CO 0.11 -0.31 -0.29 1.05 -0.87 0.00 0.00 176.83 176.52 1hda h GLU 82 N -0.28 0.19 0.00 4.77 4.11 -1.87 -1.95 114.58 119.56 1hda h GLU 82 Ca 0.14 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.46 1hda h GLU 82 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1hda h GLU 82 CO -0.43 0.47 -0.20 -0.07 0.07 0.00 0.00 179.01 178.85 1hda h LEU 83 N 0.17 0.00 -0.03 3.06 3.38 -1.74 -0.74 115.31 119.40 1hda h LEU 83 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1hda h LEU 83 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1hda h LEU 83 CO 0.04 0.20 -0.00 0.28 0.09 0.00 0.00 178.44 179.05 1hda h SER 84 N 0.00 0.06 -0.58 -0.43 0.02 -0.65 -0.74 113.55 111.23 1hda h SER 84 Ca -0.00 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 60.54 1hda h SER 84 Cb 0.74 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1hda h SER 84 CO 0.03 0.39 0.14 0.44 -1.14 0.00 0.00 176.83 176.69 1hda h ASP 85 N -0.27 0.88 -0.49 3.07 3.32 -1.19 -1.55 116.42 120.19 1hda h ASP 85 Ca 0.01 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 1hda h ASP 85 Cb 0.36 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1hda h ASP 85 CO 0.00 0.89 0.14 0.25 -1.72 0.00 0.00 179.24 178.80 1hda h LEU 86 N 0.83 0.72 -0.24 1.55 5.85 -1.07 0.92 115.31 123.87 1hda h LEU 86 Ca 0.18 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 1hda h LEU 86 Cb 0.35 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1hda h LEU 86 CO 0.00 0.74 -0.23 0.45 -0.34 0.00 0.00 178.44 179.06 1hda h HIS 87 N 0.66 0.71 -0.16 1.25 3.86 -1.06 -0.32 115.15 120.08 1hda h HIS 87 Ca 0.16 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1hda h HIS 87 Cb 0.29 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1hda h HIS 87 CO 0.02 0.91 0.02 0.00 0.86 0.00 0.00 177.93 179.74 1hda h ALA 88 N 0.68 0.21 0.00 2.45 0.00 -1.23 0.80 119.26 122.17 1hda h ALA 88 Ca 0.04 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1hda h ALA 88 Cb 0.79 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1hda h ALA 88 CO 0.06 -0.11 -1.84 0.72 0.00 0.00 0.00 179.25 178.08 1hda n HIS 89 N -4.78 0.47 0.01 0.00 8.25 0.31 -4.53 115.22 114.96 1hda n HIS 89 Ca -0.05 0.16 -0.03 0.00 -0.26 0.00 0.00 57.72 57.54 1hda n HIS 89 Cb 0.19 -0.94 -0.01 0.00 1.12 0.00 0.00 29.99 30.36 1hda n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1hda n LYS 90 N -2.71 0.16 -0.08 -0.41 4.81 -0.83 -4.87 118.16 114.23 1hda n LYS 90 Ca -0.16 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.23 1hda n LYS 90 Cb 0.88 -0.77 -0.05 0.00 0.02 0.00 0.00 35.03 35.11 1hda n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1hda h LEU 91 N -0.30 0.45 -2.52 3.14 3.38 -1.11 -3.48 115.31 114.87 1hda h LEU 91 Ca 0.00 -0.39 -0.43 0.00 0.09 0.00 0.00 57.88 57.15 1hda h LEU 91 Cb 0.30 -0.12 0.06 0.00 0.09 0.00 0.00 40.66 40.99 1hda h LEU 91 CO 0.00 0.73 -0.90 0.54 0.09 0.00 0.00 178.44 178.91 1hda n ARG 92 N -4.57 -2.65 -2.67 1.13 3.00 0.28 -4.94 116.66 106.24 1hda n ARG 92 Ca -0.04 0.51 -0.42 0.00 -0.01 0.00 0.00 57.85 57.89 1hda n ARG 92 Cb 0.31 -4.58 -0.03 0.00 0.00 0.00 0.00 32.46 28.16 1hda n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1hda s VAL 93 N -3.62 4.76 0.26 1.55 1.01 -1.26 -4.99 120.40 118.12 1hda s VAL 93 Ca 0.25 2.00 -0.31 0.00 0.00 0.00 0.00 61.98 63.93 1hda s VAL 93 Cb -0.08 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 1hda s VAL 93 CO 0.85 0.08 1.62 -0.62 0.00 0.00 0.00 175.10 177.03 1hda s ASP 94 N 1.07 6.39 0.37 3.32 -1.08 -1.26 -4.89 116.67 120.60 1hda s ASP 94 Ca 0.51 2.90 0.19 0.00 -0.52 0.00 0.00 52.55 55.63 1hda s ASP 94 Cb -0.20 -2.62 1.18 0.00 -1.46 0.00 0.00 42.92 39.81 1hda s ASP 94 CO 0.24 -0.92 1.67 -0.65 0.52 0.00 0.00 175.17 176.03 1hda h PRO 95 N 5.43 0.26 -0.65 4.34 0.11 -2.00 -1.30 132.00 138.19 1hda h PRO 95 Ca -0.46 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.79 1hda h PRO 95 Cb 1.21 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1hda h PRO 95 CO 0.84 0.17 0.45 -0.39 -0.21 0.00 0.00 178.00 178.86 1hda h VAL 96 N 0.27 0.77 -0.05 3.15 -1.51 -2.03 -1.80 116.25 115.05 1hda h VAL 96 Ca 0.74 -0.08 0.01 0.00 -1.23 0.00 0.00 66.70 66.14 1hda h VAL 96 Cb 1.88 0.52 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1hda h VAL 96 CO -0.52 0.04 0.04 0.78 -1.23 0.00 0.00 177.57 176.68 1hda h ASN 97 N 0.23 0.00 -0.60 4.19 2.35 -1.60 -1.87 115.58 118.28 1hda h ASN 97 Ca 0.32 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 1hda h ASN 97 Cb 0.92 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1hda h ASN 97 CO -0.06 0.00 0.21 -0.26 -1.65 0.00 0.00 177.43 175.67 1hda h PHE 98 N 0.00 0.97 -0.76 1.19 -1.00 -1.50 -1.57 116.94 114.27 1hda h PHE 98 Ca 0.02 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1hda h PHE 98 Cb 0.09 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 1hda h PHE 98 CO 0.00 0.77 0.33 0.87 -1.61 0.00 0.00 178.31 178.68 1hda h LYS 99 N 0.92 1.10 -0.39 1.51 6.56 -1.48 -1.94 116.57 122.86 1hda h LYS 99 Ca 0.21 -0.17 -0.12 0.00 -1.06 0.00 0.00 60.65 59.51 1hda h LYS 99 Cb 0.24 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1hda h LYS 99 CO -0.01 0.87 -0.21 -0.07 -2.06 0.00 0.00 179.45 177.97 1hda h LEU 100 N 1.09 0.85 -0.60 2.94 3.38 -1.33 -2.32 115.31 119.32 1hda h LEU 100 Ca 0.26 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1hda h LEU 100 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1hda h LEU 100 CO -0.03 1.08 -0.17 0.25 0.09 0.00 0.00 178.44 179.67 1hda h LEU 101 N 0.63 0.95 -0.03 1.67 5.85 -1.14 -2.43 115.31 120.81 1hda h LEU 101 Ca 0.08 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1hda h LEU 101 Cb 0.77 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1hda h LEU 101 CO 0.06 1.10 -0.22 0.28 -0.34 0.00 0.00 178.44 179.32 1hda h SER 102 N 0.83 -0.65 0.08 1.25 0.02 -1.29 0.02 113.55 113.82 1hda h SER 102 Ca 0.12 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1hda h SER 102 Cb 0.72 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1hda h SER 102 CO 0.06 -0.28 -0.18 -0.74 -1.14 0.00 0.00 176.83 174.54 1hda h HIS 103 N -0.33 -0.47 -0.99 3.45 -0.00 -1.43 -0.23 115.15 115.15 1hda h HIS 103 Ca 0.07 0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.62 1hda h HIS 103 Cb 0.43 0.20 -0.10 0.00 -0.00 0.00 0.00 27.41 27.93 1hda h HIS 103 CO -0.27 -0.26 0.60 0.77 -0.00 0.00 0.00 177.93 178.76 1hda h SER 104 N -0.34 0.78 -0.23 3.26 0.02 -1.14 -0.92 113.55 114.98 1hda h SER 104 Ca 0.03 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1hda h SER 104 Cb 0.37 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1hda h SER 104 CO -0.11 0.31 -0.32 0.25 -1.14 0.00 0.00 176.83 175.82 1hda h LEU 105 N 0.79 0.69 -0.61 5.07 5.85 -0.32 -2.50 115.31 124.27 1hda h LEU 105 Ca 0.55 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1hda h LEU 105 Cb 0.80 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1hda h LEU 105 CO -0.36 1.06 0.39 -0.07 -0.34 0.00 0.00 178.44 179.12 1hda h LEU 106 N 0.33 0.65 -1.43 2.25 3.38 0.20 0.30 115.31 120.99 1hda h LEU 106 Ca 0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1hda h LEU 106 Cb 0.90 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1hda h LEU 106 CO 0.07 0.46 0.39 0.58 0.09 0.00 0.00 178.44 180.03 1hda h VAL 107 N 0.78 1.14 -0.02 1.22 2.07 -1.24 0.00 116.25 120.20 1hda h VAL 107 Ca 0.24 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1hda h VAL 107 Cb -0.02 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1hda h VAL 107 CO -0.08 0.14 -0.03 0.74 0.02 0.00 0.00 177.57 178.36 1hda h THR 108 N 0.78 1.40 -0.56 2.57 2.02 -0.81 -2.35 112.91 115.95 1hda h THR 108 Ca 0.21 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.18 1hda h THR 108 Cb -0.08 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1hda h THR 108 CO -0.05 0.32 0.37 -0.07 0.37 0.00 0.00 175.52 176.47 1hda h LEU 109 N -0.43 0.65 -0.39 2.58 3.38 -0.65 -2.63 115.31 117.82 1hda h LEU 109 Ca 0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1hda h LEU 109 Cb 0.54 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1hda h LEU 109 CO 0.01 0.47 0.12 0.00 0.09 0.00 0.00 178.44 179.13 1hda h ALA 110 N 1.20 0.45 0.00 1.53 0.00 -1.01 0.10 119.26 121.55 1hda h ALA 110 Ca 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1hda h ALA 110 Cb -0.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1hda h ALA 110 CO -0.04 -0.27 -0.24 0.66 0.00 0.00 0.00 179.25 179.36 1hda h SER 111 N 0.28 0.00 0.09 0.00 4.64 -1.25 -3.17 113.55 114.13 1hda h SER 111 Ca 0.18 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 1hda h SER 111 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1hda h SER 111 CO -0.20 0.24 -2.06 1.41 -0.87 0.00 0.00 176.83 175.35 1hda n HIS 112 N -3.55 0.11 -3.11 4.77 -0.00 -1.01 -4.68 115.22 107.75 1hda n HIS 112 Ca -0.01 0.03 -0.23 0.00 -0.00 0.00 0.00 57.72 57.51 1hda n HIS 112 Cb 0.39 -0.73 -0.04 0.00 -0.00 0.00 0.00 29.99 29.60 1hda n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hda n LEU 113 N -2.49 2.64 -0.19 2.41 4.32 0.33 -4.95 117.00 119.06 1hda n LEU 113 Ca -0.14 -5.31 0.15 0.00 -0.02 0.00 0.00 56.01 50.68 1hda n LEU 113 Cb 0.79 0.01 0.47 0.00 -1.62 0.00 0.00 43.42 43.08 1hda n LEU 113 CO 0.45 2.27 1.21 -0.65 -1.22 0.00 0.00 177.39 179.45 1hda h PRO 114 N 3.23 0.47 0.00 3.23 0.11 -1.79 -0.08 132.00 137.18 1hda h PRO 114 Ca 0.12 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 1hda h PRO 114 Cb 0.73 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1hda h PRO 114 CO 0.67 0.31 -1.03 0.77 -0.21 0.00 0.00 178.00 178.51 1hda h SER 115 N 0.49 0.00 0.59 -2.05 0.02 -1.92 -3.34 113.55 107.33 1hda h SER 115 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1hda h SER 115 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1hda h SER 115 CO -0.14 0.55 -1.14 0.47 -1.14 0.00 0.00 176.83 175.43 1hda n ASP 116 N -3.03 0.60 -3.41 3.07 8.00 -0.56 -4.54 116.55 116.69 1hda n ASP 116 Ca -0.05 0.03 -0.40 0.00 0.71 0.00 0.00 54.79 55.09 1hda n ASP 116 Cb 0.80 0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 42.69 1hda n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1hda n PHE 117 N -2.26 2.60 -1.32 1.24 7.35 -0.15 -4.82 117.46 120.10 1hda n PHE 117 Ca 0.00 -3.03 -0.30 0.00 -0.76 0.00 0.00 57.45 53.36 1hda n PHE 117 Cb 0.49 -2.37 0.10 0.00 0.35 0.00 0.00 39.48 38.05 1hda n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hda s THR 118 N 1.65 3.18 0.21 -2.13 -4.23 -1.26 -4.75 115.64 108.31 1hda s THR 118 Ca 0.64 0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 61.44 1hda s THR 118 Cb 0.17 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 71.23 1hda s THR 118 CO -0.07 -0.50 1.74 -0.65 -0.54 0.00 0.00 174.62 174.60 1hda h PRO 119 N -1.20 0.38 -0.19 3.99 0.11 -1.99 0.13 132.00 133.23 1hda h PRO 119 Ca -0.46 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1hda h PRO 119 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1hda h PRO 119 CO 0.54 0.25 -0.18 0.00 -0.21 0.00 0.00 178.00 178.40 1hda h ALA 120 N 1.43 1.34 -0.13 -0.75 0.00 -1.97 -1.37 119.26 117.82 1hda h ALA 120 Ca 0.31 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1hda h ALA 120 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1hda h ALA 120 CO -0.32 0.45 -0.76 0.28 0.00 0.00 0.00 179.25 178.89 1hda h VAL 121 N 0.30 1.31 -0.11 0.00 2.07 -1.64 -2.40 116.25 115.79 1hda h VAL 121 Ca 0.06 -2.04 0.04 0.00 0.82 0.00 0.00 66.70 65.58 1hda h VAL 121 Cb 0.50 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1hda h VAL 121 CO 0.03 0.63 -0.19 -0.74 0.02 0.00 0.00 177.57 177.33 1hda h HIS 122 N 0.45 -0.49 -0.81 1.57 6.17 -0.40 -0.18 115.15 121.45 1hda h HIS 122 Ca -0.05 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.05 1hda h HIS 122 Cb 1.37 0.23 -0.04 0.00 2.52 0.00 0.00 27.41 31.50 1hda h HIS 122 CO 0.07 -0.27 0.49 0.00 0.71 0.00 0.00 177.93 178.93 1hda h ALA 123 N 0.75 1.03 -0.11 5.26 0.00 -1.25 0.37 119.26 125.31 1hda h ALA 123 Ca 0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1hda h ALA 123 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1hda h ALA 123 CO -0.26 0.49 -0.61 0.77 0.00 0.00 0.00 179.25 179.64 1hda h SER 124 N 1.11 0.44 -0.14 0.00 0.02 -1.09 -2.26 113.55 111.62 1hda h SER 124 Ca 0.29 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1hda h SER 124 Cb -0.04 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 1hda h SER 124 CO -0.05 0.94 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.37 1hda h LEU 125 N 0.28 0.37 -0.52 5.07 3.38 -0.86 -0.19 115.31 122.85 1hda h LEU 125 Ca -0.01 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1hda h LEU 125 Cb 1.14 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1hda h LEU 125 CO 0.10 0.77 0.25 -0.78 0.09 0.00 0.00 178.44 178.88 1hda h ASP 126 N -0.03 0.35 -0.63 -0.43 1.82 -0.90 0.13 116.42 116.73 1hda h ASP 126 Ca 0.02 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 1hda h ASP 126 Cb 0.66 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 1hda h ASP 126 CO 0.03 0.24 0.06 0.11 -1.61 0.00 0.00 179.24 178.08 1hda h LYS 127 N 0.49 1.07 -0.08 0.28 1.57 -1.34 -1.63 116.57 116.93 1hda h LYS 127 Ca 0.23 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1hda h LYS 127 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1hda h LYS 127 CO -0.17 1.01 0.03 0.35 -0.57 0.00 0.00 179.45 180.10 1hda h PHE 128 N 0.98 0.12 -0.82 -1.35 3.57 -0.29 -0.74 116.94 118.41 1hda h PHE 128 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1hda h PHE 128 Cb 0.49 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1hda h PHE 128 CO 0.04 0.24 0.44 -0.07 -2.23 0.00 0.00 178.31 176.73 1hda h LEU 129 N -0.04 1.02 -0.56 0.59 4.07 -0.71 0.13 115.31 119.81 1hda h LEU 129 Ca 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1hda h LEU 129 Cb 0.17 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1hda h LEU 129 CO -0.00 0.83 0.23 0.00 -1.08 0.00 0.00 178.44 178.42 1hda h ALA 130 N 1.34 0.73 -0.58 1.53 0.00 -1.07 -0.97 119.26 120.24 1hda h ALA 130 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hda h ALA 130 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1hda h ALA 130 CO -0.05 0.33 0.36 -0.97 0.00 0.00 0.00 179.25 178.92 1hda h ASN 131 N 0.76 0.69 -0.49 0.00 -0.00 -0.35 -0.58 115.58 115.61 1hda h ASN 131 Ca 0.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1hda h ASN 131 Cb 0.18 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.31 1hda h ASN 131 CO -0.02 0.54 0.29 0.58 -0.00 0.00 0.00 177.43 178.82 1hda h VAL 132 N 0.78 1.16 -0.84 2.57 2.07 -0.71 -1.56 116.25 119.72 1hda h VAL 132 Ca 0.21 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1hda h VAL 132 Cb -0.03 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1hda h VAL 132 CO -0.04 0.16 0.55 0.28 0.02 0.00 0.00 177.57 178.54 1hda h SER 133 N 0.65 0.96 -0.52 0.57 0.02 -0.69 -0.78 113.55 113.77 1hda h SER 133 Ca 0.17 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1hda h SER 133 Cb 0.01 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1hda h SER 133 CO -0.03 0.70 0.13 0.74 -1.14 0.00 0.00 176.83 177.23 1hda h THR 134 N 1.13 1.24 -0.35 -2.27 2.02 -0.83 -2.01 112.91 111.84 1hda h THR 134 Ca 0.31 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 1hda h THR 134 Cb -0.13 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1hda h THR 134 CO -0.07 0.31 -0.03 0.58 0.37 0.00 0.00 175.52 176.68 1hda h VAL 135 N 0.72 1.27 0.00 3.16 2.07 -0.97 -1.67 116.25 120.84 1hda h VAL 135 Ca 0.16 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1hda h VAL 135 Cb 0.33 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1hda h VAL 135 CO 0.00 0.34 -0.13 -0.07 0.02 0.00 0.00 177.57 177.74 1hda h LEU 136 N 0.44 0.00 -2.53 2.57 3.38 -1.00 -2.62 115.31 115.55 1hda h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1hda h LEU 136 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1hda h LEU 136 CO 0.02 0.13 0.00 0.35 0.09 0.00 0.00 178.44 179.03 1hda n THR 137 N -3.86 0.75 0.30 0.22 -2.24 -0.77 -4.44 114.28 104.25 1hda n THR 137 Ca -0.02 -0.88 0.20 0.00 -2.27 0.00 0.00 64.05 61.08 1hda n THR 137 Cb 0.23 0.71 0.90 0.00 -2.10 0.00 0.00 70.33 70.07 1hda n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hda h SER 138 N 3.19 0.00 -0.35 3.42 4.64 -0.90 -2.92 113.55 120.63 1hda h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hda h SER 138 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1hda h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1hda n LYS 139 N -3.06 3.30 0.22 4.77 5.02 -1.26 -4.63 118.16 122.51 1hda n LYS 139 Ca -0.01 -2.79 0.06 0.00 -2.02 0.00 0.00 58.31 53.55 1hda n LYS 139 Cb 0.21 -1.84 0.49 0.00 -0.02 0.00 0.00 35.03 33.87 1hda n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1hda h TYR 140 N 2.36 0.00 0.00 2.13 -1.99 -1.84 -3.46 116.97 114.17 1hda h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1hda h TYR 140 Cb 1.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1hda h TYR 140 CO 0.58 0.24 0.00 2.89 -0.00 0.00 0.00 178.16 181.87