#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbf s SER 2 N 0.00 6.55 0.57 1.61 1.04 -1.26 -4.99 113.70 117.21 2dbf s SER 2 Ca 0.00 -1.61 -0.17 0.00 0.48 0.00 0.00 55.95 54.64 2dbf s SER 2 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2dbf s SER 2 CO 0.00 -1.42 1.07 -0.94 0.98 0.00 0.00 173.24 172.93 2dbf s SER 3 N 4.73 5.81 0.00 7.02 1.04 -1.26 -4.56 113.70 126.49 2dbf s SER 3 Ca 0.45 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2dbf s SER 3 Cb -0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2dbf s SER 3 CO -0.09 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2dbf n GLY 4 N -0.50 1.20 1.21 7.32 0.00 -1.26 -4.96 105.19 108.19 2dbf n GLY 4 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2dbf n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbf n SER 5 N 0.00 1.75 -2.01 1.61 3.41 -1.26 -4.74 113.62 112.38 2dbf n SER 5 Ca 0.00 -3.09 -0.03 0.00 -0.26 0.00 0.00 58.87 55.49 2dbf n SER 5 Cb 0.00 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.57 2dbf n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dbf n SER 6 N -0.47 -0.82 0.00 4.04 7.64 -1.26 -5.15 113.62 117.60 2dbf n SER 6 Ca 0.16 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.93 2dbf n SER 6 Cb 0.89 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 2dbf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbf n GLY 7 N -0.76 -0.26 1.15 0.23 0.00 -1.26 -4.58 105.19 99.71 2dbf n GLY 7 Ca -0.17 -2.28 -0.03 0.00 0.00 0.00 0.00 46.02 43.54 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 0.00 -0.21 -0.02 1.61 8.00 -0.72 -4.23 116.55 120.98 2dbf n ASP 8 Ca 0.00 -1.96 -0.08 0.00 0.71 0.00 0.00 54.79 53.46 2dbf n ASP 8 Cb 0.00 0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.18 0.63 0.22 -1.24 2.81 -1.17 -4.00 117.12 114.55 2dbf n MET 9 Ca -0.14 0.29 0.06 0.00 -1.81 0.00 0.00 57.70 56.10 2dbf n MET 9 Cb 0.86 -1.79 0.53 0.00 -0.71 0.00 0.00 33.22 32.11 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 0.03 0.00 0.03 1.79 -1.90 -1.76 116.57 114.76 2dbf h LYS 10 Ca -0.29 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.12 2dbf h LYS 10 Cb 2.01 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.65 2dbf h LYS 10 CO 0.08 0.14 -0.30 -0.56 -1.08 0.00 0.00 179.45 177.73 2dbf h GLN 11 N 0.03 0.00 -7.24 3.15 3.07 -1.96 -3.44 115.11 108.73 2dbf h GLN 11 Ca 0.01 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.27 2dbf h GLN 11 Cb 0.22 0.00 0.19 0.00 0.08 0.00 0.00 27.48 27.97 2dbf h GLN 11 CO 0.01 0.30 0.14 -0.51 0.09 0.00 0.00 178.83 178.86 2dbf s LEU 12 N -8.34 1.86 0.11 0.06 1.43 -0.66 -5.03 118.68 108.10 2dbf s LEU 12 Ca -0.03 1.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2dbf s LEU 12 Cb 0.15 -3.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2dbf s LEU 12 CO 0.71 -3.45 0.11 0.00 0.23 0.00 0.00 176.35 173.95 2dbf s ALA 13 N -2.64 3.60 0.44 4.21 0.00 -1.26 -5.01 121.76 121.10 2dbf s ALA 13 Ca 0.67 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 51.66 2dbf s ALA 13 Cb -0.22 -1.44 0.99 0.00 0.00 0.00 0.00 23.12 22.44 2dbf s ALA 13 CO 0.60 0.67 2.09 1.49 0.00 0.00 0.00 175.76 180.61 2dbf h GLU 14 N 2.98 0.38 -0.51 0.00 4.81 -1.96 -1.65 114.58 118.62 2dbf h GLU 14 Ca -0.47 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 2dbf h GLU 14 Cb 1.17 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2dbf h GLU 14 CO 0.66 0.25 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.73 2dbf h ASP 15 N 0.39 0.83 -0.03 1.04 3.32 -1.98 0.13 116.42 120.12 2dbf h ASP 15 Ca 0.11 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2dbf h ASP 15 Cb -0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 2dbf h ASP 15 CO -0.02 0.91 -0.02 0.58 -1.72 0.00 0.00 179.24 178.96 2dbf h VAL 16 N 0.80 1.35 -0.05 -1.35 2.07 -1.67 -2.79 116.25 114.61 2dbf h VAL 16 Ca 0.15 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 2dbf h VAL 16 Cb 0.50 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2dbf h VAL 16 CO 0.02 0.29 -0.34 0.11 0.02 0.00 0.00 177.57 177.67 2dbf h LYS 17 N -0.37 0.10 0.22 1.57 1.57 -1.37 -2.93 116.57 115.36 2dbf h LYS 17 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2dbf h LYS 17 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2dbf h LYS 17 CO 0.00 0.44 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.14 2dbf h LEU 18 N 0.09 -0.25 -1.89 2.94 3.38 -0.69 -2.56 115.31 116.33 2dbf h LEU 18 Ca 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dbf h LEU 18 Cb 0.65 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2dbf h LEU 18 CO 0.05 -0.12 0.06 1.56 0.09 0.00 0.00 178.44 180.08 2dbf h GLN 19 N -0.36 0.13 -0.09 1.13 4.20 -1.43 -1.27 115.11 117.43 2dbf h GLN 19 Ca -0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2dbf h GLN 19 Cb 0.28 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2dbf h GLN 19 CO 0.05 0.09 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.18 2dbf h LEU 20 N 0.14 0.11 -0.28 1.46 3.38 -1.28 -2.47 115.31 116.38 2dbf h LEU 20 Ca 0.04 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2dbf h LEU 20 Cb -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2dbf h LEU 20 CO -0.01 0.19 -0.28 1.88 0.09 0.00 0.00 178.44 180.31 2dbf h TYR 21 N 0.12 0.82 -0.05 1.13 0.05 -1.05 -2.24 116.97 115.75 2dbf h TYR 21 Ca 0.03 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.52 2dbf h TYR 21 Cb 0.18 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2dbf h TYR 21 CO 0.00 0.98 -0.15 0.87 -1.05 0.00 0.00 178.16 178.82 2dbf h LYS 22 N 0.41 0.08 0.15 4.88 1.57 -1.44 -1.95 116.57 120.27 2dbf h LYS 22 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2dbf h LYS 22 Cb 0.85 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2dbf h LYS 22 CO 0.07 0.23 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.04 2dbf h LEU 23 N 0.07 -0.17 -2.47 2.94 3.38 -1.34 -3.21 115.31 114.52 2dbf h LEU 23 Ca 0.01 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.63 2dbf h LEU 23 Cb 0.31 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dbf h LEU 23 CO 0.02 0.41 0.10 -0.07 0.09 0.00 0.00 178.44 178.99 2dbf h LEU 24 N -0.87 0.00 -2.04 1.67 3.38 -1.32 -1.36 115.31 114.77 2dbf h LEU 24 Ca -0.02 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.06 2dbf h LEU 24 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2dbf h LEU 24 CO 0.03 0.00 0.29 -0.08 0.09 0.00 0.00 178.44 178.77 2dbf h GLU 25 N 0.00 0.00 -6.22 1.13 4.22 -1.35 -2.47 114.58 109.89 2dbf h GLU 25 Ca 0.03 0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.92 2dbf h GLU 25 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2dbf h GLU 25 CO -0.00 0.00 1.32 0.42 -2.18 0.00 0.00 179.01 178.57 2dbf s ILE 26 N -4.93 3.03 -1.06 2.32 1.01 -0.51 -4.85 121.20 116.21 2dbf s ILE 26 Ca -0.05 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 2dbf s ILE 26 Cb 0.18 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.55 2dbf s ILE 26 CO 0.68 -0.01 2.25 -0.81 0.00 0.00 0.00 174.94 177.04 2dbf n PRO 27 N 7.98 2.34 -4.24 2.79 -0.04 -1.26 -3.48 135.00 139.09 2dbf n PRO 27 Ca 0.23 -1.71 -0.25 0.00 -0.04 0.00 0.00 63.50 61.73 2dbf n PRO 27 Cb 0.43 -2.63 -0.08 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.40 4.67 0.48 3.54 1.01 -1.26 -4.99 116.67 123.52 2dbf s ASP 28 Ca 0.48 -0.49 0.24 0.00 0.71 0.00 0.00 52.55 53.49 2dbf s ASP 28 Cb 0.12 -0.95 1.21 0.00 1.01 0.00 0.00 42.92 44.32 2dbf s ASP 28 CO -0.02 0.06 1.98 1.55 0.21 0.00 0.00 175.17 178.94 2dbf h PRO 29 N 2.40 0.00 0.00 8.23 0.13 -1.99 -2.81 132.00 137.97 2dbf h PRO 29 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2dbf h PRO 29 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2dbf h PRO 29 CO 0.58 0.18 -0.63 -0.25 -0.23 0.00 0.00 178.00 177.66 2dbf n ASP 30 N -3.66 1.47 -1.34 1.44 9.92 -1.26 -4.72 116.55 118.40 2dbf n ASP 30 Ca -0.01 -3.18 -0.05 0.00 -0.53 0.00 0.00 54.79 51.02 2dbf n ASP 30 Cb 0.31 -0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 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 -0.60 0.23 -4.25 -1.24 5.02 -1.15 -3.94 118.16 112.24 2dbf n LYS 31 Ca 0.14 -1.21 -0.24 0.00 -2.02 0.00 0.00 58.31 54.99 2dbf n LYS 31 Cb 0.83 0.38 -0.07 0.00 -0.02 0.00 0.00 35.03 36.15 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 -1.20 4.73 0.15 4.39 3.84 -1.07 -3.93 114.94 121.85 2dbf s ASN 32 Ca 0.06 -0.52 -0.12 0.00 0.21 0.00 0.00 52.86 52.49 2dbf s ASN 32 Cb 0.12 -0.96 0.01 0.00 -0.55 0.00 0.00 41.25 39.87 2dbf s ASN 32 CO -0.04 0.02 1.59 4.11 -2.79 0.00 0.00 177.10 179.99 2dbf h TRP 33 N 2.07 0.98 -0.80 0.43 5.08 -1.71 -2.91 115.95 119.10 2dbf h TRP 33 Ca -0.46 -0.18 0.02 0.00 1.08 0.00 0.00 58.89 59.36 2dbf h TRP 33 Cb 1.23 -0.25 -0.04 0.00 -3.00 0.00 0.00 29.16 27.10 2dbf h TRP 33 CO 0.65 0.93 0.53 0.00 -1.28 0.00 0.00 178.44 179.27 2dbf h ALA 34 N 0.92 1.48 -0.64 0.11 0.00 -1.93 -2.16 119.26 117.03 2dbf h ALA 34 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2dbf h ALA 34 Cb 0.56 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2dbf h ALA 34 CO 0.03 0.45 0.30 1.15 0.00 0.00 0.00 179.25 181.18 2dbf h THR 35 N 1.02 1.22 -0.13 0.00 2.02 -1.87 -2.32 112.91 112.85 2dbf h THR 35 Ca 0.31 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 2dbf h THR 35 Cb -0.02 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2dbf h THR 35 CO -0.08 0.26 -0.05 0.25 0.37 0.00 0.00 175.52 176.27 2dbf h LEU 36 N 0.89 0.17 -0.68 2.58 5.85 -1.26 -2.48 115.31 120.38 2dbf h LEU 36 Ca 0.22 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2dbf h LEU 36 Cb 0.13 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2dbf h LEU 36 CO -0.03 0.25 0.40 0.00 -0.34 0.00 0.00 178.44 178.72 2dbf h ALA 37 N 1.78 0.86 -0.16 1.25 0.00 -1.05 0.19 119.26 122.13 2dbf h ALA 37 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2dbf h ALA 37 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2dbf h ALA 37 CO 0.01 0.35 -0.35 1.96 0.00 0.00 0.00 179.25 181.22 2dbf h GLN 38 N 0.92 0.32 -0.05 0.00 4.20 -1.38 0.29 115.11 119.41 2dbf h GLN 38 Ca 0.24 -0.14 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 2dbf h GLN 38 Cb -0.01 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.77 2dbf h GLN 38 CO -0.04 0.63 -0.78 0.87 -0.67 0.00 0.00 178.83 178.83 2dbf h LYS 39 N 0.28 0.63 -0.04 1.46 6.56 -1.17 -3.33 116.57 120.95 2dbf h LYS 39 Ca 0.03 -0.60 -0.04 0.00 -1.06 0.00 0.00 60.65 58.98 2dbf h LYS 39 Cb 0.74 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2dbf h LYS 39 CO 0.06 1.21 -0.15 -0.07 -2.06 0.00 0.00 179.45 178.44 2dbf h LEU 40 N 0.26 0.20 0.00 2.94 3.38 -0.56 -3.47 115.31 118.06 2dbf h LEU 40 Ca -0.08 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2dbf h LEU 40 Cb 1.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2dbf h LEU 40 CO 0.16 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2dbf n GLY 41 N 0.65 0.67 2.39 0.83 0.00 0.67 -5.03 105.19 105.38 2dbf n GLY 41 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 6.79 0.09 0.99 4.77 0.66 -4.49 117.00 125.81 2dbf n LEU 42 Ca 0.00 -4.13 -0.16 0.00 -0.03 0.00 0.00 56.01 51.70 2dbf n LEU 42 Cb 0.00 -1.32 -0.14 0.00 -2.33 0.00 0.00 43.42 39.63 2dbf n LEU 42 CO 0.00 1.83 -0.10 1.23 -1.33 0.00 0.00 177.39 179.02 2dbf h GLY 43 N 4.72 0.29 2.00 -0.72 0.00 -1.80 -3.27 103.07 104.29 2dbf h GLY 43 Ca 0.47 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2dbf h GLY 43 CO 0.97 0.65 -0.07 1.19 0.00 0.00 0.00 176.54 179.27 2dbf h ILE 44 N 0.07 0.18 -0.83 2.60 2.10 -1.91 -2.92 117.51 116.80 2dbf h ILE 44 Ca -0.15 -0.76 -0.44 0.00 1.08 0.00 0.00 64.86 64.59 2dbf h ILE 44 Cb 1.97 1.65 -0.26 0.00 -1.09 0.00 0.00 36.82 39.09 2dbf h ILE 44 CO 0.19 0.07 0.55 0.18 -1.08 0.00 0.00 178.15 178.07 2dbf n LEU 45 N -3.18 6.15 0.12 2.19 4.77 -1.23 -4.41 117.00 121.41 2dbf n LEU 45 Ca 0.01 -3.28 -0.02 0.00 -0.03 0.00 0.00 56.01 52.69 2dbf n LEU 45 Cb 0.37 -0.79 0.19 0.00 -2.33 0.00 0.00 43.42 40.86 2dbf n LEU 45 CO 0.30 0.97 0.56 -1.13 -1.33 0.00 0.00 177.39 176.76 2dbf h ASN 46 N 0.86 0.15 0.35 -1.43 -0.73 -1.65 -2.93 115.58 110.21 2dbf h ASN 46 Ca 0.53 -0.07 -0.12 0.00 1.87 0.00 0.00 56.30 58.51 2dbf h ASN 46 Cb 2.51 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 41.04 2dbf h ASN 46 CO 0.94 0.65 -0.51 -0.55 -0.37 0.00 0.00 177.43 177.59 2dbf h ASN 47 N 0.10 0.19 -0.23 1.15 7.08 -1.86 -1.92 115.58 120.08 2dbf h ASN 47 Ca 0.00 -0.09 -0.05 0.00 -3.08 0.00 0.00 56.30 53.07 2dbf h ASN 47 Cb 0.97 -0.05 -0.01 0.00 -2.08 0.00 0.00 38.32 37.15 2dbf h ASN 47 CO 0.08 0.67 -0.06 0.00 -2.08 0.00 0.00 177.43 176.04 2dbf h ALA 48 N 1.34 0.32 -0.43 4.14 0.00 -1.84 -2.19 119.26 120.60 2dbf h ALA 48 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2dbf h ALA 48 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2dbf h ALA 48 CO 0.08 0.12 -0.26 0.74 0.00 0.00 0.00 179.25 179.92 2dbf h PHE 49 N 0.19 1.04 -0.82 0.00 0.04 -1.50 -2.14 116.94 113.76 2dbf h PHE 49 Ca 0.06 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 2dbf h PHE 49 Cb 0.52 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 2dbf h PHE 49 CO 0.05 1.06 0.47 -0.09 -0.60 0.00 0.00 178.31 179.20 2dbf h ARG 50 N 0.77 1.13 -0.28 1.51 2.43 -1.31 -2.62 114.38 116.02 2dbf h ARG 50 Ca 0.09 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 2dbf h ARG 50 Cb 0.82 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2dbf h ARG 50 CO 0.07 0.81 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.71 2dbf h LEU 51 N 1.14 0.97-10.09 3.80 3.38 -1.26 -3.45 115.31 109.80 2dbf h LEU 51 Ca 0.29 -0.53 -0.55 0.00 0.09 0.00 0.00 57.88 57.19 2dbf h LEU 51 Cb -0.01 -0.28 0.15 0.00 0.09 0.00 0.00 40.66 40.61 2dbf h LEU 51 CO -0.05 1.32 0.55 -0.44 0.09 0.00 0.00 178.44 179.91 2dbf s SER 52 N -6.96 4.88 0.27 -0.43 0.01 -0.82 -4.90 113.70 105.75 2dbf s SER 52 Ca -0.11 2.66 -0.00 0.00 1.31 0.00 0.00 55.95 59.81 2dbf s SER 52 Cb 0.10 -2.62 0.54 0.00 0.21 0.00 0.00 66.02 64.25 2dbf s SER 52 CO 0.89 -1.82 1.78 -0.65 0.41 0.00 0.00 173.24 173.85 2dbf h PRO 53 N 0.89 0.68 -3.19 12.44 0.11 -1.87 -3.31 132.00 137.75 2dbf h PRO 53 Ca -0.51 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 64.93 2dbf h PRO 53 Cb 1.32 -0.15 -0.41 0.00 0.11 0.00 0.00 31.00 31.87 2dbf h PRO 53 CO 0.55 0.45 -0.67 0.00 -0.21 0.00 0.00 178.00 178.12 2dbf s ALA 54 N -5.96 2.94 0.33 -0.75 0.00 -1.26 -4.97 121.76 112.09 2dbf s ALA 54 Ca -0.12 -3.10 0.08 0.00 0.00 0.00 0.00 51.96 48.83 2dbf s ALA 54 Cb 0.22 -2.06 0.80 0.00 0.00 0.00 0.00 23.12 22.08 2dbf s ALA 54 CO 0.79 -2.04 1.81 -1.35 0.00 0.00 0.00 175.76 174.96 2dbf h PRO 55 N 6.43 0.69 -0.34 0.00 0.11 -1.64 0.25 132.00 137.49 2dbf h PRO 55 Ca -0.02 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 2dbf h PRO 55 Cb 0.89 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 2dbf h PRO 55 CO 0.62 0.46 -0.20 0.66 -0.21 0.00 0.00 178.00 179.33 2dbf h SER 56 N 0.71 0.64 0.04 -2.05 4.64 -1.91 -1.80 113.55 113.83 2dbf h SER 56 Ca 0.53 -0.21 -0.28 0.00 -0.47 0.00 0.00 61.79 61.37 2dbf h SER 56 Cb 0.90 -0.17 0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2dbf h SER 56 CO -0.30 0.84 -1.11 0.50 -0.87 0.00 0.00 176.83 175.88 2dbf h LYS 57 N 0.57 0.68 -0.11 4.77 3.64 -1.32 -3.23 116.57 121.56 2dbf h LYS 57 Ca 0.09 -0.79 -0.05 0.00 -1.27 0.00 0.00 60.65 58.63 2dbf h LYS 57 Cb 0.65 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2dbf h LYS 57 CO 0.05 1.35 -0.15 1.15 -2.27 0.00 0.00 179.45 179.58 2dbf h THR 58 N 0.35 1.17 0.41 1.00 2.02 -0.53 -2.43 112.91 114.89 2dbf h THR 58 Ca -0.15 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 2dbf h THR 58 Cb 1.77 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 2dbf h THR 58 CO 0.22 0.23 -0.20 0.25 0.37 0.00 0.00 175.52 176.39 2dbf h LEU 59 N 0.17 -0.46 -1.63 2.58 5.85 -1.35 0.00 115.31 120.48 2dbf h LEU 59 Ca 0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2dbf h LEU 59 Cb 0.37 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2dbf h LEU 59 CO 0.02 -0.32 -0.07 0.24 -0.34 0.00 0.00 178.44 177.97 2dbf h MET 60 N -0.56 0.14 -0.09 1.25 2.86 -1.57 0.30 114.93 117.26 2dbf h MET 60 Ca -0.06 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 2dbf h MET 60 Cb 0.43 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2dbf h MET 60 CO 0.09 0.23 -0.56 0.22 1.06 0.00 0.00 176.91 177.95 2dbf h ASP 61 N 0.14 0.31 0.59 1.22 1.82 -1.05 -1.75 116.42 117.71 2dbf h ASP 61 Ca 0.03 -0.17 -0.28 0.00 -0.39 0.00 0.00 57.03 56.23 2dbf h ASP 61 Cb 0.23 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.12 2dbf h ASP 61 CO 0.01 0.80 -1.49 0.78 -1.61 0.00 0.00 179.24 177.74 2dbf h ASN 62 N 0.21 0.14 0.21 2.28 2.35 -0.23 -3.27 115.58 117.28 2dbf h ASN 62 Ca 0.00 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.40 2dbf h ASN 62 Cb 1.05 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 2dbf h ASN 62 CO 0.09 1.18 -0.52 0.22 -1.65 0.00 0.00 177.43 176.75 2dbf h TYR 63 N 0.02 0.43 -0.17 1.19 3.20 -0.40 -3.02 116.97 118.22 2dbf h TYR 63 Ca -0.21 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.40 2dbf h TYR 63 Cb 1.95 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.13 2dbf h TYR 63 CO 0.02 0.80 -0.39 1.49 -1.64 0.00 0.00 178.16 178.45 2dbf h GLU 64 N 0.27 0.37 -0.04 1.82 4.81 -1.43 -1.71 114.58 118.67 2dbf h GLU 64 Ca 0.01 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2dbf h GLU 64 Cb 1.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2dbf h GLU 64 CO 0.09 0.71 -0.10 0.28 -0.73 0.00 0.00 179.01 179.26 2dbf h VAL 65 N 0.31 1.10 -0.92 0.32 2.07 -1.57 -1.78 116.25 115.77 2dbf h VAL 65 Ca 0.03 -0.44 -0.48 0.00 0.82 0.00 0.00 66.70 66.63 2dbf h VAL 65 Cb 0.83 1.18 -0.29 0.00 -1.52 0.00 0.00 31.29 31.49 2dbf h VAL 65 CO 0.07 0.13 0.61 -1.20 0.02 0.00 0.00 177.57 177.20 2dbf n SER 66 N -4.39 3.72 -3.21 0.57 7.64 -1.06 -4.92 113.62 111.97 2dbf n SER 66 Ca -0.02 -3.49 -0.09 0.00 1.01 0.00 0.00 58.87 56.28 2dbf n SER 66 Cb 0.19 -0.82 0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2dbf n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbf n GLY 67 N -1.02 -1.20 3.78 0.23 0.00 -0.67 -4.95 105.19 101.36 2dbf n GLY 67 Ca 0.55 0.52 -0.37 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.19 2.78 0.22 -0.02 0.00 -0.67 -4.53 107.32 101.92 2dbf s GLY 68 Ca 0.22 0.84 0.09 0.00 0.00 0.00 0.00 44.72 45.87 2dbf s GLY 68 CO 0.76 1.30 -0.08 -0.51 0.00 0.00 0.00 173.10 174.57 2dbf s THR 69 N -1.57 3.19 0.14 0.90 -4.23 -1.26 -1.76 115.64 111.05 2dbf s THR 69 Ca 0.60 -1.83 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 2dbf s THR 69 Cb -0.26 -2.63 -0.14 0.00 1.34 0.00 0.00 72.50 70.81 2dbf s THR 69 CO 0.32 -0.23 1.36 0.58 -0.54 0.00 0.00 174.62 176.11 2dbf h VAL 70 N 2.42 1.33 -0.37 2.29 2.07 -1.96 -3.13 116.25 118.90 2dbf h VAL 70 Ca -0.45 -2.10 0.05 0.00 0.82 0.00 0.00 66.70 65.02 2dbf h VAL 70 Cb 1.23 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2dbf h VAL 70 CO 0.57 0.65 0.25 0.03 0.02 0.00 0.00 177.57 179.08 2dbf h ARG 71 N 0.39 0.29 -0.03 1.57 2.47 -1.96 0.00 114.38 117.11 2dbf h ARG 71 Ca -0.05 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.51 2dbf h ARG 71 Cb 1.39 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 2dbf h ARG 71 CO 0.15 0.19 -0.66 0.93 0.56 0.00 0.00 179.97 181.14 2dbf h GLU 72 N 0.29 0.14 0.01 0.04 4.39 -1.97 -1.80 114.58 115.68 2dbf h GLU 72 Ca 0.16 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 2dbf h GLU 72 Cb 0.26 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2dbf h GLU 72 CO -0.03 0.75 -0.77 1.25 -1.16 0.00 0.00 179.01 179.04 2dbf h LEU 73 N 0.10 0.66 -0.98 1.33 5.85 -1.11 -0.69 115.31 120.48 2dbf h LEU 73 Ca -0.01 -0.76 -0.10 0.00 0.84 0.00 0.00 57.88 57.85 2dbf h LEU 73 Cb 1.18 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2dbf h LEU 73 CO 0.10 1.34 -0.32 0.58 -0.34 0.00 0.00 178.44 179.80 2dbf h VAL 74 N 0.06 1.28 0.05 1.05 2.07 -1.09 -1.22 116.25 118.45 2dbf h VAL 74 Ca -0.10 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 2dbf h VAL 74 Cb 1.47 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2dbf h VAL 74 CO 0.15 0.41 -0.42 -0.33 0.02 0.00 0.00 177.57 177.41 2dbf h GLU 75 N 0.30 0.19 -0.71 1.57 5.08 -1.37 -3.15 114.58 116.48 2dbf h GLU 75 Ca 0.04 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2dbf h GLU 75 Cb 0.72 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2dbf h GLU 75 CO 0.05 1.07 0.47 0.00 -1.00 0.00 0.00 179.01 179.61 2dbf h ALA 76 N 0.13 0.90 -0.10 3.43 0.00 -1.11 -1.27 119.26 121.25 2dbf h ALA 76 Ca -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dbf h ALA 76 Cb 1.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2dbf h ALA 76 CO 0.08 0.33 0.05 -0.07 0.00 0.00 0.00 179.25 179.64 2dbf h LEU 77 N 0.97 0.12 -0.03 0.00 3.38 -1.33 -1.93 115.31 116.48 2dbf h LEU 77 Ca 0.26 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.97 2dbf h LEU 77 Cb -0.11 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.62 2dbf h LEU 77 CO -0.06 0.11 -1.08 -0.09 0.09 0.00 0.00 178.44 177.41 2dbf h ARG 78 N 0.14 0.46 -0.94 1.13 2.43 -1.28 0.26 114.38 116.58 2dbf h ARG 78 Ca 0.04 -0.56 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2dbf h ARG 78 Cb 0.02 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 2dbf h ARG 78 CO -0.01 1.21 0.58 1.96 -1.51 0.00 0.00 179.97 182.21 2dbf h GLN 79 N 0.22 1.26 0.13 0.20 4.20 -0.50 -3.18 115.11 117.44 2dbf h GLN 79 Ca -0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2dbf h GLN 79 Cb 1.75 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 29.26 2dbf h GLN 79 CO 0.19 0.87 -0.06 0.52 -0.67 0.00 0.00 178.83 179.68 2dbf h MET 80 N 1.28 -0.17 0.00 1.46 2.86 -1.50 -3.49 114.93 115.38 2dbf h MET 80 Ca 0.34 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2dbf h MET 80 Cb -0.08 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2dbf h MET 80 CO -0.07 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.53 2dbf n GLY 81 N 1.01 0.12 3.55 8.32 0.00 -0.82 -4.77 105.19 112.59 2dbf n GLY 81 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.13 3.17 -0.10 1.61 2.02 0.85 -4.94 117.35 119.83 2dbf s TYR 82 Ca 0.00 -0.13 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 2dbf s TYR 82 Cb 0.00 -2.19 -0.11 0.00 -0.40 0.00 0.00 41.96 39.27 2dbf s TYR 82 CO 0.00 -0.10 -0.01 2.41 -1.57 0.00 0.00 175.55 176.28 2dbf n THR 83 N 4.33 0.66 0.06 -0.71 -1.04 -1.26 -4.37 114.28 111.95 2dbf n THR 83 Ca -0.16 -0.36 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 2dbf n THR 83 Cb 0.52 -0.80 -0.13 0.00 -1.82 0.00 0.00 70.33 68.10 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 0.06 -0.46 -2.82 4.81 -1.99 -3.10 114.58 111.08 2dbf h GLU 84 Ca -0.26 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.74 2dbf h GLU 84 Cb 1.53 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 2dbf h GLU 84 CO -0.00 0.98 -0.18 0.00 -0.73 0.00 0.00 179.01 179.07 2dbf h ALA 85 N 0.89 0.65 -0.03 2.92 0.00 -1.97 -2.97 119.26 118.75 2dbf h ALA 85 Ca -0.08 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2dbf h ALA 85 Cb 1.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2dbf h ALA 85 CO 0.14 0.61 -0.52 0.82 0.00 0.00 0.00 179.25 180.30 2dbf h ILE 86 N 0.78 1.37 -0.08 0.00 2.04 -1.76 -2.90 117.51 116.96 2dbf h ILE 86 Ca 0.11 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.14 2dbf h ILE 86 Cb 0.75 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2dbf h ILE 86 CO 0.06 0.52 -0.19 -0.33 0.00 0.00 0.00 178.15 178.21 2dbf h GLU 87 N 0.07 0.13 -0.48 2.37 5.08 -1.44 -0.93 114.58 119.38 2dbf h GLU 87 Ca -0.00 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2dbf h GLU 87 Cb 0.94 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2dbf h GLU 87 CO 0.07 0.32 -0.09 0.28 -1.00 0.00 0.00 179.01 178.58 2dbf h VAL 88 N 0.12 1.27 -0.04 3.13 2.07 -1.37 -1.05 116.25 120.38 2dbf h VAL 88 Ca 0.02 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 2dbf h VAL 88 Cb 0.41 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2dbf h VAL 88 CO 0.03 0.42 -0.27 0.40 0.02 0.00 0.00 177.57 178.17 2dbf h ILE 89 N 0.77 1.47 -0.01 4.57 2.04 -1.52 -3.21 117.51 121.62 2dbf h ILE 89 Ca 0.12 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 2dbf h ILE 89 Cb 0.64 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 2dbf h ILE 89 CO 0.04 0.50 -0.06 1.56 0.00 0.00 0.00 178.15 180.19 2dbf h GLN 90 N -0.32 0.02 -0.73 2.37 4.20 -1.20 -1.21 115.11 118.23 2dbf h GLN 90 Ca -0.02 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2dbf h GLN 90 Cb 0.96 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 2dbf h GLN 90 CO 0.06 0.08 0.46 0.00 -0.67 0.00 0.00 178.83 178.76 2dbf h ALA 91 N 1.92 0.95 0.21 3.87 0.00 -1.19 -2.99 119.26 122.03 2dbf h ALA 91 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 2dbf h ALA 91 Cb 0.12 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 17.70 2dbf h ALA 91 CO 0.01 0.26 -1.21 0.00 0.00 0.00 0.00 179.25 178.31 2dbf h ALA 92 N 1.30 -0.13 -2.29 0.00 0.00 -1.48 -3.42 119.26 113.25 2dbf h ALA 92 Ca 0.29 -0.80 -0.70 0.00 0.00 0.00 0.00 54.91 53.70 2dbf h ALA 92 Cb 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 17.79 17.75 2dbf h ALA 92 CO -0.10 0.57 -0.17 0.45 0.00 0.00 0.00 179.25 180.00 2dbf s SER 93 N -7.33 6.19 0.52 0.00 0.15 -0.51 -5.06 113.70 107.67 2dbf s SER 93 Ca -0.11 -0.87 -0.17 0.00 0.70 0.00 0.00 55.95 55.49 2dbf s SER 93 Cb 0.03 -2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 62.03 2dbf s SER 93 CO 0.90 -0.68 1.00 -0.44 1.20 0.00 0.00 173.24 175.22 2dbf s SER 94 N 2.20 6.46 -0.21 5.45 0.01 -1.25 -4.51 113.70 121.84 2dbf s SER 94 Ca 0.11 1.65 -0.04 0.00 1.31 0.00 0.00 55.95 58.99 2dbf s SER 94 Cb -0.19 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 63.61 2dbf s SER 94 CO 0.12 -0.70 0.17 -0.44 0.41 0.00 0.00 173.24 172.79 2dbf s SER 95 N -2.87 2.08 0.19 2.44 0.01 -1.26 -5.12 113.70 109.18 2dbf s SER 95 Ca 0.61 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2dbf s SER 95 Cb -0.11 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2dbf s SER 95 CO 0.30 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2dbf n GLY 96 N 5.29 -2.00 3.69 3.44 0.00 -1.26 -4.78 105.19 109.58 2dbf n GLY 96 Ca -0.06 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.95 4.27 0.28 1.61 0.04 -1.26 -5.00 135.00 134.00 2dbf s PRO 97 Ca 0.00 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 2dbf s PRO 97 Cb 0.00 -3.57 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 2dbf s PRO 97 CO 0.00 -0.59 0.48 -1.54 0.04 0.00 0.00 177.00 175.39 2dbf s SER 98 N 1.91 0.24 -0.12 6.66 1.04 -1.26 -5.08 113.70 117.09 2dbf s SER 98 Ca 0.65 -1.14 0.05 0.00 0.48 0.00 0.00 55.95 55.98 2dbf s SER 98 Cb -0.32 0.62 -0.11 0.00 0.10 0.00 0.00 66.02 66.30 2dbf s SER 98 CO 0.27 -1.21 -0.05 -1.54 0.98 0.00 0.00 173.24 171.69 2dbf n SER 99 N -0.76 2.65 0.00 7.02 3.41 -1.26 -5.17 113.62 119.51 2dbf n SER 99 Ca -0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2dbf n SER 99 Cb 0.62 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49