#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxv s LEU 2 N 0.00 4.25 0.86 7.52 1.43 -1.26 -5.04 118.68 126.44 1dxv s LEU 2 Ca 0.00 1.31 -0.13 0.00 -1.03 0.00 0.00 54.13 54.28 1dxv s LEU 2 Cb 0.00 -3.30 0.12 0.00 0.03 0.00 0.00 46.19 43.04 1dxv s LEU 2 CO 0.00 -0.32 1.21 -0.94 0.23 0.00 0.00 176.35 176.54 1dxv s SER 3 N 1.04 4.02 0.20 2.29 1.04 -1.26 -4.88 113.70 116.15 1dxv s SER 3 Ca 0.42 0.66 -0.09 0.00 0.48 0.00 0.00 55.95 57.42 1dxv s SER 3 Cb -0.18 -1.03 0.14 0.00 0.10 0.00 0.00 66.02 65.05 1dxv s SER 3 CO 0.17 -2.20 1.78 -0.65 0.98 0.00 0.00 173.24 173.32 1dxv h PRO 4 N -1.26 1.11 -0.76 4.02 0.11 -2.00 -1.94 132.00 131.28 1dxv h PRO 4 Ca -0.46 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1dxv h PRO 4 Cb 1.30 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1dxv h PRO 4 CO 0.58 0.89 0.49 0.00 -0.21 0.00 0.00 178.00 179.74 1dxv h ALA 5 N 1.17 0.96 -0.44 -0.75 0.00 -1.99 -1.25 119.26 116.96 1dxv h ALA 5 Ca 0.26 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1dxv h ALA 5 Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1dxv h ALA 5 CO -0.03 0.40 0.21 -0.44 0.00 0.00 0.00 179.25 179.39 1dxv h ASP 6 N 1.03 0.29 -0.54 0.00 3.32 -1.77 -0.26 116.42 118.49 1dxv h ASP 6 Ca 0.28 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 1dxv h ASP 6 Cb -0.09 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1dxv h ASP 6 CO -0.06 0.21 0.22 0.11 -1.72 0.00 0.00 179.24 178.00 1dxv h LYS 7 N 0.42 0.86 -0.44 3.56 1.57 -0.87 -0.12 116.57 121.56 1dxv h LYS 7 Ca 0.19 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1dxv h LYS 7 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1dxv h LYS 7 CO -0.15 0.72 0.04 1.15 -0.57 0.00 0.00 179.45 180.64 1dxv h THR 8 N 0.84 1.25 -0.19 -0.16 2.02 -0.63 -1.35 112.91 114.69 1dxv h THR 8 Ca 0.20 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1dxv h THR 8 Cb 0.19 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1dxv h THR 8 CO -0.02 0.33 0.12 0.78 0.37 0.00 0.00 175.52 177.10 1dxv h ASN 9 N 0.59 0.22 -0.26 4.18 2.35 -0.51 -1.36 115.58 120.79 1dxv h ASN 9 Ca 0.13 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1dxv h ASN 9 Cb 0.43 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1dxv h ASN 9 CO 0.01 0.19 0.14 0.58 -1.65 0.00 0.00 177.43 176.70 1dxv h VAL 10 N 0.23 1.12 -0.37 2.81 2.07 -0.96 -0.13 116.25 121.02 1dxv h VAL 10 Ca 0.07 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1dxv h VAL 10 Cb 0.00 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1dxv h VAL 10 CO -0.01 0.12 0.11 0.11 0.02 0.00 0.00 177.57 177.91 1dxv h LYS 11 N 0.31 0.54 0.41 1.57 1.57 -1.14 0.23 116.57 120.06 1dxv h LYS 11 Ca 0.09 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1dxv h LYS 11 Cb 0.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1dxv h LYS 11 CO -0.01 0.48 -0.20 0.00 -0.57 0.00 0.00 179.45 179.15 1dxv h ALA 12 N 1.59 -0.55 -0.04 3.86 0.00 -0.91 -0.87 119.26 122.34 1dxv h ALA 12 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dxv h ALA 12 Cb 0.18 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dxv h ALA 12 CO -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 179.25 178.64 1dxv h ALA 13 N -0.55 0.04 -0.66 0.00 0.00 -0.81 -2.53 119.26 114.76 1dxv h ALA 13 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1dxv h ALA 13 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1dxv h ALA 13 CO 0.09 -0.45 0.44 2.35 0.00 0.00 0.00 179.25 181.68 1dxv h TRP 14 N 0.03 0.83 -0.32 0.00 2.91 -0.61 -1.83 115.95 116.96 1dxv h TRP 14 Ca 0.01 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.09 1dxv h TRP 14 Cb 0.01 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 28.34 1dxv h TRP 14 CO -0.07 0.51 0.10 0.78 -1.03 0.00 0.00 178.44 178.73 1dxv h GLY 15 N 0.89 0.39 1.56 2.65 0.00 -0.83 -1.23 103.07 106.50 1dxv h GLY 15 Ca 0.25 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.54 1dxv h GLY 15 CO -0.06 0.02 0.26 1.70 0.00 0.00 0.00 176.54 178.47 1dxv h LYS 16 N 0.23 0.47 0.11 4.80 3.11 -0.94 -1.97 116.57 122.36 1dxv h LYS 16 Ca 0.14 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1dxv h LYS 16 Cb 0.13 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1dxv h LYS 16 CO -0.16 0.31 -0.06 0.28 -2.81 0.00 0.00 179.45 177.01 1dxv h VAL 17 N 0.48 0.87 0.00 2.00 2.07 -0.61 -3.45 116.25 117.61 1dxv h VAL 17 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1dxv h VAL 17 Cb 0.03 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1dxv h VAL 17 CO -0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.16 1dxv n GLY 18 N -1.16 3.36 0.00 2.17 0.00 -0.74 -1.97 105.19 106.84 1dxv n GLY 18 Ca -0.08 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1dxv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxv n ALA 19 N 11.68 2.10 1.39 4.61 0.00 -1.26 -2.98 120.51 136.05 1dxv n ALA 19 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1dxv n ALA 19 Cb 0.00 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.52 1dxv n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxv n HIS 20 N -1.45 0.04 -0.24 0.00 -0.00 -0.83 -4.49 115.22 108.24 1dxv n HIS 20 Ca 0.07 -0.02 0.02 0.00 -0.00 0.00 0.00 57.72 57.79 1dxv n HIS 20 Cb 0.26 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.35 1dxv n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dxv h ALA 21 N 4.36 0.56 -0.74 -1.41 0.00 -1.69 -0.02 119.26 120.32 1dxv h ALA 21 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1dxv h ALA 21 Cb 0.56 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1dxv h ALA 21 CO 0.00 -0.42 0.29 0.78 0.00 0.00 0.00 179.25 179.90 1dxv h GLY 22 N 0.03 1.20 1.40 0.00 0.00 -1.84 0.15 103.07 104.02 1dxv h GLY 22 Ca 0.35 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1dxv h GLY 22 CO -0.69 0.62 -0.36 -2.09 0.00 0.00 0.00 176.54 174.02 1dxv h GLU 23 N 1.07 0.66 -0.37 4.80 4.81 -1.64 -1.91 114.58 122.00 1dxv h GLU 23 Ca 0.25 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1dxv h GLU 23 Cb 0.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1dxv h GLU 23 CO -0.02 0.92 -0.27 1.88 -0.73 0.00 0.00 179.01 180.79 1dxv h TYR 24 N 0.55 0.90 -0.64 0.92 0.05 -0.77 -0.92 116.97 117.06 1dxv h TYR 24 Ca 0.05 -0.22 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 1dxv h TYR 24 Cb 0.88 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1dxv h TYR 24 CO 0.04 0.96 0.26 0.78 -1.05 0.00 0.00 178.16 179.15 1dxv h GLY 25 N 0.95 1.02 1.04 3.88 0.00 -0.47 -0.76 103.07 108.74 1dxv h GLY 25 Ca 0.08 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1dxv h GLY 25 CO 0.07 0.52 0.15 0.00 0.00 0.00 0.00 176.54 177.28 1dxv h ALA 26 N 1.11 0.87 -0.54 3.60 0.00 -1.14 -2.38 119.26 120.77 1dxv h ALA 26 Ca 0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1dxv h ALA 26 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1dxv h ALA 26 CO -0.02 0.59 0.01 1.49 0.00 0.00 0.00 179.25 181.32 1dxv h GLU 27 N 0.98 0.94 -0.85 0.00 4.81 -0.89 -1.74 114.58 117.84 1dxv h GLU 27 Ca 0.21 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1dxv h GLU 27 Cb 0.37 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1dxv h GLU 27 CO 0.00 0.95 0.54 0.00 -0.73 0.00 0.00 179.01 179.78 1dxv h ALA 28 N 0.96 1.08 -0.24 2.92 0.00 -1.01 0.49 119.26 123.45 1dxv h ALA 28 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dxv h ALA 28 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1dxv h ALA 28 CO 0.03 0.51 0.11 -0.07 0.00 0.00 0.00 179.25 179.82 1dxv h LEU 29 N 1.16 0.33 -1.03 0.00 3.38 -1.23 -1.20 115.31 116.71 1dxv h LEU 29 Ca 0.31 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1dxv h LEU 29 Cb -0.09 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1dxv h LEU 29 CO -0.06 0.38 0.62 -0.08 0.09 0.00 0.00 178.44 179.39 1dxv h GLU 30 N 0.25 1.27 -0.82 1.13 4.81 -0.94 -0.38 114.58 119.91 1dxv h GLU 30 Ca 0.08 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1dxv h GLU 30 Cb 0.15 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1dxv h GLU 30 CO -0.01 0.85 0.36 0.00 -0.73 0.00 0.00 179.01 179.48 1dxv h ARG 31 N 1.30 1.20 -0.15 1.92 3.08 -0.63 -2.20 114.38 118.90 1dxv h ARG 31 Ca 0.35 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1dxv h ARG 31 Cb -0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.71 1dxv h ARG 31 CO -0.07 0.94 0.00 1.98 -1.07 0.00 0.00 179.97 181.75 1dxv h MET 32 N 1.17 0.27 -0.65 0.04 4.05 -0.49 0.49 114.93 119.80 1dxv h MET 32 Ca 0.28 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 1dxv h MET 32 Cb 0.17 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.90 1dxv h MET 32 CO -0.03 0.49 0.43 0.74 0.23 0.00 0.00 176.91 178.77 1dxv h PHE 33 N 0.02 0.74 0.12 1.39 0.04 -0.99 0.31 116.94 118.57 1dxv h PHE 33 Ca 0.04 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.64 1dxv h PHE 33 Cb 0.36 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 38.28 1dxv h PHE 33 CO 0.03 0.43 -0.91 -0.07 -0.60 0.00 0.00 178.31 177.19 1dxv h LEU 34 N 0.77 0.41 -0.21 1.54 3.38 -1.30 -3.29 115.31 116.61 1dxv h LEU 34 Ca 0.26 -0.92 -0.22 0.00 0.09 0.00 0.00 57.88 57.09 1dxv h LEU 34 Cb 0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1dxv h LEU 34 CO -0.07 1.42 -0.91 0.28 0.09 0.00 0.00 178.44 179.25 1dxv h SER 35 N -0.41 0.49 -2.64 -0.43 0.02 -0.72 -3.39 113.55 106.47 1dxv h SER 35 Ca -0.17 -0.39 -0.60 0.00 -0.84 0.00 0.00 61.79 59.79 1dxv h SER 35 Cb 1.63 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 63.61 1dxv h SER 35 CO 0.12 1.18 -0.79 0.49 -1.14 0.00 0.00 176.83 176.69 1dxv n PHE 36 N -3.74 1.20 0.31 3.45 3.72 0.11 -4.99 117.46 117.51 1dxv n PHE 36 Ca -0.06 -3.81 0.18 0.00 -0.05 0.00 0.00 57.45 53.71 1dxv n PHE 36 Cb 0.82 -0.21 1.02 0.00 -0.94 0.00 0.00 39.48 40.17 1dxv n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1dxv h PRO 37 N 5.32 0.00 0.00 -1.08 0.13 -1.72 -0.97 132.00 133.67 1dxv h PRO 37 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1dxv h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1dxv h PRO 37 CO 0.56 0.00 -0.02 1.79 -0.23 0.00 0.00 178.00 180.09 1dxv h THR 38 N 0.00 0.15 0.00 1.56 1.35 -1.91 -1.35 112.91 112.71 1dxv h THR 38 Ca 0.01 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1dxv h THR 38 Cb 0.08 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1dxv h THR 38 CO -0.00 0.02 -0.04 0.71 -0.25 0.00 0.00 175.52 175.96 1dxv h THR 39 N 0.00 0.14 0.00 6.82 1.35 -1.50 -2.06 112.91 117.66 1dxv h THR 39 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1dxv h THR 39 Cb 0.20 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1dxv h THR 39 CO 0.00 0.04 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1dxv h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.42 -2.64 116.57 118.80 1dxv h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dxv h LYS 40 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1dxv h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1dxv h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.54 -0.51 112.91 112.05 1dxv h THR 41 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1dxv h THR 41 Cb 0.29 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1dxv h THR 41 CO 0.00 0.00 -0.29 -1.22 -0.25 0.00 0.00 175.52 173.76 1dxv n TYR 42 N -2.96 0.00 -2.37 4.73 4.01 -0.99 -4.35 117.16 115.22 1dxv n TYR 42 Ca -0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.51 1dxv n TYR 42 Cb 0.08 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.02 1dxv n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1dxv n PHE 43 N -0.55 2.63 0.31 -0.72 3.72 -0.20 -4.84 117.46 117.81 1dxv n PHE 43 Ca 0.12 -2.62 0.17 0.00 -0.05 0.00 0.00 57.45 55.06 1dxv n PHE 43 Cb 0.37 -0.23 0.71 0.00 -0.94 0.00 0.00 39.48 39.39 1dxv n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1dxv h PRO 44 N 2.48 0.00 -0.23 -1.08 0.13 -1.76 -2.64 132.00 128.91 1dxv h PRO 44 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1dxv h PRO 44 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1dxv h PRO 44 CO 0.69 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.07 1dxv n HIS 45 N -2.89 0.30 -4.17 1.56 1.44 -1.26 -4.89 115.22 105.31 1dxv n HIS 45 Ca 0.00 -0.15 -0.29 0.00 -2.01 0.00 0.00 57.72 55.28 1dxv n HIS 45 Cb 0.25 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.28 1dxv n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1dxv s PHE 46 N -1.70 2.90 -0.37 -1.40 0.40 -1.00 -5.07 117.98 111.74 1dxv s PHE 46 Ca 0.31 -0.09 -0.24 0.00 -0.60 0.00 0.00 56.93 56.31 1dxv s PHE 46 Cb 0.17 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 42.25 1dxv s PHE 46 CO 0.25 0.48 0.85 0.34 0.70 0.00 0.00 175.22 177.84 1dxv s ASP 47 N -2.54 6.60 -0.21 1.36 2.15 -1.26 -4.88 116.67 117.88 1dxv s ASP 47 Ca 0.26 0.42 0.15 0.00 0.43 0.00 0.00 52.55 53.81 1dxv s ASP 47 Cb -0.11 -2.43 0.81 0.00 -0.30 0.00 0.00 42.92 40.90 1dxv s ASP 47 CO 0.18 -0.80 1.73 0.18 -0.17 0.00 0.00 175.17 176.29 1dxv n LEU 48 N 6.60 5.57 -4.77 -1.34 4.77 -1.26 -4.49 117.00 122.08 1dxv n LEU 48 Ca 0.05 -2.82 -0.36 0.00 -0.03 0.00 0.00 56.01 52.85 1dxv n LEU 48 Cb 0.48 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1dxv n LEU 48 CO 0.56 0.67 0.80 -0.94 -1.33 0.00 0.00 177.39 177.16 1dxv s SER 49 N -0.80 5.74 -0.07 -1.43 1.04 -1.26 -4.89 113.70 112.02 1dxv s SER 49 Ca 0.54 2.24 -0.36 0.00 0.48 0.00 0.00 55.95 58.86 1dxv s SER 49 Cb 0.40 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.80 1dxv s SER 49 CO 0.18 -1.21 1.74 1.57 0.98 0.00 0.00 173.24 176.50 1dxv n HIS 50 N -1.16 2.17 -1.00 5.02 -0.00 -1.26 -1.34 115.22 117.65 1dxv n HIS 50 Ca 0.11 0.24 -0.00 0.00 0.46 0.00 0.00 57.72 58.53 1dxv n HIS 50 Cb 0.50 -2.56 -0.00 0.00 -0.12 0.00 0.00 29.99 27.81 1dxv n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dxv n GLY 51 N 4.00 0.47 3.75 1.57 0.00 -1.26 -5.03 105.19 108.69 1dxv n GLY 51 Ca 0.22 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1dxv n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dxv s SER 52 N -2.22 5.29 0.41 1.61 1.04 -0.45 -4.84 113.70 114.53 1dxv s SER 52 Ca 0.00 2.73 0.07 0.00 0.48 0.00 0.00 55.95 59.23 1dxv s SER 52 Cb 0.00 -2.63 0.84 0.00 0.10 0.00 0.00 66.02 64.33 1dxv s SER 52 CO 0.00 -1.56 2.04 0.00 0.98 0.00 0.00 173.24 174.71 1dxv h ALA 53 N 1.44 1.68 -0.34 5.32 0.00 -1.90 -1.67 119.26 123.79 1dxv h ALA 53 Ca -0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1dxv h ALA 53 Cb 1.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1dxv h ALA 53 CO 0.57 0.28 0.16 1.96 0.00 0.00 0.00 179.25 182.22 1dxv h GLN 54 N 0.52 0.50 -0.30 0.00 4.20 -1.90 0.35 115.11 118.49 1dxv h GLN 54 Ca 0.14 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1dxv h GLN 54 Cb -0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1dxv h GLN 54 CO -0.03 0.47 -0.12 0.28 -0.67 0.00 0.00 178.83 178.76 1dxv h VAL 55 N 0.41 1.29 -0.53 -0.54 2.07 -1.71 -1.37 116.25 115.87 1dxv h VAL 55 Ca 0.12 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1dxv h VAL 55 Cb 0.14 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1dxv h VAL 55 CO -0.01 0.39 0.28 0.11 0.02 0.00 0.00 177.57 178.35 1dxv h LYS 56 N 0.36 0.75 -0.42 1.57 1.57 -1.18 0.19 116.57 119.40 1dxv h LYS 56 Ca 0.07 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1dxv h LYS 56 Cb 0.64 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1dxv h LYS 56 CO 0.04 0.59 0.19 0.78 -0.57 0.00 0.00 179.45 180.48 1dxv h GLY 57 N 0.71 0.67 0.98 3.86 0.00 -0.25 -2.18 103.07 106.86 1dxv h GLY 57 Ca 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1dxv h GLY 57 CO -0.03 0.33 0.21 0.84 0.00 0.00 0.00 176.54 177.90 1dxv h HIS 58 N 0.54 0.81 -0.81 5.60 -0.00 -1.08 -2.09 115.15 118.13 1dxv h HIS 58 Ca 0.14 -0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1dxv h HIS 58 Cb 0.16 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.28 1dxv h HIS 58 CO -0.00 0.67 0.53 0.78 -0.00 0.00 0.00 177.93 179.91 1dxv h GLY 59 N 0.72 1.14 0.89 5.26 0.00 -0.46 0.42 103.07 111.04 1dxv h GLY 59 Ca 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1dxv h GLY 59 CO -0.01 0.32 0.08 1.70 0.00 0.00 0.00 176.54 178.63 1dxv h LYS 60 N 0.98 0.44 -0.69 4.80 3.64 -1.04 -0.97 116.57 123.73 1dxv h LYS 60 Ca 0.33 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1dxv h LYS 60 Cb 0.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1dxv h LYS 60 CO -0.10 0.50 0.21 0.87 -2.27 0.00 0.00 179.45 178.66 1dxv h LYS 61 N 0.29 1.07 -0.06 1.90 1.57 -0.70 0.24 116.57 120.88 1dxv h LYS 61 Ca 0.09 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1dxv h LYS 61 Cb 0.25 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1dxv h LYS 61 CO -0.00 0.93 0.04 0.28 -0.57 0.00 0.00 179.45 180.12 1dxv h VAL 62 N 1.01 1.05 -0.86 0.50 2.07 -0.77 -1.64 116.25 117.62 1dxv h VAL 62 Ca 0.22 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1dxv h VAL 62 Cb 0.31 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1dxv h VAL 62 CO -0.01 0.05 0.57 0.00 0.02 0.00 0.00 177.57 178.20 1dxv h ALA 63 N 0.98 1.09 -0.56 1.67 0.00 -0.96 -1.43 119.26 120.04 1dxv h ALA 63 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1dxv h ALA 63 Cb 0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1dxv h ALA 63 CO -0.00 0.49 0.32 -0.44 0.00 0.00 0.00 179.25 179.61 1dxv h ASP 64 N 1.16 0.69 -0.78 0.00 3.32 -0.75 0.16 116.42 120.22 1dxv h ASP 64 Ca 0.32 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1dxv h ASP 64 Cb -0.13 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 1dxv h ASP 64 CO -0.07 0.57 0.52 0.00 -1.72 0.00 0.00 179.24 178.54 1dxv h ALA 65 N 1.15 1.00 -0.56 3.45 0.00 -0.79 -1.20 119.26 122.30 1dxv h ALA 65 Ca 0.20 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1dxv h ALA 65 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1dxv h ALA 65 CO -0.03 0.39 -0.01 -0.07 0.00 0.00 0.00 179.25 179.53 1dxv h LEU 66 N 1.05 0.99 -0.47 0.00 4.07 -0.77 -1.50 115.31 118.67 1dxv h LEU 66 Ca 0.29 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1dxv h LEU 66 Cb -0.11 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.34 1dxv h LEU 66 CO -0.07 1.06 0.30 0.74 -1.08 0.00 0.00 178.44 179.39 1dxv h THR 67 N 0.89 1.14 -0.41 0.22 2.02 -0.67 0.09 112.91 116.19 1dxv h THR 67 Ca 0.16 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 67.13 1dxv h THR 67 Cb 0.56 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1dxv h THR 67 CO 0.03 0.13 0.04 -1.13 0.37 0.00 0.00 175.52 174.97 1dxv h ASN 68 N 0.64 -0.07 -0.62 4.18 -1.24 -0.95 -0.48 115.58 117.04 1dxv h ASN 68 Ca 0.17 0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.22 1dxv h ASN 68 Cb -0.04 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 1dxv h ASN 68 CO -0.03 -0.00 0.21 0.00 -1.29 0.00 0.00 177.43 176.32 1dxv h ALA 69 N 1.33 1.15 -0.37 1.57 0.00 -0.73 -1.49 119.26 120.72 1dxv h ALA 69 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1dxv h ALA 69 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dxv h ALA 69 CO -0.30 0.59 0.03 0.28 0.00 0.00 0.00 179.25 179.86 1dxv h VAL 70 N 0.95 1.25 -0.80 0.00 2.07 -0.22 0.49 116.25 119.99 1dxv h VAL 70 Ca 0.21 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1dxv h VAL 70 Cb 0.25 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1dxv h VAL 70 CO -0.01 0.31 0.46 0.00 0.02 0.00 0.00 177.57 178.34 1dxv h ALA 71 N 0.89 1.12 -0.93 1.67 0.00 -0.82 -2.68 119.26 118.51 1dxv h ALA 71 Ca 0.11 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.45 1dxv h ALA 71 Cb 0.41 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 17.67 1dxv h ALA 71 CO 0.01 0.11 -0.32 0.72 0.00 0.00 0.00 179.25 179.77 1dxv n HIS 72 N -4.74 2.97 0.20 0.00 8.25 -0.59 -4.80 115.22 116.51 1dxv n HIS 72 Ca 0.12 -2.54 0.18 0.00 -0.26 0.00 0.00 57.72 55.22 1dxv n HIS 72 Cb 0.24 -0.60 0.83 0.00 1.12 0.00 0.00 29.99 31.58 1dxv n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1dxv h VAL 73 N 1.97 0.39 0.00 1.59 3.04 -0.54 0.30 116.25 122.99 1dxv h VAL 73 Ca 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.11 1dxv h VAL 73 Cb 1.20 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1dxv h VAL 73 CO 1.00 0.00 -0.27 0.44 -1.01 0.00 0.00 177.57 177.73 1dxv h ASP 74 N 0.00 0.00 -1.53 3.17 3.32 -1.87 -3.38 116.42 116.13 1dxv h ASP 74 Ca 0.10 -0.02 -0.44 0.00 0.02 0.00 0.00 57.03 56.70 1dxv h ASP 74 Cb 0.62 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.76 1dxv h ASP 74 CO -0.00 0.01 -1.14 -0.67 -1.72 0.00 0.00 179.24 175.71 1dxv n ASP 75 N -2.81 1.52 -0.15 6.45 2.03 0.06 -4.96 116.55 118.69 1dxv n ASP 75 Ca 0.03 -2.95 -0.05 0.00 0.52 0.00 0.00 54.79 52.34 1dxv n ASP 75 Cb 0.51 -0.57 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 1dxv n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1dxv h MET 76 N 2.98 0.44 -0.67 -0.67 2.86 -1.65 -1.15 114.93 117.06 1dxv h MET 76 Ca 0.02 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1dxv h MET 76 Cb 1.04 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.50 1dxv h MET 76 CO 0.54 0.29 0.15 -1.35 1.06 0.00 0.00 176.91 177.59 1dxv h PRO 77 N 0.45 0.25 0.13 -0.22 0.11 -1.93 0.22 132.00 131.02 1dxv h PRO 77 Ca 0.20 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 66.01 1dxv h PRO 77 Cb 0.12 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.20 1dxv h PRO 77 CO -0.15 0.17 -1.25 -0.91 -0.21 0.00 0.00 178.00 175.65 1dxv h ASN 78 N 0.26 0.75 0.08 -2.05 4.21 -1.91 -2.66 115.58 114.26 1dxv h ASN 78 Ca 0.37 -0.72 -0.09 0.00 1.21 0.00 0.00 56.30 57.07 1dxv h ASN 78 Cb 0.59 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 1dxv h ASN 78 CO -0.46 1.54 -0.28 0.00 -1.29 0.00 0.00 177.43 176.94 1dxv h ALA 79 N 0.38 1.22 -0.64 -0.83 0.00 -0.41 -2.96 119.26 116.02 1dxv h ALA 79 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1dxv h ALA 79 Cb 1.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1dxv h ALA 79 CO 0.23 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.27 1dxv n LEU 80 N -4.13 4.46 -0.17 0.00 4.77 0.69 -4.73 117.00 117.90 1dxv n LEU 80 Ca -0.01 -2.34 -0.04 0.00 -0.03 0.00 0.00 56.01 53.59 1dxv n LEU 80 Cb 0.39 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1dxv n LEU 80 CO 0.41 0.85 0.69 -1.28 -1.33 0.00 0.00 177.39 176.72 1dxv h SER 81 N 3.94 -0.84 -0.89 -1.43 0.87 -1.29 0.12 113.55 114.03 1dxv h SER 81 Ca 0.00 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1dxv h SER 81 Cb 1.31 0.45 -0.04 0.00 -0.44 0.00 0.00 62.40 63.68 1dxv h SER 81 CO 0.17 -0.26 0.48 0.00 -0.53 0.00 0.00 176.83 176.68 1dxv h ALA 82 N 1.20 1.15 -0.30 6.23 0.00 -1.84 -1.28 119.26 124.41 1dxv h ALA 82 Ca 0.24 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1dxv h ALA 82 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1dxv h ALA 82 CO -0.60 0.67 -0.39 1.25 0.00 0.00 0.00 179.25 180.18 1dxv h LEU 83 N 1.25 0.76 -1.03 0.00 5.85 -1.69 -1.11 115.31 119.35 1dxv h LEU 83 Ca 0.31 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1dxv h LEU 83 Cb 0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1dxv h LEU 83 CO -0.05 1.06 -0.33 0.77 -0.34 0.00 0.00 178.44 179.56 1dxv h SER 84 N 0.59 0.29 -0.26 1.25 4.64 -0.44 -1.31 113.55 118.31 1dxv h SER 84 Ca 0.05 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 1dxv h SER 84 Cb 0.92 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1dxv h SER 84 CO 0.08 0.61 -0.16 0.44 -0.87 0.00 0.00 176.83 176.94 1dxv h ASP 85 N 0.25 0.60 -0.77 4.97 3.32 -0.82 -1.92 116.42 122.05 1dxv h ASP 85 Ca 0.03 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1dxv h ASP 85 Cb 0.71 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1dxv h ASP 85 CO 0.05 0.89 0.50 0.25 -1.72 0.00 0.00 179.24 179.21 1dxv h LEU 86 N 0.30 0.89 -0.18 1.55 5.85 -0.91 -0.12 115.31 122.69 1dxv h LEU 86 Ca 0.06 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 1dxv h LEU 86 Cb 0.68 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1dxv h LEU 86 CO 0.04 0.65 -0.58 0.45 -0.34 0.00 0.00 178.44 178.67 1dxv h HIS 87 N 1.04 0.93 -0.29 1.25 3.86 -1.22 -0.38 115.15 120.34 1dxv h HIS 87 Ca 0.28 -0.38 -0.11 0.00 -1.16 0.00 0.00 60.37 59.00 1dxv h HIS 87 Cb -0.10 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1dxv h HIS 87 CO -0.02 1.18 -0.25 0.00 0.86 0.00 0.00 177.93 179.71 1dxv h ALA 88 N 0.57 0.42 0.00 2.45 0.00 -1.20 0.23 119.26 121.73 1dxv h ALA 88 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1dxv h ALA 88 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1dxv h ALA 88 CO 0.12 0.40 -2.01 0.72 0.00 0.00 0.00 179.25 178.48 1dxv n HIS 89 N -4.30 0.00 0.01 0.00 8.25 -0.07 -4.58 115.22 114.53 1dxv n HIS 89 Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1dxv n HIS 89 Cb 0.44 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 1dxv n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1dxv n LYS 90 N -2.29 0.09 -0.01 -0.41 0.00 -0.72 -4.86 118.16 109.97 1dxv n LYS 90 Ca -0.06 0.04 -0.12 0.00 0.00 0.00 0.00 58.31 58.16 1dxv n LYS 90 Cb 0.61 -0.54 -0.08 0.00 0.00 0.00 0.00 35.03 35.02 1dxv n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1dxv h LEU 91 N -0.17 0.07 -1.61 3.14 3.38 -1.20 -3.48 115.31 115.45 1dxv h LEU 91 Ca 0.00 -0.26 -0.39 0.00 0.09 0.00 0.00 57.88 57.32 1dxv h LEU 91 Cb 0.17 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 40.99 1dxv h LEU 91 CO 0.00 0.31 -0.79 0.54 0.09 0.00 0.00 178.44 178.59 1dxv n ARG 92 N -4.91 -5.74 -2.40 1.13 1.74 0.82 -4.95 116.66 102.34 1dxv n ARG 92 Ca -0.07 0.71 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 1dxv n ARG 92 Cb 0.16 -5.48 -0.03 0.00 -1.02 0.00 0.00 32.46 26.09 1dxv n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dxv s VAL 93 N -3.51 4.05 0.31 1.55 1.01 -1.26 -4.97 120.40 117.58 1dxv s VAL 93 Ca 0.09 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 1dxv s VAL 93 Cb -0.04 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 1dxv s VAL 93 CO 0.78 0.05 1.43 -0.67 0.00 0.00 0.00 175.10 176.70 1dxv n ASP 94 N 4.59 3.25 0.23 3.32 -0.08 -1.26 -4.81 116.55 121.80 1dxv n ASP 94 Ca 0.10 1.18 0.18 0.00 -1.51 0.00 0.00 54.79 54.75 1dxv n ASP 94 Cb 0.46 -1.53 0.85 0.00 2.34 0.00 0.00 41.12 43.24 1dxv n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dxv h PRO 95 N 3.56 0.00 -0.26 -0.67 0.11 -2.00 -1.90 132.00 130.83 1dxv h PRO 95 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1dxv h PRO 95 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1dxv h PRO 95 CO 0.70 0.00 0.13 0.28 -0.21 0.00 0.00 178.00 178.90 1dxv h VAL 96 N 0.00 1.09 0.00 3.15 2.07 -2.04 -2.56 116.25 117.96 1dxv h VAL 96 Ca 0.08 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1dxv h VAL 96 Cb 0.62 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1dxv h VAL 96 CO -0.00 0.10 -0.11 0.78 0.02 0.00 0.00 177.57 178.36 1dxv h ASN 97 N 0.36 0.00 -0.49 0.57 4.21 -1.70 -2.96 115.58 115.58 1dxv h ASN 97 Ca 0.09 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 1dxv h ASN 97 Cb 0.03 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 1dxv h ASN 97 CO -0.01 0.11 0.13 -0.26 -1.29 0.00 0.00 177.43 176.11 1dxv h PHE 98 N 0.00 0.86 -0.12 1.19 -1.00 -1.64 -2.11 116.94 114.12 1dxv h PHE 98 Ca -0.00 -0.08 -0.11 0.00 2.81 0.00 0.00 57.97 60.59 1dxv h PHE 98 Cb 0.46 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1dxv h PHE 98 CO 0.00 0.73 -0.39 1.57 -1.61 0.00 0.00 178.31 178.60 1dxv h LYS 99 N 0.81 0.26 -0.07 1.51 2.10 -1.67 -0.90 116.57 118.61 1dxv h LYS 99 Ca 0.18 -0.12 -0.05 0.00 -2.00 0.00 0.00 60.65 58.66 1dxv h LYS 99 Cb 0.30 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1dxv h LYS 99 CO -0.00 0.62 -0.14 -0.07 -2.00 0.00 0.00 179.45 177.86 1dxv h LEU 100 N 0.22 0.25 -0.76 7.07 3.38 -1.52 -1.94 115.31 122.02 1dxv h LEU 100 Ca 0.02 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1dxv h LEU 100 Cb 0.80 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1dxv h LEU 100 CO 0.06 0.76 0.32 0.25 0.09 0.00 0.00 178.44 179.92 1dxv h LEU 101 N -0.25 1.03 -0.49 1.67 6.46 -1.32 -2.25 115.31 120.16 1dxv h LEU 101 Ca 0.00 -0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1dxv h LEU 101 Cb 0.71 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 1dxv h LEU 101 CO 0.03 0.91 0.19 0.28 -0.62 0.00 0.00 178.44 179.24 1dxv h SER 102 N 1.09 0.22 -0.47 1.25 0.02 -1.12 0.14 113.55 114.69 1dxv h SER 102 Ca 0.25 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1dxv h SER 102 Cb 0.19 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1dxv h SER 102 CO -0.02 0.16 0.30 -0.74 -1.14 0.00 0.00 176.83 175.38 1dxv h HIS 103 N 0.38 0.60 -0.20 3.45 -0.00 -1.20 -1.11 115.15 117.07 1dxv h HIS 103 Ca 0.23 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.52 1dxv h HIS 103 Cb 0.22 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1dxv h HIS 103 CO -0.15 0.40 -0.26 0.00 -0.00 0.00 0.00 177.93 177.93 1dxv h LEU 105 N 0.33 0.89 -0.58 0.00 5.85 -0.38 -1.91 115.31 119.51 1dxv h LEU 105 Ca 0.05 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1dxv h LEU 105 Cb 0.63 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1dxv h LEU 105 CO 0.05 0.98 0.38 0.25 -0.34 0.00 0.00 178.44 179.75 1dxv h LEU 106 N 0.76 0.66 -0.78 2.25 5.85 -0.82 0.36 115.31 123.60 1dxv h LEU 106 Ca 0.14 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1dxv h LEU 106 Cb 0.53 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1dxv h LEU 106 CO 0.03 0.49 0.27 0.58 -0.34 0.00 0.00 178.44 179.46 1dxv h VAL 107 N 0.78 1.26 -0.07 1.05 2.07 -1.05 0.53 116.25 120.82 1dxv h VAL 107 Ca 0.21 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1dxv h VAL 107 Cb -0.08 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1dxv h VAL 107 CO -0.04 0.35 0.03 0.74 0.02 0.00 0.00 177.57 178.67 1dxv h THR 108 N 1.14 1.14 -0.13 2.57 2.02 -0.94 -1.18 112.91 117.53 1dxv h THR 108 Ca 0.25 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1dxv h THR 108 Cb 0.28 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1dxv h THR 108 CO -0.01 0.12 0.04 -0.07 0.37 0.00 0.00 175.52 175.97 1dxv h LEU 109 N -0.04 0.04 -0.72 2.58 4.07 -0.78 -2.36 115.31 118.11 1dxv h LEU 109 Ca 0.02 0.01 0.12 0.00 0.08 0.00 0.00 57.88 58.12 1dxv h LEU 109 Cb 0.16 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.83 1dxv h LEU 109 CO -0.00 0.05 0.31 0.00 -1.08 0.00 0.00 178.44 177.71 1dxv h ALA 110 N 1.08 1.00 0.00 1.53 0.00 -0.61 0.12 119.26 122.37 1dxv h ALA 110 Ca 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1dxv h ALA 110 Cb 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dxv h ALA 110 CO -0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 1dxv h ALA 111 N 1.49 1.02 0.00 0.00 0.00 -0.94 -3.29 119.26 117.55 1dxv h ALA 111 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1dxv h ALA 111 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dxv h ALA 111 CO -0.34 0.06 -1.08 0.72 0.00 0.00 0.00 179.25 178.61 1dxv n HIS 112 N -3.18 0.00 -3.39 0.00 -0.00 -0.50 -4.78 115.22 103.37 1dxv n HIS 112 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1dxv n HIS 112 Cb 0.32 -0.14 -0.08 0.00 -0.00 0.00 0.00 29.99 30.08 1dxv n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1dxv n LEU 113 N -1.61 3.44 -0.18 2.41 4.77 0.29 -4.92 117.00 121.18 1dxv n LEU 113 Ca -0.00 -5.38 -0.02 0.00 -0.03 0.00 0.00 56.01 50.58 1dxv n LEU 113 Cb 0.23 -0.54 0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1dxv n LEU 113 CO 0.22 2.06 0.98 1.55 -1.33 0.00 0.00 177.39 180.88 1dxv h PRO 114 N 4.15 0.38 -0.27 3.23 0.13 -1.84 -2.00 132.00 135.77 1dxv h PRO 114 Ca 0.19 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 1dxv h PRO 114 Cb 0.68 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1dxv h PRO 114 CO 0.80 0.25 -0.53 0.00 -0.23 0.00 0.00 178.00 178.29 1dxv h ALA 115 N 1.38 0.54 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.34 1dxv h ALA 115 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dxv h ALA 115 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1dxv h ALA 115 CO -0.27 0.68 -0.66 0.39 0.00 0.00 0.00 179.25 179.39 1dxv n GLU 116 N -4.00 0.25 -1.77 0.00 4.71 -1.11 -4.63 120.64 114.09 1dxv n GLU 116 Ca -0.04 0.06 -0.40 0.00 -0.01 0.00 0.00 57.16 56.77 1dxv n GLU 116 Cb 0.61 -1.65 -0.01 0.00 -1.01 0.00 0.00 31.44 29.39 1dxv n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1dxv n PHE 117 N -2.00 2.66 -1.91 -0.32 7.35 -0.77 -4.75 117.46 117.72 1dxv n PHE 117 Ca 0.03 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.50 1dxv n PHE 117 Cb 0.42 -2.15 0.06 0.00 0.35 0.00 0.00 39.48 38.17 1dxv n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dxv s THR 118 N 0.62 2.85 0.24 -2.13 -4.23 -1.26 -4.78 115.64 106.95 1dxv s THR 118 Ca 0.57 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 1dxv s THR 118 Cb 0.17 -3.27 0.20 0.00 1.34 0.00 0.00 72.50 70.94 1dxv s THR 118 CO -0.07 -0.35 1.77 -0.65 -0.54 0.00 0.00 174.62 174.78 1dxv h PRO 119 N -0.81 0.57 -0.45 3.99 0.11 -1.99 0.13 132.00 133.56 1dxv h PRO 119 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1dxv h PRO 119 Cb 1.29 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1dxv h PRO 119 CO 0.65 0.38 0.10 0.00 -0.21 0.00 0.00 178.00 178.92 1dxv h ALA 120 N 1.48 0.60 -0.49 -0.75 0.00 -1.96 -1.27 119.26 116.86 1dxv h ALA 120 Ca 0.39 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1dxv h ALA 120 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dxv h ALA 120 CO -0.31 0.29 -0.07 0.28 0.00 0.00 0.00 179.25 179.44 1dxv h VAL 121 N 0.60 1.27 -0.19 0.00 2.07 -1.68 -2.22 116.25 116.11 1dxv h VAL 121 Ca 0.14 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1dxv h VAL 121 Cb 0.33 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1dxv h VAL 121 CO 0.00 0.41 -0.09 -0.74 0.02 0.00 0.00 177.57 177.18 1dxv h HIS 122 N 0.77 -0.21 -0.29 1.57 6.17 -0.57 0.12 115.15 122.72 1dxv h HIS 122 Ca 0.13 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.26 1dxv h HIS 122 Cb 0.61 0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.63 1dxv h HIS 122 CO 0.05 -0.14 0.10 0.00 0.71 0.00 0.00 177.93 178.65 1dxv h ALA 123 N 1.10 0.33 -0.77 5.26 0.00 -1.09 -1.34 119.26 122.75 1dxv h ALA 123 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dxv h ALA 123 Cb 0.22 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1dxv h ALA 123 CO -0.23 -0.30 0.42 0.77 0.00 0.00 0.00 179.25 179.91 1dxv h SER 124 N 0.23 0.95 -0.35 0.00 0.02 -0.89 -1.69 113.55 111.82 1dxv h SER 124 Ca 0.13 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1dxv h SER 124 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1dxv h SER 124 CO -0.13 0.77 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.04 1dxv h LEU 125 N 1.06 0.86 -0.26 5.07 3.38 -0.46 0.00 115.31 124.97 1dxv h LEU 125 Ca 0.27 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dxv h LEU 125 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1dxv h LEU 125 CO -0.04 1.06 0.17 -0.78 0.09 0.00 0.00 178.44 178.93 1dxv h ASP 126 N 0.74 0.30 -0.60 -0.43 3.58 -0.94 0.51 116.42 119.58 1dxv h ASP 126 Ca 0.10 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1dxv h ASP 126 Cb 0.76 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 1dxv h ASP 126 CO 0.06 0.23 0.27 0.11 -2.88 0.00 0.00 179.24 177.03 1dxv h LYS 127 N 0.34 0.87 -0.24 0.28 1.57 -1.18 -1.62 116.57 116.59 1dxv h LYS 127 Ca 0.09 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dxv h LYS 127 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1dxv h LYS 127 CO -0.02 0.72 0.16 0.35 -0.57 0.00 0.00 179.45 180.08 1dxv h PHE 128 N 0.82 0.29 -0.39 -1.35 3.57 -0.52 -0.45 116.94 118.92 1dxv h PHE 128 Ca 0.20 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1dxv h PHE 128 Cb 0.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1dxv h PHE 128 CO 0.00 0.18 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.18 1dxv h LEU 129 N 0.32 0.60 -0.95 0.59 3.38 -0.75 -0.28 115.31 118.23 1dxv h LEU 129 Ca 0.09 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1dxv h LEU 129 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1dxv h LEU 129 CO -0.03 0.68 0.09 0.00 0.09 0.00 0.00 178.44 179.28 1dxv h ALA 130 N 1.39 1.14 -0.14 1.53 0.00 -0.89 -1.03 119.26 121.26 1dxv h ALA 130 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1dxv h ALA 130 Cb 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dxv h ALA 130 CO 0.02 0.57 -0.04 0.77 0.00 0.00 0.00 179.25 180.57 1dxv h SER 131 N 0.81 0.27 -0.34 0.00 0.02 -0.13 -0.32 113.55 113.86 1dxv h SER 131 Ca 0.17 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1dxv h SER 131 Cb 0.36 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1dxv h SER 131 CO 0.01 0.58 0.17 0.58 -1.14 0.00 0.00 176.83 177.03 1dxv h VAL 132 N -0.05 0.99 -0.57 2.27 2.07 -0.97 -1.12 116.25 118.87 1dxv h VAL 132 Ca 0.03 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1dxv h VAL 132 Cb 0.47 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1dxv h VAL 132 CO 0.01 0.07 0.31 0.28 0.02 0.00 0.00 177.57 178.26 1dxv h SER 133 N 0.36 0.47 -0.42 0.57 0.02 -1.02 0.39 113.55 113.91 1dxv h SER 133 Ca 0.14 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1dxv h SER 133 Cb 0.05 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1dxv h SER 133 CO -0.10 0.31 0.25 0.74 -1.14 0.00 0.00 176.83 176.90 1dxv h THR 134 N 0.60 1.14 -0.49 -2.27 2.02 -0.60 -2.18 112.91 111.12 1dxv h THR 134 Ca 0.25 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1dxv h THR 134 Cb 0.13 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1dxv h THR 134 CO -0.15 0.14 0.21 0.58 0.37 0.00 0.00 175.52 176.66 1dxv h VAL 135 N 0.55 1.21 0.00 3.16 2.07 -0.71 -1.14 116.25 121.39 1dxv h VAL 135 Ca 0.15 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1dxv h VAL 135 Cb 0.01 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1dxv h VAL 135 CO -0.03 0.24 0.00 -0.07 0.02 0.00 0.00 177.57 177.73 1dxv h LEU 136 N 0.65 0.00 -0.58 2.57 3.38 -0.63 -2.70 115.31 118.00 1dxv h LEU 136 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1dxv h LEU 136 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dxv h LEU 136 CO -0.02 0.00 -0.58 0.41 0.09 0.00 0.00 178.44 178.34 1dxv n THR 137 N -3.01 0.00 -0.31 0.22 -1.04 -0.85 -4.50 114.28 104.80 1dxv n THR 137 Ca -0.00 -0.21 0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1dxv n THR 137 Cb 0.23 1.14 0.34 0.00 -1.82 0.00 0.00 70.33 70.22 1dxv n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1dxv h SER 138 N 1.32 0.73 -0.61 8.00 0.02 -0.87 -2.84 113.55 119.30 1dxv h SER 138 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1dxv h SER 138 Cb 0.57 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1dxv h SER 138 CO 0.00 0.35 0.00 0.29 -1.14 0.00 0.00 176.83 176.33 1dxv n LYS 139 N -4.61 3.94 0.07 3.45 5.02 -1.26 -4.58 118.16 120.19 1dxv n LYS 139 Ca 0.19 -2.93 0.04 0.00 -2.02 0.00 0.00 58.31 53.59 1dxv n LYS 139 Cb 0.48 -1.96 0.45 0.00 -0.02 0.00 0.00 35.03 33.98 1dxv n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1dxv h TYR 140 N 3.90 0.38 0.00 2.13 -1.99 -1.82 -3.46 116.97 116.10 1dxv h TYR 140 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dxv h TYR 140 Cb 1.55 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1dxv h TYR 140 CO 0.81 0.29 0.00 2.89 -0.00 0.00 0.00 178.16 182.15