#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 -1.38 -0.49 1.61 0.15 -1.26 -5.12 113.70 107.22 2dbf s SER 2 Ca 0.00 -0.67 -0.29 0.00 0.70 0.00 0.00 55.95 55.70 2dbf s SER 2 Cb 0.00 1.76 0.03 0.00 -1.71 0.00 0.00 66.02 66.10 2dbf s SER 2 CO 0.00 -0.16 1.14 -0.94 1.20 0.00 0.00 173.24 174.48 2dbf s SER 3 N 1.90 6.60 0.38 5.45 1.04 -1.26 -4.89 113.70 122.93 2dbf s SER 3 Ca 0.16 0.41 0.16 0.00 0.48 0.00 0.00 55.95 57.15 2dbf s SER 3 Cb -0.03 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.31 2dbf s SER 3 CO -0.09 -1.28 1.82 1.23 0.98 0.00 0.00 173.24 175.90 2dbf h GLY 4 N 11.29 0.00 1.30 7.32 0.00 -2.03 -3.03 103.07 117.92 2dbf h GLY 4 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.81 2dbf h GLY 4 CO 1.13 0.00 -1.49 1.48 0.00 0.00 0.00 176.54 177.67 2dbf h SER 5 N 0.00 0.26 -3.91 0.19 4.64 -2.08 -3.50 113.55 109.15 2dbf h SER 5 Ca -0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2dbf h SER 5 Cb 0.71 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2dbf h SER 5 CO 0.05 1.31 -0.87 -0.24 -0.87 0.00 0.00 176.83 176.21 2dbf n SER 6 N -3.37 -7.71 -0.03 4.97 2.88 -1.15 -5.06 113.62 104.15 2dbf n SER 6 Ca -0.14 1.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 2dbf n SER 6 Cb 1.03 -4.45 0.00 0.00 -0.75 0.00 0.00 64.21 60.03 2dbf n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbf n GLY 7 N -2.17 0.89 1.58 0.46 0.00 -1.26 -4.89 105.19 99.81 2dbf n GLY 7 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.92 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 0.45 -0.02 1.61 9.92 0.68 -4.88 116.55 124.31 2dbf n ASP 8 Ca 0.00 -2.01 -0.11 0.00 -0.53 0.00 0.00 54.79 52.13 2dbf n ASP 8 Cb 0.00 -0.12 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 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 0.16 0.66 0.14 -1.24 2.81 -0.40 -4.05 117.12 115.20 2dbf n MET 9 Ca -0.03 0.27 0.05 0.00 -1.81 0.00 0.00 57.70 56.17 2dbf n MET 9 Cb 0.99 -1.76 0.48 0.00 -0.71 0.00 0.00 33.22 32.22 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 0.01 0.23 0.00 0.03 1.57 -1.86 -1.66 116.57 114.89 2dbf h LYS 10 Ca -0.33 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 2dbf h LYS 10 Cb 2.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.29 2dbf h LYS 10 CO 0.08 0.25 -0.17 -0.56 -0.57 0.00 0.00 179.45 178.48 2dbf h GLN 11 N 0.23 0.00 -7.31 3.15 3.07 -1.95 -3.44 115.11 108.87 2dbf h GLN 11 Ca 0.05 0.00 -0.43 0.00 0.09 0.00 0.00 58.65 58.36 2dbf h GLN 11 Cb 0.16 0.00 0.18 0.00 0.08 0.00 0.00 27.48 27.90 2dbf h GLN 11 CO 0.00 0.17 0.12 -0.51 0.09 0.00 0.00 178.83 178.70 2dbf s LEU 12 N -8.64 0.95 0.13 0.06 1.43 -0.63 -5.06 118.68 106.93 2dbf s LEU 12 Ca -0.04 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.17 2dbf s LEU 12 Cb 0.16 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2dbf s LEU 12 CO 0.69 -3.80 -0.07 0.00 0.23 0.00 0.00 176.35 173.40 2dbf s ALA 13 N -2.84 3.04 0.28 4.21 0.00 -1.26 -5.03 121.76 120.17 2dbf s ALA 13 Ca 0.68 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 2dbf s ALA 13 Cb -0.17 -0.92 0.41 0.00 0.00 0.00 0.00 23.12 22.45 2dbf s ALA 13 CO 0.58 0.58 1.85 1.49 0.00 0.00 0.00 175.76 180.26 2dbf h GLU 14 N 3.26 0.86 0.00 0.00 4.57 -1.96 -2.04 114.58 119.27 2dbf h GLU 14 Ca -0.48 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 57.52 2dbf h GLU 14 Cb 1.18 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2dbf h GLU 14 CO 0.55 0.74 -0.12 -0.44 -1.18 0.00 0.00 179.01 178.55 2dbf h ASP 15 N 0.84 0.00 0.06 1.04 3.32 -1.98 0.45 116.42 120.15 2dbf h ASP 15 Ca 0.19 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2dbf h ASP 15 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2dbf h ASP 15 CO -0.01 0.12 -0.03 0.58 -1.72 0.00 0.00 179.24 178.19 2dbf h VAL 16 N 0.00 1.28 0.00 -1.35 2.07 -1.73 -3.24 116.25 113.28 2dbf h VAL 16 Ca -0.00 -1.45 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 2dbf h VAL 16 Cb 0.22 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2dbf h VAL 16 CO 0.02 0.35 -0.46 0.11 0.02 0.00 0.00 177.57 177.60 2dbf h LYS 17 N -0.76 0.00 -0.51 1.57 6.56 -1.31 -2.99 116.57 119.13 2dbf h LYS 17 Ca -0.01 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.64 2dbf h LYS 17 Cb 0.62 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.26 2dbf h LYS 17 CO 0.01 0.46 0.34 -0.07 -2.06 0.00 0.00 179.45 178.13 2dbf h LEU 18 N 0.00 0.41 -0.07 2.94 3.38 -0.16 -1.24 115.31 120.57 2dbf h LEU 18 Ca -0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2dbf h LEU 18 Cb 0.92 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2dbf h LEU 18 CO 0.06 0.27 -1.00 1.56 0.09 0.00 0.00 178.44 179.42 2dbf h GLN 19 N 0.47 0.09 -0.20 1.13 4.20 -1.55 -3.24 115.11 116.01 2dbf h GLN 19 Ca 0.22 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2dbf h GLN 19 Cb 0.27 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2dbf h GLN 19 CO -0.06 1.01 0.10 -0.07 -0.67 0.00 0.00 178.83 179.15 2dbf h LEU 20 N 0.03 0.23 -0.25 1.46 3.38 -1.22 -2.42 115.31 116.52 2dbf h LEU 20 Ca -0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2dbf h LEU 20 Cb 1.72 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 2dbf h LEU 20 CO 0.14 0.20 0.03 1.88 0.09 0.00 0.00 178.44 180.77 2dbf h TYR 21 N 0.27 0.46 -0.20 1.13 0.05 -1.52 -1.06 116.97 116.10 2dbf h TYR 21 Ca 0.07 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2dbf h TYR 21 Cb 0.02 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 2dbf h TYR 21 CO 0.00 0.56 0.13 0.87 -1.05 0.00 0.00 178.16 178.68 2dbf h LYS 22 N 0.23 0.23 0.13 4.88 1.57 -1.55 0.10 116.57 122.16 2dbf h LYS 22 Ca 0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2dbf h LYS 22 Cb 0.36 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2dbf h LYS 22 CO 0.01 0.16 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.91 2dbf h LEU 23 N 0.24 -0.14 -2.28 2.94 3.38 -1.23 -3.28 115.31 114.95 2dbf h LEU 23 Ca 0.08 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2dbf h LEU 23 Cb 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2dbf h LEU 23 CO -0.02 0.46 -0.01 -0.07 0.09 0.00 0.00 178.44 178.90 2dbf h LEU 24 N -0.94 0.00 -2.23 1.67 3.38 -1.02 -1.56 115.31 114.61 2dbf h LEU 24 Ca -0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2dbf h LEU 24 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2dbf h LEU 24 CO 0.03 0.01 0.24 -0.08 0.09 0.00 0.00 178.44 178.73 2dbf h GLU 25 N 0.00 0.00 -6.33 1.13 4.22 -0.85 -1.95 114.58 110.80 2dbf h GLU 25 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.90 2dbf h GLU 25 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2dbf h GLU 25 CO 0.00 0.00 1.10 0.42 -2.18 0.00 0.00 179.01 178.35 2dbf s ILE 26 N -4.48 3.33 -1.10 2.32 1.01 -0.59 -4.87 121.20 116.82 2dbf s ILE 26 Ca -0.04 0.50 -0.09 0.00 0.00 0.00 0.00 60.65 61.02 2dbf s ILE 26 Cb 0.14 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.22 2dbf s ILE 26 CO 0.48 -0.03 2.29 -0.81 0.00 0.00 0.00 174.94 176.87 2dbf n PRO 27 N 6.84 2.44 -4.19 2.79 -0.04 -1.26 -3.64 135.00 137.94 2dbf n PRO 27 Ca 0.17 -1.76 -0.23 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 3.32 5.09 0.29 3.54 1.11 -1.26 -5.00 116.67 123.76 2dbf s ASP 28 Ca 0.49 -0.40 0.08 0.00 0.18 0.00 0.00 52.55 52.90 2dbf s ASP 28 Cb 0.13 -1.17 0.44 0.00 1.07 0.00 0.00 42.92 43.39 2dbf s ASP 28 CO -0.02 -0.00 1.68 1.55 1.18 0.00 0.00 175.17 179.55 2dbf h PRO 29 N 1.84 0.16 -0.04 8.23 0.13 -1.98 -3.09 132.00 137.24 2dbf h PRO 29 Ca -0.47 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 2dbf h PRO 29 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2dbf h PRO 29 CO 0.60 0.60 -0.68 -0.25 -0.23 0.00 0.00 178.00 178.05 2dbf n ASP 30 N -3.97 1.62 -1.29 1.44 8.00 -1.26 -4.71 116.55 116.39 2dbf n ASP 30 Ca -0.02 -3.30 -0.04 0.00 0.71 0.00 0.00 54.79 52.14 2dbf n ASP 30 Cb 0.52 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.62 0.17 -4.36 -1.24 5.02 -1.23 -4.34 118.16 111.57 2dbf n LYS 31 Ca 0.16 -1.27 -0.25 0.00 -2.02 0.00 0.00 58.31 54.93 2dbf n LYS 31 Cb 0.84 0.35 -0.09 0.00 -0.02 0.00 0.00 35.03 36.10 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 -1.27 4.02 0.33 4.39 3.04 -1.17 -4.11 114.94 120.16 2dbf s ASN 32 Ca 0.08 -0.76 0.01 0.00 0.04 0.00 0.00 52.86 52.23 2dbf s ASN 32 Cb 0.12 -0.57 0.56 0.00 -1.54 0.00 0.00 41.25 39.82 2dbf s ASN 32 CO -0.04 0.06 1.97 4.11 -3.04 0.00 0.00 177.10 180.16 2dbf h TRP 33 N 2.54 0.85 -0.82 0.43 5.08 -1.60 -2.10 115.95 120.32 2dbf h TRP 33 Ca -0.44 -0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.55 2dbf h TRP 33 Cb 1.23 -0.28 -0.04 0.00 -3.00 0.00 0.00 29.16 27.07 2dbf h TRP 33 CO 0.70 0.57 0.54 0.00 -1.28 0.00 0.00 178.44 178.98 2dbf h ALA 34 N 1.53 1.45 -0.48 0.11 0.00 -1.95 -1.19 119.26 118.73 2dbf h ALA 34 Ca 0.23 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2dbf h ALA 34 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2dbf h ALA 34 CO -0.04 0.48 -0.20 1.15 0.00 0.00 0.00 179.25 180.65 2dbf h THR 35 N 1.07 1.27 -0.08 0.00 2.02 -1.72 -2.88 112.91 112.59 2dbf h THR 35 Ca 0.31 -1.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 2dbf h THR 35 Cb -0.05 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2dbf h THR 35 CO -0.08 0.47 -0.35 0.25 0.37 0.00 0.00 175.52 176.18 2dbf h LEU 36 N 0.84 0.16 -1.14 2.58 5.85 -1.14 -2.68 115.31 119.78 2dbf h LEU 36 Ca 0.11 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2dbf h LEU 36 Cb 0.76 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2dbf h LEU 36 CO 0.06 0.50 -0.26 0.00 -0.34 0.00 0.00 178.44 178.41 2dbf h ALA 37 N 1.51 1.28 -0.08 1.25 0.00 -1.03 -0.73 119.26 121.46 2dbf h ALA 37 Ca 0.02 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 2dbf h ALA 37 Cb 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dbf h ALA 37 CO 0.05 0.48 -0.77 1.96 0.00 0.00 0.00 179.25 180.98 2dbf h GLN 38 N 0.25 0.48 -0.06 0.00 4.20 -1.33 0.20 115.11 118.85 2dbf h GLN 38 Ca 0.04 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 58.27 2dbf h GLN 38 Cb 0.60 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2dbf h GLN 38 CO 0.04 1.05 -0.24 0.87 -0.67 0.00 0.00 178.83 179.88 2dbf h LYS 39 N 0.32 0.27 0.83 1.46 6.56 -1.27 -3.35 116.57 121.40 2dbf h LYS 39 Ca -0.04 -0.21 -0.04 0.00 -1.06 0.00 0.00 60.65 59.30 2dbf h LYS 39 Cb 1.36 0.04 0.01 0.00 -0.57 0.00 0.00 32.23 33.07 2dbf h LYS 39 CO 0.14 0.84 -0.40 -0.07 -2.06 0.00 0.00 179.45 177.90 2dbf h LEU 40 N -0.24 -0.94 0.00 2.94 3.38 -1.21 -3.48 115.31 115.77 2dbf h LEU 40 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dbf h LEU 40 Cb 0.87 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2dbf h LEU 40 CO 0.05 -0.61 0.00 0.61 0.09 0.00 0.00 178.44 178.58 2dbf n GLY 41 N -1.19 0.07 1.46 0.83 0.00 -0.75 -5.06 105.19 100.54 2dbf n GLY 41 Ca -0.14 0.00 0.03 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 1.45 0.22 0.99 4.77 0.64 -4.85 117.00 120.23 2dbf n LEU 42 Ca 0.00 -2.50 0.07 0.00 -0.03 0.00 0.00 56.01 53.55 2dbf n LEU 42 Cb 0.00 -0.06 0.51 0.00 -2.33 0.00 0.00 43.42 41.54 2dbf n LEU 42 CO 0.00 0.75 0.84 1.23 -1.33 0.00 0.00 177.39 178.88 2dbf h GLY 43 N 1.16 0.00 1.93 -0.72 0.00 -1.86 -2.56 103.07 101.03 2dbf h GLY 43 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2dbf h GLY 43 CO 0.10 0.00 -0.51 1.19 0.00 0.00 0.00 176.54 177.32 2dbf h ILE 44 N 0.00 1.36 -0.81 2.60 6.09 -1.92 -2.93 117.51 121.91 2dbf h ILE 44 Ca -0.00 -1.75 -0.42 0.00 -1.37 0.00 0.00 64.86 61.32 2dbf h ILE 44 Cb 0.52 1.91 -0.25 0.00 0.47 0.00 0.00 36.82 39.48 2dbf h ILE 44 CO 0.03 0.51 0.44 0.18 -3.07 0.00 0.00 178.15 176.24 2dbf n LEU 45 N -3.94 6.01 0.10 2.19 4.77 -0.98 -4.54 117.00 120.61 2dbf n LEU 45 Ca -0.02 -3.64 -0.00 0.00 -0.03 0.00 0.00 56.01 52.32 2dbf n LEU 45 Cb 0.53 -0.78 0.30 0.00 -2.33 0.00 0.00 43.42 41.14 2dbf n LEU 45 CO 0.41 1.10 0.76 -1.13 -1.33 0.00 0.00 177.39 177.20 2dbf h ASN 46 N 1.07 0.25 0.31 -1.43 -0.73 -1.37 -2.76 115.58 110.92 2dbf h ASN 46 Ca 0.51 -0.08 -0.17 0.00 1.87 0.00 0.00 56.30 58.43 2dbf h ASN 46 Cb 2.53 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 41.04 2dbf h ASN 46 CO 0.90 0.53 -0.70 -1.13 -0.37 0.00 0.00 177.43 176.66 2dbf h ASN 47 N 0.23 0.41 -0.05 1.15 -0.73 -1.84 -2.12 115.58 112.62 2dbf h ASN 47 Ca 0.03 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 57.93 2dbf h ASN 47 Cb 0.60 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 2dbf h ASN 47 CO 0.04 0.98 0.01 0.00 -0.37 0.00 0.00 177.43 178.10 2dbf h ALA 48 N 1.01 1.86 0.08 1.57 0.00 -1.82 -2.07 119.26 119.89 2dbf h ALA 48 Ca -0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 2dbf h ALA 48 Cb 1.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2dbf h ALA 48 CO 0.12 0.12 -1.69 0.74 0.00 0.00 0.00 179.25 178.53 2dbf h PHE 49 N 0.12 0.32 -0.47 0.00 0.04 -1.48 -3.33 116.94 112.13 2dbf h PHE 49 Ca 0.03 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2dbf h PHE 49 Cb 0.07 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2dbf h PHE 49 CO 0.00 1.37 0.30 -0.09 -0.60 0.00 0.00 178.31 179.29 2dbf h ARG 50 N 0.05 0.63 -0.46 1.51 2.43 -0.94 -2.13 114.38 115.48 2dbf h ARG 50 Ca -0.30 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.71 2dbf h ARG 50 Cb 2.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.41 2dbf h ARG 50 CO 0.12 0.43 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.75 2dbf h LEU 51 N 0.65 0.92-10.11 3.80 3.38 -1.52 -3.44 115.31 108.98 2dbf h LEU 51 Ca 0.17 -0.33 -0.52 0.00 0.09 0.00 0.00 57.88 57.30 2dbf h LEU 51 Cb -0.05 -0.25 0.11 0.00 0.09 0.00 0.00 40.66 40.56 2dbf h LEU 51 CO -0.04 1.08 0.45 -0.44 0.09 0.00 0.00 178.44 179.58 2dbf s SER 52 N -6.72 5.19 0.19 -0.43 0.01 -0.80 -4.94 113.70 106.21 2dbf s SER 52 Ca -0.10 2.30 -0.13 0.00 1.31 0.00 0.00 55.95 59.33 2dbf s SER 52 Cb 0.13 -2.59 0.21 0.00 0.21 0.00 0.00 66.02 63.98 2dbf s SER 52 CO 0.85 -1.59 1.69 -0.65 0.41 0.00 0.00 173.24 173.96 2dbf h PRO 53 N 0.74 0.16 -3.28 12.44 0.11 -1.86 -3.30 132.00 137.02 2dbf h PRO 53 Ca -0.50 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 64.97 2dbf h PRO 53 Cb 1.28 -0.04 -0.41 0.00 0.11 0.00 0.00 31.00 31.94 2dbf h PRO 53 CO 0.55 0.11 -0.61 0.00 -0.21 0.00 0.00 178.00 177.84 2dbf s ALA 54 N -6.15 3.49 0.46 -0.75 0.00 -1.26 -4.95 121.76 112.60 2dbf s ALA 54 Ca -0.13 -3.48 0.23 0.00 0.00 0.00 0.00 51.96 48.58 2dbf s ALA 54 Cb 0.16 -2.17 1.23 0.00 0.00 0.00 0.00 23.12 22.34 2dbf s ALA 54 CO 0.73 -2.05 1.85 -1.35 0.00 0.00 0.00 175.76 174.94 2dbf h PRO 55 N 6.11 0.25 -0.28 0.00 0.11 -1.65 0.22 132.00 136.76 2dbf h PRO 55 Ca -0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 2dbf h PRO 55 Cb 0.84 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 2dbf h PRO 55 CO 0.70 0.17 -0.08 0.66 -0.21 0.00 0.00 178.00 179.24 2dbf h SER 56 N 0.26 0.44 0.15 -2.05 4.64 -1.92 -1.48 113.55 113.59 2dbf h SER 56 Ca 0.48 -0.10 -0.26 0.00 -0.47 0.00 0.00 61.79 61.44 2dbf h SER 56 Cb 1.42 -0.12 0.03 0.00 -0.31 0.00 0.00 62.40 63.43 2dbf h SER 56 CO -0.14 0.57 -1.11 0.50 -0.87 0.00 0.00 176.83 175.78 2dbf h LYS 57 N 0.44 0.48 -0.13 4.77 3.64 -0.98 -3.28 116.57 121.51 2dbf h LYS 57 Ca 0.09 -0.72 -0.03 0.00 -1.27 0.00 0.00 60.65 58.71 2dbf h LYS 57 Cb 0.42 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2dbf h LYS 57 CO 0.02 1.33 -0.06 1.15 -2.27 0.00 0.00 179.45 179.63 2dbf h THR 58 N 0.00 1.12 0.13 1.00 2.02 -1.16 -2.53 112.91 113.49 2dbf h THR 58 Ca -0.18 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2dbf h THR 58 Cb 1.84 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2dbf h THR 58 CO 0.21 0.16 -0.06 0.25 0.37 0.00 0.00 175.52 176.45 2dbf h LEU 59 N 0.18 -0.14 -1.59 2.58 5.85 -1.33 -0.76 115.31 120.10 2dbf h LEU 59 Ca 0.04 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2dbf h LEU 59 Cb 0.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2dbf h LEU 59 CO 0.01 -0.05 -0.06 0.24 -0.34 0.00 0.00 178.44 178.24 2dbf h MET 60 N -0.22 0.19 -0.06 1.25 2.86 -1.56 0.58 114.93 117.96 2dbf h MET 60 Ca -0.02 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 2dbf h MET 60 Cb 0.18 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2dbf h MET 60 CO 0.03 0.27 -0.57 -0.44 1.06 0.00 0.00 176.91 177.26 2dbf h ASP 61 N 0.18 0.22 0.31 1.22 5.19 -1.04 -2.59 116.42 119.92 2dbf h ASP 61 Ca 0.04 -0.12 -0.33 0.00 -0.62 0.00 0.00 57.03 56.00 2dbf h ASP 61 Cb 0.23 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2dbf h ASP 61 CO 0.01 0.74 -1.78 0.78 -3.12 0.00 0.00 179.24 175.87 2dbf h ASN 62 N 0.15 0.32 0.02 6.45 2.35 -0.36 -3.32 115.58 121.19 2dbf h ASN 62 Ca -0.00 -0.61 -0.03 0.00 -0.55 0.00 0.00 56.30 55.11 2dbf h ASN 62 Cb 1.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 2dbf h ASN 62 CO 0.09 1.53 -0.08 0.22 -1.65 0.00 0.00 177.43 177.54 2dbf h TYR 63 N 0.06 0.14 -0.07 1.19 3.20 0.11 -1.99 116.97 119.61 2dbf h TYR 63 Ca -0.33 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.39 2dbf h TYR 63 Cb 2.03 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 40.24 2dbf h TYR 63 CO 0.06 0.23 -0.59 1.49 -1.64 0.00 0.00 178.16 177.71 2dbf h GLU 64 N 0.14 0.21 -0.47 1.82 4.81 -1.59 -1.93 114.58 117.58 2dbf h GLU 64 Ca 0.03 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2dbf h GLU 64 Cb 0.23 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2dbf h GLU 64 CO 0.01 0.74 0.26 0.28 -0.73 0.00 0.00 179.01 179.57 2dbf h VAL 65 N 0.16 1.14 -0.93 0.32 2.07 -1.45 -1.73 116.25 115.83 2dbf h VAL 65 Ca -0.00 -0.35 -0.51 0.00 0.82 0.00 0.00 66.70 66.66 2dbf h VAL 65 Cb 1.08 0.51 -0.28 0.00 -1.52 0.00 0.00 31.29 31.07 2dbf h VAL 65 CO 0.09 0.16 0.64 -0.24 0.02 0.00 0.00 177.57 178.24 2dbf n SER 66 N -4.42 4.29 0.00 0.57 2.88 -1.15 -4.94 113.62 110.84 2dbf n SER 66 Ca 0.04 -3.52 0.00 0.00 -1.33 0.00 0.00 58.87 54.05 2dbf n SER 66 Cb 0.09 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2dbf n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbf n GLY 67 N -0.99 1.93 1.91 0.46 0.00 -0.65 -4.85 105.19 103.00 2dbf n GLY 67 Ca 0.56 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2dbf n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dbf n GLY 68 N 0.00 -4.22 3.79 -0.02 0.00 -0.74 -3.44 105.19 100.56 2dbf n GLY 68 Ca 0.00 0.37 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 2dbf n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dbf s THR 69 N -0.32 4.86 0.18 2.61 -4.23 -1.26 -0.23 115.64 117.24 2dbf s THR 69 Ca -0.09 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2dbf s THR 69 Cb 0.01 -3.18 -0.13 0.00 1.34 0.00 0.00 72.50 70.53 2dbf s THR 69 CO 0.25 0.43 1.41 0.58 -0.54 0.00 0.00 174.62 176.75 2dbf h VAL 70 N 3.43 1.52 -0.53 2.29 2.07 -1.97 -3.14 116.25 119.93 2dbf h VAL 70 Ca -0.50 -2.65 -0.00 0.00 0.82 0.00 0.00 66.70 64.37 2dbf h VAL 70 Cb 1.19 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 2dbf h VAL 70 CO 0.61 0.77 0.32 -0.09 0.02 0.00 0.00 177.57 179.20 2dbf h ARG 71 N 0.07 0.71 -0.01 1.57 2.43 -1.95 -1.70 114.38 115.50 2dbf h ARG 71 Ca -0.03 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 58.92 2dbf h ARG 71 Cb 1.46 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 2dbf h ARG 71 CO 0.12 0.49 -0.78 0.93 -1.51 0.00 0.00 179.97 179.23 2dbf h GLU 72 N 0.72 0.12 -0.10 0.20 4.39 -1.98 -2.86 114.58 115.07 2dbf h GLU 72 Ca 0.19 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2dbf h GLU 72 Cb -0.03 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2dbf h GLU 72 CO -0.04 0.84 0.01 1.25 -1.16 0.00 0.00 179.01 179.91 2dbf h LEU 73 N 0.08 0.16 -1.01 1.33 5.85 -1.29 -0.27 115.31 120.16 2dbf h LEU 73 Ca -0.02 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2dbf h LEU 73 Cb 1.36 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2dbf h LEU 73 CO 0.11 0.40 0.26 0.58 -0.34 0.00 0.00 178.44 179.45 2dbf h VAL 74 N -0.09 1.23 -0.20 1.05 2.07 -1.45 -1.48 116.25 117.38 2dbf h VAL 74 Ca 0.03 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2dbf h VAL 74 Cb 0.31 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2dbf h VAL 74 CO 0.00 0.29 -0.07 -0.33 0.02 0.00 0.00 177.57 177.48 2dbf h GLU 75 N 0.96 0.40 -0.94 1.57 4.39 -1.39 -2.33 114.58 117.23 2dbf h GLU 75 Ca 0.22 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2dbf h GLU 75 Cb 0.19 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 2dbf h GLU 75 CO -0.02 0.68 0.58 0.00 -1.16 0.00 0.00 179.01 179.09 2dbf h ALA 76 N 0.72 1.25 -0.05 3.43 0.00 -0.83 -1.58 119.26 122.19 2dbf h ALA 76 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2dbf h ALA 76 Cb 0.54 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dbf h ALA 76 CO 0.02 0.66 -0.32 -0.07 0.00 0.00 0.00 179.25 179.54 2dbf h LEU 77 N 1.30 0.10 -0.48 0.00 3.38 -1.21 -2.54 115.31 115.86 2dbf h LEU 77 Ca 0.34 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.11 2dbf h LEU 77 Cb -0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2dbf h LEU 77 CO -0.07 0.42 -0.75 0.03 0.09 0.00 0.00 178.44 178.16 2dbf h ARG 78 N 0.09 0.12 -0.20 1.13 3.08 -0.77 0.62 114.38 118.45 2dbf h ARG 78 Ca 0.01 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 2dbf h ARG 78 Cb 0.61 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2dbf h ARG 78 CO 0.04 0.82 -0.51 1.96 -1.07 0.00 0.00 179.97 181.22 2dbf h GLN 79 N 0.08 0.55 0.18 0.04 4.20 -0.94 -3.21 115.11 116.01 2dbf h GLN 79 Ca -0.02 -0.33 -0.30 0.00 0.06 0.00 0.00 58.65 58.06 2dbf h GLN 79 Cb 1.32 0.03 0.02 0.00 0.30 0.00 0.00 27.48 29.15 2dbf h GLN 79 CO 0.11 0.93 -1.36 0.52 -0.67 0.00 0.00 178.83 178.36 2dbf h MET 80 N 0.43 0.38 0.00 1.46 2.86 -1.44 -3.48 114.93 115.15 2dbf h MET 80 Ca 0.02 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 2dbf h MET 80 Cb 1.04 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2dbf h MET 80 CO 0.10 1.31 0.00 0.41 1.06 0.00 0.00 176.91 179.79 2dbf n GLY 81 N 1.62 1.85 3.70 8.32 0.00 -0.45 -4.76 105.19 115.47 2dbf n GLY 81 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 3.50 -0.07 1.61 2.02 0.21 -4.93 117.35 117.68 2dbf s TYR 82 Ca 0.00 0.99 0.02 0.00 -0.37 0.00 0.00 57.07 57.71 2dbf s TYR 82 Cb 0.00 -2.68 -0.05 0.00 -0.40 0.00 0.00 41.96 38.83 2dbf s TYR 82 CO 0.00 0.06 -0.05 2.41 -1.57 0.00 0.00 175.55 176.41 2dbf n THR 83 N 3.96 0.41 0.09 -0.71 -1.04 -1.26 -4.44 114.28 111.29 2dbf n THR 83 Ca -0.04 -0.18 -0.06 0.00 -2.04 0.00 0.00 64.05 61.73 2dbf n THR 83 Cb 0.51 -0.78 0.01 0.00 -1.82 0.00 0.00 70.33 68.25 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 0.09 -0.15 -2.82 5.08 -1.99 -2.84 114.58 111.95 2dbf h GLU 84 Ca -0.16 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 2dbf h GLU 84 Cb 1.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2dbf h GLU 84 CO -0.02 0.88 -0.45 0.00 -1.00 0.00 0.00 179.01 178.42 2dbf h ALA 85 N 1.09 0.96 -0.08 3.43 0.00 -1.97 -2.95 119.26 119.74 2dbf h ALA 85 Ca -0.02 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 2dbf h ALA 85 Cb 1.47 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2dbf h ALA 85 CO 0.12 0.63 -0.87 0.82 0.00 0.00 0.00 179.25 179.96 2dbf h ILE 86 N 0.30 1.31 -0.27 0.00 2.04 -1.77 -3.17 117.51 115.94 2dbf h ILE 86 Ca 0.02 -2.13 -0.01 0.00 1.00 0.00 0.00 64.86 63.74 2dbf h ILE 86 Cb 0.90 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2dbf h ILE 86 CO 0.08 0.66 0.14 -0.33 0.00 0.00 0.00 178.15 178.70 2dbf h GLU 87 N 0.42 0.37 -0.45 2.37 5.08 -1.43 -0.73 114.58 120.21 2dbf h GLU 87 Ca -0.07 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2dbf h GLU 87 Cb 1.49 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 2dbf h GLU 87 CO 0.17 0.28 -0.12 0.28 -1.00 0.00 0.00 179.01 178.62 2dbf h VAL 88 N 0.38 1.26 0.01 3.13 2.07 -1.49 0.93 116.25 122.54 2dbf h VAL 88 Ca 0.10 -1.20 -0.20 0.00 0.82 0.00 0.00 66.70 66.22 2dbf h VAL 88 Cb 0.03 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2dbf h VAL 88 CO -0.02 0.41 -0.92 0.40 0.02 0.00 0.00 177.57 177.47 2dbf h ILE 89 N 0.74 1.59 0.00 4.57 2.04 -1.38 -3.24 117.51 121.82 2dbf h ILE 89 Ca 0.12 -2.93 -0.20 0.00 1.00 0.00 0.00 64.86 62.86 2dbf h ILE 89 Cb 0.62 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 2dbf h ILE 89 CO 0.04 0.84 -0.93 1.56 0.00 0.00 0.00 178.15 179.67 2dbf h GLN 90 N 0.04 0.01 0.78 2.37 4.20 -0.98 -2.86 115.11 118.67 2dbf h GLN 90 Ca -0.03 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2dbf h GLN 90 Cb 1.59 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.38 2dbf h GLN 90 CO 0.13 0.93 -0.42 0.00 -0.67 0.00 0.00 178.83 178.80 2dbf h ALA 91 N 1.07 -1.27 0.64 3.87 0.00 -0.84 -3.33 119.26 119.39 2dbf h ALA 91 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2dbf h ALA 91 Cb 1.63 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.92 2dbf h ALA 91 CO 0.12 -1.21 -0.31 0.00 0.00 0.00 0.00 179.25 177.86 2dbf h ALA 92 N -1.38 -1.05 -0.93 0.00 0.00 -1.69 -3.37 119.26 110.84 2dbf h ALA 92 Ca -0.11 -0.19 -0.42 0.00 0.00 0.00 0.00 54.91 54.20 2dbf h ALA 92 Cb 0.86 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2dbf h ALA 92 CO 0.15 -0.99 1.04 0.45 0.00 0.00 0.00 179.25 179.90 2dbf s SER 93 N -3.77 5.64 0.15 0.00 0.15 -1.08 -4.96 113.70 109.84 2dbf s SER 93 Ca -0.12 -0.85 0.03 0.00 0.70 0.00 0.00 55.95 55.71 2dbf s SER 93 Cb 0.01 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2dbf s SER 93 CO 0.37 -2.27 0.23 -0.44 1.20 0.00 0.00 173.24 172.33 2dbf s SER 94 N 6.85 6.03 -0.14 5.45 0.01 -1.26 -4.57 113.70 126.07 2dbf s SER 94 Ca 0.60 0.06 0.17 0.00 1.31 0.00 0.00 55.95 58.09 2dbf s SER 94 Cb -0.05 -1.74 0.43 0.00 0.21 0.00 0.00 66.02 64.87 2dbf s SER 94 CO -0.02 0.06 1.19 -1.20 0.41 0.00 0.00 173.24 173.69 2dbf n SER 95 N -0.46 1.63 -3.58 2.44 7.64 -1.26 -5.03 113.62 115.00 2dbf n SER 95 Ca -0.07 -3.10 -0.02 0.00 1.01 0.00 0.00 58.87 56.69 2dbf n SER 95 Cb 0.54 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2dbf n SER 95 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbf s GLY 96 N -2.82 -0.23 0.04 0.23 0.00 -1.26 -5.06 107.32 98.22 2dbf s GLY 96 Ca 0.37 2.92 -0.19 0.00 0.00 0.00 0.00 44.72 47.81 2dbf s GLY 96 CO -0.10 2.78 1.27 -0.56 0.00 0.00 0.00 173.10 176.50 2dbf h PRO 97 N 6.80 0.42 -1.64 2.90 0.13 -2.07 -3.45 132.00 135.10 2dbf h PRO 97 Ca -0.24 -0.29 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2dbf h PRO 97 Cb 1.17 0.04 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 2dbf h PRO 97 CO 0.15 0.90 -0.28 -1.12 -0.23 0.00 0.00 178.00 177.42 2dbf s SER 98 N -6.38 -0.90 0.25 1.44 0.01 -1.26 -5.16 113.70 101.69 2dbf s SER 98 Ca -0.14 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2dbf s SER 98 Cb 0.05 1.93 -0.04 0.00 0.21 0.00 0.00 66.02 68.17 2dbf s SER 98 CO 0.78 -0.25 0.43 -0.44 0.41 0.00 0.00 173.24 174.17 2dbf s SER 99 N 2.79 6.35 0.00 2.44 0.01 -1.26 -5.27 113.70 118.76 2dbf s SER 99 Ca 0.09 0.37 0.30 0.00 1.31 0.00 0.00 55.95 58.02 2dbf s SER 99 Cb -0.14 -1.99 1.81 0.00 0.21 0.00 0.00 66.02 65.91 2dbf s SER 99 CO -0.18 -0.12 2.14 0.61 0.41 0.00 0.00 173.24 176.10