#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdh n HIS 2 N 0.00 0.00 -4.69 1.61 1.44 -1.26 -5.17 115.22 107.16 1fdh n HIS 2 Ca 0.00 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 1fdh n HIS 2 Cb 0.00 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 1fdh n HIS 2 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1fdh s PHE 3 N -2.08 1.41 0.52 -1.40 0.08 -1.26 -5.10 117.98 110.15 1fdh s PHE 3 Ca 0.00 -0.35 -0.23 0.00 0.12 0.00 0.00 56.93 56.47 1fdh s PHE 3 Cb 0.00 -0.95 -0.06 0.00 -0.57 0.00 0.00 43.02 41.45 1fdh s PHE 3 CO 0.00 -0.10 1.39 0.95 -0.10 0.00 0.00 175.22 177.36 1fdh s THR 4 N -0.05 2.02 0.52 0.64 -4.23 -1.26 -4.69 115.64 108.59 1fdh s THR 4 Ca -0.00 0.02 0.19 0.00 -1.18 0.00 0.00 61.69 60.71 1fdh s THR 4 Cb -0.09 -3.01 0.32 0.00 1.34 0.00 0.00 72.50 71.06 1fdh s THR 4 CO 0.01 0.00 2.09 -0.33 -0.54 0.00 0.00 174.62 175.85 1fdh h GLU 5 N 1.68 0.01 0.00 3.99 4.39 -2.00 1.01 114.58 123.67 1fdh h GLU 5 Ca -0.51 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.13 1fdh h GLU 5 Cb 1.29 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1fdh h GLU 5 CO 0.58 0.01 -0.26 1.49 -1.16 0.00 0.00 179.01 179.67 1fdh h GLU 6 N 0.01 0.00 0.00 2.33 4.57 -1.99 -0.43 114.58 119.08 1fdh h GLU 6 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1fdh h GLU 6 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1fdh h GLU 6 CO -0.00 0.26 0.00 -0.25 -1.18 0.00 0.00 179.01 177.84 1fdh n ASP 7 N -3.43 0.00 0.31 1.04 10.43 0.33 -2.91 116.55 122.33 1fdh n ASP 7 Ca 0.00 0.31 0.08 0.00 2.57 0.00 0.00 54.79 57.74 1fdh n ASP 7 Cb 0.45 -0.11 0.41 0.00 1.84 0.00 0.00 41.12 43.71 1fdh n ASP 7 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1fdh h LYS 8 N 0.00 0.00 0.18 -1.24 3.64 -1.09 1.87 116.57 119.93 1fdh h LYS 8 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1fdh h LYS 8 Cb 0.00 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1fdh h LYS 8 CO 0.00 0.00 -1.33 0.00 -2.27 0.00 0.00 179.45 175.85 1fdh h ALA 9 N 0.71 -0.01 -0.43 5.00 0.00 -1.19 -2.95 119.26 120.39 1fdh h ALA 9 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 1fdh h ALA 9 Cb 1.25 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1fdh h ALA 9 CO 0.00 0.84 0.26 1.15 0.00 0.00 0.00 179.25 181.50 1fdh h THR 10 N 0.12 1.14 0.00 0.00 2.02 0.31 -2.68 112.91 113.81 1fdh h THR 10 Ca -0.18 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1fdh h THR 10 Cb 2.04 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1fdh h THR 10 CO 0.23 0.14 -0.16 0.16 0.37 0.00 0.00 175.52 176.27 1fdh h ILE 11 N 0.57 0.28 -0.10 3.11 3.07 -1.60 -3.15 117.51 119.69 1fdh h ILE 11 Ca 0.15 -1.36 -0.16 0.00 1.55 0.00 0.00 64.86 65.05 1fdh h ILE 11 Cb 0.00 2.10 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 1fdh h ILE 11 CO -0.03 0.16 -0.61 0.74 -1.05 0.00 0.00 178.15 177.36 1fdh h THR 12 N 0.00 1.37 0.00 0.16 2.02 -1.33 -2.92 112.91 112.21 1fdh h THR 12 Ca -0.00 -1.96 -0.22 0.00 0.77 0.00 0.00 66.41 65.00 1fdh h THR 12 Cb 1.09 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 69.42 1fdh h THR 12 CO 0.02 0.59 -1.63 -1.54 0.37 0.00 0.00 175.52 173.33 1fdh n SER 13 N -3.89 0.73 -0.17 4.18 3.41 -1.03 -3.14 113.62 113.70 1fdh n SER 13 Ca -0.03 0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1fdh n SER 13 Cb 0.63 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1fdh n SER 13 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1fdh h LEU 14 N 0.00 1.03 -1.37 1.04 7.12 -1.65 -2.96 115.31 118.53 1fdh h LEU 14 Ca -0.23 -0.37 -0.03 0.00 0.13 0.00 0.00 57.88 57.37 1fdh h LEU 14 Cb 1.75 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.60 1fdh h LEU 14 CO 0.05 1.17 -0.15 -0.25 -0.13 0.00 0.00 178.44 179.13 1fdh h TRP 15 N 0.88 0.00 0.00 1.25 2.91 -1.61 -2.62 115.95 116.76 1fdh h TRP 15 Ca 0.13 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1fdh h TRP 15 Cb 0.74 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1fdh h TRP 15 CO 0.05 0.15 0.00 0.41 -1.03 0.00 0.00 178.44 178.02 1fdh n GLY 16 N -0.04 -1.44 0.03 2.65 0.00 -1.12 -2.18 105.19 103.09 1fdh n GLY 16 Ca -0.00 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1fdh n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fdh n LYS 17 N -2.13 0.29 -2.58 1.61 5.02 -0.99 -4.95 118.16 114.43 1fdh n LYS 17 Ca 0.04 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1fdh n LYS 17 Cb 0.31 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1fdh n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fdh s VAL 18 N -3.20 4.21 -0.54 -0.18 1.01 -0.93 -4.98 120.40 115.79 1fdh s VAL 18 Ca 0.03 1.77 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 1fdh s VAL 18 Cb 0.14 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1fdh s VAL 18 CO 0.81 0.24 0.64 0.21 0.00 0.00 0.00 175.10 177.00 1fdh s ASN 19 N 0.30 6.20 0.17 3.32 3.84 -1.26 -4.92 114.94 122.58 1fdh s ASN 19 Ca 0.51 -1.20 -0.14 0.00 0.21 0.00 0.00 52.86 52.24 1fdh s ASN 19 Cb -0.27 -2.29 0.10 0.00 -0.55 0.00 0.00 41.25 38.25 1fdh s ASN 19 CO 0.31 -0.97 1.79 0.58 -2.79 0.00 0.00 177.10 176.02 1fdh h VAL 20 N 5.88 0.98 -0.52 -5.21 2.07 -1.93 -2.12 116.25 115.39 1fdh h VAL 20 Ca -0.28 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1fdh h VAL 20 Cb 1.09 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 1fdh h VAL 20 CO 1.02 0.09 0.16 -0.33 0.02 0.00 0.00 177.57 178.53 1fdh h GLU 21 N 0.48 0.31 0.00 1.57 3.07 -1.91 -1.62 114.58 116.49 1fdh h GLU 21 Ca 0.20 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1fdh h GLU 21 Cb 0.09 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1fdh h GLU 21 CO -0.13 0.21 -0.28 0.22 -1.40 0.00 0.00 179.01 177.63 1fdh h ASP 22 N 0.32 0.00 1.03 1.42 -0.00 -1.93 -3.06 116.42 114.20 1fdh h ASP 22 Ca 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.21 1fdh h ASP 22 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.63 1fdh h ASP 22 CO -0.29 0.01 -1.02 0.00 -0.00 0.00 0.00 179.24 177.94 1fdh h ALA 23 N 1.99 0.62 0.09 -0.78 0.00 -1.23 -3.21 119.26 116.74 1fdh h ALA 23 Ca -0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 54.91 54.25 1fdh h ALA 23 Cb 1.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1fdh h ALA 23 CO 0.00 0.43 -1.37 0.78 0.00 0.00 0.00 179.25 179.09 1fdh h GLY 24 N 3.83 0.21 2.00 0.00 0.00 -1.38 -2.66 103.07 105.08 1fdh h GLY 24 Ca -0.06 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1fdh h GLY 24 CO 0.03 0.47 -0.34 -1.33 0.00 0.00 0.00 176.54 175.36 1fdh h GLY 25 N 2.09 0.00 1.10 4.60 0.00 -1.65 -2.73 103.07 106.48 1fdh h GLY 25 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.92 1fdh h GLY 25 CO 0.16 0.00 -0.93 0.83 0.00 0.00 0.00 176.54 176.60 1fdh h GLU 26 N 0.00 0.64 -0.00 4.80 4.39 -1.54 -2.46 114.58 120.40 1fdh h GLU 26 Ca -0.00 -0.68 -0.26 0.00 0.34 0.00 0.00 59.36 58.76 1fdh h GLU 26 Cb 0.67 0.19 0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1fdh h GLU 26 CO 0.04 1.27 -1.01 1.79 -1.16 0.00 0.00 179.01 179.95 1fdh h THR 27 N 0.28 1.29 -0.32 1.13 1.35 -1.44 -0.35 112.91 114.84 1fdh h THR 27 Ca -0.11 -2.23 -0.11 0.00 -0.55 0.00 0.00 66.41 63.41 1fdh h THR 27 Cb 1.59 2.39 -0.01 0.00 -1.73 0.00 0.00 68.15 70.39 1fdh h THR 27 CO 0.18 0.69 -0.27 0.25 -0.25 0.00 0.00 175.52 176.12 1fdh h LEU 28 N 0.36 0.65 -0.47 3.87 5.85 -1.64 0.16 115.31 124.10 1fdh h LEU 28 Ca -0.13 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1fdh h LEU 28 Cb 1.67 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 1fdh h LEU 28 CO 0.20 0.90 0.06 1.23 -0.34 0.00 0.00 178.44 180.49 1fdh h GLY 29 N 1.00 0.85 2.00 3.75 0.00 -1.36 -2.16 103.07 107.15 1fdh h GLY 29 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1fdh h GLY 29 CO 0.06 0.54 0.00 3.21 0.00 0.00 0.00 176.54 180.34 1fdh h ARG 30 N 0.65 0.00 -0.03 4.80 3.08 -0.72 -2.82 114.38 119.34 1fdh h ARG 30 Ca 0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1fdh h ARG 30 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1fdh h ARG 30 CO 0.01 0.00 -0.25 1.25 -1.07 0.00 0.00 179.97 179.91 1fdh h LEU 31 N 0.00 0.28 -1.91 3.04 5.85 -0.51 -0.83 115.31 121.24 1fdh h LEU 31 Ca 0.00 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.02 1fdh h LEU 31 Cb 0.86 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1fdh h LEU 31 CO 0.00 0.93 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.92 1fdh h LEU 32 N -0.35 0.01 0.09 2.25 4.07 -1.35 -1.54 115.31 118.48 1fdh h LEU 32 Ca -0.02 -0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.61 1fdh h LEU 32 Cb 0.94 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 1fdh h LEU 32 CO 0.05 0.05 -1.75 0.58 -1.08 0.00 0.00 178.44 176.29 1fdh h VAL 33 N 0.01 0.88 0.08 1.22 2.07 -1.42 -3.15 116.25 115.94 1fdh h VAL 33 Ca 0.00 -2.61 -0.29 0.00 0.82 0.00 0.00 66.70 64.63 1fdh h VAL 33 Cb 0.08 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1fdh h VAL 33 CO 0.01 0.76 -1.47 0.58 0.02 0.00 0.00 177.57 177.47 1fdh h VAL 34 N 0.05 1.20 -2.25 2.57 2.07 -1.12 -3.36 116.25 115.41 1fdh h VAL 34 Ca -0.32 -2.88 -0.58 0.00 0.82 0.00 0.00 66.70 63.74 1fdh h VAL 34 Cb 2.02 2.73 -0.42 0.00 -1.52 0.00 0.00 31.29 34.10 1fdh h VAL 34 CO 0.11 0.80 -0.71 -1.22 0.02 0.00 0.00 177.57 176.57 1fdh n TYR 35 N -3.38 3.56 0.00 1.57 4.01 -0.59 -4.97 117.16 117.36 1fdh n TYR 35 Ca -0.14 -3.98 0.00 0.00 -0.16 0.00 0.00 57.90 53.63 1fdh n TYR 35 Cb 1.03 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1fdh n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1fdh n PRO 36 N -0.18 0.00 -0.11 -0.72 -0.04 -1.19 -1.18 135.00 131.58 1fdh n PRO 36 Ca 0.30 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1fdh n PRO 36 Cb 0.43 -1.80 0.32 0.00 -0.04 0.00 0.00 33.50 32.41 1fdh n PRO 36 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1fdh n TRP 37 N -0.85 0.29 0.12 0.54 2.14 -1.26 -2.49 117.44 115.93 1fdh n TRP 37 Ca 0.00 -0.14 0.10 0.00 2.07 0.00 0.00 57.50 59.53 1fdh n TRP 37 Cb 0.30 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.82 1fdh n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1fdh h THR 38 N 2.64 0.06 -0.92 -1.67 1.35 -1.45 -2.88 112.91 110.05 1fdh h THR 38 Ca 0.00 -1.12 0.25 0.00 -0.55 0.00 0.00 66.41 64.99 1fdh h THR 38 Cb 0.58 1.64 -0.14 0.00 -1.73 0.00 0.00 68.15 68.51 1fdh h THR 38 CO 0.00 0.04 0.39 -0.61 -0.25 0.00 0.00 175.52 175.08 1fdh h GLN 39 N 0.00 0.31 -0.07 4.72 4.15 -1.68 -2.61 115.11 119.93 1fdh h GLN 39 Ca -0.02 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.41 1fdh h GLN 39 Cb 1.06 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1fdh h GLN 39 CO 0.01 0.21 0.03 -2.13 -1.93 0.00 0.00 178.83 175.02 1fdh n ARG 40 N -5.11 -0.00 -0.21 1.69 0.63 -1.09 0.04 116.66 112.61 1fdh n ARG 40 Ca 0.24 0.10 0.10 0.00 -0.92 0.00 0.00 57.85 57.37 1fdh n ARG 40 Cb 0.75 -0.17 0.27 0.00 0.45 0.00 0.00 32.46 33.75 1fdh n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1fdh n PHE 41 N -3.23 0.55 -2.65 -0.14 3.01 -0.98 -4.74 117.46 109.28 1fdh n PHE 41 Ca 0.03 -0.27 -0.08 0.00 1.01 0.00 0.00 57.45 58.13 1fdh n PHE 41 Cb 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 1fdh n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1fdh n PHE 42 N 1.09 1.58 -0.74 1.38 3.01 0.11 -4.83 117.46 119.06 1fdh n PHE 42 Ca 0.18 -2.44 -0.19 0.00 1.01 0.00 0.00 57.45 56.02 1fdh n PHE 42 Cb 0.49 -0.28 0.12 0.00 -0.01 0.00 0.00 39.48 39.80 1fdh n PHE 42 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1fdh n ASP 43 N -0.43 4.22 -0.01 4.37 3.85 -1.26 -1.87 116.55 125.42 1fdh n ASP 43 Ca 0.15 -3.24 0.09 0.00 -0.71 0.00 0.00 54.79 51.08 1fdh n ASP 43 Cb 0.82 -0.80 -0.14 0.00 -1.35 0.00 0.00 41.12 39.65 1fdh n ASP 43 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1fdh n SER 44 N -0.64 0.95 -0.00 -1.12 2.88 -1.26 -4.49 113.62 109.94 1fdh n SER 44 Ca 0.45 -0.04 0.15 0.00 -1.33 0.00 0.00 58.87 58.10 1fdh n SER 44 Cb 1.23 1.77 0.75 0.00 -0.75 0.00 0.00 64.21 67.21 1fdh n SER 44 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1fdh n PHE 45 N -2.08 0.00 -0.72 0.66 0.99 -0.78 -5.08 117.46 110.45 1fdh n PHE 45 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1fdh n PHE 45 Cb 0.45 -0.30 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 1fdh n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fdh n GLY 46 N 1.30 0.52 3.58 1.37 0.00 -1.26 -4.79 105.19 105.92 1fdh n GLY 46 Ca 0.14 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1fdh n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fdh s ASN 47 N -4.00 5.42 -0.10 1.61 3.04 -1.26 -4.76 114.94 114.89 1fdh s ASN 47 Ca 0.00 1.30 0.15 0.00 0.04 0.00 0.00 52.86 54.35 1fdh s ASN 47 Cb 0.00 -2.52 0.23 0.00 -1.54 0.00 0.00 41.25 37.42 1fdh s ASN 47 CO 0.00 -2.08 1.12 0.18 -3.04 0.00 0.00 177.10 173.27 1fdh n LEU 48 N 12.02 2.23 0.08 3.21 4.77 -1.26 -4.24 117.00 133.81 1fdh n LEU 48 Ca 0.27 -2.83 0.13 0.00 -0.03 0.00 0.00 56.01 53.55 1fdh n LEU 48 Cb 0.48 -0.34 0.46 0.00 -2.33 0.00 0.00 43.42 41.70 1fdh n LEU 48 CO 0.69 0.66 0.90 -1.54 -1.33 0.00 0.00 177.39 176.76 1fdh n SER 49 N -1.23 0.58 -4.04 -1.43 3.41 -1.26 -4.81 113.62 104.85 1fdh n SER 49 Ca 0.13 0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 59.22 1fdh n SER 49 Cb 0.56 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 1fdh n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fdh s SER 50 N -4.10 0.40 0.57 4.04 1.04 -1.26 -5.02 113.70 109.38 1fdh s SER 50 Ca 0.11 -0.88 0.25 0.00 0.48 0.00 0.00 55.95 55.91 1fdh s SER 50 Cb 0.14 0.21 1.64 0.00 0.10 0.00 0.00 66.02 68.11 1fdh s SER 50 CO 0.56 -0.58 2.22 0.00 0.98 0.00 0.00 173.24 176.41 1fdh h ALA 51 N 3.28 1.65 0.03 5.32 0.00 -1.98 -2.36 119.26 125.21 1fdh h ALA 51 Ca -0.34 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1fdh h ALA 51 Cb 1.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1fdh h ALA 51 CO 0.61 0.01 -0.98 0.77 0.00 0.00 0.00 179.25 179.66 1fdh h SER 52 N 0.00 0.22 0.78 0.00 0.02 -1.98 -2.62 113.55 109.96 1fdh h SER 52 Ca -0.00 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.61 1fdh h SER 52 Cb 0.02 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1fdh h SER 52 CO 0.00 1.07 -0.67 0.00 -1.14 0.00 0.00 176.83 176.09 1fdh h ALA 53 N 0.91 0.82 0.24 3.77 0.00 -1.76 -3.10 119.26 120.14 1fdh h ALA 53 Ca -0.05 -0.61 -0.32 0.00 0.00 0.00 0.00 54.91 53.92 1fdh h ALA 53 Cb 1.67 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 19.39 1fdh h ALA 53 CO 0.15 0.84 -1.42 -0.84 0.00 0.00 0.00 179.25 177.98 1fdh h ILE 54 N 0.00 1.30 0.00 0.00 3.07 -1.53 -1.92 117.51 118.43 1fdh h ILE 54 Ca -0.01 -2.67 0.00 0.00 1.55 0.00 0.00 64.86 63.73 1fdh h ILE 54 Cb 1.24 3.05 0.00 0.00 -0.27 0.00 0.00 36.82 40.83 1fdh h ILE 54 CO 0.09 0.80 0.00 0.23 -1.05 0.00 0.00 178.15 178.22 1fdh n MET 55 N -3.76 0.20 -0.00 0.16 2.81 -0.99 -2.66 117.12 112.88 1fdh n MET 55 Ca -0.17 0.39 0.06 0.00 -1.81 0.00 0.00 57.70 56.18 1fdh n MET 55 Cb 1.08 -1.86 -0.08 0.00 -0.71 0.00 0.00 33.22 31.65 1fdh n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fdh n GLY 56 N 0.21 -0.32 3.69 3.03 0.00 -1.17 -4.95 105.19 105.68 1fdh n GLY 56 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1fdh n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fdh s ASN 57 N -2.40 6.66 0.50 1.61 3.84 -0.72 -4.90 114.94 119.52 1fdh s ASN 57 Ca 0.04 2.41 0.29 0.00 0.21 0.00 0.00 52.86 55.81 1fdh s ASN 57 Cb 0.10 -2.57 1.02 0.00 -0.55 0.00 0.00 41.25 39.26 1fdh s ASN 57 CO 0.56 -0.84 1.86 1.55 -2.79 0.00 0.00 177.10 177.44 1fdh h PRO 58 N 8.04 0.00 0.01 0.43 0.13 -1.90 -1.66 132.00 137.05 1fdh h PRO 58 Ca -0.42 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.48 1fdh h PRO 58 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1fdh h PRO 58 CO 0.92 0.07 -0.98 -0.22 -0.23 0.00 0.00 178.00 177.56 1fdh h LYS 59 N 0.00 0.42 0.00 0.86 3.64 -1.90 -0.73 116.57 118.86 1fdh h LYS 59 Ca -0.00 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1fdh h LYS 59 Cb 0.69 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1fdh h LYS 59 CO 0.01 1.13 -0.00 0.28 -2.27 0.00 0.00 179.45 178.60 1fdh h VAL 60 N 0.23 1.32 -0.96 2.00 2.07 -1.85 -2.05 116.25 117.00 1fdh h VAL 60 Ca -0.09 -0.93 0.13 0.00 0.82 0.00 0.00 66.70 66.63 1fdh h VAL 60 Cb 1.62 1.95 -0.08 0.00 -1.52 0.00 0.00 31.29 33.26 1fdh h VAL 60 CO 0.17 0.24 0.61 0.11 0.02 0.00 0.00 177.57 178.72 1fdh h LYS 61 N -0.40 0.85 -0.15 1.57 1.57 -1.24 0.13 116.57 118.90 1fdh h LYS 61 Ca -0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1fdh h LYS 61 Cb 0.40 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1fdh h LYS 61 CO 0.00 0.56 -0.15 0.00 -0.57 0.00 0.00 179.45 179.29 1fdh h ALA 62 N 1.57 0.22 0.00 3.86 0.00 -0.92 -2.86 119.26 121.13 1fdh h ALA 62 Ca 0.48 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1fdh h ALA 62 Cb 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1fdh h ALA 62 CO -0.25 0.11 -0.12 1.25 0.00 0.00 0.00 179.25 180.24 1fdh h HIS 63 N -0.01 0.00 -0.34 0.00 -0.00 -1.25 -1.80 115.15 111.76 1fdh h HIS 63 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1fdh h HIS 63 Cb 0.69 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.08 1fdh h HIS 63 CO 0.09 0.12 0.16 0.78 -0.00 0.00 0.00 177.93 179.07 1fdh h GLY 64 N 3.24 0.52 2.00 5.26 0.00 -0.94 0.23 103.07 113.39 1fdh h GLY 64 Ca -0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1fdh h GLY 64 CO 0.02 0.25 -0.73 1.70 0.00 0.00 0.00 176.54 177.78 1fdh h LYS 65 N 0.40 0.00 0.04 4.80 3.64 -1.28 -2.27 116.57 121.89 1fdh h LYS 65 Ca 0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1fdh h LYS 65 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1fdh h LYS 65 CO -0.01 0.73 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.66 1fdh h LYS 66 N 0.00 -0.05 0.03 1.90 3.64 -0.95 -1.16 116.57 119.98 1fdh h LYS 66 Ca -0.01 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1fdh h LYS 66 Cb 1.36 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1fdh h LYS 66 CO 0.09 0.08 -0.09 0.28 -2.27 0.00 0.00 179.45 177.54 1fdh h VAL 67 N -0.17 0.78 0.00 2.00 2.07 -0.91 -2.05 116.25 117.97 1fdh h VAL 67 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1fdh h VAL 67 Cb 0.15 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1fdh h VAL 67 CO 0.01 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.77 1fdh h LEU 68 N -0.17 0.00 0.06 2.57 7.12 -1.26 -1.15 115.31 122.47 1fdh h LEU 68 Ca 0.02 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.77 1fdh h LEU 68 Cb 0.20 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 1fdh h LEU 68 CO -0.07 0.08 -1.37 0.74 -0.13 0.00 0.00 178.44 177.69 1fdh h THR 69 N 0.00 1.31 -0.98 1.05 2.02 -1.09 0.12 112.91 115.34 1fdh h THR 69 Ca -0.00 -3.01 0.00 0.00 0.77 0.00 0.00 66.41 64.17 1fdh h THR 69 Cb 0.27 2.74 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 1fdh h THR 69 CO 0.01 0.81 0.62 -1.28 0.37 0.00 0.00 175.52 176.05 1fdh h SER 70 N 0.03 1.15 0.36 4.18 0.87 -0.60 -2.21 113.55 117.33 1fdh h SER 70 Ca -0.17 -0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.14 1fdh h SER 70 Cb 1.93 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1fdh h SER 70 CO 0.14 0.86 -0.87 0.25 -0.53 0.00 0.00 176.83 176.67 1fdh h LEU 71 N 1.34 0.47 -0.34 2.23 5.85 -0.99 -3.26 115.31 120.60 1fdh h LEU 71 Ca 0.35 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1fdh h LEU 71 Cb -0.11 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1fdh h LEU 71 CO -0.07 1.14 0.20 1.23 -0.34 0.00 0.00 178.44 180.60 1fdh h GLY 72 N 1.36 0.47 1.71 3.75 0.00 -0.39 -2.03 103.07 107.95 1fdh h GLY 72 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1fdh h GLY 72 CO 0.15 0.14 0.14 -0.55 0.00 0.00 0.00 176.54 176.42 1fdh h ASP 73 N 0.42 0.00 1.04 0.19 5.19 -1.45 -0.23 116.42 121.57 1fdh h ASP 73 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1fdh h ASP 73 Cb -0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1fdh h ASP 73 CO -0.06 0.00 -0.84 0.00 -3.12 0.00 0.00 179.24 175.23 1fdh h ALA 74 N 1.73 0.55 -0.17 3.45 0.00 -1.44 -3.15 119.26 120.24 1fdh h ALA 74 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1fdh h ALA 74 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1fdh h ALA 74 CO -0.00 0.00 0.13 0.82 0.00 0.00 0.00 179.25 180.20 1fdh h ILE 75 N 0.00 0.83 0.00 0.00 1.08 -0.85 -1.20 117.51 117.37 1fdh h ILE 75 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1fdh h ILE 75 Cb 0.94 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1fdh h ILE 75 CO 0.00 0.00 0.00 0.11 -0.69 0.00 0.00 178.15 177.57 1fdh h LYS 76 N 0.00 0.00 -2.13 2.37 1.57 -1.63 -3.29 116.57 113.46 1fdh h LYS 76 Ca 0.08 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.33 1fdh h LYS 76 Cb 0.34 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.24 1fdh h LYS 76 CO -0.00 0.00 -0.95 0.72 -0.57 0.00 0.00 179.45 178.65 1fdh n HIS 77 N -2.61 1.91 0.32 -1.35 8.25 -0.46 -4.82 115.22 116.46 1fdh n HIS 77 Ca 0.03 -3.90 0.15 0.00 -0.26 0.00 0.00 57.72 53.74 1fdh n HIS 77 Cb 0.37 -0.45 0.65 0.00 1.12 0.00 0.00 29.99 31.67 1fdh n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1fdh h LEU 78 N 3.00 0.00 -0.62 2.41 5.85 -1.61 -2.72 115.31 121.63 1fdh h LEU 78 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1fdh h LEU 78 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1fdh h LEU 78 CO 0.64 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.18 1fdh h ASP 79 N 0.00 0.00 -1.07 1.25 3.45 -1.88 -3.39 116.42 114.77 1fdh h ASP 79 Ca 0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 1fdh h ASP 79 Cb 0.33 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 38.92 1fdh h ASP 79 CO 0.00 0.00 -0.50 -0.62 -1.57 0.00 0.00 179.24 176.55 1fdh s ASP 80 N -5.45 -1.31 0.31 6.45 2.15 -1.03 -4.98 116.67 112.81 1fdh s ASP 80 Ca 0.05 -1.52 0.16 0.00 0.43 0.00 0.00 52.55 51.68 1fdh s ASP 80 Cb 0.08 1.81 0.15 0.00 -0.30 0.00 0.00 42.92 44.66 1fdh s ASP 80 CO 0.57 -0.09 1.49 -0.07 -0.17 0.00 0.00 175.17 176.90 1fdh h LEU 81 N 5.62 0.00 -0.63 -1.34 3.38 -1.77 -2.95 115.31 117.62 1fdh h LEU 81 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1fdh h LEU 81 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1fdh h LEU 81 CO 0.05 0.43 0.06 0.11 0.09 0.00 0.00 178.44 179.19 1fdh h LYS 82 N 0.00 1.07 -0.01 1.13 1.57 -1.90 -1.24 116.57 117.19 1fdh h LYS 82 Ca -0.00 -0.31 -0.17 0.00 -1.87 0.00 0.00 60.65 58.30 1fdh h LYS 82 Cb 1.30 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1fdh h LYS 82 CO 0.06 1.01 -0.77 0.78 -0.57 0.00 0.00 179.45 179.96 1fdh h GLY 83 N 0.99 0.10 1.74 3.86 0.00 -1.95 -2.44 103.07 105.37 1fdh h GLY 83 Ca 0.19 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 1fdh h GLY 83 CO 0.02 0.15 -0.52 -0.84 0.00 0.00 0.00 176.54 175.35 1fdh h THR 84 N 0.06 1.35 -0.30 4.70 2.02 -1.30 -3.33 112.91 116.10 1fdh h THR 84 Ca -0.02 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1fdh h THR 84 Cb 1.36 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1fdh h THR 84 CO 0.11 0.53 0.00 0.49 0.37 0.00 0.00 175.52 177.02 1fdh n PHE 85 N -3.94 0.40 -0.16 3.16 3.01 -0.50 -4.73 117.46 114.70 1fdh n PHE 85 Ca -0.02 -0.42 0.15 0.00 1.01 0.00 0.00 57.45 58.17 1fdh n PHE 85 Cb 0.56 -0.02 0.50 0.00 -0.01 0.00 0.00 39.48 40.51 1fdh n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fdh h ALA 86 N 2.10 2.09 0.14 4.37 0.00 -1.55 0.22 119.26 126.63 1fdh h ALA 86 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1fdh h ALA 86 Cb 0.70 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1fdh h ALA 86 CO 0.00 -0.28 -1.27 0.37 0.00 0.00 0.00 179.25 178.07 1fdh h GLN 87 N 0.43 0.45 0.00 0.00 5.75 -1.87 -2.01 115.11 117.86 1fdh h GLN 87 Ca 0.36 -0.67 -0.10 0.00 -0.15 0.00 0.00 58.65 58.08 1fdh h GLN 87 Cb 0.80 0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1fdh h GLN 87 CO -0.11 1.30 -0.49 -0.07 -2.65 0.00 0.00 178.83 176.81 1fdh h LEU 88 N 0.17 0.00 0.10 -2.39 3.38 -1.72 -1.80 115.31 113.04 1fdh h LEU 88 Ca -0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1fdh h LEU 88 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1fdh h LEU 88 CO 0.23 0.49 -0.05 -1.28 0.09 0.00 0.00 178.44 177.91 1fdh h SER 89 N 0.00 -0.12 -0.92 -0.43 0.87 -0.58 -2.03 113.55 110.34 1fdh h SER 89 Ca -0.00 -0.46 0.14 0.00 -1.23 0.00 0.00 61.79 60.23 1fdh h SER 89 Cb 1.02 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.92 1fdh h SER 89 CO 0.06 0.48 0.54 -0.08 -0.53 0.00 0.00 176.83 177.30 1fdh h GLU 90 N -0.80 0.78 -0.22 2.24 4.81 -1.33 -1.96 114.58 118.10 1fdh h GLU 90 Ca -0.01 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1fdh h GLU 90 Cb 0.57 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1fdh h GLU 90 CO 0.02 0.51 -0.30 1.25 -0.73 0.00 0.00 179.01 179.77 1fdh h LEU 91 N 0.80 0.46 -0.50 1.64 5.85 -1.30 -0.55 115.31 121.70 1fdh h LEU 91 Ca 0.49 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 1fdh h LEU 91 Cb 0.60 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1fdh h LEU 91 CO -0.31 0.74 -0.29 0.45 -0.34 0.00 0.00 178.44 178.68 1fdh h HIS 92 N 0.39 0.00 0.00 1.25 3.86 -0.64 -2.38 115.15 117.64 1fdh h HIS 92 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1fdh h HIS 92 Cb 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1fdh h HIS 92 CO 0.02 0.29 -0.03 0.00 0.86 0.00 0.00 177.93 179.08 1fdh h ASP 94 N -0.09 0.60 0.00 0.00 3.32 -1.24 -3.16 116.42 115.86 1fdh h ASP 94 Ca 0.00 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1fdh h ASP 94 Cb 0.03 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1fdh h ASP 94 CO 0.00 0.36 -1.54 0.29 -1.72 0.00 0.00 179.24 176.63 1fdh n LYS 95 N -4.49 1.35 0.00 3.56 4.76 -0.94 -4.79 118.16 117.61 1fdh n LYS 95 Ca 0.12 0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.56 1fdh n LYS 95 Cb 0.32 -1.20 -0.11 0.00 -1.84 0.00 0.00 35.03 32.21 1fdh n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1fdh n LEU 96 N -2.56 0.81 -3.53 -0.35 4.77 -0.94 -5.01 117.00 110.19 1fdh n LEU 96 Ca -0.15 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.01 1fdh n LEU 96 Cb 0.71 0.13 0.07 0.00 -2.33 0.00 0.00 43.42 42.00 1fdh n LEU 96 CO 0.13 0.25 0.06 1.41 -1.33 0.00 0.00 177.39 177.91 1fdh n HIS 97 N -2.93 -2.14 -3.49 -1.77 8.25 -0.16 -4.99 115.22 107.99 1fdh n HIS 97 Ca -0.13 0.91 -0.37 0.00 -0.26 0.00 0.00 57.72 57.87 1fdh n HIS 97 Cb 0.93 -4.86 -0.07 0.00 1.12 0.00 0.00 29.99 27.11 1fdh n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fdh s VAL 98 N -3.45 5.28 -0.17 1.59 1.01 -0.87 -5.01 120.40 118.77 1fdh s VAL 98 Ca 0.04 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 1fdh s VAL 98 Cb -0.02 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1fdh s VAL 98 CO 0.76 0.35 1.82 -0.62 0.00 0.00 0.00 175.10 177.40 1fdh s ASP 99 N 0.67 6.18 0.00 3.32 3.68 -1.26 -4.77 116.67 124.48 1fdh s ASP 99 Ca 0.17 1.87 0.00 0.00 2.13 0.00 0.00 52.55 56.72 1fdh s ASP 99 Cb -0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.81 1fdh s ASP 99 CO 0.05 -1.38 0.86 -0.81 0.13 0.00 0.00 175.17 174.02 1fdh n PRO 100 N 7.90 0.00 0.26 4.34 -0.04 -1.26 -0.48 135.00 145.72 1fdh n PRO 100 Ca 0.21 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 1fdh n PRO 100 Cb 0.44 -1.55 0.72 0.00 -0.04 0.00 0.00 33.50 33.08 1fdh n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1fdh h GLU 101 N 0.00 0.00 0.00 0.54 4.57 -1.98 -2.16 114.58 115.55 1fdh h GLU 101 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1fdh h GLU 101 Cb 0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1fdh h GLU 101 CO 0.00 0.11 -0.28 -0.91 -1.18 0.00 0.00 179.01 176.75 1fdh h ASN 102 N 0.00 0.00 -0.74 1.04 -0.26 -1.15 -2.55 115.58 111.92 1fdh h ASN 102 Ca -0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1fdh h ASN 102 Cb 0.28 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 1fdh h ASN 102 CO 0.01 0.28 0.30 -0.26 -1.06 0.00 0.00 177.43 176.70 1fdh h PHE 103 N 0.00 1.13 -0.33 1.19 0.04 -1.60 0.59 116.94 117.97 1fdh h PHE 103 Ca -0.00 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.61 1fdh h PHE 103 Cb 0.50 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1fdh h PHE 103 CO 0.00 0.85 -0.09 0.87 -0.60 0.00 0.00 178.31 179.34 1fdh h LYS 104 N 1.09 0.64 -0.91 1.51 1.57 -1.58 0.80 116.57 119.68 1fdh h LYS 104 Ca 0.25 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1fdh h LYS 104 Cb 0.20 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1fdh h LYS 104 CO -0.02 0.82 0.60 -0.07 -0.57 0.00 0.00 179.45 180.21 1fdh h LEU 105 N 0.41 1.03 -0.41 2.94 3.38 -1.02 -1.73 115.31 119.91 1fdh h LEU 105 Ca 0.08 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1fdh h LEU 105 Cb 0.60 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1fdh h LEU 105 CO 0.04 0.73 -0.80 0.25 0.09 0.00 0.00 178.44 178.75 1fdh h LEU 106 N 1.21 0.01 -0.77 1.67 5.85 -0.76 -2.73 115.31 119.78 1fdh h LEU 106 Ca 0.34 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1fdh h LEU 106 Cb -0.10 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1fdh h LEU 106 CO -0.09 0.80 0.40 1.23 -0.34 0.00 0.00 178.44 180.45 1fdh h GLY 107 N 2.36 1.17 2.00 3.75 0.00 -0.16 -1.23 103.07 110.96 1fdh h GLY 107 Ca -0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 1fdh h GLY 107 CO 0.10 0.52 -0.48 3.43 0.00 0.00 0.00 176.54 180.12 1fdh h ASN 108 N 1.07 0.00 -0.02 0.19 2.35 -1.26 -2.67 115.58 115.25 1fdh h ASN 108 Ca 0.27 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.78 1fdh h ASN 108 Cb 0.07 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.45 1fdh h ASN 108 CO -0.04 0.48 -0.91 0.58 -1.65 0.00 0.00 177.43 175.89 1fdh h VAL 109 N 0.00 1.29 0.00 2.81 2.07 -1.23 -2.83 116.25 118.36 1fdh h VAL 109 Ca -0.00 -2.14 -0.05 0.00 0.82 0.00 0.00 66.70 65.32 1fdh h VAL 109 Cb 1.14 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1fdh h VAL 109 CO 0.06 0.67 -0.23 0.25 0.02 0.00 0.00 177.57 178.34 1fdh h LEU 110 N 0.44 0.00 -0.39 2.57 5.85 -1.14 0.11 115.31 122.76 1fdh h LEU 110 Ca -0.09 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.45 1fdh h LEU 110 Cb 1.55 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 1fdh h LEU 110 CO 0.18 0.23 -0.75 0.58 -0.34 0.00 0.00 178.44 178.34 1fdh h VAL 111 N 0.00 1.39 -0.46 1.05 2.07 -1.45 -2.19 116.25 116.65 1fdh h VAL 111 Ca -0.00 -2.19 -0.10 0.00 0.82 0.00 0.00 66.70 65.23 1fdh h VAL 111 Cb 0.41 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1fdh h VAL 111 CO 0.03 0.66 -0.11 0.74 0.02 0.00 0.00 177.57 178.91 1fdh h THR 112 N 0.26 1.27 0.00 2.57 2.02 -0.97 -2.03 112.91 116.03 1fdh h THR 112 Ca -0.03 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 1fdh h THR 112 Cb 1.33 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1fdh h THR 112 CO 0.13 0.42 -0.39 0.58 0.37 0.00 0.00 175.52 176.63 1fdh h VAL 113 N 0.72 1.09 -0.02 3.16 2.07 -0.74 -1.41 116.25 121.11 1fdh h VAL 113 Ca 0.12 -1.44 -0.18 0.00 0.82 0.00 0.00 66.70 66.02 1fdh h VAL 113 Cb 0.65 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1fdh h VAL 113 CO 0.04 0.38 -0.77 -0.07 0.02 0.00 0.00 177.57 177.18 1fdh h LEU 114 N 0.00 0.24 -0.19 2.57 3.38 -1.21 -1.87 115.31 118.23 1fdh h LEU 114 Ca -0.00 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.61 1fdh h LEU 114 Cb 0.79 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1fdh h LEU 114 CO 0.05 0.92 -0.58 0.00 0.09 0.00 0.00 178.44 178.92 1fdh h ALA 115 N 1.07 0.33 -0.19 1.53 0.00 -0.96 -1.93 119.26 119.11 1fdh h ALA 115 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1fdh h ALA 115 Cb 1.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1fdh h ALA 115 CO 0.12 0.57 0.12 0.82 0.00 0.00 0.00 179.25 180.88 1fdh h ILE 116 N 0.45 1.06 -0.13 0.00 2.04 -1.20 -0.87 117.51 118.86 1fdh h ILE 116 Ca -0.02 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1fdh h ILE 116 Cb 1.21 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1fdh h ILE 116 CO 0.12 0.06 0.01 -0.74 0.00 0.00 0.00 178.15 177.60 1fdh h HIS 117 N 0.25 0.23 -0.10 1.37 2.76 -1.32 -3.33 115.15 115.02 1fdh h HIS 117 Ca 0.07 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1fdh h HIS 117 Cb -0.01 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1fdh h HIS 117 CO -0.06 0.43 0.00 1.19 -1.30 0.00 0.00 177.93 178.19 1fdh n PHE 118 N -4.80 0.10 0.00 5.26 3.01 -0.73 -5.03 117.46 115.27 1fdh n PHE 118 Ca -0.06 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1fdh n PHE 118 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1fdh n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fdh n GLY 119 N 1.29 2.51 0.16 1.37 0.00 -0.33 -1.04 105.19 109.15 1fdh n GLY 119 Ca 0.17 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.51 1fdh n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fdh n LYS 120 N 14.00 0.16 0.15 1.61 2.85 -1.26 -1.77 118.16 133.90 1fdh n LYS 120 Ca 0.00 0.58 0.01 0.00 -1.05 0.00 0.00 58.31 57.85 1fdh n LYS 120 Cb 0.00 -1.96 0.23 0.00 -0.65 0.00 0.00 35.03 32.65 1fdh n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1fdh h GLU 121 N 0.00 0.00 -5.23 -1.58 4.81 -1.48 -3.34 114.58 107.76 1fdh h GLU 121 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1fdh h GLU 121 Cb 0.11 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.35 1fdh h GLU 121 CO 0.00 0.53 1.64 0.12 -0.73 0.00 0.00 179.01 180.57 1fdh s PHE 122 N -3.60 3.17 0.48 0.92 5.36 -0.73 -4.95 117.98 118.63 1fdh s PHE 122 Ca -0.01 -1.85 -0.14 0.00 -0.96 0.00 0.00 56.93 53.98 1fdh s PHE 122 Cb 0.12 -4.49 -0.07 0.00 -0.34 0.00 0.00 43.02 38.24 1fdh s PHE 122 CO 0.74 -1.58 0.90 0.95 -1.46 0.00 0.00 175.22 174.77 1fdh s THR 123 N 2.76 4.64 0.40 0.12 -4.23 -1.26 -4.82 115.64 113.26 1fdh s THR 123 Ca 0.46 0.96 0.26 0.00 -1.18 0.00 0.00 61.69 62.19 1fdh s THR 123 Cb -0.00 -3.73 0.43 0.00 1.34 0.00 0.00 72.50 70.53 1fdh s THR 123 CO 0.02 -0.65 1.61 1.55 -0.54 0.00 0.00 174.62 176.60 1fdh h PRO 124 N 0.98 0.07 0.00 3.99 0.13 -1.94 1.15 132.00 136.39 1fdh h PRO 124 Ca -0.47 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1fdh h PRO 124 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1fdh h PRO 124 CO 0.62 0.05 -0.34 1.49 -0.23 0.00 0.00 178.00 179.59 1fdh h GLU 125 N 0.08 0.00 0.00 0.86 4.57 -1.99 -1.95 114.58 116.15 1fdh h GLU 125 Ca 0.83 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.79 1fdh h GLU 125 Cb 2.40 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.96 1fdh h GLU 125 CO -0.56 0.34 -1.24 0.28 -1.18 0.00 0.00 179.01 176.65 1fdh h VAL 126 N 0.00 1.20 -0.16 0.32 2.07 0.92 -3.18 116.25 117.42 1fdh h VAL 126 Ca -0.00 -2.91 -0.09 0.00 0.82 0.00 0.00 66.70 64.52 1fdh h VAL 126 Cb 0.98 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1fdh h VAL 126 CO 0.04 0.68 -0.26 -0.61 0.02 0.00 0.00 177.57 177.45 1fdh h GLN 127 N 0.00 0.45 -0.88 1.57 4.15 -0.93 -2.81 115.11 116.66 1fdh h GLN 127 Ca -0.12 -0.27 0.16 0.00 0.77 0.00 0.00 58.65 59.18 1fdh h GLN 127 Cb 1.80 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 29.45 1fdh h GLN 127 CO 0.10 0.87 0.57 0.00 -1.93 0.00 0.00 178.83 178.44 1fdh h ALA 128 N 0.58 1.92 -0.42 3.38 0.00 -1.42 0.26 119.26 123.57 1fdh h ALA 128 Ca 0.01 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1fdh h ALA 128 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1fdh h ALA 128 CO 0.06 -0.17 -0.31 0.77 0.00 0.00 0.00 179.25 179.60 1fdh h SER 129 N 0.61 1.00 1.44 0.00 0.02 -1.51 -2.63 113.55 112.47 1fdh h SER 129 Ca 0.45 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1fdh h SER 129 Cb 0.82 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1fdh h SER 129 CO -0.20 1.22 0.00 -0.50 -1.14 0.00 0.00 176.83 176.22 1fdh h TRP 130 N 0.78 0.00 0.08 3.45 4.06 -0.70 -1.90 115.95 121.72 1fdh h TRP 130 Ca 0.08 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.78 1fdh h TRP 130 Cb 0.90 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 1fdh h TRP 130 CO 0.06 0.00 -1.13 1.96 -3.56 0.00 0.00 178.44 175.77 1fdh h GLN 131 N 0.00 0.23 -0.32 0.49 1.08 -0.46 0.40 115.11 116.54 1fdh h GLN 131 Ca 0.00 -0.36 -0.09 0.00 -1.45 0.00 0.00 58.65 56.75 1fdh h GLN 131 Cb 0.72 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1fdh h GLN 131 CO 0.00 1.14 -0.16 0.87 -0.95 0.00 0.00 178.83 179.73 1fdh h LYS 132 N 0.08 0.67 0.24 1.46 1.57 -1.19 -1.96 116.57 117.44 1fdh h LYS 132 Ca -0.10 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1fdh h LYS 132 Cb 1.85 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1fdh h LYS 132 CO 0.18 0.89 -0.12 1.98 -0.57 0.00 0.00 179.45 181.81 1fdh h MET 133 N 0.43 -0.32 -0.54 3.15 4.05 -1.25 -1.71 114.93 118.75 1fdh h MET 133 Ca 0.07 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1fdh h MET 133 Cb 0.70 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.54 1fdh h MET 133 CO 0.05 -0.01 0.36 0.28 0.23 0.00 0.00 176.91 177.82 1fdh h VAL 134 N -0.62 1.00 -0.09 -5.77 2.07 -0.97 -0.35 116.25 111.52 1fdh h VAL 134 Ca -0.03 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 1fdh h VAL 134 Cb 0.45 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1fdh h VAL 134 CO 0.05 0.10 -0.71 0.74 0.02 0.00 0.00 177.57 177.77 1fdh h THR 135 N 0.53 1.37 0.00 2.57 2.02 -1.29 -2.23 112.91 115.87 1fdh h THR 135 Ca 0.23 -2.10 -0.11 0.00 0.77 0.00 0.00 66.41 65.20 1fdh h THR 135 Cb 0.25 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1fdh h THR 135 CO -0.06 0.63 -0.52 1.23 0.37 0.00 0.00 175.52 177.18 1fdh h GLY 136 N 1.24 0.00 0.93 2.16 0.00 -0.40 -1.39 103.07 105.61 1fdh h GLY 136 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 1fdh h GLY 136 CO 0.12 0.00 -0.73 -2.08 0.00 0.00 0.00 176.54 173.86 1fdh h VAL 137 N 0.00 1.37 -0.35 4.60 2.07 -1.04 -1.31 116.25 121.59 1fdh h VAL 137 Ca -0.01 -2.10 -0.09 0.00 0.82 0.00 0.00 66.70 65.33 1fdh h VAL 137 Cb 1.20 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1fdh h VAL 137 CO 0.07 0.63 -0.16 0.00 0.02 0.00 0.00 177.57 178.13 1fdh h ALA 138 N 0.37 1.08 -0.38 1.67 0.00 -1.38 -1.10 119.26 119.52 1fdh h ALA 138 Ca -0.09 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1fdh h ALA 138 Cb 1.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1fdh h ALA 138 CO 0.14 0.56 -0.26 1.03 0.00 0.00 0.00 179.25 180.73 1fdh h SER 139 N 0.57 0.80 0.82 0.00 0.87 -1.19 -2.63 113.55 112.79 1fdh h SER 139 Ca 0.09 -0.30 -0.18 0.00 -1.23 0.00 0.00 61.79 60.17 1fdh h SER 139 Cb 0.59 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1fdh h SER 139 CO 0.04 1.02 -0.85 0.00 -0.53 0.00 0.00 176.83 176.51 1fdh h ALA 140 N 1.04 0.60 0.00 6.23 0.00 -0.99 -1.78 119.26 124.36 1fdh h ALA 140 Ca 0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1fdh h ALA 140 Cb 0.78 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fdh h ALA 140 CO 0.06 1.04 -0.04 -0.07 0.00 0.00 0.00 179.25 180.25 1fdh h LEU 141 N 0.01 0.00 -0.28 0.00 3.38 -1.13 -3.10 115.31 114.19 1fdh h LEU 141 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fdh h LEU 141 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1fdh h LEU 141 CO 0.11 0.04 -0.66 -1.54 0.09 0.00 0.00 178.44 176.48 1fdh n SER 142 N -3.13 1.08 -0.32 -0.43 3.41 -1.00 -4.43 113.62 108.79 1fdh n SER 142 Ca 0.01 -1.04 0.33 0.00 -0.26 0.00 0.00 58.87 57.91 1fdh n SER 142 Cb 0.38 0.84 0.71 0.00 -0.26 0.00 0.00 64.21 65.88 1fdh n SER 142 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1fdh h SER 143 N 0.61 0.08 -1.48 4.04 0.02 -1.24 -3.03 113.55 112.55 1fdh h SER 143 Ca 0.00 0.02 -0.64 0.00 -0.84 0.00 0.00 61.79 60.33 1fdh h SER 143 Cb 0.46 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.63 1fdh h SER 143 CO 0.00 0.01 -0.14 0.54 -1.14 0.00 0.00 176.83 176.10 1fdh n ARG 144 N -4.27 3.22 -3.88 3.45 1.74 -1.26 -5.02 116.66 110.64 1fdh n ARG 144 Ca 0.25 -4.09 -0.27 0.00 -0.77 0.00 0.00 57.85 52.97 1fdh n ARG 144 Cb 1.18 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1fdh n ARG 144 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fdh s TYR 145 N -3.72 3.49 0.00 -1.55 4.12 -1.15 -4.51 117.35 114.03 1fdh s TYR 145 Ca 0.51 0.18 0.00 0.00 0.02 0.00 0.00 57.07 57.78 1fdh s TYR 145 Cb 0.42 -1.72 0.00 0.00 -1.52 0.00 0.00 41.96 39.14 1fdh s TYR 145 CO -0.20 0.49 0.00 -2.39 0.02 0.00 0.00 175.55 173.47