#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbf n SER 2 N 0.00 -0.20 -2.07 1.61 3.41 -1.26 -4.97 113.62 110.14 2dbf n SER 2 Ca 0.00 -1.32 -0.22 0.00 -0.26 0.00 0.00 58.87 57.07 2dbf n SER 2 Cb 0.00 -0.78 0.17 0.00 -0.26 0.00 0.00 64.21 63.33 2dbf n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dbf n SER 3 N -3.77 4.11 0.00 4.04 3.41 -1.26 -4.98 113.62 115.17 2dbf n SER 3 Ca 0.13 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 2dbf n SER 3 Cb 0.45 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2dbf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbf n GLY 4 N -1.11 1.83 2.73 5.00 0.00 -1.26 -5.02 105.19 107.36 2dbf n GLY 4 Ca 0.56 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2dbf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbf n SER 5 N 0.15 -7.95 -4.98 1.61 2.88 -1.26 -5.03 113.62 99.04 2dbf n SER 5 Ca 0.00 1.21 -0.20 0.00 -1.33 0.00 0.00 58.87 58.55 2dbf n SER 5 Cb 0.00 -5.31 0.01 0.00 -0.75 0.00 0.00 64.21 58.17 2dbf n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbf s SER 6 N -1.85 5.66 0.19 -3.46 0.15 -1.26 -4.77 113.70 108.36 2dbf s SER 6 Ca 0.06 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2dbf s SER 6 Cb -0.02 -1.03 0.01 0.00 -1.71 0.00 0.00 66.02 63.27 2dbf s SER 6 CO 0.77 -0.78 0.07 0.61 1.20 0.00 0.00 173.24 175.12 2dbf n GLY 7 N -1.98 1.48 2.18 9.45 0.00 -1.26 -4.95 105.19 110.11 2dbf n GLY 7 Ca 0.05 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 2dbf n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dbf n ASP 8 N -2.96 4.97 -0.04 1.61 9.92 -0.52 -4.26 116.55 125.26 2dbf n ASP 8 Ca 0.01 -3.56 -0.05 0.00 -0.53 0.00 0.00 54.79 50.66 2dbf n ASP 8 Cb 0.05 -0.87 -0.14 0.00 -0.64 0.00 0.00 41.12 39.52 2dbf n ASP 8 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2dbf n MET 9 N -0.94 0.66 -0.00 -1.24 2.81 -1.23 -4.19 117.12 112.99 2dbf n MET 9 Ca 0.57 0.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.69 2dbf n MET 9 Cb 1.28 -1.66 0.56 0.00 -0.71 0.00 0.00 33.22 32.70 2dbf n MET 9 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2dbf h LYS 10 N 0.00 0.25 -0.11 0.03 1.57 -1.91 0.05 116.57 116.45 2dbf h LYS 10 Ca -0.33 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2dbf h LYS 10 Cb 1.90 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 2dbf h LYS 10 CO 0.04 0.16 -0.12 -0.56 -0.57 0.00 0.00 179.45 178.41 2dbf h GLN 11 N 0.26 0.16 -6.55 3.15 3.07 -1.89 -3.42 115.11 109.88 2dbf h GLN 11 Ca 0.22 -0.03 -0.53 0.00 0.09 0.00 0.00 58.65 58.40 2dbf h GLN 11 Cb 0.53 -0.02 0.02 0.00 0.08 0.00 0.00 27.48 28.09 2dbf h GLN 11 CO -0.04 0.30 0.71 -0.51 0.09 0.00 0.00 178.83 179.37 2dbf s LEU 12 N -8.77 4.37 0.68 0.06 1.43 0.00 -4.99 118.68 111.46 2dbf s LEU 12 Ca -0.05 2.31 -0.15 0.00 -1.03 0.00 0.00 54.13 55.21 2dbf s LEU 12 Cb 0.16 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.80 2dbf s LEU 12 CO 0.72 -0.63 1.15 0.00 0.23 0.00 0.00 176.35 177.82 2dbf s ALA 13 N 1.03 2.34 0.49 4.21 0.00 -1.26 -4.91 121.76 123.67 2dbf s ALA 13 Ca 0.64 0.71 0.14 0.00 0.00 0.00 0.00 51.96 53.45 2dbf s ALA 13 Cb -0.36 -3.38 1.18 0.00 0.00 0.00 0.00 23.12 20.55 2dbf s ALA 13 CO 0.31 -1.49 2.12 1.49 0.00 0.00 0.00 175.76 178.19 2dbf h GLU 14 N -0.02 0.13 -0.19 0.00 4.57 -1.94 -1.37 114.58 115.76 2dbf h GLU 14 Ca -0.47 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.58 2dbf h GLU 14 Cb 1.27 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 2dbf h GLU 14 CO 0.52 0.09 -0.40 -0.44 -1.18 0.00 0.00 179.01 177.60 2dbf h ASP 15 N 0.13 0.47 -0.56 1.04 5.19 -1.98 -0.53 116.42 120.17 2dbf h ASP 15 Ca 0.05 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 2dbf h ASP 15 Cb 0.05 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 2dbf h ASP 15 CO -0.01 0.82 0.29 0.58 -3.12 0.00 0.00 179.24 177.80 2dbf h VAL 16 N 0.37 1.20 0.01 -1.35 2.07 -1.59 -2.56 116.25 114.40 2dbf h VAL 16 Ca 0.03 -0.53 -0.20 0.00 0.82 0.00 0.00 66.70 66.83 2dbf h VAL 16 Cb 0.87 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2dbf h VAL 16 CO 0.07 0.22 -0.95 0.11 0.02 0.00 0.00 177.57 177.04 2dbf h LYS 17 N 0.76 0.03 -0.38 1.57 6.56 -1.45 -3.19 116.57 120.47 2dbf h LYS 17 Ca 0.20 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.75 2dbf h LYS 17 Cb 0.08 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 2dbf h LYS 17 CO -0.03 0.96 0.25 -0.07 -2.06 0.00 0.00 179.45 178.50 2dbf h LEU 18 N 0.01 0.42 -0.05 2.94 3.38 -0.82 -2.04 115.31 119.15 2dbf h LEU 18 Ca -0.02 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 2dbf h LEU 18 Cb 1.67 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2dbf h LEU 18 CO 0.13 0.31 -1.07 1.56 0.09 0.00 0.00 178.44 179.46 2dbf h GLN 19 N 0.50 0.34 -0.44 1.13 4.20 -1.49 -3.23 115.11 116.11 2dbf h GLN 19 Ca 0.14 -0.44 0.06 0.00 0.06 0.00 0.00 58.65 58.47 2dbf h GLN 19 Cb -0.04 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2dbf h GLN 19 CO -0.03 1.14 0.30 -0.07 -0.67 0.00 0.00 178.83 179.50 2dbf h LEU 20 N 0.15 0.32 -0.83 1.46 3.38 -1.36 -1.53 115.31 116.91 2dbf h LEU 20 Ca -0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2dbf h LEU 20 Cb 1.74 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.38 2dbf h LEU 20 CO 0.18 0.21 0.44 1.88 0.09 0.00 0.00 178.44 181.24 2dbf h TYR 21 N 0.37 1.17 -0.53 1.13 0.05 -1.52 -1.00 116.97 116.64 2dbf h TYR 21 Ca 0.19 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 2dbf h TYR 21 Cb 0.29 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 2dbf h TYR 21 CO -0.00 0.83 0.13 0.87 -1.05 0.00 0.00 178.16 178.93 2dbf h LYS 22 N 1.17 0.85 0.53 4.88 1.57 -1.41 0.76 116.57 124.92 2dbf h LYS 22 Ca 0.29 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2dbf h LYS 22 Cb 0.07 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.27 2dbf h LYS 22 CO -0.04 0.80 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.32 2dbf h LEU 23 N 0.74 -0.60 -2.13 2.94 3.38 -1.25 -2.96 115.31 115.44 2dbf h LEU 23 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dbf h LEU 23 Cb 0.34 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dbf h LEU 23 CO 0.00 -0.28 -0.05 -0.07 0.09 0.00 0.00 178.44 178.13 2dbf h LEU 24 N -0.93 0.00 -2.20 1.67 3.38 -1.20 -1.71 115.31 114.31 2dbf h LEU 24 Ca -0.07 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2dbf h LEU 24 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dbf h LEU 24 CO 0.12 0.05 0.16 -0.33 0.09 0.00 0.00 178.44 178.53 2dbf h GLU 25 N 0.00 0.00 -6.30 1.13 4.39 -0.66 -1.94 114.58 111.20 2dbf h GLU 25 Ca -0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 2dbf h GLU 25 Cb 0.10 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2dbf h GLU 25 CO 0.01 0.00 1.27 0.42 -1.16 0.00 0.00 179.01 179.55 2dbf s ILE 26 N -4.75 3.02 -1.13 3.13 1.01 -0.65 -4.85 121.20 116.98 2dbf s ILE 26 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 2dbf s ILE 26 Cb 0.16 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.55 2dbf s ILE 26 CO 0.59 -0.00 2.33 -0.81 0.00 0.00 0.00 174.94 177.05 2dbf n PRO 27 N 7.72 2.51 -4.16 2.79 -0.04 -1.26 -3.65 135.00 138.91 2dbf n PRO 27 Ca 0.21 -1.78 -0.25 0.00 -0.04 0.00 0.00 63.50 61.65 2dbf n PRO 27 Cb 0.42 -2.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 2dbf n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dbf s ASP 28 N 3.23 5.16 0.39 3.54 1.01 -1.26 -5.00 116.67 123.75 2dbf s ASP 28 Ca 0.50 -0.32 0.16 0.00 0.71 0.00 0.00 52.55 53.60 2dbf s ASP 28 Cb 0.13 -1.22 0.81 0.00 1.01 0.00 0.00 42.92 43.65 2dbf s ASP 28 CO -0.03 0.03 1.84 1.55 0.21 0.00 0.00 175.17 178.77 2dbf h PRO 29 N 2.14 0.00 -0.09 8.23 0.13 -1.99 -3.01 132.00 137.41 2dbf h PRO 29 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2dbf h PRO 29 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 2dbf h PRO 29 CO 0.61 0.34 -0.72 -0.25 -0.23 0.00 0.00 178.00 177.75 2dbf n ASP 30 N -3.91 1.77 -1.58 1.44 8.00 -1.26 -4.72 116.55 116.30 2dbf n ASP 30 Ca -0.02 -3.22 -0.05 0.00 0.71 0.00 0.00 54.79 52.21 2dbf n ASP 30 Cb 0.41 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 41.07 2dbf n ASP 30 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dbf n LYS 31 N -0.57 0.46 -4.24 -1.24 5.02 -1.19 -4.51 118.16 111.88 2dbf n LYS 31 Ca 0.17 -1.19 -0.24 0.00 -2.02 0.00 0.00 58.31 55.02 2dbf n LYS 31 Cb 0.86 0.39 -0.07 0.00 -0.02 0.00 0.00 35.03 36.19 2dbf n LYS 31 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2dbf s ASN 32 N -1.18 4.72 0.37 4.39 3.04 -1.14 -4.10 114.94 121.03 2dbf s ASN 32 Ca 0.05 -0.51 0.09 0.00 0.04 0.00 0.00 52.86 52.53 2dbf s ASN 32 Cb 0.17 -0.96 0.71 0.00 -1.54 0.00 0.00 41.25 39.62 2dbf s ASN 32 CO -0.05 0.03 1.87 4.11 -3.04 0.00 0.00 177.10 180.02 2dbf h TRP 33 N 2.15 0.27 -0.37 0.43 5.08 -1.61 -2.86 115.95 119.04 2dbf h TRP 33 Ca -0.46 -0.04 -0.02 0.00 1.08 0.00 0.00 58.89 59.45 2dbf h TRP 33 Cb 1.23 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 27.30 2dbf h TRP 33 CO 0.65 0.43 0.15 0.00 -1.28 0.00 0.00 178.44 178.39 2dbf h ALA 34 N 1.58 0.49 -0.44 0.11 0.00 -1.96 -2.43 119.26 116.61 2dbf h ALA 34 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dbf h ALA 34 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2dbf h ALA 34 CO 0.03 0.08 0.27 1.15 0.00 0.00 0.00 179.25 180.78 2dbf h THR 35 N 0.46 1.12 -0.21 0.00 2.02 -1.86 -1.73 112.91 112.72 2dbf h THR 35 Ca 0.13 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 2dbf h THR 35 Cb 0.18 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2dbf h THR 35 CO -0.01 0.13 -0.33 0.25 0.37 0.00 0.00 175.52 175.92 2dbf h LEU 36 N 0.60 0.44 -1.91 2.58 5.85 -1.33 -2.74 115.31 118.80 2dbf h LEU 36 Ca 0.16 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2dbf h LEU 36 Cb -0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2dbf h LEU 36 CO -0.03 0.75 0.09 0.00 -0.34 0.00 0.00 178.44 178.90 2dbf h ALA 37 N 1.28 1.97 0.07 1.25 0.00 -0.84 0.10 119.26 123.10 2dbf h ALA 37 Ca 0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 2dbf h ALA 37 Cb 0.76 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.54 2dbf h ALA 37 CO 0.06 0.01 -1.02 1.96 0.00 0.00 0.00 179.25 180.26 2dbf h GLN 38 N 0.12 0.56 -0.03 0.00 4.20 -1.46 0.63 115.11 119.14 2dbf h GLN 38 Ca 0.05 -0.70 -0.01 0.00 0.06 0.00 0.00 58.65 58.06 2dbf h GLN 38 Cb 0.07 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2dbf h GLN 38 CO -0.01 1.30 -0.01 0.87 -0.67 0.00 0.00 178.83 180.31 2dbf h LYS 39 N 0.14 0.06 0.64 1.46 6.56 -1.25 -3.33 116.57 120.85 2dbf h LYS 39 Ca -0.15 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.39 2dbf h LYS 39 Cb 1.71 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.38 2dbf h LYS 39 CO 0.20 0.43 -0.31 -0.07 -2.06 0.00 0.00 179.45 177.64 2dbf h LEU 40 N -0.32 -0.73 0.00 2.94 3.38 -0.94 -3.48 115.31 116.17 2dbf h LEU 40 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dbf h LEU 40 Cb 0.41 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2dbf h LEU 40 CO 0.00 -0.52 0.00 0.61 0.09 0.00 0.00 178.44 178.62 2dbf n GLY 41 N -1.42 0.00 1.53 0.83 0.00 -0.96 -5.06 105.19 100.11 2dbf n GLY 41 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2dbf n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dbf n LEU 42 N 0.00 0.41 0.28 0.99 4.77 0.21 -4.90 117.00 118.77 2dbf n LEU 42 Ca 0.00 -2.14 0.16 0.00 -0.03 0.00 0.00 56.01 54.00 2dbf n LEU 42 Cb 0.00 0.05 0.81 0.00 -2.33 0.00 0.00 43.42 41.95 2dbf n LEU 42 CO 0.00 0.87 1.02 1.23 -1.33 0.00 0.00 177.39 179.17 2dbf h GLY 43 N 0.87 0.00 1.82 -0.72 0.00 -1.54 -2.43 103.07 101.08 2dbf h GLY 43 Ca -0.32 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 2dbf h GLY 43 CO -0.01 0.00 -0.67 1.19 0.00 0.00 0.00 176.54 177.05 2dbf h ILE 44 N 0.00 1.43 -0.85 2.60 6.09 -1.90 -3.05 117.51 121.82 2dbf h ILE 44 Ca -0.00 -2.16 -0.41 0.00 -1.37 0.00 0.00 64.86 60.92 2dbf h ILE 44 Cb 0.33 2.14 -0.24 0.00 0.47 0.00 0.00 36.82 39.52 2dbf h ILE 44 CO 0.01 0.63 0.52 0.18 -3.07 0.00 0.00 178.15 176.42 2dbf n LEU 45 N -3.81 6.25 0.15 2.19 4.77 -0.92 -4.44 117.00 121.21 2dbf n LEU 45 Ca -0.02 -3.32 0.01 0.00 -0.03 0.00 0.00 56.01 52.65 2dbf n LEU 45 Cb 0.66 -0.79 0.30 0.00 -2.33 0.00 0.00 43.42 41.26 2dbf n LEU 45 CO 0.45 0.94 0.68 -1.13 -1.33 0.00 0.00 177.39 177.00 2dbf h ASN 46 N 1.27 0.07 -0.25 -1.43 -0.73 -1.52 -2.93 115.58 110.06 2dbf h ASN 46 Ca 0.50 -0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.58 2dbf h ASN 46 Cb 2.59 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 41.15 2dbf h ASN 46 CO 0.93 0.47 -0.10 -1.13 -0.37 0.00 0.00 177.43 177.23 2dbf h ASN 47 N 0.06 0.53 -0.90 1.15 -1.24 -1.85 -1.94 115.58 111.39 2dbf h ASN 47 Ca 0.00 -0.39 0.02 0.00 0.71 0.00 0.00 56.30 56.64 2dbf h ASN 47 Cb 0.74 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.59 2dbf h ASN 47 CO 0.05 0.80 0.59 0.00 -1.29 0.00 0.00 177.43 177.59 2dbf h ALA 48 N 0.74 1.17 -0.29 1.57 0.00 -1.87 -0.68 119.26 119.90 2dbf h ALA 48 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2dbf h ALA 48 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dbf h ALA 48 CO 0.03 0.48 -0.04 0.74 0.00 0.00 0.00 179.25 180.46 2dbf h PHE 49 N 1.17 0.60 -0.13 0.00 0.04 -1.46 -2.05 116.94 115.12 2dbf h PHE 49 Ca 0.35 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 61.00 2dbf h PHE 49 Cb -0.06 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 2dbf h PHE 49 CO -0.01 0.72 0.08 -0.09 -0.60 0.00 0.00 178.31 178.41 2dbf h ARG 50 N 0.32 0.17 -0.15 1.51 2.43 -0.98 -2.25 114.38 115.43 2dbf h ARG 50 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2dbf h ARG 50 Cb 0.50 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2dbf h ARG 50 CO 0.02 0.12 0.04 -0.07 -1.51 0.00 0.00 179.97 178.58 2dbf h LEU 51 N 0.16 0.18-10.18 3.80 3.38 -1.12 -3.44 115.31 108.10 2dbf h LEU 51 Ca 0.05 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.48 2dbf h LEU 51 Cb -0.01 -0.05 0.14 0.00 0.09 0.00 0.00 40.66 40.84 2dbf h LEU 51 CO -0.01 0.19 0.39 -0.44 0.09 0.00 0.00 178.44 178.65 2dbf s SER 52 N -6.91 4.45 0.24 -0.43 0.01 -0.78 -4.92 113.70 105.35 2dbf s SER 52 Ca -0.06 2.25 -0.05 0.00 1.31 0.00 0.00 55.95 59.40 2dbf s SER 52 Cb 0.17 -2.58 0.41 0.00 0.21 0.00 0.00 66.02 64.23 2dbf s SER 52 CO 0.70 -2.09 1.74 -0.65 0.41 0.00 0.00 173.24 173.36 2dbf h PRO 53 N -0.21 0.47 -3.12 12.44 0.11 -1.84 -3.33 132.00 136.52 2dbf h PRO 53 Ca -0.47 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.00 2dbf h PRO 53 Cb 1.28 -0.11 -0.40 0.00 0.11 0.00 0.00 31.00 31.88 2dbf h PRO 53 CO 0.51 0.31 -0.73 0.00 -0.21 0.00 0.00 178.00 177.88 2dbf s ALA 54 N -6.03 2.23 0.18 -0.75 0.00 -1.26 -5.00 121.76 111.12 2dbf s ALA 54 Ca -0.12 -2.58 -0.17 0.00 0.00 0.00 0.00 51.96 49.08 2dbf s ALA 54 Cb 0.20 -1.90 0.12 0.00 0.00 0.00 0.00 23.12 21.54 2dbf s ALA 54 CO 0.76 -2.02 1.65 -1.35 0.00 0.00 0.00 175.76 174.80 2dbf h PRO 55 N 6.85 -0.04 -0.07 0.00 0.11 -1.66 0.70 132.00 137.89 2dbf h PRO 55 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2dbf h PRO 55 Cb 0.93 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2dbf h PRO 55 CO 0.50 -0.03 0.03 0.66 -0.21 0.00 0.00 178.00 178.95 2dbf h SER 56 N -0.04 0.08 0.54 -2.05 4.64 -1.93 0.36 113.55 115.14 2dbf h SER 56 Ca 0.21 -0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.24 2dbf h SER 56 Cb 0.37 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2dbf h SER 56 CO -0.48 0.07 -1.40 0.50 -0.87 0.00 0.00 176.83 174.65 2dbf h LYS 57 N 0.09 0.26 -0.10 4.77 3.64 -1.30 -3.31 116.57 120.62 2dbf h LYS 57 Ca 0.02 -0.44 -0.13 0.00 -1.27 0.00 0.00 60.65 58.84 2dbf h LYS 57 Cb 0.02 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2dbf h LYS 57 CO -0.00 1.15 -0.51 1.15 -2.27 0.00 0.00 179.45 178.97 2dbf h THR 58 N 0.07 1.35 -0.94 1.00 2.02 0.10 -2.91 112.91 113.60 2dbf h THR 58 Ca -0.19 -1.75 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 2dbf h THR 58 Cb 2.00 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 70.19 2dbf h THR 58 CO 0.18 0.52 0.58 0.25 0.37 0.00 0.00 175.52 177.43 2dbf h LEU 59 N 0.22 1.11 -0.82 2.58 5.85 -1.04 -1.70 115.31 121.51 2dbf h LEU 59 Ca 0.01 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2dbf h LEU 59 Cb 0.97 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2dbf h LEU 59 CO 0.08 0.84 -0.57 0.24 -0.34 0.00 0.00 178.44 178.69 2dbf h MET 60 N 1.29 0.07 -0.18 1.25 2.86 -1.62 -1.12 114.93 117.47 2dbf h MET 60 Ca 0.34 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 2dbf h MET 60 Cb -0.08 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2dbf h MET 60 CO -0.07 0.62 -0.42 -0.44 1.06 0.00 0.00 176.91 177.66 2dbf h ASP 61 N 0.05 0.44 0.75 1.22 3.32 -1.18 -1.86 116.42 119.16 2dbf h ASP 61 Ca -0.00 -0.20 -0.25 0.00 0.02 0.00 0.00 57.03 56.60 2dbf h ASP 61 Cb 1.02 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 2dbf h ASP 61 CO 0.08 0.81 -1.28 0.78 -1.72 0.00 0.00 179.24 177.91 2dbf h ASN 62 N 0.34 0.12 -0.28 6.45 -0.26 -1.20 -3.08 115.58 117.68 2dbf h ASN 62 Ca 0.03 -0.16 -0.14 0.00 -0.56 0.00 0.00 56.30 55.47 2dbf h ASN 62 Cb 0.89 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 2dbf h ASN 62 CO 0.07 1.13 -0.35 0.22 -1.06 0.00 0.00 177.43 177.44 2dbf h TYR 63 N 0.02 0.96 -0.23 1.19 3.20 -1.12 0.12 116.97 121.11 2dbf h TYR 63 Ca -0.13 -0.27 -0.09 0.00 3.14 0.00 0.00 58.73 61.38 2dbf h TYR 63 Cb 1.89 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 2dbf h TYR 63 CO 0.02 1.04 -0.22 1.49 -1.64 0.00 0.00 178.16 178.86 2dbf h GLU 64 N 0.67 0.56 -0.08 1.82 4.81 -1.44 0.88 114.58 121.80 2dbf h GLU 64 Ca 0.06 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 2dbf h GLU 64 Cb 0.91 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2dbf h GLU 64 CO 0.08 0.87 -0.50 0.28 -0.73 0.00 0.00 179.01 179.01 2dbf h VAL 65 N 0.26 1.35 0.03 0.32 2.07 -1.52 -3.05 116.25 115.70 2dbf h VAL 65 Ca 0.04 -1.74 -0.22 0.00 0.82 0.00 0.00 66.70 65.59 2dbf h VAL 65 Cb 0.77 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2dbf h VAL 65 CO 0.05 0.52 -1.05 0.28 0.02 0.00 0.00 177.57 177.39 2dbf h SER 66 N 0.17 0.10 0.00 0.57 0.02 -0.91 -3.49 113.55 110.01 2dbf h SER 66 Ca 0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2dbf h SER 66 Cb 0.95 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2dbf h SER 66 CO 0.08 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 2dbf n GLY 67 N 1.38 0.64 3.88 -3.77 0.00 0.58 -4.97 105.19 102.93 2dbf n GLY 67 Ca -0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 2dbf n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dbf s GLY 68 N -0.39 2.05 0.47 -0.02 0.00 0.27 -4.75 107.32 104.95 2dbf s GLY 68 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 44.47 2dbf s GLY 68 CO 0.00 -0.14 0.05 -0.51 0.00 0.00 0.00 173.10 172.50 2dbf s THR 69 N -2.11 1.58 -0.14 0.90 -4.23 -1.26 -1.44 115.64 108.94 2dbf s THR 69 Ca 0.49 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 2dbf s THR 69 Cb -0.11 -2.52 -0.24 0.00 1.34 0.00 0.00 72.50 70.97 2dbf s THR 69 CO 0.27 0.00 0.37 0.58 -0.54 0.00 0.00 174.62 175.29 2dbf h VAL 70 N 1.46 0.80 -0.40 2.29 2.07 -1.99 -3.26 116.25 117.22 2dbf h VAL 70 Ca -0.43 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 64.83 2dbf h VAL 70 Cb 1.28 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 2dbf h VAL 70 CO 0.75 0.68 0.27 -0.09 0.02 0.00 0.00 177.57 179.20 2dbf h ARG 71 N -0.33 0.33 -0.00 1.57 2.43 -1.98 -0.51 114.38 115.89 2dbf h ARG 71 Ca -0.37 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.60 2dbf h ARG 71 Cb 1.76 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.22 2dbf h ARG 71 CO -0.01 0.22 -0.79 0.93 -1.51 0.00 0.00 179.97 178.81 2dbf h GLU 72 N 0.34 0.08 -0.04 0.20 5.08 -2.00 -2.19 114.58 116.05 2dbf h GLU 72 Ca 0.17 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 2dbf h GLU 72 Cb 0.25 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dbf h GLU 72 CO -0.04 0.83 -0.82 1.25 -1.00 0.00 0.00 179.01 179.23 2dbf h LEU 73 N 0.05 0.48 -0.19 1.33 5.85 -1.20 -1.66 115.31 119.98 2dbf h LEU 73 Ca -0.02 -0.35 -0.22 0.00 0.84 0.00 0.00 57.88 58.13 2dbf h LEU 73 Cb 1.39 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2dbf h LEU 73 CO 0.11 1.11 -0.91 0.58 -0.34 0.00 0.00 178.44 178.99 2dbf h VAL 74 N 0.25 1.37 -0.08 1.05 2.07 -1.17 -2.66 116.25 117.08 2dbf h VAL 74 Ca -0.05 -2.34 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 2dbf h VAL 74 Cb 1.42 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 2dbf h VAL 74 CO 0.14 0.71 -0.23 -0.33 0.02 0.00 0.00 177.57 177.87 2dbf h GLU 75 N 0.28 0.30 -0.55 1.57 4.39 -1.42 -2.88 114.58 116.26 2dbf h GLU 75 Ca -0.08 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.43 2dbf h GLU 75 Cb 1.54 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.19 2dbf h GLU 75 CO 0.16 0.83 0.35 0.00 -1.16 0.00 0.00 179.01 179.19 2dbf h ALA 76 N 0.47 0.70 -0.16 3.43 0.00 -1.39 -0.09 119.26 122.22 2dbf h ALA 76 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dbf h ALA 76 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dbf h ALA 76 CO 0.05 0.09 0.06 -0.07 0.00 0.00 0.00 179.25 179.38 2dbf h LEU 77 N 0.70 0.19 0.07 0.00 3.38 -1.53 -2.27 115.31 115.85 2dbf h LEU 77 Ca 0.21 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 2dbf h LEU 77 Cb -0.03 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.70 2dbf h LEU 77 CO -0.07 0.18 -1.03 -0.09 0.09 0.00 0.00 178.44 177.52 2dbf h ARG 78 N 0.22 0.58 -0.09 1.13 2.43 -1.10 0.26 114.38 117.81 2dbf h ARG 78 Ca 0.06 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2dbf h ARG 78 Cb 0.05 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2dbf h ARG 78 CO -0.01 1.30 0.06 1.96 -1.51 0.00 0.00 179.97 181.77 2dbf h GLN 79 N 0.17 0.11 0.22 0.20 4.20 -0.57 -2.46 115.11 116.98 2dbf h GLN 79 Ca -0.15 -0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.21 2dbf h GLN 79 Cb 1.72 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 29.50 2dbf h GLN 79 CO 0.20 0.07 -1.62 0.52 -0.67 0.00 0.00 178.83 177.33 2dbf h MET 80 N 0.11 0.47 0.00 1.46 2.86 -1.45 -3.48 114.93 114.90 2dbf h MET 80 Ca 0.03 -0.81 0.00 0.00 -2.06 0.00 0.00 59.70 56.87 2dbf h MET 80 Cb -0.00 0.30 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2dbf h MET 80 CO -0.01 1.39 0.00 0.41 1.06 0.00 0.00 176.91 179.76 2dbf n GLY 81 N 1.79 0.89 3.68 8.32 0.00 -0.87 -4.85 105.19 114.15 2dbf n GLY 81 Ca -0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 2dbf n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2dbf n TYR 82 N 0.00 2.41 -0.05 1.61 4.01 0.87 -4.86 117.16 121.14 2dbf n TYR 82 Ca 0.00 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 2dbf n TYR 82 Cb 0.00 -2.67 -0.07 0.00 -0.31 0.00 0.00 39.34 36.29 2dbf n TYR 82 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2dbf n THR 83 N 4.69 0.66 0.11 -0.72 -1.04 -1.26 -4.20 114.28 112.51 2dbf n THR 83 Ca 0.20 -0.37 -0.17 0.00 -2.04 0.00 0.00 64.05 61.67 2dbf n THR 83 Cb 0.32 -0.79 -0.14 0.00 -1.82 0.00 0.00 70.33 67.90 2dbf n THR 83 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2dbf h GLU 84 N 0.00 0.30 -0.23 -2.82 4.57 -1.98 -3.24 114.58 111.19 2dbf h GLU 84 Ca -0.26 -0.52 -0.01 0.00 -1.18 0.00 0.00 59.36 57.39 2dbf h GLU 84 Cb 1.54 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.31 2dbf h GLU 84 CO 0.00 1.25 0.10 0.00 -1.18 0.00 0.00 179.01 179.18 2dbf h ALA 85 N 0.53 1.75 -0.18 2.92 0.00 -1.97 -2.42 119.26 119.89 2dbf h ALA 85 Ca -0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2dbf h ALA 85 Cb 1.99 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 2dbf h ALA 85 CO 0.21 0.21 -0.28 0.82 0.00 0.00 0.00 179.25 180.21 2dbf h ILE 86 N 0.32 1.34 -0.49 0.00 2.04 -1.78 -3.13 117.51 115.81 2dbf h ILE 86 Ca 0.08 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.45 2dbf h ILE 86 Cb 0.05 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2dbf h ILE 86 CO -0.01 0.46 0.32 -0.33 0.00 0.00 0.00 178.15 178.59 2dbf h GLU 87 N 0.16 0.62 -0.08 2.37 5.08 -1.49 0.23 114.58 121.46 2dbf h GLU 87 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2dbf h GLU 87 Cb 0.86 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2dbf h GLU 87 CO 0.06 0.41 -0.02 0.28 -1.00 0.00 0.00 179.01 178.74 2dbf h VAL 88 N 0.64 1.07 0.09 3.13 2.07 -1.39 0.23 116.25 122.09 2dbf h VAL 88 Ca 0.18 -0.29 -0.37 0.00 0.82 0.00 0.00 66.70 67.04 2dbf h VAL 88 Cb -0.04 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2dbf h VAL 88 CO -0.04 0.09 -2.08 -0.38 0.02 0.00 0.00 177.57 175.18 2dbf n ILE 89 N -4.44 1.71 0.12 4.57 5.41 -0.49 -4.20 119.36 122.04 2dbf n ILE 89 Ca -0.02 -0.61 0.01 0.00 1.00 0.00 0.00 62.75 63.13 2dbf n ILE 89 Cb 0.15 -1.68 0.34 0.00 -0.71 0.00 0.00 39.64 37.73 2dbf n ILE 89 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2dbf h GLN 90 N 0.00 0.20 -0.41 0.38 4.20 -0.46 0.51 115.11 119.54 2dbf h GLN 90 Ca -0.46 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2dbf h GLN 90 Cb 1.97 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.71 2dbf h GLN 90 CO 0.03 0.44 0.27 0.00 -0.67 0.00 0.00 178.83 178.91 2dbf h ALA 91 N 1.57 1.71 0.00 3.87 0.00 -0.72 -3.31 119.26 122.38 2dbf h ALA 91 Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2dbf h ALA 91 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2dbf h ALA 91 CO 0.04 0.27 -1.58 0.00 0.00 0.00 0.00 179.25 177.98 2dbf n ALA 92 N -2.48 1.01 -1.77 0.00 0.00 -0.98 -4.98 120.51 111.31 2dbf n ALA 92 Ca 0.03 -0.92 -0.37 0.00 0.00 0.00 0.00 53.44 52.17 2dbf n ALA 92 Cb 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 2dbf n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dbf s SER 93 N -6.51 6.47 -0.28 0.00 0.01 0.18 -5.05 113.70 108.52 2dbf s SER 93 Ca -0.33 2.23 -0.20 0.00 1.31 0.00 0.00 55.95 58.97 2dbf s SER 93 Cb 0.08 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.80 2dbf s SER 93 CO 0.45 -0.70 0.78 -0.44 0.41 0.00 0.00 173.24 173.73 2dbf s SER 94 N -1.35 -0.77 -0.15 2.44 0.01 -1.26 -4.44 113.70 108.18 2dbf s SER 94 Ca 0.60 1.32 -0.19 0.00 1.31 0.00 0.00 55.95 58.99 2dbf s SER 94 Cb -0.27 1.33 -0.24 0.00 0.21 0.00 0.00 66.02 67.05 2dbf s SER 94 CO 0.34 -0.22 0.45 0.77 0.41 0.00 0.00 173.24 174.99 2dbf h SER 95 N 5.94 0.21 0.00 2.44 4.64 -1.97 -3.50 113.55 121.31 2dbf h SER 95 Ca -0.29 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.27 2dbf h SER 95 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2dbf h SER 95 CO 0.13 1.52 0.00 0.61 -0.87 0.00 0.00 176.83 178.22 2dbf n GLY 96 N 1.64 1.41 3.53 -0.77 0.00 -1.26 -5.05 105.19 104.69 2dbf n GLY 96 Ca -0.26 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2dbf n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dbf n PRO 97 N 0.00 0.55 -2.02 1.61 -0.02 -1.26 -4.91 135.00 128.94 2dbf n PRO 97 Ca 0.00 -0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 2dbf n PRO 97 Cb 0.00 -2.70 0.02 0.00 -0.02 0.00 0.00 33.50 30.79 2dbf n PRO 97 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2dbf s SER 98 N 9.65 6.04 -0.34 2.55 0.01 -1.26 -5.07 113.70 125.29 2dbf s SER 98 Ca 1.11 1.25 -0.00 0.00 1.31 0.00 0.00 55.95 59.61 2dbf s SER 98 Cb -0.53 -2.28 0.11 0.00 0.21 0.00 0.00 66.02 63.53 2dbf s SER 98 CO 0.32 -0.93 0.12 -0.94 0.41 0.00 0.00 173.24 172.22 2dbf s SER 99 N -4.21 3.96 0.00 2.44 1.04 -1.26 -5.26 113.70 110.40 2dbf s SER 99 Ca 0.54 -1.85 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2dbf s SER 99 Cb -0.11 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2dbf s SER 99 CO 0.52 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.96