#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 -8.35 -1.41 1.61 7.64 -1.26 -4.94 113.62 106.91 2dbf n SER 2 Ca 0.00 1.28 0.18 0.00 1.01 0.00 0.00 58.87 61.34 2dbf n SER 2 Cb 0.00 -4.70 -0.07 0.00 -1.01 0.00 0.00 64.21 58.43 2dbf n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dbf n SER 3 N 1.73 -8.45 0.00 6.43 7.64 -1.26 -5.06 113.62 114.65 2dbf n SER 3 Ca 0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2dbf n SER 3 Cb 0.00 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 58.67 2dbf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbf n GLY 4 N -4.26 1.00 2.60 0.23 0.00 -1.26 -5.05 105.19 98.45 2dbf n GLY 4 Ca -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 2dbf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dbf n SER 5 N 0.00 -3.15 0.00 1.61 7.64 -1.26 -5.05 113.62 113.41 2dbf n SER 5 Ca 0.00 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.22 2dbf n SER 5 Cb 0.00 -5.17 0.00 0.00 -1.01 0.00 0.00 64.21 58.03 2dbf n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dbf n SER 6 N 1.29 0.00 -3.52 6.43 3.41 -1.26 -5.10 113.62 114.86 2dbf n SER 6 Ca -0.26 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.25 2dbf n SER 6 Cb 0.40 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 2dbf n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dbf s GLY 7 N -2.60 -0.49 -0.42 5.00 0.00 -1.26 -4.25 107.32 103.30 2dbf s GLY 7 Ca 0.00 0.42 0.09 0.00 0.00 0.00 0.00 44.72 45.23 2dbf s GLY 7 CO 0.00 0.14 1.04 1.22 0.00 0.00 0.00 173.10 175.50 2dbf n ASP 8 N -0.38 3.70 -0.00 1.64 8.00 -0.58 -4.77 116.55 124.15 2dbf n ASP 8 Ca -0.13 -3.43 0.03 0.00 0.71 0.00 0.00 54.79 51.96 2dbf n ASP 8 Cb 0.63 -0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 41.12 2dbf n ASP 8 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2dbf n MET 9 N -0.32 0.65 -0.21 -1.24 2.81 -1.24 -4.23 117.12 113.33 2dbf n MET 9 Ca 0.30 0.03 0.10 0.00 -1.81 0.00 0.00 57.70 56.31 2dbf n MET 9 Cb 0.67 -1.66 0.38 0.00 -0.71 0.00 0.00 33.22 31.91 2dbf n MET 9 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2dbf h LYS 10 N 0.00 0.67 -0.68 0.03 3.11 -1.92 -0.80 116.57 116.98 2dbf h LYS 10 Ca -0.18 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.59 2dbf h LYS 10 Cb 1.48 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 32.53 2dbf h LYS 10 CO 0.02 0.44 0.32 -0.56 -2.81 0.00 0.00 179.45 176.86 2dbf h GLN 11 N 0.69 0.97 -7.14 1.90 3.07 -1.96 -3.43 115.11 109.20 2dbf h GLN 11 Ca 0.37 -0.13 -0.55 0.00 0.09 0.00 0.00 58.65 58.42 2dbf h GLN 11 Cb 0.49 -0.18 0.17 0.00 0.08 0.00 0.00 27.48 28.04 2dbf h GLN 11 CO -0.14 0.75 0.46 -0.51 0.09 0.00 0.00 178.83 179.48 2dbf s LEU 12 N -9.62 3.43 0.36 0.06 1.43 -0.31 -5.00 118.68 109.03 2dbf s LEU 12 Ca -0.11 2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 55.43 2dbf s LEU 12 Cb 0.16 -4.61 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 2dbf s LEU 12 CO 0.80 -2.23 0.72 0.00 0.23 0.00 0.00 176.35 175.86 2dbf s ALA 13 N -1.65 3.40 0.38 4.21 0.00 -1.26 -4.98 121.76 121.85 2dbf s ALA 13 Ca 0.79 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.61 2dbf s ALA 13 Cb -0.35 -2.64 0.74 0.00 0.00 0.00 0.00 23.12 20.88 2dbf s ALA 13 CO 0.43 0.13 1.97 1.49 0.00 0.00 0.00 175.76 179.78 2dbf h GLU 14 N 1.61 0.50 -0.43 0.00 4.81 -1.95 -2.19 114.58 116.93 2dbf h GLU 14 Ca -0.47 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 2dbf h GLU 14 Cb 1.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2dbf h GLU 14 CO 0.65 0.44 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.85 2dbf h ASP 15 N 0.49 0.73 -0.29 1.04 3.32 -1.98 0.12 116.42 119.85 2dbf h ASP 15 Ca 0.12 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2dbf h ASP 15 Cb 0.15 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2dbf h ASP 15 CO -0.01 0.85 0.07 0.58 -1.72 0.00 0.00 179.24 179.01 2dbf h VAL 16 N 0.69 1.22 0.00 -1.35 2.07 -1.75 -2.18 116.25 114.95 2dbf h VAL 16 Ca 0.12 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 2dbf h VAL 16 Cb 0.54 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2dbf h VAL 16 CO 0.03 0.24 -0.61 0.11 0.02 0.00 0.00 177.57 177.36 2dbf h LYS 17 N 0.30 0.00 -0.47 1.57 1.57 -1.38 -3.08 116.57 115.08 2dbf h LYS 17 Ca 0.09 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2dbf h LYS 17 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2dbf h LYS 17 CO 0.00 0.61 0.09 -0.07 -0.57 0.00 0.00 179.45 179.51 2dbf h LEU 18 N 0.00 0.74 -1.39 2.94 3.38 -0.77 -2.72 115.31 117.48 2dbf h LEU 18 Ca -0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2dbf h LEU 18 Cb 1.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dbf h LEU 18 CO 0.08 0.80 -0.27 1.56 0.09 0.00 0.00 178.44 180.71 2dbf h GLN 19 N 0.65 0.06 -0.67 1.13 4.20 -1.37 -2.64 115.11 116.47 2dbf h GLN 19 Ca 0.15 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.86 2dbf h GLN 19 Cb 0.37 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2dbf h GLN 19 CO 0.01 0.32 0.44 -0.07 -0.67 0.00 0.00 178.83 178.86 2dbf h LEU 20 N 0.05 0.73 -1.12 1.46 3.38 -1.40 -1.65 115.31 116.77 2dbf h LEU 20 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2dbf h LEU 20 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2dbf h LEU 20 CO 0.04 0.52 0.04 1.88 0.09 0.00 0.00 178.44 181.00 2dbf h TYR 21 N 0.86 0.68 -0.05 1.13 0.05 -1.44 -1.33 116.97 116.87 2dbf h TYR 21 Ca 0.26 -0.07 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 2dbf h TYR 21 Cb -0.02 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2dbf h TYR 21 CO -0.00 0.63 -0.46 0.87 -1.05 0.00 0.00 178.16 178.15 2dbf h LYS 22 N 0.63 0.13 0.00 4.88 1.57 -1.37 -1.49 116.57 120.92 2dbf h LYS 22 Ca 0.13 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dbf h LYS 22 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2dbf h LYS 22 CO 0.01 0.57 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.39 2dbf h LEU 23 N 0.11 -0.01 -1.78 2.94 3.38 -1.05 -3.26 115.31 115.63 2dbf h LEU 23 Ca 0.01 -0.75 -0.03 0.00 0.09 0.00 0.00 57.88 57.19 2dbf h LEU 23 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2dbf h LEU 23 CO 0.07 0.75 -0.15 -0.07 0.09 0.00 0.00 178.44 179.12 2dbf h LEU 24 N -0.77 0.00 -2.24 1.67 3.38 -1.28 -2.21 115.31 113.86 2dbf h LEU 24 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2dbf h LEU 24 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2dbf h LEU 24 CO 0.00 0.15 0.21 -0.08 0.09 0.00 0.00 178.44 178.81 2dbf h GLU 25 N 0.00 0.00 -6.31 1.13 4.81 -1.31 -2.08 114.58 110.83 2dbf h GLU 25 Ca -0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 2dbf h GLU 25 Cb 0.32 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2dbf h GLU 25 CO 0.02 0.00 1.24 0.42 -0.73 0.00 0.00 179.01 179.96 2dbf s ILE 26 N -4.59 3.11 -1.01 2.32 1.01 -0.83 -4.85 121.20 116.35 2dbf s ILE 26 Ca -0.05 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 2dbf s ILE 26 Cb 0.15 -3.09 -0.08 0.00 0.01 0.00 0.00 42.46 39.46 2dbf s ILE 26 CO 0.53 -0.02 2.18 -0.81 0.00 0.00 0.00 174.94 176.82 2dbf n PRO 27 N 7.61 2.20 -4.36 2.79 -0.04 -1.26 -3.54 135.00 138.39 2dbf n PRO 27 Ca 0.20 -1.75 -0.24 0.00 -0.04 0.00 0.00 63.50 61.68 2dbf n PRO 27 Cb 0.42 -2.69 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.66 4.16 0.30 3.54 1.11 -1.26 -5.01 116.67 123.17 2dbf s ASP 28 Ca 0.48 -0.83 0.09 0.00 0.18 0.00 0.00 52.55 52.48 2dbf s ASP 28 Cb 0.13 -0.61 0.47 0.00 1.07 0.00 0.00 42.92 43.98 2dbf s ASP 28 CO -0.00 -0.02 1.69 1.55 1.18 0.00 0.00 175.17 179.57 2dbf h PRO 29 N 2.01 0.11 -0.05 8.23 0.13 -1.98 -3.09 132.00 137.36 2dbf h PRO 29 Ca -0.43 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 2dbf h PRO 29 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 2dbf h PRO 29 CO 0.61 0.57 -0.64 -0.25 -0.23 0.00 0.00 178.00 178.06 2dbf n ASP 30 N -3.97 1.73 -1.30 1.44 9.92 -1.26 -4.69 116.55 118.43 2dbf n ASP 30 Ca -0.02 -3.46 -0.04 0.00 -0.53 0.00 0.00 54.79 50.74 2dbf n ASP 30 Cb 0.51 -0.47 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 2dbf n ASP 30 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2dbf n LYS 31 N -0.74 0.16 -4.37 -1.24 5.02 -1.22 -4.10 118.16 111.67 2dbf n LYS 31 Ca 0.17 -1.30 -0.24 0.00 -2.02 0.00 0.00 58.31 54.93 2dbf n LYS 31 Cb 0.81 0.33 -0.09 0.00 -0.02 0.00 0.00 35.03 36.06 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 -1.30 4.09 0.22 4.39 3.04 -1.17 -3.86 114.94 120.35 2dbf s ASN 32 Ca 0.09 -0.89 -0.03 0.00 0.04 0.00 0.00 52.86 52.06 2dbf s ASN 32 Cb 0.13 -0.56 0.20 0.00 -1.54 0.00 0.00 41.25 39.48 2dbf s ASN 32 CO -0.05 -0.06 1.62 4.11 -3.04 0.00 0.00 177.10 179.68 2dbf h TRP 33 N 1.99 0.81 -0.75 0.43 5.08 -1.64 -2.88 115.95 118.99 2dbf h TRP 33 Ca -0.42 -0.20 0.02 0.00 1.08 0.00 0.00 58.89 59.37 2dbf h TRP 33 Cb 1.25 -0.19 -0.04 0.00 -3.00 0.00 0.00 29.16 27.19 2dbf h TRP 33 CO 0.73 0.91 0.50 0.00 -1.28 0.00 0.00 178.44 179.30 2dbf h ALA 34 N 1.08 1.51 -0.22 0.11 0.00 -1.96 -0.40 119.26 119.38 2dbf h ALA 34 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2dbf h ALA 34 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2dbf h ALA 34 CO 0.06 0.43 -0.47 1.15 0.00 0.00 0.00 179.25 180.43 2dbf h THR 35 N 0.97 1.31 -0.06 0.00 2.02 -1.85 -3.04 112.91 112.26 2dbf h THR 35 Ca 0.29 -1.68 -0.14 0.00 0.77 0.00 0.00 66.41 65.65 2dbf h THR 35 Cb -0.04 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2dbf h THR 35 CO -0.07 0.53 -0.58 0.25 0.37 0.00 0.00 175.52 176.02 2dbf h LEU 36 N 0.47 0.22 -1.14 2.58 5.85 -1.16 -2.94 115.31 119.19 2dbf h LEU 36 Ca 0.03 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2dbf h LEU 36 Cb 1.00 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2dbf h LEU 36 CO 0.09 0.75 0.58 0.00 -0.34 0.00 0.00 178.44 179.52 2dbf h ALA 37 N 1.25 1.38 -0.03 1.25 0.00 -0.98 -0.50 119.26 121.62 2dbf h ALA 37 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2dbf h ALA 37 Cb 1.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2dbf h ALA 37 CO 0.09 0.58 -0.74 1.96 0.00 0.00 0.00 179.25 181.14 2dbf h GLN 38 N 1.19 0.22 -0.02 0.00 1.08 -1.52 0.42 115.11 116.48 2dbf h GLN 38 Ca 0.32 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2dbf h GLN 38 Cb -0.14 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2dbf h GLN 38 CO -0.07 0.86 -0.01 0.87 -0.95 0.00 0.00 178.83 179.53 2dbf h LYS 39 N 0.15 0.04 0.12 1.46 6.56 -1.21 -3.36 116.57 120.33 2dbf h LYS 39 Ca -0.02 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2dbf h LYS 39 Cb 1.30 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 2dbf h LYS 39 CO 0.11 0.44 -0.06 -0.07 -2.06 0.00 0.00 179.45 177.82 2dbf h LEU 40 N -0.36 -0.13 0.00 2.94 3.38 -1.17 -3.48 115.31 116.48 2dbf h LEU 40 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dbf h LEU 40 Cb 0.43 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2dbf h LEU 40 CO 0.00 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.07 2dbf n GLY 41 N -0.14 -0.07 1.45 0.83 0.00 -0.81 -5.06 105.19 101.40 2dbf n GLY 41 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.12 0.22 0.99 4.77 0.14 -4.92 117.00 118.08 2dbf n LEU 42 Ca 0.00 -2.17 0.07 0.00 -0.03 0.00 0.00 56.01 53.88 2dbf n LEU 42 Cb 0.00 0.04 0.51 0.00 -2.33 0.00 0.00 43.42 41.64 2dbf n LEU 42 CO 0.00 1.11 0.84 1.23 -1.33 0.00 0.00 177.39 179.24 2dbf h GLY 43 N 0.64 0.00 1.99 -0.72 0.00 -1.78 -2.55 103.07 100.64 2dbf h GLY 43 Ca -0.40 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 2dbf h GLY 43 CO -0.10 0.00 -0.73 1.19 0.00 0.00 0.00 176.54 176.90 2dbf h ILE 44 N 0.00 1.52 -0.66 2.60 2.10 -1.91 -3.07 117.51 118.09 2dbf h ILE 44 Ca -0.00 -2.49 -0.19 0.00 1.08 0.00 0.00 64.86 63.25 2dbf h ILE 44 Cb 0.51 2.35 -0.12 0.00 -1.09 0.00 0.00 36.82 38.47 2dbf h ILE 44 CO 0.03 0.71 0.25 0.18 -1.08 0.00 0.00 178.15 178.24 2dbf n LEU 45 N -3.68 5.61 0.13 2.19 4.77 -0.97 -4.37 117.00 120.68 2dbf n LEU 45 Ca -0.01 -2.92 -0.01 0.00 -0.03 0.00 0.00 56.01 53.04 2dbf n LEU 45 Cb 0.71 -0.72 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 2dbf n LEU 45 CO 0.44 0.75 0.58 0.78 -1.33 0.00 0.00 177.39 178.61 2dbf h ASN 46 N 2.35 0.12 0.42 -1.43 2.35 -1.43 -2.89 115.58 115.08 2dbf h ASN 46 Ca 0.24 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 2dbf h ASN 46 Cb 2.15 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 40.48 2dbf h ASN 46 CO 0.66 0.61 -0.52 0.78 -1.65 0.00 0.00 177.43 177.31 2dbf h ASN 47 N 0.09 0.12 -0.39 5.81 4.21 -1.84 -1.75 115.58 121.82 2dbf h ASN 47 Ca 0.00 -0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.32 2dbf h ASN 47 Cb 0.93 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.09 2dbf h ASN 47 CO 0.07 0.62 -0.27 0.00 -1.29 0.00 0.00 177.43 176.57 2dbf h ALA 48 N 1.38 0.56 -0.02 -0.83 0.00 -1.83 -3.03 119.26 115.50 2dbf h ALA 48 Ca -0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 2dbf h ALA 48 Cb 0.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2dbf h ALA 48 CO 0.07 0.57 -0.73 0.74 0.00 0.00 0.00 179.25 179.91 2dbf h PHE 49 N 0.68 0.20 -0.43 0.00 0.04 -1.45 -3.13 116.94 112.85 2dbf h PHE 49 Ca 0.08 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2dbf h PHE 49 Cb 0.84 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 2dbf h PHE 49 CO 0.06 0.83 0.27 -0.09 -0.60 0.00 0.00 178.31 178.78 2dbf h ARG 50 N 0.10 0.57 -0.55 1.51 1.12 -1.24 -2.12 114.38 113.77 2dbf h ARG 50 Ca -0.02 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.70 2dbf h ARG 50 Cb 1.29 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 31.11 2dbf h ARG 50 CO 0.11 0.39 -0.11 -0.07 -3.11 0.00 0.00 179.97 177.18 2dbf h LEU 51 N 0.59 1.05-10.26 3.80 3.38 -1.47 -3.45 115.31 108.95 2dbf h LEU 51 Ca 0.16 -0.35 -0.51 0.00 0.09 0.00 0.00 57.88 57.27 2dbf h LEU 51 Cb -0.05 -0.29 0.20 0.00 0.09 0.00 0.00 40.66 40.62 2dbf h LEU 51 CO -0.03 1.15 0.20 -0.44 0.09 0.00 0.00 178.44 179.41 2dbf s SER 52 N -6.65 2.65 0.45 -0.43 0.01 -0.80 -4.91 113.70 104.02 2dbf s SER 52 Ca -0.12 2.14 0.20 0.00 1.31 0.00 0.00 55.95 59.48 2dbf s SER 52 Cb 0.13 -2.55 1.07 0.00 0.21 0.00 0.00 66.02 64.88 2dbf s SER 52 CO 0.87 -3.27 1.95 1.55 0.41 0.00 0.00 173.24 174.75 2dbf h PRO 53 N -1.98 0.00 -2.53 12.44 0.13 -1.86 -3.36 132.00 134.83 2dbf h PRO 53 Ca -0.45 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 2dbf h PRO 53 Cb 1.28 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.02 2dbf h PRO 53 CO 0.42 0.23 -0.89 0.00 -0.23 0.00 0.00 178.00 177.53 2dbf s ALA 54 N -4.21 1.22 0.24 -0.56 0.00 -1.26 -5.00 121.76 112.18 2dbf s ALA 54 Ca -0.03 -2.16 -0.05 0.00 0.00 0.00 0.00 51.96 49.73 2dbf s ALA 54 Cb 0.14 -1.62 0.45 0.00 0.00 0.00 0.00 23.12 22.08 2dbf s ALA 54 CO 0.66 -2.05 1.72 -1.35 0.00 0.00 0.00 175.76 174.73 2dbf h PRO 55 N 6.45 0.38 -0.12 0.00 0.11 -1.72 0.14 132.00 137.23 2dbf h PRO 55 Ca 0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2dbf h PRO 55 Cb 0.94 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2dbf h PRO 55 CO 0.32 0.25 0.03 0.66 -0.21 0.00 0.00 178.00 179.05 2dbf h SER 56 N 0.39 0.15 0.77 -2.05 4.64 -1.92 0.16 113.55 115.68 2dbf h SER 56 Ca 0.41 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2dbf h SER 56 Cb 0.64 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2dbf h SER 56 CO -0.43 0.16 -0.93 0.50 -0.87 0.00 0.00 176.83 175.26 2dbf h LYS 57 N 0.17 0.09 0.01 4.77 3.64 -1.16 -3.18 116.57 120.92 2dbf h LYS 57 Ca 0.04 -0.12 -0.20 0.00 -1.27 0.00 0.00 60.65 59.10 2dbf h LYS 57 Cb 0.08 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2dbf h LYS 57 CO -0.00 0.95 -0.92 1.15 -2.27 0.00 0.00 179.45 178.37 2dbf h THR 58 N 0.04 1.58 0.38 1.00 2.02 -0.26 -3.11 112.91 114.56 2dbf h THR 58 Ca -0.03 -2.90 -0.02 0.00 0.77 0.00 0.00 66.41 64.22 2dbf h THR 58 Cb 1.61 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 2dbf h THR 58 CO 0.13 0.84 -0.18 0.25 0.37 0.00 0.00 175.52 176.93 2dbf h LEU 59 N 0.04 -0.43 -2.03 2.58 5.85 -1.03 -1.35 115.31 118.93 2dbf h LEU 59 Ca -0.03 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dbf h LEU 59 Cb 1.58 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 2dbf h LEU 59 CO 0.13 -0.21 0.03 0.24 -0.34 0.00 0.00 178.44 178.28 2dbf h MET 60 N -0.64 0.00 -0.09 1.25 2.86 -1.65 0.58 114.93 117.23 2dbf h MET 60 Ca -0.05 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 2dbf h MET 60 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2dbf h MET 60 CO 0.09 0.00 -0.64 -0.44 1.06 0.00 0.00 176.91 176.97 2dbf h ASP 61 N 0.00 0.40 0.58 1.22 3.32 -1.41 -1.48 116.42 119.04 2dbf h ASP 61 Ca 0.02 -0.24 -0.28 0.00 0.02 0.00 0.00 57.03 56.55 2dbf h ASP 61 Cb 0.07 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2dbf h ASP 61 CO -0.00 0.94 -1.54 0.78 -1.72 0.00 0.00 179.24 177.70 2dbf h ASN 62 N 0.25 0.08 -0.21 6.45 2.35 -0.07 -3.28 115.58 121.15 2dbf h ASN 62 Ca -0.01 -0.13 -0.19 0.00 -0.55 0.00 0.00 56.30 55.42 2dbf h ASN 62 Cb 1.18 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2dbf h ASN 62 CO 0.11 1.11 -0.59 0.22 -1.65 0.00 0.00 177.43 176.63 2dbf h TYR 63 N 0.01 1.03 -0.63 1.19 3.20 0.09 -0.47 116.97 121.39 2dbf h TYR 63 Ca -0.23 -0.39 -0.05 0.00 3.14 0.00 0.00 58.73 61.21 2dbf h TYR 63 Cb 1.96 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 40.01 2dbf h TYR 63 CO 0.01 1.20 0.21 1.49 -1.64 0.00 0.00 178.16 179.43 2dbf h GLU 64 N 0.61 0.96 0.01 1.82 4.81 -1.41 0.88 114.58 122.26 2dbf h GLU 64 Ca 0.00 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 2dbf h GLU 64 Cb 1.20 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2dbf h GLU 64 CO 0.13 0.82 -0.20 0.28 -0.73 0.00 0.00 179.01 179.30 2dbf h VAL 65 N 0.93 1.62 -0.08 0.32 2.07 -1.60 -3.28 116.25 116.22 2dbf h VAL 65 Ca 0.21 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2dbf h VAL 65 Cb 0.25 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2dbf h VAL 65 CO -0.01 0.56 0.06 0.28 0.02 0.00 0.00 177.57 178.47 2dbf h SER 66 N -0.66 0.10 0.00 0.57 0.02 -1.03 -3.45 113.55 109.10 2dbf h SER 66 Ca -0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2dbf h SER 66 Cb 1.02 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2dbf h SER 66 CO 0.04 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 2dbf n GLY 67 N -1.53 0.02 3.69 -3.77 0.00 -0.03 -4.97 105.19 98.60 2dbf n GLY 67 Ca -0.02 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 2.32 -0.10 -0.02 0.00 0.29 -4.72 107.32 105.08 2dbf s GLY 68 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.16 2dbf s GLY 68 CO 0.00 1.97 -0.14 -0.51 0.00 0.00 0.00 173.10 174.42 2dbf s THR 69 N 2.03 2.98 0.49 0.90 -4.23 -1.26 -1.53 115.64 115.02 2dbf s THR 69 Ca 0.50 -0.71 0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2dbf s THR 69 Cb -0.20 -2.22 0.28 0.00 1.34 0.00 0.00 72.50 71.71 2dbf s THR 69 CO 0.19 0.55 2.10 0.58 -0.54 0.00 0.00 174.62 177.50 2dbf h VAL 70 N 5.07 0.99 -0.20 2.29 2.07 -1.97 -0.82 116.25 123.68 2dbf h VAL 70 Ca -0.32 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 2dbf h VAL 70 Cb 1.19 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2dbf h VAL 70 CO 0.53 0.03 -0.23 0.03 0.02 0.00 0.00 177.57 177.96 2dbf h ARG 71 N 0.16 0.37 0.04 1.57 3.08 -1.95 -1.98 114.38 115.68 2dbf h ARG 71 Ca 0.08 -0.12 -0.25 0.00 0.07 0.00 0.00 59.98 59.76 2dbf h ARG 71 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2dbf h ARG 71 CO -0.01 0.58 -1.20 0.93 -1.07 0.00 0.00 179.97 179.20 2dbf h GLU 72 N 0.33 0.09 -0.45 0.04 4.39 -1.62 -3.06 114.58 114.29 2dbf h GLU 72 Ca 0.05 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2dbf h GLU 72 Cb 0.59 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2dbf h GLU 72 CO 0.04 1.00 -0.04 1.25 -1.16 0.00 0.00 179.01 180.10 2dbf h LEU 73 N 0.02 0.82 -0.84 1.33 5.85 -1.00 0.17 115.31 121.67 2dbf h LEU 73 Ca -0.10 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.18 2dbf h LEU 73 Cb 1.87 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 2dbf h LEU 73 CO 0.14 0.96 -0.43 0.58 -0.34 0.00 0.00 178.44 179.35 2dbf h VAL 74 N 0.67 1.32 0.01 1.05 2.07 -1.46 -2.50 116.25 117.40 2dbf h VAL 74 Ca 0.12 -1.58 -0.13 0.00 0.82 0.00 0.00 66.70 65.93 2dbf h VAL 74 Cb 0.56 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2dbf h VAL 74 CO 0.03 0.48 -0.53 -0.33 0.02 0.00 0.00 177.57 177.24 2dbf h GLU 75 N 0.26 0.33 -0.15 1.57 5.08 -1.41 -3.01 114.58 117.26 2dbf h GLU 75 Ca 0.02 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2dbf h GLU 75 Cb 0.87 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2dbf h GLU 75 CO 0.07 1.07 0.10 0.00 -1.00 0.00 0.00 179.01 179.26 2dbf h ALA 76 N 0.27 1.97 -0.12 3.43 0.00 -0.65 0.21 119.26 124.38 2dbf h ALA 76 Ca -0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2dbf h ALA 76 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dbf h ALA 76 CO 0.10 0.01 -0.71 -0.07 0.00 0.00 0.00 179.25 178.59 2dbf h LEU 77 N 0.14 0.64 -0.20 0.00 3.38 -1.48 -3.07 115.31 114.72 2dbf h LEU 77 Ca 0.06 -0.40 -0.22 0.00 0.09 0.00 0.00 57.88 57.41 2dbf h LEU 77 Cb 0.07 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.64 2dbf h LEU 77 CO -0.01 1.15 -0.88 0.03 0.09 0.00 0.00 178.44 178.82 2dbf h ARG 78 N 0.38 0.52 -0.14 1.13 3.08 -1.16 0.28 114.38 118.46 2dbf h ARG 78 Ca -0.03 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2dbf h ARG 78 Cb 1.29 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 2dbf h ARG 78 CO 0.13 1.14 0.09 1.96 -1.07 0.00 0.00 179.97 182.22 2dbf h GLN 79 N 0.32 0.19 0.00 0.04 4.20 -1.00 -3.16 115.11 115.69 2dbf h GLN 79 Ca -0.07 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 2dbf h GLN 79 Cb 1.51 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.23 2dbf h GLN 79 CO 0.16 0.13 -0.83 0.52 -0.67 0.00 0.00 178.83 178.14 2dbf h MET 80 N 0.19 0.00 0.00 1.46 2.86 -1.50 -3.50 114.93 114.45 2dbf h MET 80 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2dbf h MET 80 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2dbf h MET 80 CO -0.01 0.56 0.00 0.41 1.06 0.00 0.00 176.91 178.92 2dbf n GLY 81 N 1.53 0.19 3.64 8.32 0.00 -0.35 -4.81 105.19 113.71 2dbf n GLY 81 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2dbf n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dbf s TYR 82 N -0.21 3.27 -0.11 1.61 2.02 0.83 -4.94 117.35 119.83 2dbf s TYR 82 Ca 0.00 0.09 0.08 0.00 -0.37 0.00 0.00 57.07 56.87 2dbf s TYR 82 Cb 0.00 -2.14 -0.12 0.00 -0.40 0.00 0.00 41.96 39.30 2dbf s TYR 82 CO 0.00 0.11 0.01 2.41 -1.57 0.00 0.00 175.55 176.51 2dbf n THR 83 N 3.80 0.72 0.06 -0.71 -1.04 -1.26 -4.40 114.28 111.45 2dbf n THR 83 Ca -0.16 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.05 61.23 2dbf n THR 83 Cb 0.52 -0.76 -0.14 0.00 -1.82 0.00 0.00 70.33 68.13 2dbf n THR 83 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2dbf h GLU 84 N 0.00 0.42 -0.67 -2.82 5.08 -2.00 -3.05 114.58 111.55 2dbf h GLU 84 Ca -0.28 -0.62 0.03 0.00 -1.00 0.00 0.00 59.36 57.49 2dbf h GLU 84 Cb 1.61 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 31.04 2dbf h GLU 84 CO 0.01 1.27 0.44 0.00 -1.00 0.00 0.00 179.01 179.73 2dbf h ALA 85 N 0.18 1.63 -0.00 3.43 0.00 -1.97 -1.08 119.26 121.44 2dbf h ALA 85 Ca -0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2dbf h ALA 85 Cb 1.71 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2dbf h ALA 85 CO 0.18 0.30 -0.64 0.82 0.00 0.00 0.00 179.25 179.91 2dbf h ILE 86 N 0.80 1.46 -0.19 0.00 2.04 -1.77 -3.13 117.51 116.73 2dbf h ILE 86 Ca 0.27 -2.18 -0.15 0.00 1.00 0.00 0.00 64.86 63.79 2dbf h ILE 86 Cb 0.07 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2dbf h ILE 86 CO -0.07 0.63 -0.48 -0.33 0.00 0.00 0.00 178.15 177.89 2dbf h GLU 87 N 0.01 0.65 -0.08 2.37 4.39 -1.13 -1.45 114.58 119.36 2dbf h GLU 87 Ca -0.01 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.24 2dbf h GLU 87 Cb 1.13 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2dbf h GLU 87 CO 0.08 1.08 0.05 0.28 -1.16 0.00 0.00 179.01 179.34 2dbf h VAL 88 N 0.34 1.00 0.13 3.13 2.07 -1.27 0.66 116.25 122.31 2dbf h VAL 88 Ca -0.01 -0.03 -0.31 0.00 0.82 0.00 0.00 66.70 67.17 2dbf h VAL 88 Cb 1.10 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2dbf h VAL 88 CO 0.10 0.01 -1.57 0.40 0.02 0.00 0.00 177.57 176.54 2dbf h ILE 89 N 0.08 1.11 -0.03 4.57 2.04 -1.49 -3.23 117.51 120.56 2dbf h ILE 89 Ca 0.03 -2.74 -0.26 0.00 1.00 0.00 0.00 64.86 62.89 2dbf h ILE 89 Cb 0.03 2.75 0.02 0.00 -0.74 0.00 0.00 36.82 38.88 2dbf h ILE 89 CO -0.01 0.82 -1.00 1.56 0.00 0.00 0.00 178.15 179.52 2dbf h GLN 90 N 0.07 0.72 -0.06 2.37 4.20 -0.68 -1.46 115.11 120.28 2dbf h GLN 90 Ca -0.26 -0.74 -0.02 0.00 0.06 0.00 0.00 58.65 57.69 2dbf h GLN 90 Cb 2.03 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 30.00 2dbf h GLN 90 CO 0.16 1.31 -0.08 0.00 -0.67 0.00 0.00 178.83 179.56 2dbf h ALA 91 N 0.44 1.76 0.00 3.87 0.00 0.16 -0.88 119.26 124.60 2dbf h ALA 91 Ca -0.12 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 2dbf h ALA 91 Cb 1.65 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 2dbf h ALA 91 CO 0.20 0.18 -1.54 0.00 0.00 0.00 0.00 179.25 178.09 2dbf h ALA 92 N 1.84 0.68 -0.03 0.00 0.00 -1.57 -1.39 119.26 118.79 2dbf h ALA 92 Ca 0.02 -1.34 -0.14 0.00 0.00 0.00 0.00 54.91 53.46 2dbf h ALA 92 Cb 0.20 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2dbf h ALA 92 CO 0.01 1.51 -0.61 1.03 0.00 0.00 0.00 179.25 181.19 2dbf h SER 93 N 0.00 0.12 0.00 0.00 0.87 -0.79 -3.40 113.55 110.35 2dbf h SER 93 Ca -0.22 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2dbf h SER 93 Cb 1.95 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 2dbf h SER 93 CO 0.09 0.69 -0.05 -1.20 -0.53 0.00 0.00 176.83 175.83 2dbf n SER 94 N -3.84 0.13 0.03 6.23 7.64 -0.38 -5.08 113.62 118.36 2dbf n SER 94 Ca -0.02 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dbf n SER 94 Cb 0.61 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2dbf n SER 94 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dbf n SER 95 N -2.63 -0.58 0.00 6.43 3.41 -0.54 -5.07 113.62 114.64 2dbf n SER 95 Ca -0.01 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2dbf n SER 95 Cb 0.03 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 2dbf n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbf n GLY 96 N -1.18 1.20 3.75 5.00 0.00 -1.11 -4.53 105.19 108.33 2dbf n GLY 96 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 2dbf n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbf s PRO 97 N 0.00 0.91 0.32 1.61 0.04 -1.26 -5.01 135.00 131.61 2dbf s PRO 97 Ca 0.00 0.35 -0.28 0.00 0.04 0.00 0.00 61.00 61.11 2dbf s PRO 97 Cb 0.00 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2dbf s PRO 97 CO 0.00 -2.37 1.15 -1.12 0.04 0.00 0.00 177.00 174.70 2dbf s SER 98 N -3.86 6.99 -0.01 6.66 0.01 -1.26 -4.99 113.70 117.23 2dbf s SER 98 Ca 0.64 2.34 -0.30 0.00 1.31 0.00 0.00 55.95 59.95 2dbf s SER 98 Cb -0.16 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.41 2dbf s SER 98 CO 0.55 -0.35 1.03 -0.44 0.41 0.00 0.00 173.24 174.44 2dbf s SER 99 N -0.91 7.29 0.00 2.44 0.01 -1.26 -5.26 113.70 116.00 2dbf s SER 99 Ca 0.49 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.46 2dbf s SER 99 Cb -0.32 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.34 2dbf s SER 99 CO 0.42 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.34