#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 5.50 0.51 1.61 0.15 -1.26 -4.55 113.70 115.66 2dbf s SER 2 Ca 0.00 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2dbf s SER 2 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dbf s SER 2 CO 0.00 -1.93 0.00 -1.20 1.20 0.00 0.00 173.24 171.31 2dbf n SER 3 N 11.53 -8.10 0.00 5.45 7.64 -1.26 -4.98 113.62 123.89 2dbf n SER 3 Ca 0.29 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.45 2dbf n SER 3 Cb 0.45 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 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 -1.22 0.69 3.55 0.23 0.00 -1.26 -5.07 105.19 102.12 2dbf n GLY 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2dbf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbf s SER 5 N -1.30 -0.71 0.31 1.61 1.04 -1.26 -4.96 113.70 108.43 2dbf s SER 5 Ca 0.00 1.04 0.06 0.00 0.48 0.00 0.00 55.95 57.53 2dbf s SER 5 Cb 0.00 1.60 0.53 0.00 0.10 0.00 0.00 66.02 68.25 2dbf s SER 5 CO 0.00 -0.15 1.77 0.28 0.98 0.00 0.00 173.24 176.11 2dbf h SER 6 N 7.08 0.32 -4.42 7.02 0.02 -1.95 -3.44 113.55 118.18 2dbf h SER 6 Ca -0.22 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2dbf h SER 6 Cb 1.15 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2dbf h SER 6 CO 0.13 0.60 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 2dbf n GLY 7 N -0.44 3.86 2.61 -3.77 0.00 -1.26 -4.04 105.19 102.15 2dbf n GLY 7 Ca -0.01 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 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 2.49 -0.03 1.61 9.92 0.28 -4.81 116.55 126.02 2dbf n ASP 8 Ca 0.00 -2.58 -0.01 0.00 -0.53 0.00 0.00 54.79 51.67 2dbf n ASP 8 Cb 0.00 -0.45 -0.13 0.00 -0.64 0.00 0.00 41.12 39.90 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 -0.56 0.65 0.05 -1.24 2.81 -1.20 -4.04 117.12 113.59 2dbf n MET 9 Ca 0.17 0.05 0.18 0.00 -1.81 0.00 0.00 57.70 56.29 2dbf n MET 9 Cb 0.84 -1.64 0.69 0.00 -0.71 0.00 0.00 33.22 32.39 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 0.00 -0.27 0.03 6.56 -1.90 0.34 116.57 121.33 2dbf h LYS 10 Ca -0.27 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.29 2dbf h LYS 10 Cb 1.71 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.35 2dbf h LYS 10 CO 0.03 0.00 0.03 -0.56 -2.06 0.00 0.00 179.45 176.89 2dbf h GLN 11 N 0.00 0.39 -7.01 3.15 3.07 -1.96 -3.43 115.11 109.32 2dbf h GLN 11 Ca 0.20 -0.06 -0.53 0.00 0.09 0.00 0.00 58.65 58.35 2dbf h GLN 11 Cb 0.81 -0.07 0.10 0.00 0.08 0.00 0.00 27.48 28.40 2dbf h GLN 11 CO -0.00 0.40 0.56 -0.51 0.09 0.00 0.00 178.83 179.37 2dbf s LEU 12 N -9.08 3.97 0.44 0.06 1.43 0.11 -5.01 118.68 110.61 2dbf s LEU 12 Ca -0.07 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.45 2dbf s LEU 12 Cb 0.16 -4.21 -0.07 0.00 0.03 0.00 0.00 46.19 42.10 2dbf s LEU 12 CO 0.74 -1.19 0.85 0.00 0.23 0.00 0.00 176.35 176.98 2dbf s ALA 13 N -1.40 3.24 0.27 4.21 0.00 -1.26 -4.97 121.76 121.84 2dbf s ALA 13 Ca 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 2dbf s ALA 13 Cb -0.35 -2.86 0.34 0.00 0.00 0.00 0.00 23.12 20.25 2dbf s ALA 13 CO 0.42 -0.07 1.87 1.49 0.00 0.00 0.00 175.76 179.47 2dbf h GLU 14 N 1.19 1.06 -0.04 0.00 4.81 -1.95 -2.02 114.58 117.63 2dbf h GLU 14 Ca -0.47 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 58.51 2dbf h GLU 14 Cb 1.19 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2dbf h GLU 14 CO 0.63 0.81 -0.46 -0.44 -0.73 0.00 0.00 179.01 178.82 2dbf h ASP 15 N 1.05 0.10 -0.14 1.04 5.19 -1.99 -1.05 116.42 120.63 2dbf h ASP 15 Ca 0.26 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 2dbf h ASP 15 Cb 0.09 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 2dbf h ASP 15 CO -0.03 0.55 -0.08 0.58 -3.12 0.00 0.00 179.24 177.13 2dbf h VAL 16 N 0.08 1.32 -0.01 -1.35 2.07 -1.74 -2.94 116.25 113.68 2dbf h VAL 16 Ca 0.00 -1.14 -0.13 0.00 0.82 0.00 0.00 66.70 66.25 2dbf h VAL 16 Cb 0.85 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2dbf h VAL 16 CO 0.06 0.33 -0.59 0.11 0.02 0.00 0.00 177.57 177.50 2dbf h LYS 17 N -0.04 0.03 -0.72 1.57 1.57 -1.36 -3.14 116.57 114.49 2dbf h LYS 17 Ca 0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2dbf h LYS 17 Cb 0.56 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 2dbf h LYS 17 CO 0.02 0.62 0.48 -0.07 -0.57 0.00 0.00 179.45 179.93 2dbf h LEU 18 N 0.02 0.82 -1.18 2.94 3.38 -1.14 -2.08 115.31 118.08 2dbf h LEU 18 Ca -0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2dbf h LEU 18 Cb 1.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2dbf h LEU 18 CO 0.08 0.59 -0.14 1.56 0.09 0.00 0.00 178.44 180.62 2dbf h GLN 19 N 0.97 0.40 -0.10 1.13 4.20 -1.47 -2.46 115.11 117.78 2dbf h GLN 19 Ca 0.27 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.87 2dbf h GLN 19 Cb -0.10 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2dbf h GLN 19 CO -0.06 0.54 0.06 -0.07 -0.67 0.00 0.00 178.83 178.64 2dbf h LEU 20 N 0.37 0.08 -1.17 1.46 3.38 -1.36 -0.95 115.31 117.11 2dbf h LEU 20 Ca 0.07 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2dbf h LEU 20 Cb 0.48 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dbf h LEU 20 CO 0.03 0.05 -0.34 1.88 0.09 0.00 0.00 178.44 180.15 2dbf h TYR 21 N 0.09 0.14 -0.04 1.13 0.05 -1.32 -1.68 116.97 115.33 2dbf h TYR 21 Ca 0.04 -0.03 -0.25 0.00 0.05 0.00 0.00 58.73 58.54 2dbf h TYR 21 Cb 0.05 -0.03 0.02 0.00 1.01 0.00 0.00 36.73 37.77 2dbf h TYR 21 CO -0.00 0.45 -0.96 0.87 -1.05 0.00 0.00 178.16 177.47 2dbf h LYS 22 N 0.11 0.69 0.44 4.88 1.57 -1.25 -2.39 116.57 120.62 2dbf h LYS 22 Ca 0.01 -0.69 -0.02 0.00 -1.87 0.00 0.00 60.65 58.08 2dbf h LYS 22 Cb 0.66 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2dbf h LYS 22 CO 0.05 1.28 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.93 2dbf h LEU 23 N 0.41 -0.50 -2.14 2.94 3.38 -1.30 -3.10 115.31 115.00 2dbf h LEU 23 Ca -0.10 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2dbf h LEU 23 Cb 1.60 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 2dbf h LEU 23 CO 0.19 -0.11 0.07 -0.07 0.09 0.00 0.00 178.44 178.61 2dbf h LEU 24 N -0.96 0.00 -2.27 1.67 3.38 -1.44 -1.04 115.31 114.65 2dbf h LEU 24 Ca -0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2dbf h LEU 24 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2dbf h LEU 24 CO 0.10 0.00 0.17 -0.33 0.09 0.00 0.00 178.44 178.47 2dbf h GLU 25 N 0.00 0.00 -6.12 1.13 5.08 -1.34 -1.37 114.58 111.96 2dbf h GLU 25 Ca 0.04 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.83 2dbf h GLU 25 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2dbf h GLU 25 CO -0.00 0.00 1.40 0.42 -1.00 0.00 0.00 179.01 179.83 2dbf s ILE 26 N -4.62 3.03 -0.90 3.13 1.01 -0.39 -4.84 121.20 117.61 2dbf s ILE 26 Ca -0.05 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 2dbf s ILE 26 Cb 0.15 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 2dbf s ILE 26 CO 0.54 -0.01 2.08 -0.81 0.00 0.00 0.00 174.94 176.74 2dbf n PRO 27 N 8.33 1.99 -4.15 2.79 -0.04 -1.26 -3.37 135.00 139.28 2dbf n PRO 27 Ca 0.26 -1.57 -0.22 0.00 -0.04 0.00 0.00 63.50 61.93 2dbf n PRO 27 Cb 0.44 -2.57 -0.05 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.74 5.12 0.32 3.54 1.01 -1.26 -4.98 116.67 124.16 2dbf s ASP 28 Ca 0.44 -0.44 0.10 0.00 0.71 0.00 0.00 52.55 53.36 2dbf s ASP 28 Cb 0.11 -1.14 0.52 0.00 1.01 0.00 0.00 42.92 43.43 2dbf s ASP 28 CO -0.00 -0.07 1.72 1.55 0.21 0.00 0.00 175.17 178.58 2dbf h PRO 29 N 1.61 0.06 -0.10 8.23 0.13 -1.98 -3.07 132.00 136.87 2dbf h PRO 29 Ca -0.46 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2dbf h PRO 29 Cb 1.24 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 2dbf h PRO 29 CO 0.61 0.52 -0.76 -0.25 -0.23 0.00 0.00 178.00 177.89 2dbf n ASP 30 N -3.97 1.78 -1.16 1.44 9.92 -1.26 -4.72 116.55 118.57 2dbf n ASP 30 Ca -0.02 -3.12 -0.06 0.00 -0.53 0.00 0.00 54.79 51.07 2dbf n ASP 30 Cb 0.50 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.50 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 -0.49 0.09 -4.35 -1.24 5.02 -1.22 -4.60 118.16 111.36 2dbf n LYS 31 Ca 0.16 -1.13 -0.24 0.00 -2.02 0.00 0.00 58.31 55.08 2dbf n LYS 31 Cb 0.88 0.43 -0.08 0.00 -0.02 0.00 0.00 35.03 36.24 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 -1.13 4.18 0.41 4.39 3.04 -1.16 -4.08 114.94 120.58 2dbf s ASN 32 Ca 0.04 -0.76 0.08 0.00 0.04 0.00 0.00 52.86 52.25 2dbf s ASN 32 Cb 0.07 -0.64 0.84 0.00 -1.54 0.00 0.00 41.25 39.98 2dbf s ASN 32 CO -0.03 0.03 2.02 4.11 -3.04 0.00 0.00 177.10 180.20 2dbf h TRP 33 N 2.18 0.45 -0.21 0.43 5.08 -1.49 -2.56 115.95 119.83 2dbf h TRP 33 Ca -0.43 -0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.53 2dbf h TRP 33 Cb 1.25 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 2dbf h TRP 33 CO 0.72 0.34 0.12 0.00 -1.28 0.00 0.00 178.44 178.34 2dbf h ALA 34 N 1.72 0.26 -0.90 0.11 0.00 -1.94 0.05 119.26 118.56 2dbf h ALA 34 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dbf h ALA 34 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2dbf h ALA 34 CO -0.02 -0.22 0.53 1.15 0.00 0.00 0.00 179.25 180.69 2dbf h THR 35 N 0.25 1.25 0.00 0.00 2.02 -1.79 -2.04 112.91 112.59 2dbf h THR 35 Ca 0.07 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 2dbf h THR 35 Cb 0.03 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 2dbf h THR 35 CO -0.01 0.27 -0.46 0.25 0.37 0.00 0.00 175.52 175.93 2dbf h LEU 36 N 1.24 0.00 -0.74 2.58 5.85 -1.19 -3.05 115.31 119.99 2dbf h LEU 36 Ca 0.32 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.08 2dbf h LEU 36 Cb -0.04 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2dbf h LEU 36 CO -0.06 0.46 0.46 0.00 -0.34 0.00 0.00 178.44 178.96 2dbf h ALA 37 N 1.54 0.99 -0.56 1.25 0.00 -0.23 0.19 119.26 122.44 2dbf h ALA 37 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2dbf h ALA 37 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2dbf h ALA 37 CO 0.06 0.22 -0.05 1.96 0.00 0.00 0.00 179.25 181.43 2dbf h GLN 38 N 0.87 1.01 -0.32 0.00 4.20 -1.46 0.60 115.11 120.00 2dbf h GLN 38 Ca 0.31 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 2dbf h GLN 38 Cb 0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2dbf h GLN 38 CO -0.14 1.02 -0.18 0.87 -0.67 0.00 0.00 178.83 179.73 2dbf h LYS 39 N 0.91 0.69 -0.23 1.46 6.56 -1.37 -3.10 116.57 121.49 2dbf h LYS 39 Ca 0.15 -0.31 -0.12 0.00 -1.06 0.00 0.00 60.65 59.31 2dbf h LYS 39 Cb 0.60 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 2dbf h LYS 39 CO 0.04 0.91 -0.36 -0.07 -2.06 0.00 0.00 179.45 177.92 2dbf h LEU 40 N 0.45 0.52 0.00 2.94 3.38 -0.55 -3.47 115.31 118.58 2dbf h LEU 40 Ca 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2dbf h LEU 40 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dbf h LEU 40 CO 0.05 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2dbf n GLY 41 N -0.15 1.87 1.04 0.83 0.00 0.03 -5.03 105.19 103.77 2dbf n GLY 41 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 2.22 0.19 0.99 4.77 0.19 -4.79 117.00 120.57 2dbf n LEU 42 Ca 0.00 -3.29 0.04 0.00 -0.03 0.00 0.00 56.01 52.73 2dbf n LEU 42 Cb 0.00 -0.32 0.36 0.00 -2.33 0.00 0.00 43.42 41.14 2dbf n LEU 42 CO 0.00 1.13 0.70 1.23 -1.33 0.00 0.00 177.39 179.12 2dbf h GLY 43 N 1.11 0.00 2.00 -0.72 0.00 -1.83 -2.77 103.07 100.86 2dbf h GLY 43 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2dbf h GLY 43 CO 0.08 0.00 -0.14 1.19 0.00 0.00 0.00 176.54 177.67 2dbf h ILE 44 N 0.00 0.72 -0.71 2.60 2.10 -1.91 -2.51 117.51 117.79 2dbf h ILE 44 Ca -0.00 -0.56 -0.47 0.00 1.08 0.00 0.00 64.86 64.90 2dbf h ILE 44 Cb 0.77 1.34 -0.29 0.00 -1.09 0.00 0.00 36.82 37.56 2dbf h ILE 44 CO 0.05 0.14 -0.03 0.18 -1.08 0.00 0.00 178.15 177.41 2dbf n LEU 45 N -3.82 5.59 0.09 2.19 4.77 -1.05 -4.63 117.00 120.15 2dbf n LEU 45 Ca -0.02 -4.27 -0.06 0.00 -0.03 0.00 0.00 56.01 51.63 2dbf n LEU 45 Cb 0.24 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2dbf n LEU 45 CO 0.32 1.62 0.34 0.78 -1.33 0.00 0.00 177.39 179.11 2dbf h ASN 46 N 1.70 0.16 0.48 -1.43 2.35 -1.47 -3.10 115.58 114.28 2dbf h ASN 46 Ca 0.41 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 2dbf h ASN 46 Cb 1.44 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.75 2dbf h ASN 46 CO 0.91 0.88 -0.51 -0.55 -1.65 0.00 0.00 177.43 176.50 2dbf h ASN 47 N 0.08 0.04 0.54 5.81 -1.07 -1.83 -2.60 115.58 116.55 2dbf h ASN 47 Ca -0.02 -0.02 -0.15 0.00 0.07 0.00 0.00 56.30 56.18 2dbf h ASN 47 Cb 1.37 -0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 37.59 2dbf h ASN 47 CO 0.11 0.55 -0.66 0.00 0.07 0.00 0.00 177.43 177.50 2dbf h ALA 48 N 1.45 0.85 -0.07 4.14 0.00 -1.89 -2.78 119.26 120.96 2dbf h ALA 48 Ca -0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 2dbf h ALA 48 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2dbf h ALA 48 CO 0.07 0.80 -0.36 0.74 0.00 0.00 0.00 179.25 180.50 2dbf h PHE 49 N 0.08 0.49 -0.86 0.00 0.04 -1.45 -3.04 116.94 112.19 2dbf h PHE 49 Ca -0.01 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.55 2dbf h PHE 49 Cb 1.18 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 2dbf h PHE 49 CO 0.01 0.97 0.57 -0.09 -0.60 0.00 0.00 178.31 179.17 2dbf h ARG 50 N -0.12 1.13 -0.17 1.51 2.43 -1.50 -1.69 114.38 115.96 2dbf h ARG 50 Ca -0.02 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2dbf h ARG 50 Cb 1.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2dbf h ARG 50 CO 0.07 0.75 0.04 -0.07 -1.51 0.00 0.00 179.97 179.25 2dbf h LEU 51 N 1.16 0.21-10.34 3.80 3.38 -1.54 -3.43 115.31 108.56 2dbf h LEU 51 Ca 0.32 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.77 2dbf h LEU 51 Cb -0.12 -0.05 0.12 0.00 0.09 0.00 0.00 40.66 40.70 2dbf h LEU 51 CO -0.07 0.23 0.33 -0.44 0.09 0.00 0.00 178.44 178.57 2dbf s SER 52 N -6.89 4.67 0.41 -0.43 0.01 -0.64 -4.95 113.70 105.88 2dbf s SER 52 Ca -0.06 1.65 0.17 0.00 1.31 0.00 0.00 55.95 59.02 2dbf s SER 52 Cb 0.17 -2.41 0.90 0.00 0.21 0.00 0.00 66.02 64.88 2dbf s SER 52 CO 0.71 -1.90 1.88 1.55 0.41 0.00 0.00 173.24 175.89 2dbf h PRO 53 N -1.04 0.00 -2.60 12.44 0.13 -1.84 -3.36 132.00 135.74 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 1.23 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 2dbf h PRO 53 CO 0.54 0.30 -0.86 0.00 -0.23 0.00 0.00 178.00 177.75 2dbf s ALA 54 N -4.16 1.59 0.22 -0.56 0.00 -1.26 -5.00 121.76 112.59 2dbf s ALA 54 Ca -0.03 -2.42 -0.08 0.00 0.00 0.00 0.00 51.96 49.43 2dbf s ALA 54 Cb 0.14 -1.70 0.35 0.00 0.00 0.00 0.00 23.12 21.91 2dbf s ALA 54 CO 0.69 -2.04 1.70 -1.35 0.00 0.00 0.00 175.76 174.76 2dbf h PRO 55 N 6.21 0.27 -0.14 0.00 0.11 -1.71 0.11 132.00 136.83 2dbf h PRO 55 Ca 0.15 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2dbf h PRO 55 Cb 0.92 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2dbf h PRO 55 CO 0.39 0.18 0.07 0.77 -0.21 0.00 0.00 178.00 179.20 2dbf h SER 56 N 0.27 0.17 0.01 -2.05 0.02 -1.91 -0.17 113.55 109.89 2dbf h SER 56 Ca 0.35 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.04 2dbf h SER 56 Cb 0.54 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.06 2dbf h SER 56 CO -0.44 0.14 -0.96 0.50 -1.14 0.00 0.00 176.83 174.94 2dbf h LYS 57 N 0.20 0.69 -0.07 3.45 3.64 -1.21 -3.21 116.57 120.05 2dbf h LYS 57 Ca 0.05 -0.68 -0.12 0.00 -1.27 0.00 0.00 60.65 58.63 2dbf h LYS 57 Cb 0.01 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2dbf h LYS 57 CO -0.01 1.27 -0.50 1.15 -2.27 0.00 0.00 179.45 179.10 2dbf h THR 58 N 0.41 1.35 -0.89 1.00 2.02 -0.50 -2.73 112.91 113.58 2dbf h THR 58 Ca -0.10 -1.72 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 2dbf h THR 58 Cb 1.60 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.81 2dbf h THR 58 CO 0.19 0.51 0.53 0.25 0.37 0.00 0.00 175.52 177.36 2dbf h LEU 59 N 0.15 1.08 -0.39 2.58 5.85 -1.07 -0.64 115.31 122.87 2dbf h LEU 59 Ca 0.01 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 2dbf h LEU 59 Cb 0.93 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2dbf h LEU 59 CO 0.07 0.83 -0.79 0.24 -0.34 0.00 0.00 178.44 178.45 2dbf h MET 60 N 1.23 0.21 -0.06 1.25 2.86 -1.53 -1.87 114.93 117.02 2dbf h MET 60 Ca 0.32 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 2dbf h MET 60 Cb -0.04 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2dbf h MET 60 CO -0.06 0.90 -0.50 -0.44 1.06 0.00 0.00 176.91 177.87 2dbf h ASP 61 N 0.13 0.15 0.76 1.22 5.19 -1.11 -1.63 116.42 121.13 2dbf h ASP 61 Ca -0.03 -0.07 -0.25 0.00 -0.62 0.00 0.00 57.03 56.05 2dbf h ASP 61 Cb 1.38 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.83 2dbf h ASP 61 CO 0.12 0.63 -1.25 0.78 -3.12 0.00 0.00 179.24 176.40 2dbf h ASN 62 N 0.11 0.13 0.32 6.45 -0.26 -1.09 -3.11 115.58 118.14 2dbf h ASN 62 Ca 0.00 -0.17 -0.17 0.00 -0.56 0.00 0.00 56.30 55.41 2dbf h ASN 62 Cb 0.92 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 2dbf h ASN 62 CO 0.07 1.14 -0.69 0.22 -1.06 0.00 0.00 177.43 177.11 2dbf h TYR 63 N 0.02 0.43 -0.18 1.19 3.20 -1.23 -1.59 116.97 118.82 2dbf h TYR 63 Ca -0.12 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.50 2dbf h TYR 63 Cb 1.89 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 40.08 2dbf h TYR 63 CO 0.02 0.91 -0.17 1.49 -1.64 0.00 0.00 178.16 178.77 2dbf h GLU 64 N 0.23 0.43 0.00 1.82 4.81 -1.39 0.16 114.58 120.64 2dbf h GLU 64 Ca -0.02 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 2dbf h GLU 64 Cb 1.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2dbf h GLU 64 CO 0.11 0.79 -0.29 0.28 -0.73 0.00 0.00 179.01 179.17 2dbf h VAL 65 N 0.09 0.70 -0.89 0.32 2.07 -1.57 -3.00 116.25 113.97 2dbf h VAL 65 Ca 0.03 -1.31 -0.52 0.00 0.82 0.00 0.00 66.70 65.72 2dbf h VAL 65 Cb 0.71 1.85 -0.27 0.00 -1.52 0.00 0.00 31.29 32.06 2dbf h VAL 65 CO 0.04 0.29 0.67 -0.24 0.02 0.00 0.00 177.57 178.35 2dbf n SER 66 N -3.46 5.29 -2.87 0.57 2.88 -0.60 -4.93 113.62 110.51 2dbf n SER 66 Ca 0.00 -3.52 -0.09 0.00 -1.33 0.00 0.00 58.87 53.93 2dbf n SER 66 Cb 0.47 -0.89 0.01 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.83 -1.38 3.94 0.46 0.00 -1.13 -4.94 105.19 101.30 2dbf n GLY 67 Ca 0.54 1.23 -0.27 0.00 0.00 0.00 0.00 46.02 47.53 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 -2.53 1.77 0.37 -0.02 0.00 0.55 -4.77 107.32 102.69 2dbf s GLY 68 Ca 0.25 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 44.04 2dbf s GLY 68 CO 0.77 -0.96 0.16 -0.51 0.00 0.00 0.00 173.10 172.56 2dbf s THR 69 N -1.74 0.45 -0.16 0.90 -4.23 -1.26 0.10 115.64 109.69 2dbf s THR 69 Ca 0.35 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.96 2dbf s THR 69 Cb -0.11 -2.43 -0.23 0.00 1.34 0.00 0.00 72.50 71.07 2dbf s THR 69 CO 0.29 0.00 0.19 0.52 -0.54 0.00 0.00 174.62 175.07 2dbf n VAL 70 N -0.78 1.52 0.04 2.29 0.31 -1.26 -3.75 118.33 116.71 2dbf n VAL 70 Ca -0.02 -0.76 0.07 0.00 -0.01 0.00 0.00 64.34 63.62 2dbf n VAL 70 Cb 0.64 -0.97 0.49 0.00 -0.91 0.00 0.00 33.84 33.10 2dbf n VAL 70 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2dbf h ARG 71 N 0.01 0.38 0.09 5.55 3.08 -1.97 0.40 114.38 121.92 2dbf h ARG 71 Ca -0.48 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.28 2dbf h ARG 71 Cb 2.09 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 2dbf h ARG 71 CO 0.02 0.25 -1.26 0.93 -1.07 0.00 0.00 179.97 178.84 2dbf h GLU 72 N 0.39 0.20 -0.33 0.04 5.08 -2.00 -2.96 114.58 115.01 2dbf h GLU 72 Ca 0.14 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 2dbf h GLU 72 Cb 0.09 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2dbf h GLU 72 CO -0.03 1.13 -0.22 1.25 -1.00 0.00 0.00 179.01 180.13 2dbf h LEU 73 N 0.05 0.77 -0.85 1.33 5.85 -1.43 0.14 115.31 121.16 2dbf h LEU 73 Ca -0.13 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.05 2dbf h LEU 73 Cb 1.94 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2dbf h LEU 73 CO 0.18 1.04 -0.27 0.58 -0.34 0.00 0.00 178.44 179.63 2dbf h VAL 74 N 0.50 1.27 0.02 1.05 2.07 -1.06 -2.21 116.25 117.90 2dbf h VAL 74 Ca 0.07 -1.32 -0.18 0.00 0.82 0.00 0.00 66.70 66.08 2dbf h VAL 74 Cb 0.77 1.35 0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2dbf h VAL 74 CO 0.06 0.42 -0.73 -0.33 0.02 0.00 0.00 177.57 177.01 2dbf h GLU 75 N 0.48 0.46 -0.53 1.57 5.08 -1.44 -2.71 114.58 117.49 2dbf h GLU 75 Ca 0.07 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2dbf h GLU 75 Cb 0.71 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2dbf h GLU 75 CO 0.05 1.17 0.35 0.00 -1.00 0.00 0.00 179.01 179.59 2dbf h ALA 76 N 0.31 1.65 -0.00 3.43 0.00 -0.68 -0.02 119.26 123.95 2dbf h ALA 76 Ca -0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 2dbf h ALA 76 Cb 1.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2dbf h ALA 76 CO 0.14 0.31 -0.82 -0.07 0.00 0.00 0.00 179.25 178.81 2dbf h LEU 77 N 0.69 0.14 -0.32 0.00 3.38 -1.44 -2.94 115.31 114.82 2dbf h LEU 77 Ca 0.20 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 2dbf h LEU 77 Cb -0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2dbf h LEU 77 CO -0.05 0.90 -0.77 -0.09 0.09 0.00 0.00 178.44 178.52 2dbf h ARG 78 N 0.06 0.47 -0.14 1.13 2.43 -0.97 0.67 114.38 118.04 2dbf h ARG 78 Ca -0.03 -0.41 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 2dbf h ARG 78 Cb 1.43 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 2dbf h ARG 78 CO 0.12 1.04 -0.37 1.96 -1.51 0.00 0.00 179.97 181.21 2dbf h GLN 79 N 0.32 0.30 0.05 0.20 4.20 -1.05 -2.98 115.11 116.15 2dbf h GLN 79 Ca -0.04 -0.13 -0.24 0.00 0.06 0.00 0.00 58.65 58.30 2dbf h GLN 79 Cb 1.37 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 2dbf h GLN 79 CO 0.14 0.63 -1.12 0.52 -0.67 0.00 0.00 178.83 178.33 2dbf h MET 80 N 0.25 0.11 0.00 1.46 2.86 -1.48 -3.48 114.93 114.65 2dbf h MET 80 Ca 0.03 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2dbf h MET 80 Cb 0.77 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2dbf h MET 80 CO 0.06 1.08 0.00 0.41 1.06 0.00 0.00 176.91 179.52 2dbf n GLY 81 N 1.43 1.91 3.72 8.32 0.00 -0.67 -4.84 105.19 115.07 2dbf n GLY 81 Ca -0.04 0.00 -0.38 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 -2.00 3.50 -0.05 1.61 2.02 0.23 -4.94 117.35 117.71 2dbf s TYR 82 Ca 0.00 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 2dbf s TYR 82 Cb 0.00 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 2dbf s TYR 82 CO 0.00 0.18 -0.05 2.41 -1.57 0.00 0.00 175.55 176.53 2dbf n THR 83 N 3.65 0.29 0.00 -0.71 -1.04 -1.26 -4.34 114.28 110.87 2dbf n THR 83 Ca -0.08 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 61.78 2dbf n THR 83 Cb 0.52 -0.75 0.18 0.00 -1.82 0.00 0.00 70.33 68.46 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 -0.02 0.52 -0.26 -2.82 5.08 -1.99 -0.83 114.58 114.27 2dbf h GLU 84 Ca -0.11 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 2dbf h GLU 84 Cb 1.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2dbf h GLU 84 CO -0.02 0.73 -0.25 0.00 -1.00 0.00 0.00 179.01 178.47 2dbf h ALA 85 N 1.27 0.38 -0.03 3.43 0.00 -1.97 -2.82 119.26 119.51 2dbf h ALA 85 Ca 0.06 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2dbf h ALA 85 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2dbf h ALA 85 CO 0.05 0.36 -0.53 0.82 0.00 0.00 0.00 179.25 179.95 2dbf h ILE 86 N 0.35 1.37 -0.06 0.00 2.04 -1.74 -2.92 117.51 116.55 2dbf h ILE 86 Ca 0.04 -1.82 -0.08 0.00 1.00 0.00 0.00 64.86 64.01 2dbf h ILE 86 Cb 0.81 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2dbf h ILE 86 CO 0.06 0.53 -0.32 -0.33 0.00 0.00 0.00 178.15 178.09 2dbf h GLU 87 N 0.07 0.11 -0.17 2.37 5.08 -1.08 -2.20 114.58 118.75 2dbf h GLU 87 Ca -0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 2dbf h GLU 87 Cb 0.96 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2dbf h GLU 87 CO 0.07 0.43 -0.46 0.28 -1.00 0.00 0.00 179.01 178.33 2dbf h VAL 88 N 0.10 1.32 -0.05 3.13 2.07 -1.30 -0.17 116.25 121.35 2dbf h VAL 88 Ca 0.01 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 2dbf h VAL 88 Cb 0.62 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2dbf h VAL 88 CO 0.05 0.51 -0.18 0.40 0.02 0.00 0.00 177.57 178.36 2dbf h ILE 89 N 0.35 1.46 0.00 4.57 2.04 -1.47 -3.23 117.51 121.23 2dbf h ILE 89 Ca 0.02 -1.62 -0.09 0.00 1.00 0.00 0.00 64.86 64.17 2dbf h ILE 89 Cb 0.94 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 2dbf h ILE 89 CO 0.08 0.45 -0.44 1.56 0.00 0.00 0.00 178.15 179.80 2dbf h GLN 90 N -0.34 0.00 -0.22 2.37 4.20 -1.43 -2.30 115.11 117.40 2dbf h GLN 90 Ca -0.01 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2dbf h GLN 90 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2dbf h GLN 90 CO 0.04 0.44 0.15 0.00 -0.67 0.00 0.00 178.83 178.79 2dbf h ALA 91 N 1.56 2.06 0.00 3.87 0.00 -1.04 -3.03 119.26 122.67 2dbf h ALA 91 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2dbf h ALA 91 Cb 0.79 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dbf h ALA 91 CO 0.06 -0.10 -1.26 0.00 0.00 0.00 0.00 179.25 177.94 2dbf h ALA 92 N 1.88 0.27 -2.27 0.00 0.00 -1.53 -3.44 119.26 114.17 2dbf h ALA 92 Ca 0.10 -1.21 -0.70 0.00 0.00 0.00 0.00 54.91 53.10 2dbf h ALA 92 Cb 0.24 0.74 -0.19 0.00 0.00 0.00 0.00 17.79 18.58 2dbf h ALA 92 CO -0.01 0.71 -0.15 -1.54 0.00 0.00 0.00 179.25 178.25 2dbf s SER 93 N -6.85 6.19 -0.25 0.00 1.04 -0.89 -5.02 113.70 107.92 2dbf s SER 93 Ca -0.29 -0.89 -0.29 0.00 0.48 0.00 0.00 55.95 54.96 2dbf s SER 93 Cb 0.06 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.91 2dbf s SER 93 CO 0.59 -0.69 1.81 -0.44 0.98 0.00 0.00 173.24 175.49 2dbf s SER 94 N 2.26 6.03 -0.09 7.02 0.01 -1.25 -4.28 113.70 123.40 2dbf s SER 94 Ca 0.11 1.60 -0.07 0.00 1.31 0.00 0.00 55.95 58.90 2dbf s SER 94 Cb -0.19 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.54 2dbf s SER 94 CO 0.12 -1.55 0.13 -1.20 0.41 0.00 0.00 173.24 171.15 2dbf n SER 95 N 9.67 -4.74 0.20 2.44 7.64 -1.26 -4.95 113.62 122.61 2dbf n SER 95 Ca 0.22 1.59 -0.08 0.00 1.01 0.00 0.00 58.87 61.62 2dbf n SER 95 Cb 0.46 -5.23 -0.04 0.00 -1.01 0.00 0.00 64.21 58.39 2dbf n SER 95 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2dbf h GLY 96 N 4.16 -0.53 -7.35 0.23 0.00 -1.95 -3.39 103.07 94.23 2dbf h GLY 96 Ca -0.30 0.20 -0.40 0.00 0.00 0.00 0.00 47.33 46.83 2dbf h GLY 96 CO 0.01 -0.19 1.05 2.56 0.00 0.00 0.00 176.54 179.96 2dbf s PRO 97 N -3.73 2.61 0.11 4.80 0.04 -1.26 -4.92 135.00 132.64 2dbf s PRO 97 Ca -0.07 0.14 -0.05 0.00 0.04 0.00 0.00 61.00 61.06 2dbf s PRO 97 Cb 0.01 -4.73 -0.02 0.00 0.04 0.00 0.00 34.50 29.79 2dbf s PRO 97 CO 0.22 -3.04 0.12 0.45 0.04 0.00 0.00 177.00 174.79 2dbf s SER 98 N 8.00 0.24 0.24 6.66 0.15 -1.26 -5.09 113.70 122.65 2dbf s SER 98 Ca 0.68 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2dbf s SER 98 Cb -0.09 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2dbf s SER 98 CO 0.10 -0.74 0.00 -1.20 1.20 0.00 0.00 173.24 172.60 2dbf n SER 99 N -0.07 0.01 0.00 5.45 7.64 -1.26 -5.23 113.62 120.16 2dbf n SER 99 Ca -0.10 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2dbf n SER 99 Cb 0.63 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64