#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxv n HIS 2 N 0.00 0.00 -2.88 0.00 -0.00 -1.26 -5.03 115.22 106.04 1dxv n HIS 2 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 1dxv n HIS 2 Cb 0.00 -0.30 -0.07 0.00 -0.00 0.00 0.00 29.99 29.62 1dxv n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1dxv s LEU 3 N -4.20 4.18 0.36 2.41 1.02 -1.26 -5.09 118.68 116.10 1dxv s LEU 3 Ca -0.03 1.66 -0.04 0.00 0.02 0.00 0.00 54.13 55.74 1dxv s LEU 3 Cb 0.03 -4.12 -0.04 0.00 0.02 0.00 0.00 46.19 42.08 1dxv s LEU 3 CO 0.32 -0.16 0.63 -0.89 0.02 0.00 0.00 176.35 176.27 1dxv s THR 4 N -1.82 4.99 0.25 5.49 2.01 -1.26 -4.91 115.64 120.39 1dxv s THR 4 Ca 0.53 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 1dxv s THR 4 Cb -0.14 -3.80 0.23 0.00 0.01 0.00 0.00 72.50 68.80 1dxv s THR 4 CO 0.19 -0.52 1.86 1.55 -0.69 0.00 0.00 174.62 177.01 1dxv h PRO 5 N 1.07 1.01 -0.79 4.92 0.13 -1.99 0.26 132.00 136.61 1dxv h PRO 5 Ca -0.48 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1dxv h PRO 5 Cb 1.20 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1dxv h PRO 5 CO 0.64 0.67 0.42 1.49 -0.23 0.00 0.00 178.00 180.99 1dxv h GLU 6 N 1.04 1.11 -0.07 0.86 4.81 -1.99 -0.78 114.58 119.55 1dxv h GLU 6 Ca 0.38 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 1dxv h GLU 6 Cb 0.15 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1dxv h GLU 6 CO -0.17 0.82 -0.67 0.93 -0.73 0.00 0.00 179.01 179.19 1dxv h GLU 7 N 1.11 0.29 -0.05 1.92 5.08 -1.56 -1.81 114.58 119.56 1dxv h GLU 7 Ca 0.28 -0.22 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 1dxv h GLU 7 Cb 0.04 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.35 1dxv h GLU 7 CO -0.04 0.86 -0.86 0.87 -1.00 0.00 0.00 179.01 178.83 1dxv h LYS 8 N 0.20 0.67 -0.92 2.33 1.57 -0.05 -1.77 116.57 118.60 1dxv h LYS 8 Ca -0.02 -0.66 -0.00 0.00 -1.87 0.00 0.00 60.65 58.10 1dxv h LYS 8 Cb 1.22 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 1dxv h LYS 8 CO 0.11 1.26 0.57 0.66 -0.57 0.00 0.00 179.45 181.48 1dxv h SER 9 N 0.34 1.10 -0.36 0.86 4.64 -1.13 -0.03 113.55 118.95 1dxv h SER 9 Ca -0.09 -0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1dxv h SER 9 Cb 1.52 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1dxv h SER 9 CO 0.17 0.83 0.15 0.00 -0.87 0.00 0.00 176.83 177.11 1dxv h ALA 10 N 1.31 0.43 0.06 5.18 0.00 -1.20 -1.61 119.26 123.43 1dxv h ALA 10 Ca 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1dxv h ALA 10 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1dxv h ALA 10 CO -0.07 -0.23 -0.03 0.28 0.00 0.00 0.00 179.25 179.21 1dxv h VAL 11 N 0.32 1.16 -0.48 0.00 2.07 -0.78 -2.96 116.25 115.59 1dxv h VAL 11 Ca 0.16 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1dxv h VAL 11 Cb 0.11 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1dxv h VAL 11 CO -0.14 0.19 0.30 0.74 0.02 0.00 0.00 177.57 178.68 1dxv h THR 12 N -0.42 1.14 0.20 2.57 2.02 -0.96 -1.81 112.91 115.65 1dxv h THR 12 Ca -0.01 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1dxv h THR 12 Cb 0.37 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1dxv h THR 12 CO 0.01 0.14 -0.15 0.00 0.37 0.00 0.00 175.52 175.89 1dxv h ALA 13 N 1.15 -0.34 -0.48 6.16 0.00 -1.36 -2.57 119.26 121.83 1dxv h ALA 13 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1dxv h ALA 13 Cb -0.04 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1dxv h ALA 13 CO -0.03 -0.70 0.24 1.25 0.00 0.00 0.00 179.25 180.00 1dxv h LEU 14 N -0.36 0.62 -2.23 0.00 7.12 -1.46 -2.70 115.31 116.30 1dxv h LEU 14 Ca -0.01 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1dxv h LEU 14 Cb 0.31 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1dxv h LEU 14 CO -0.00 0.56 0.00 -0.25 -0.13 0.00 0.00 178.44 178.62 1dxv h TRP 15 N 0.63 0.00 0.00 1.25 2.91 -1.16 -1.49 115.95 118.08 1dxv h TRP 15 Ca 0.16 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 1dxv h TRP 15 Cb 0.10 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1dxv h TRP 15 CO -0.01 0.00 -0.07 0.78 -1.03 0.00 0.00 178.44 178.11 1dxv h GLY 16 N 0.00 0.00 0.07 2.65 0.00 -1.11 -2.01 103.07 102.67 1dxv h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dxv h GLY 16 CO -0.00 0.00 -0.41 0.28 0.00 0.00 0.00 176.54 176.41 1dxv n LYS 17 N -3.85 0.70 -2.86 4.80 5.02 -0.57 -4.92 118.16 116.49 1dxv n LYS 17 Ca -0.02 -0.48 -0.40 0.00 -2.02 0.00 0.00 58.31 55.38 1dxv n LYS 17 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1dxv n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dxv s VAL 18 N -2.62 4.61 -0.60 -0.18 1.01 -0.76 -4.98 120.40 116.87 1dxv s VAL 18 Ca 0.19 1.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.81 1dxv s VAL 18 Cb 0.18 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1dxv s VAL 18 CO 0.59 0.35 0.84 0.21 0.00 0.00 0.00 175.10 177.09 1dxv s ASN 19 N -0.06 6.20 0.29 3.32 3.84 -1.26 -4.93 114.94 122.34 1dxv s ASN 19 Ca 0.43 -1.02 0.03 0.00 0.21 0.00 0.00 52.86 52.50 1dxv s ASN 19 Cb -0.22 -2.37 0.63 0.00 -0.55 0.00 0.00 41.25 38.74 1dxv s ASN 19 CO 0.26 -1.24 1.79 0.58 -2.79 0.00 0.00 177.10 175.70 1dxv h VAL 20 N 5.95 0.77 0.33 -5.21 2.07 -1.94 -1.36 116.25 116.85 1dxv h VAL 20 Ca -0.28 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1dxv h VAL 20 Cb 1.08 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1dxv h VAL 20 CO 1.12 0.14 -0.30 0.44 0.02 0.00 0.00 177.57 178.99 1dxv h ASP 21 N 0.78 -0.79 -0.13 0.57 5.19 -1.91 -1.16 116.42 118.96 1dxv h ASP 21 Ca 0.52 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.99 1dxv h ASP 21 Cb 0.72 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 1dxv h ASP 21 CO -0.35 -0.43 0.04 -0.33 -3.12 0.00 0.00 179.24 175.05 1dxv h GLU 22 N -0.64 0.20 -0.50 3.56 5.08 -1.83 -2.74 114.58 117.72 1dxv h GLU 22 Ca -0.02 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1dxv h GLU 22 Cb 0.58 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1dxv h GLU 22 CO -0.04 0.35 -0.18 0.28 -1.00 0.00 0.00 179.01 178.42 1dxv h VAL 23 N 0.02 1.27 -0.17 3.13 2.07 -1.30 -2.57 116.25 118.70 1dxv h VAL 23 Ca 0.04 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1dxv h VAL 23 Cb 0.23 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1dxv h VAL 23 CO -0.00 0.46 0.09 1.23 0.02 0.00 0.00 177.57 179.37 1dxv h GLY 24 N 0.91 0.22 0.99 2.17 0.00 -1.22 0.20 103.07 106.34 1dxv h GLY 24 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1dxv h GLY 24 CO 0.06 0.06 0.30 -1.33 0.00 0.00 0.00 176.54 175.63 1dxv h GLY 25 N 0.19 0.94 0.86 4.60 0.00 -1.47 -1.15 103.07 107.02 1dxv h GLY 25 Ca 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1dxv h GLY 25 CO -0.04 0.44 0.04 0.83 0.00 0.00 0.00 176.54 177.81 1dxv h GLU 26 N 0.83 0.37 -0.00 4.80 4.39 -1.12 -1.74 114.58 122.11 1dxv h GLU 26 Ca 0.21 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1dxv h GLU 26 Cb 0.11 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1dxv h GLU 26 CO -0.03 0.50 0.00 0.00 -1.16 0.00 0.00 179.01 178.32 1dxv h ALA 27 N 0.86 0.00 -0.48 3.43 0.00 -0.82 -0.90 119.26 121.34 1dxv h ALA 27 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1dxv h ALA 27 Cb 0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dxv h ALA 27 CO 0.00 -0.44 0.07 1.25 0.00 0.00 0.00 179.25 180.13 1dxv h LEU 28 N -0.10 0.78 -0.39 0.00 5.85 -1.24 -1.72 115.31 118.48 1dxv h LEU 28 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1dxv h LEU 28 Cb 0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1dxv h LEU 28 CO -0.00 0.85 0.26 1.23 -0.34 0.00 0.00 178.44 180.44 1dxv h GLY 29 N 0.68 0.55 1.29 3.75 0.00 -1.21 -2.27 103.07 105.86 1dxv h GLY 29 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1dxv h GLY 29 CO 0.01 0.20 0.20 3.21 0.00 0.00 0.00 176.54 180.16 1dxv h ARG 30 N 0.53 0.90 -0.38 4.80 3.08 -1.07 -1.37 114.38 120.86 1dxv h ARG 30 Ca 0.14 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1dxv h ARG 30 Cb -0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 1dxv h ARG 30 CO -0.03 0.76 0.21 1.25 -1.07 0.00 0.00 179.97 181.10 1dxv h LEU 31 N 0.87 0.34 -1.35 3.04 5.85 -0.99 0.29 115.31 123.36 1dxv h LEU 31 Ca 0.20 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1dxv h LEU 31 Cb 0.24 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1dxv h LEU 31 CO -0.01 0.24 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.94 1dxv h LEU 32 N 0.43 0.00 0.00 2.25 4.07 -0.95 -0.33 115.31 120.79 1dxv h LEU 32 Ca 0.15 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.03 1dxv h LEU 32 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1dxv h LEU 32 CO -0.08 0.32 -0.47 0.58 -1.08 0.00 0.00 178.44 177.71 1dxv h VAL 33 N 0.00 1.46 -0.13 1.22 2.07 -0.77 -3.28 116.25 116.82 1dxv h VAL 33 Ca -0.00 -2.28 -0.18 0.00 0.82 0.00 0.00 66.70 65.06 1dxv h VAL 33 Cb 0.60 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1dxv h VAL 33 CO 0.04 0.49 -0.67 0.58 0.02 0.00 0.00 177.57 178.03 1dxv h VAL 34 N -1.00 1.34 -2.71 2.57 2.07 -0.43 -3.36 116.25 114.73 1dxv h VAL 34 Ca -0.13 -1.99 -0.61 0.00 0.82 0.00 0.00 66.70 64.80 1dxv h VAL 34 Cb 1.11 1.96 -0.41 0.00 -1.52 0.00 0.00 31.29 32.43 1dxv h VAL 34 CO -0.08 0.61 -0.72 -1.22 0.02 0.00 0.00 177.57 176.18 1dxv n TYR 35 N -3.90 1.87 0.16 1.57 4.01 -0.14 -4.98 117.16 115.75 1dxv n TYR 35 Ca -0.04 -3.96 0.18 0.00 -0.16 0.00 0.00 57.90 53.92 1dxv n TYR 35 Cb 0.68 -0.34 0.80 0.00 -0.31 0.00 0.00 39.34 40.16 1dxv n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dxv h PRO 36 N 5.24 0.00 0.00 -0.72 0.13 -1.71 -1.28 132.00 133.66 1dxv h PRO 36 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1dxv h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1dxv h PRO 36 CO 0.61 0.00 -0.02 0.11 -0.23 0.00 0.00 178.00 178.48 1dxv h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.77 115.95 114.92 1dxv h TRP 37 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.10 1dxv h TRP 37 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.93 1dxv h TRP 37 CO 0.00 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1dxv n THR 38 N -3.74 0.92 0.30 0.12 -2.24 -0.48 -2.10 114.28 107.05 1dxv n THR 38 Ca -0.03 0.50 0.10 0.00 -2.27 0.00 0.00 64.05 62.36 1dxv n THR 38 Cb 0.10 -1.48 0.46 0.00 -2.10 0.00 0.00 70.33 67.32 1dxv n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dxv n GLN 39 N -2.29 0.14 0.29 -0.78 6.02 -0.30 -2.97 117.38 117.50 1dxv n GLN 39 Ca 0.00 0.48 0.20 0.00 -0.01 0.00 0.00 57.00 57.67 1dxv n GLN 39 Cb 0.13 -1.83 1.04 0.00 1.02 0.00 0.00 30.24 30.60 1dxv n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1dxv h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.64 -1.49 114.38 110.26 1dxv h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dxv h ARG 40 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1dxv h ARG 40 CO 0.00 0.00 -0.46 1.19 0.10 0.00 0.00 179.97 180.80 1dxv n PHE 41 N -2.87 0.00 -2.22 4.08 3.72 -1.16 -4.40 117.46 114.61 1dxv n PHE 41 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.27 1dxv n PHE 41 Cb 0.08 -0.19 0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1dxv n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1dxv n PHE 42 N -1.21 1.67 -0.09 1.38 3.72 -0.56 -4.83 117.46 117.53 1dxv n PHE 42 Ca 0.07 -1.93 0.15 0.00 -0.05 0.00 0.00 57.45 55.70 1dxv n PHE 42 Cb 0.34 -0.28 0.55 0.00 -0.94 0.00 0.00 39.48 39.15 1dxv n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1dxv h GLU 43 N 2.00 0.30 -0.20 -1.08 4.39 -1.77 -1.56 114.58 116.66 1dxv h GLU 43 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1dxv h GLU 43 Cb 1.41 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1dxv h GLU 43 CO 0.42 0.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.34 1dxv n SER 44 N -4.45 1.20 -0.07 1.42 3.41 -1.26 -4.08 113.62 109.79 1dxv n SER 44 Ca 0.11 -1.91 0.14 0.00 -0.26 0.00 0.00 58.87 56.95 1dxv n SER 44 Cb 0.49 -0.13 0.52 0.00 -0.26 0.00 0.00 64.21 64.82 1dxv n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dxv n PHE 45 N 0.12 0.00 0.00 7.33 3.01 -0.59 -5.03 117.46 122.30 1dxv n PHE 45 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1dxv n PHE 45 Cb 0.20 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 1dxv n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxv n GLY 46 N 1.38 0.38 3.63 1.37 0.00 -1.26 -4.71 105.19 105.99 1dxv n GLY 46 Ca 0.11 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 1dxv n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dxv s ASP 47 N -4.00 6.41 -0.01 1.61 2.15 -1.26 -4.85 116.67 116.72 1dxv s ASP 47 Ca 0.00 1.75 0.01 0.00 0.43 0.00 0.00 52.55 54.75 1dxv s ASP 47 Cb 0.00 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1dxv s ASP 47 CO 0.00 -1.21 0.83 0.18 -0.17 0.00 0.00 175.17 174.80 1dxv n LEU 48 N 8.28 1.20 -0.20 -1.34 4.77 -1.26 -4.07 117.00 124.37 1dxv n LEU 48 Ca 0.19 -1.31 -0.01 0.00 -0.03 0.00 0.00 56.01 54.85 1dxv n LEU 48 Cb 0.45 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1dxv n LEU 48 CO 0.64 0.32 1.02 0.77 -1.33 0.00 0.00 177.39 178.81 1dxv h SER 49 N 0.00 0.33 -3.94 -1.43 4.64 -1.94 -3.43 113.55 107.78 1dxv h SER 49 Ca 0.00 0.06 -0.35 0.00 -0.47 0.00 0.00 61.79 61.03 1dxv h SER 49 Cb 0.76 0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 62.72 1dxv h SER 49 CO 0.00 0.20 -0.69 0.42 -0.87 0.00 0.00 176.83 175.89 1dxv s THR 50 N -6.09 1.11 0.29 2.95 -4.23 -1.26 -5.03 115.64 103.37 1dxv s THR 50 Ca -0.13 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 1dxv s THR 50 Cb 0.16 -2.05 0.28 0.00 1.34 0.00 0.00 72.50 72.23 1dxv s THR 50 CO 0.75 -0.57 1.78 -0.65 -0.54 0.00 0.00 174.62 175.38 1dxv h PRO 51 N 2.66 0.72 -0.44 3.99 0.11 -1.98 0.42 132.00 137.48 1dxv h PRO 51 Ca -0.37 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 1dxv h PRO 51 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1dxv h PRO 51 CO 0.64 0.48 -0.24 -0.44 -0.21 0.00 0.00 178.00 178.23 1dxv h ASP 52 N 0.74 0.93 0.03 -2.05 3.32 -1.98 -0.41 116.42 117.01 1dxv h ASP 52 Ca 0.53 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1dxv h ASP 52 Cb 0.76 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1dxv h ASP 52 CO -0.36 1.12 -0.01 0.00 -1.72 0.00 0.00 179.24 178.26 1dxv h ALA 53 N 0.94 -0.04 0.15 3.45 0.00 -1.55 -1.41 119.26 120.80 1dxv h ALA 53 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1dxv h ALA 53 Cb 0.79 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1dxv h ALA 53 CO 0.07 -0.43 -0.20 0.28 0.00 0.00 0.00 179.25 178.96 1dxv h VAL 54 N -0.21 0.55 -0.17 0.00 2.07 -0.86 -1.96 116.25 115.67 1dxv h VAL 54 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1dxv h VAL 54 Cb 0.20 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1dxv h VAL 54 CO 0.01 0.00 0.01 0.24 0.02 0.00 0.00 177.57 177.85 1dxv h MET 55 N -0.40 0.24 -0.02 1.57 2.07 -1.04 -2.65 114.93 114.69 1dxv h MET 55 Ca 0.02 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1dxv h MET 55 Cb 0.40 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1dxv h MET 55 CO -0.09 0.26 -0.03 0.41 1.07 0.00 0.00 176.91 178.53 1dxv n GLY 56 N -1.23 0.48 3.68 8.32 0.00 -0.54 -4.90 105.19 111.00 1dxv n GLY 56 Ca -0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1dxv n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxv s ASN 57 N -2.04 6.74 0.31 1.61 3.84 -0.75 -4.90 114.94 119.75 1dxv s ASN 57 Ca 0.32 2.21 0.01 0.00 0.21 0.00 0.00 52.86 55.61 1dxv s ASN 57 Cb 0.20 -2.55 0.52 0.00 -0.55 0.00 0.00 41.25 38.87 1dxv s ASN 57 CO 0.33 -0.83 1.89 1.55 -2.79 0.00 0.00 177.10 177.26 1dxv h PRO 58 N 8.53 0.75 -0.22 0.43 0.13 -1.91 -1.47 132.00 138.24 1dxv h PRO 58 Ca -0.39 -0.12 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 1dxv h PRO 58 Cb 1.18 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1dxv h PRO 58 CO 0.93 0.64 -0.34 0.87 -0.23 0.00 0.00 178.00 179.87 1dxv h LYS 59 N 0.73 0.47 -0.31 0.86 1.57 -1.90 0.11 116.57 118.11 1dxv h LYS 59 Ca 0.17 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1dxv h LYS 59 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1dxv h LYS 59 CO -0.01 0.76 -0.14 0.28 -0.57 0.00 0.00 179.45 179.76 1dxv h VAL 60 N 0.40 1.29 -0.68 0.50 2.07 -1.79 -0.99 116.25 117.06 1dxv h VAL 60 Ca 0.05 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1dxv h VAL 60 Cb 0.79 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1dxv h VAL 60 CO 0.06 0.40 0.37 0.11 0.02 0.00 0.00 177.57 178.53 1dxv h LYS 61 N 0.40 0.95 -0.01 1.57 1.57 -0.99 0.13 116.57 120.19 1dxv h LYS 61 Ca 0.07 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dxv h LYS 61 Cb 0.66 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1dxv h LYS 61 CO 0.04 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1dxv h ALA 62 N 1.18 0.01 -0.37 3.86 0.00 -0.66 -2.44 119.26 120.85 1dxv h ALA 62 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dxv h ALA 62 Cb 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dxv h ALA 62 CO -0.04 -0.41 0.16 1.25 0.00 0.00 0.00 179.25 180.21 1dxv h HIS 63 N -0.13 0.54 -0.82 0.00 -0.00 -1.03 -2.36 115.15 111.35 1dxv h HIS 63 Ca 0.00 -0.04 0.13 0.00 -0.00 0.00 0.00 60.37 60.47 1dxv h HIS 63 Cb 0.15 -0.17 -0.09 0.00 -0.00 0.00 0.00 27.41 27.30 1dxv h HIS 63 CO -0.03 0.48 0.42 0.78 -0.00 0.00 0.00 177.93 179.59 1dxv h GLY 64 N 0.45 1.32 1.00 5.26 0.00 -0.69 0.30 103.07 110.71 1dxv h GLY 64 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1dxv h GLY 64 CO -0.01 -0.01 0.30 1.70 0.00 0.00 0.00 176.54 178.52 1dxv h LYS 65 N 0.63 0.95 -0.16 4.80 3.64 -1.05 -1.22 116.57 124.16 1dxv h LYS 65 Ca 0.44 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1dxv h LYS 65 Cb 0.59 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1dxv h LYS 65 CO -0.34 0.77 0.08 0.87 -2.27 0.00 0.00 179.45 178.56 1dxv h LYS 66 N 0.91 0.22 0.02 1.90 1.57 -0.77 -0.93 116.57 119.49 1dxv h LYS 66 Ca 0.22 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1dxv h LYS 66 Cb 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1dxv h LYS 66 CO -0.03 0.23 -0.01 0.28 -0.57 0.00 0.00 179.45 179.36 1dxv h VAL 67 N 0.15 1.09 -0.02 0.50 2.07 -0.77 -2.34 116.25 116.92 1dxv h VAL 67 Ca 0.05 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1dxv h VAL 67 Cb 0.08 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1dxv h VAL 67 CO -0.01 0.09 -0.43 -0.07 0.02 0.00 0.00 177.57 177.17 1dxv h LEU 68 N -0.17 0.04 -0.60 2.57 -0.00 -1.20 -0.19 115.31 115.76 1dxv h LEU 68 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1dxv h LEU 68 Cb 0.16 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.79 1dxv h LEU 68 CO 0.00 0.47 0.25 1.23 -0.00 0.00 0.00 178.44 180.39 1dxv h GLY 69 N 1.30 0.95 1.35 0.83 0.00 -1.08 0.64 103.07 107.06 1dxv h GLY 69 Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 1dxv h GLY 69 CO 0.06 0.48 -0.20 0.00 0.00 0.00 0.00 176.54 176.88 1dxv h ALA 70 N 1.10 0.92 -0.47 3.60 0.00 -0.95 -2.10 119.26 121.37 1dxv h ALA 70 Ca 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1dxv h ALA 70 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dxv h ALA 70 CO -0.02 0.62 0.30 0.35 0.00 0.00 0.00 179.25 180.50 1dxv h PHE 71 N 0.66 0.61 -0.84 0.00 3.57 -0.54 -2.56 116.94 117.84 1dxv h PHE 71 Ca 0.10 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1dxv h PHE 71 Cb 0.69 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1dxv h PHE 71 CO 0.03 0.40 0.54 0.77 -2.23 0.00 0.00 178.31 177.83 1dxv h SER 72 N 0.63 0.89 -0.79 0.41 0.02 0.94 -2.19 113.55 113.47 1dxv h SER 72 Ca 0.17 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1dxv h SER 72 Cb -0.04 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.23 1dxv h SER 72 CO -0.03 0.61 0.42 0.44 -1.14 0.00 0.00 176.83 177.13 1dxv h ASP 73 N 1.05 0.57 0.17 3.07 3.32 -1.03 -0.39 116.42 123.17 1dxv h ASP 73 Ca 0.34 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 1dxv h ASP 73 Cb 0.02 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1dxv h ASP 73 CO -0.12 0.31 -0.14 1.23 -1.72 0.00 0.00 179.24 178.80 1dxv h GLY 74 N 0.69 0.00 2.00 2.75 0.00 -1.18 -0.72 103.07 106.62 1dxv h GLY 74 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1dxv h GLY 74 CO -0.28 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.61 1dxv h LEU 75 N 0.00 0.00 0.00 3.11 4.07 -0.91 -0.61 115.31 120.97 1dxv h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dxv h LEU 75 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1dxv h LEU 75 CO 0.02 0.06 -0.13 0.00 -1.08 0.00 0.00 178.44 177.31 1dxv h ALA 76 N 1.94 0.92 -1.12 1.53 0.00 -1.10 -3.35 119.26 118.07 1dxv h ALA 76 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1dxv h ALA 76 Cb 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.66 1dxv h ALA 76 CO 0.01 0.00 -1.04 0.72 0.00 0.00 0.00 179.25 178.94 1dxv n HIS 77 N -2.34 1.92 0.25 0.00 8.25 -0.26 -4.90 115.22 118.14 1dxv n HIS 77 Ca 0.05 -2.84 0.18 0.00 -0.26 0.00 0.00 57.72 54.85 1dxv n HIS 77 Cb 0.45 -0.28 0.89 0.00 1.12 0.00 0.00 29.99 32.17 1dxv n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dxv h LEU 78 N 2.82 0.00 0.00 2.41 4.07 -1.63 0.11 115.31 123.10 1dxv h LEU 78 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1dxv h LEU 78 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1dxv h LEU 78 CO 0.60 0.00 -0.40 0.44 -1.08 0.00 0.00 178.44 178.00 1dxv h ASP 79 N 0.00 0.00 -1.64 -0.43 5.19 -1.90 -3.39 116.42 114.24 1dxv h ASP 79 Ca 0.06 -0.13 -0.46 0.00 -0.62 0.00 0.00 57.03 55.88 1dxv h ASP 79 Cb 0.51 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.67 1dxv h ASP 79 CO -0.00 0.06 -1.04 -3.20 -3.12 0.00 0.00 179.24 171.94 1dxv n ASN 80 N -2.22 0.02 -0.15 6.45 5.15 0.02 -4.51 115.26 120.03 1dxv n ASN 80 Ca 0.04 -3.01 -0.09 0.00 -0.60 0.00 0.00 54.58 50.92 1dxv n ASN 80 Cb 0.44 -0.18 -0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1dxv n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1dxv h LEU 81 N 3.37 0.64 -0.32 1.20 3.38 -1.73 -1.61 115.31 120.23 1dxv h LEU 81 Ca 0.05 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1dxv h LEU 81 Cb 0.96 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1dxv h LEU 81 CO 0.44 0.68 0.16 0.11 0.09 0.00 0.00 178.44 179.92 1dxv h LYS 82 N 0.56 0.33 -0.64 1.13 1.57 -1.90 -1.17 116.57 116.46 1dxv h LYS 82 Ca 0.14 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1dxv h LYS 82 Cb 0.27 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1dxv h LYS 82 CO -0.00 0.22 0.27 0.78 -0.57 0.00 0.00 179.45 180.14 1dxv h GLY 83 N 0.34 1.02 1.01 3.86 0.00 -1.93 -2.32 103.07 105.05 1dxv h GLY 83 Ca 0.13 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1dxv h GLY 83 CO -0.08 0.51 0.54 -0.84 0.00 0.00 0.00 176.54 176.66 1dxv h THR 84 N 0.90 1.22 -0.59 4.70 2.02 -0.89 -3.16 112.91 117.10 1dxv h THR 84 Ca 0.22 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1dxv h THR 84 Cb 0.18 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1dxv h THR 84 CO -0.02 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.57 1dxv n PHE 85 N -4.50 0.78 -0.15 3.16 3.72 -0.48 -4.66 117.46 115.33 1dxv n PHE 85 Ca 0.08 -0.40 -0.04 0.00 -0.05 0.00 0.00 57.45 57.05 1dxv n PHE 85 Cb 0.02 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1dxv n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dxv h ALA 86 N 4.32 0.32 -0.11 4.37 0.00 -1.38 0.51 119.26 127.28 1dxv h ALA 86 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1dxv h ALA 86 Cb 0.98 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1dxv h ALA 86 CO 0.00 -0.44 0.04 1.15 0.00 0.00 0.00 179.25 180.00 1dxv h THR 87 N 0.01 1.16 -0.18 0.00 2.02 -1.84 -1.77 112.91 112.31 1dxv h THR 87 Ca 0.23 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1dxv h THR 87 Cb 0.34 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1dxv h THR 87 CO -0.47 0.14 -0.22 -0.07 0.37 0.00 0.00 175.52 175.27 1dxv h LEU 88 N 0.02 0.30 0.13 2.58 3.38 -1.77 -0.98 115.31 118.97 1dxv h LEU 88 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1dxv h LEU 88 Cb 0.18 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dxv h LEU 88 CO -0.00 0.53 -0.07 -1.28 0.09 0.00 0.00 178.44 177.71 1dxv h SER 89 N 0.28 -0.17 -0.84 -0.43 0.87 0.28 0.24 113.55 113.79 1dxv h SER 89 Ca 0.05 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1dxv h SER 89 Cb 0.55 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1dxv h SER 89 CO 0.04 -0.11 0.55 -0.33 -0.53 0.00 0.00 176.83 176.44 1dxv h GLU 90 N -0.18 1.06 -0.11 2.24 5.08 -1.07 -1.73 114.58 119.87 1dxv h GLU 90 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1dxv h GLU 90 Cb 0.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1dxv h GLU 90 CO 0.02 0.70 0.07 1.25 -1.00 0.00 0.00 179.01 180.05 1dxv h LEU 91 N 1.10 0.13 -1.50 1.33 5.85 -0.85 0.13 115.31 121.48 1dxv h LEU 91 Ca 0.32 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1dxv h LEU 91 Cb -0.06 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1dxv h LEU 91 CO -0.09 0.12 -0.19 0.45 -0.34 0.00 0.00 178.44 178.39 1dxv h HIS 92 N 0.12 0.09 0.01 1.25 3.86 -0.71 -0.51 115.15 119.27 1dxv h HIS 92 Ca 0.04 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1dxv h HIS 92 Cb 0.01 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1dxv h HIS 92 CO -0.06 0.27 -0.01 0.00 0.86 0.00 0.00 177.93 178.99 1dxv h ASP 94 N -0.75 0.98 0.00 0.00 3.32 -0.79 -2.98 116.42 116.20 1dxv h ASP 94 Ca -0.00 -0.47 -0.34 0.00 0.02 0.00 0.00 57.03 56.24 1dxv h ASP 94 Cb 0.02 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.23 1dxv h ASP 94 CO 0.00 1.26 -2.27 0.29 -1.72 0.00 0.00 179.24 176.80 1dxv n LYS 95 N -4.07 0.70 0.06 3.56 4.76 -0.29 -4.69 118.16 118.18 1dxv n LYS 95 Ca -0.03 0.10 0.07 0.00 -2.87 0.00 0.00 58.31 55.59 1dxv n LYS 95 Cb 0.55 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 1dxv n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1dxv n LEU 96 N -3.04 0.67 -3.65 -0.35 4.77 -0.67 -5.00 117.00 109.73 1dxv n LEU 96 Ca -0.37 0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 55.64 1dxv n LEU 96 Cb 0.96 0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.13 1dxv n LEU 96 CO 0.26 -0.04 0.13 1.41 -1.33 0.00 0.00 177.39 177.83 1dxv n HIS 97 N -2.67 -2.43 -3.18 -1.77 8.25 -0.31 -4.96 115.22 108.15 1dxv n HIS 97 Ca -0.05 0.94 -0.40 0.00 -0.26 0.00 0.00 57.72 57.96 1dxv n HIS 97 Cb 0.66 -4.69 -0.07 0.00 1.12 0.00 0.00 29.99 27.00 1dxv n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dxv s VAL 98 N -3.39 5.04 0.09 1.59 1.01 -0.46 -5.02 120.40 119.26 1dxv s VAL 98 Ca 0.37 0.99 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 1dxv s VAL 98 Cb -0.17 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 1dxv s VAL 98 CO 0.77 0.07 1.87 -0.67 0.00 0.00 0.00 175.10 177.14 1dxv n ASP 99 N 5.51 4.03 0.13 3.32 -0.08 -1.26 -4.77 116.55 123.42 1dxv n ASP 99 Ca -0.03 0.97 0.09 0.00 -1.51 0.00 0.00 54.79 54.30 1dxv n ASP 99 Cb 0.49 -1.53 0.46 0.00 2.34 0.00 0.00 41.12 42.88 1dxv n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1dxv n PRO 100 N 6.14 0.11 0.27 -0.67 -0.02 -1.26 -1.48 135.00 138.09 1dxv n PRO 100 Ca 0.19 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.38 1dxv n PRO 100 Cb 0.38 -1.86 0.73 0.00 -0.02 0.00 0.00 33.50 32.73 1dxv n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1dxv h GLU 101 N 0.00 0.00 -0.32 -0.52 4.57 -1.98 -1.11 114.58 115.22 1dxv h GLU 101 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1dxv h GLU 101 Cb 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1dxv h GLU 101 CO 0.00 0.03 0.17 -0.91 -1.18 0.00 0.00 179.01 177.11 1dxv h ASN 102 N 0.00 0.38 -0.49 1.04 4.21 -1.63 -1.57 115.58 117.52 1dxv h ASN 102 Ca -0.00 -0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 1dxv h ASN 102 Cb 0.05 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 1dxv h ASN 102 CO 0.00 0.31 0.03 -0.26 -1.29 0.00 0.00 177.43 176.23 1dxv h PHE 103 N 0.44 0.95 -0.24 1.19 0.04 -1.39 -1.26 116.94 116.67 1dxv h PHE 103 Ca 0.11 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 1dxv h PHE 103 Cb 0.02 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1dxv h PHE 103 CO 0.00 0.85 -0.06 0.00 -0.60 0.00 0.00 178.31 178.50 1dxv h ARG 104 N 0.84 0.46 -0.19 1.51 3.08 -1.33 -1.96 114.38 116.79 1dxv h ARG 104 Ca 0.16 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1dxv h ARG 104 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1dxv h ARG 104 CO 0.02 0.69 0.12 -0.07 -1.07 0.00 0.00 179.97 179.66 1dxv h LEU 105 N 0.20 0.22 -0.99 3.04 3.38 -1.28 -2.28 115.31 117.60 1dxv h LEU 105 Ca 0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1dxv h LEU 105 Cb 0.52 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1dxv h LEU 105 CO 0.02 0.17 0.65 0.25 0.09 0.00 0.00 178.44 179.63 1dxv h LEU 106 N 0.25 1.11 -0.61 1.67 5.85 -1.17 -1.15 115.31 121.25 1dxv h LEU 106 Ca 0.07 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1dxv h LEU 106 Cb -0.01 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 1dxv h LEU 106 CO -0.01 0.78 0.35 1.23 -0.34 0.00 0.00 178.44 180.44 1dxv h GLY 107 N 1.30 0.88 0.99 3.75 0.00 -1.05 0.17 103.07 109.11 1dxv h GLY 107 Ca 0.38 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 1dxv h GLY 107 CO -0.10 0.18 -0.13 3.43 0.00 0.00 0.00 176.54 179.91 1dxv h ASN 108 N 0.67 0.80 -0.56 0.19 2.35 -0.87 -2.02 115.58 116.14 1dxv h ASN 108 Ca 0.26 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1dxv h ASN 108 Cb 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1dxv h ASN 108 CO -0.14 1.00 0.20 0.58 -1.65 0.00 0.00 177.43 177.41 1dxv h VAL 109 N 0.60 1.23 -0.81 2.81 2.07 -0.95 -2.10 116.25 119.10 1dxv h VAL 109 Ca 0.10 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1dxv h VAL 109 Cb 0.67 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1dxv h VAL 109 CO 0.05 0.29 0.49 0.25 0.02 0.00 0.00 177.57 178.67 1dxv h LEU 110 N 0.78 0.76 -0.69 2.57 5.85 -0.45 -0.67 115.31 123.47 1dxv h LEU 110 Ca 0.18 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1dxv h LEU 110 Cb 0.25 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1dxv h LEU 110 CO -0.01 0.48 0.40 0.58 -0.34 0.00 0.00 178.44 179.56 1dxv h VAL 111 N 0.89 1.20 -0.51 1.05 2.07 -0.94 -0.84 116.25 119.18 1dxv h VAL 111 Ca 0.36 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1dxv h VAL 111 Cb 0.19 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1dxv h VAL 111 CO -0.18 0.21 0.25 0.00 0.02 0.00 0.00 177.57 177.88 1dxv h VAL 113 N 0.50 1.17 -0.46 0.00 2.07 -0.52 -0.61 116.25 118.41 1dxv h VAL 113 Ca 0.22 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1dxv h VAL 113 Cb 0.14 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1dxv h VAL 113 CO -0.16 0.19 0.22 -0.07 0.02 0.00 0.00 177.57 177.77 1dxv h LEU 114 N 0.49 0.60 -0.66 2.57 3.38 -0.91 0.22 115.31 121.00 1dxv h LEU 114 Ca 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1dxv h LEU 114 Cb 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1dxv h LEU 114 CO -0.02 0.55 0.38 0.00 0.09 0.00 0.00 178.44 179.45 1dxv h ALA 115 N 1.07 0.84 -0.21 1.53 0.00 -0.90 0.12 119.26 121.71 1dxv h ALA 115 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dxv h ALA 115 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1dxv h ALA 115 CO -0.02 0.34 0.13 1.25 0.00 0.00 0.00 179.25 180.94 1dxv h HIS 116 N 0.89 0.28 -0.10 0.00 -0.00 -0.71 0.12 115.15 115.64 1dxv h HIS 116 Ca 0.23 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 1dxv h HIS 116 Cb 0.01 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1dxv h HIS 116 CO -0.01 0.22 -0.11 1.25 -0.00 0.00 0.00 177.93 179.28 1dxv h HIS 117 N 0.26 0.29 0.00 5.26 6.17 -0.34 -3.36 115.15 123.44 1dxv h HIS 117 Ca 0.08 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1dxv h HIS 117 Cb 0.02 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 29.89 1dxv h HIS 117 CO -0.05 0.68 -0.76 1.19 0.71 0.00 0.00 177.93 179.70 1dxv n PHE 118 N -4.64 0.21 -2.50 5.26 3.72 0.41 -5.05 117.46 114.87 1dxv n PHE 118 Ca -0.07 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1dxv n PHE 118 Cb 0.33 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1dxv n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxv n GLY 119 N 1.42 3.18 0.34 1.37 0.00 0.03 -2.74 105.19 108.79 1dxv n GLY 119 Ca 0.04 -0.23 0.18 0.00 0.00 0.00 0.00 46.02 46.00 1dxv n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dxv h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.03 116.57 118.34 1dxv h LYS 120 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1dxv h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1dxv h LYS 120 CO 0.00 0.00 -0.22 0.93 -2.00 0.00 0.00 179.45 178.16 1dxv h GLU 121 N 0.00 0.00 -3.60 0.07 5.08 -1.91 -3.32 114.58 110.90 1dxv h GLU 121 Ca 0.03 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.66 1dxv h GLU 121 Cb 0.46 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 1dxv h GLU 121 CO -0.00 0.22 2.56 0.34 -1.00 0.00 0.00 179.01 181.13 1dxv n PHE 122 N -3.45 3.10 -1.39 4.33 7.35 -0.00 -4.94 117.46 122.46 1dxv n PHE 122 Ca -0.00 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.52 1dxv n PHE 122 Cb 0.40 -2.19 0.11 0.00 0.35 0.00 0.00 39.48 38.15 1dxv n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dxv s THR 123 N 1.40 2.88 0.21 -2.13 -4.23 -1.25 -4.69 115.64 107.82 1dxv s THR 123 Ca 0.45 0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 61.09 1dxv s THR 123 Cb 0.12 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 71.27 1dxv s THR 123 CO -0.04 -0.37 1.61 -0.65 -0.54 0.00 0.00 174.62 174.63 1dxv h PRO 124 N -1.30 -0.05 -0.55 3.99 0.11 -1.93 0.15 132.00 132.41 1dxv h PRO 124 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1dxv h PRO 124 Cb 1.27 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1dxv h PRO 124 CO 0.57 -0.04 0.21 -1.35 -0.21 0.00 0.00 178.00 177.19 1dxv h PRO 125 N -0.05 0.80 -0.43 1.05 0.11 -1.99 -1.12 132.00 130.37 1dxv h PRO 125 Ca 0.29 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 1dxv h PRO 125 Cb 0.50 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1dxv h PRO 125 CO -0.67 0.67 -0.12 0.28 -0.21 0.00 0.00 178.00 177.95 1dxv h VAL 126 N 0.79 1.27 -0.33 3.15 2.07 -1.53 -2.14 116.25 119.54 1dxv h VAL 126 Ca 0.19 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1dxv h VAL 126 Cb 0.17 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1dxv h VAL 126 CO -0.02 0.42 0.18 -0.61 0.02 0.00 0.00 177.57 177.56 1dxv h GLN 127 N 0.66 0.35 -0.87 1.57 4.15 -0.20 -1.74 115.11 119.04 1dxv h GLN 127 Ca 0.11 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.61 1dxv h GLN 127 Cb 0.66 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.19 1dxv h GLN 127 CO 0.05 0.23 0.51 0.00 -1.93 0.00 0.00 178.83 177.69 1dxv h ALA 128 N 1.16 1.27 -0.41 3.38 0.00 -1.07 0.43 119.26 124.01 1dxv h ALA 128 Ca 0.13 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1dxv h ALA 128 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dxv h ALA 128 CO -0.08 0.11 -0.10 0.00 0.00 0.00 0.00 179.25 179.19 1dxv h ALA 129 N 1.48 0.57 -0.08 0.00 0.00 -0.98 -2.39 119.26 117.85 1dxv h ALA 129 Ca 0.43 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1dxv h ALA 129 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dxv h ALA 129 CO -0.26 0.44 -0.33 1.88 0.00 0.00 0.00 179.25 180.97 1dxv h TYR 130 N 0.61 0.18 -0.52 0.00 0.05 -0.41 -2.38 116.97 114.50 1dxv h TYR 130 Ca 0.10 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1dxv h TYR 130 Cb 0.63 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1dxv h TYR 130 CO 0.05 0.48 -0.00 1.96 -1.05 0.00 0.00 178.16 179.60 1dxv h GLN 131 N 0.14 0.87 -0.57 4.88 1.08 0.13 -1.55 115.11 120.10 1dxv h GLN 131 Ca 0.02 -0.25 -0.04 0.00 -1.45 0.00 0.00 58.65 56.93 1dxv h GLN 131 Cb 0.66 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1dxv h GLN 131 CO 0.05 0.87 0.20 0.87 -0.95 0.00 0.00 178.83 179.87 1dxv h LYS 132 N 0.81 0.87 0.11 1.46 1.57 -1.02 -2.50 116.57 117.86 1dxv h LYS 132 Ca 0.15 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1dxv h LYS 132 Cb 0.49 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1dxv h LYS 132 CO 0.02 0.77 -0.05 0.28 -0.57 0.00 0.00 179.45 179.91 1dxv h VAL 133 N 0.79 0.97 -0.75 0.50 2.07 -1.08 -1.68 116.25 117.07 1dxv h VAL 133 Ca 0.19 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1dxv h VAL 133 Cb 0.25 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1dxv h VAL 133 CO -0.01 0.07 0.48 1.62 0.02 0.00 0.00 177.57 179.75 1dxv h VAL 134 N -0.27 1.15 -0.59 2.57 3.04 -1.32 0.23 116.25 121.07 1dxv h VAL 134 Ca -0.01 -0.33 -0.05 0.00 -1.01 0.00 0.00 66.70 65.29 1dxv h VAL 134 Cb 0.22 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 29.57 1dxv h VAL 134 CO 0.02 0.18 0.18 0.00 -1.01 0.00 0.00 177.57 176.94 1dxv h ALA 135 N 1.29 0.77 -0.29 3.17 0.00 -1.43 -0.82 119.26 121.95 1dxv h ALA 135 Ca 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dxv h ALA 135 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1dxv h ALA 135 CO -0.08 0.44 0.15 0.78 0.00 0.00 0.00 179.25 180.54 1dxv h GLY 136 N 0.83 0.45 0.89 0.00 0.00 -0.64 0.47 103.07 105.07 1dxv h GLY 136 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1dxv h GLY 136 CO -0.00 0.21 0.05 -2.08 0.00 0.00 0.00 176.54 174.71 1dxv h VAL 137 N 0.35 1.23 -0.78 4.60 2.07 -0.45 0.52 116.25 123.80 1dxv h VAL 137 Ca 0.10 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1dxv h VAL 137 Cb 0.10 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1dxv h VAL 137 CO -0.01 0.26 0.43 0.00 0.02 0.00 0.00 177.57 178.27 1dxv h ALA 138 N 0.88 1.00 -0.68 1.67 0.00 -0.99 -0.52 119.26 120.61 1dxv h ALA 138 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1dxv h ALA 138 Cb 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1dxv h ALA 138 CO 0.01 0.50 0.12 -0.91 0.00 0.00 0.00 179.25 178.97 1dxv h ASN 139 N 1.08 1.08 -0.57 0.00 2.35 -0.67 -2.29 115.58 116.55 1dxv h ASN 139 Ca 0.27 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1dxv h ASN 139 Cb 0.03 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1dxv h ASN 139 CO -0.04 1.06 0.38 0.00 -1.65 0.00 0.00 177.43 177.17 1dxv h ALA 140 N 1.06 0.73 0.00 -0.83 0.00 -0.41 -1.82 119.26 117.99 1dxv h ALA 140 Ca 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1dxv h ALA 140 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dxv h ALA 140 CO 0.01 0.17 -0.28 -0.07 0.00 0.00 0.00 179.25 179.08 1dxv h LEU 141 N 0.78 0.00 0.00 0.00 3.38 -0.87 -3.10 115.31 115.49 1dxv h LEU 141 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1dxv h LEU 141 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1dxv h LEU 141 CO -0.04 0.28 -0.72 0.00 0.09 0.00 0.00 178.44 178.04 1dxv h ALA 142 N 1.72 0.53 -0.91 1.53 0.00 -1.16 -3.40 119.26 117.56 1dxv h ALA 142 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1dxv h ALA 142 Cb 0.80 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1dxv h ALA 142 CO 0.04 0.00 0.47 1.25 0.00 0.00 0.00 179.25 181.00 1dxv h HIS 143 N 0.00 0.80 -0.47 0.00 6.17 -1.26 -2.06 115.15 118.33 1dxv h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1dxv h HIS 143 Cb 0.77 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1dxv h HIS 143 CO 0.00 0.09 0.00 1.63 0.71 0.00 0.00 177.93 180.36 1dxv n LYS 144 N -4.92 3.45 -2.47 5.26 4.76 -1.26 -4.95 118.16 118.04 1dxv n LYS 144 Ca 0.21 -2.27 -0.36 0.00 -2.87 0.00 0.00 58.31 53.01 1dxv n LYS 144 Cb 0.57 -1.89 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 1dxv n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dxv s TYR 145 N -2.00 3.14 0.00 2.13 1.51 -0.78 -4.74 117.35 116.60 1dxv s TYR 145 Ca 0.40 1.61 0.00 0.00 -1.01 0.00 0.00 57.07 58.07 1dxv s TYR 145 Cb 0.28 -3.19 0.00 0.00 -0.11 0.00 0.00 41.96 38.94 1dxv s TYR 145 CO 0.16 -0.88 0.00 -2.39 -1.11 0.00 0.00 175.55 171.33