#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 2.80 -1.45 1.61 7.64 -1.26 -5.07 113.62 117.89 2dbf n SER 2 Ca 0.00 -2.69 0.07 0.00 1.01 0.00 0.00 58.87 57.26 2dbf n SER 2 Cb 0.00 0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.55 -7.86 0.00 6.43 7.64 -1.26 -5.07 113.62 111.95 2dbf n SER 3 Ca -0.10 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.42 2dbf n SER 3 Cb 0.52 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 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 -3.31 0.74 3.66 0.23 0.00 -1.26 -5.17 105.19 100.08 2dbf n GLY 4 Ca -0.04 0.55 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 2dbf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbf s SER 5 N 0.00 5.04 0.41 1.61 0.15 -1.26 -5.02 113.70 114.63 2dbf s SER 5 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dbf s SER 5 Cb 0.00 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2dbf s SER 5 CO 0.00 0.32 0.00 -1.54 1.20 0.00 0.00 173.24 173.22 2dbf n SER 6 N 1.71 -7.67 -0.01 5.45 3.41 -1.26 -5.04 113.62 110.20 2dbf n SER 6 Ca -0.16 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 2dbf n SER 6 Cb 0.53 -3.48 0.00 0.00 -0.26 0.00 0.00 64.21 61.00 2dbf n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbf n GLY 7 N -3.38 3.46 2.70 5.00 0.00 -1.26 -4.66 105.19 107.06 2dbf n GLY 7 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.01 -1.91 -0.02 1.61 8.00 -0.35 -4.93 116.55 118.92 2dbf n ASP 8 Ca 0.00 -2.95 0.02 0.00 0.71 0.00 0.00 54.79 52.57 2dbf n ASP 8 Cb 0.00 1.58 -0.14 0.00 -0.02 0.00 0.00 41.12 42.54 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 0.27 0.66 -0.01 -1.24 2.81 -1.20 -4.04 117.12 114.37 2dbf n MET 9 Ca 0.00 -0.02 0.16 0.00 -1.81 0.00 0.00 57.70 56.04 2dbf n MET 9 Cb 0.73 -1.61 0.62 0.00 -0.71 0.00 0.00 33.22 32.26 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 0.13 -0.34 0.03 3.64 -1.93 0.08 116.57 118.18 2dbf h LYS 10 Ca -0.22 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.07 2dbf h LYS 10 Cb 1.54 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 2dbf h LYS 10 CO 0.02 0.09 -0.13 -0.56 -2.27 0.00 0.00 179.45 176.60 2dbf h GLN 11 N 0.13 0.60 -6.82 1.90 3.07 -2.00 -3.43 115.11 108.56 2dbf h GLN 11 Ca 0.24 -0.19 -0.53 0.00 0.09 0.00 0.00 58.65 58.26 2dbf h GLN 11 Cb 0.78 -0.06 0.08 0.00 0.08 0.00 0.00 27.48 28.36 2dbf h GLN 11 CO -0.03 0.71 0.81 -0.51 0.09 0.00 0.00 178.83 179.90 2dbf s LEU 12 N -8.91 4.36 0.47 0.06 1.43 0.01 -4.98 118.68 111.12 2dbf s LEU 12 Ca -0.08 2.86 -0.19 0.00 -1.03 0.00 0.00 54.13 55.70 2dbf s LEU 12 Cb 0.14 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 2dbf s LEU 12 CO 0.79 -0.81 0.97 0.00 0.23 0.00 0.00 176.35 177.53 2dbf s ALA 13 N -0.30 3.05 0.30 4.21 0.00 -1.26 -4.96 121.76 122.79 2dbf s ALA 13 Ca 0.59 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 2dbf s ALA 13 Cb -0.45 -3.14 0.44 0.00 0.00 0.00 0.00 23.12 19.98 2dbf s ALA 13 CO 0.50 -0.07 1.96 0.93 0.00 0.00 0.00 175.76 179.08 2dbf h GLU 14 N 1.40 1.06 -0.14 0.00 5.08 -1.95 -1.50 114.58 118.53 2dbf h GLU 14 Ca -0.48 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 2dbf h GLU 14 Cb 1.18 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2dbf h GLU 14 CO 0.61 0.72 0.04 -0.44 -1.00 0.00 0.00 179.01 178.94 2dbf h ASP 15 N 1.09 0.17 0.26 1.42 3.32 -1.98 0.19 116.42 120.89 2dbf h ASP 15 Ca 0.29 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2dbf h ASP 15 Cb -0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2dbf h ASP 15 CO -0.06 0.18 -0.13 0.58 -1.72 0.00 0.00 179.24 178.09 2dbf h VAL 16 N 0.20 0.66 0.00 -1.35 2.07 -1.63 -3.01 116.25 113.19 2dbf h VAL 16 Ca 0.05 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 2dbf h VAL 16 Cb 0.07 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2dbf h VAL 16 CO -0.00 0.15 -0.27 0.11 0.02 0.00 0.00 177.57 177.57 2dbf h LYS 17 N -0.87 0.00 -0.94 1.57 6.56 -1.32 -2.71 116.57 118.87 2dbf h LYS 17 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2dbf h LYS 17 Cb 0.51 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.13 2dbf h LYS 17 CO 0.06 0.27 0.59 -0.07 -2.06 0.00 0.00 179.45 178.24 2dbf h LEU 18 N 0.00 1.11 -0.84 2.94 3.38 -0.64 -2.12 115.31 119.13 2dbf h LEU 18 Ca -0.00 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2dbf h LEU 18 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2dbf h LEU 18 CO 0.04 0.83 -0.53 1.56 0.09 0.00 0.00 178.44 180.43 2dbf h GLN 19 N 1.28 0.14 -0.34 1.13 4.20 -1.34 -2.97 115.11 117.21 2dbf h GLN 19 Ca 0.34 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2dbf h GLN 19 Cb -0.09 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2dbf h GLN 19 CO -0.07 0.63 0.22 -0.07 -0.67 0.00 0.00 178.83 178.88 2dbf h LEU 20 N 0.11 0.40 -0.57 1.46 3.38 -1.26 -2.13 115.31 116.70 2dbf h LEU 20 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2dbf h LEU 20 Cb 0.97 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2dbf h LEU 20 CO 0.08 0.29 0.27 1.88 0.09 0.00 0.00 178.44 181.05 2dbf h TYR 21 N 0.47 0.82 -0.44 1.13 0.05 -1.36 -1.16 116.97 116.48 2dbf h TYR 21 Ca 0.13 -0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 2dbf h TYR 21 Cb -0.05 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 2dbf h TYR 21 CO 0.00 0.63 -0.03 0.87 -1.05 0.00 0.00 178.16 178.58 2dbf h LYS 22 N 0.77 0.74 0.13 4.88 1.57 -1.49 -0.15 116.57 123.02 2dbf h LYS 22 Ca 0.20 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2dbf h LYS 22 Cb 0.12 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2dbf h LYS 22 CO -0.02 0.78 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.50 2dbf h LEU 23 N 0.69 -0.14 -1.52 2.94 3.38 -1.09 -3.04 115.31 116.52 2dbf h LEU 23 Ca 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2dbf h LEU 23 Cb 0.47 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2dbf h LEU 23 CO 0.02 0.19 -0.25 -0.07 0.09 0.00 0.00 178.44 178.43 2dbf h LEU 24 N -0.50 0.00 -2.23 1.67 3.38 -1.16 -2.34 115.31 114.13 2dbf h LEU 24 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2dbf h LEU 24 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2dbf h LEU 24 CO 0.03 0.25 0.12 -0.08 0.09 0.00 0.00 178.44 178.84 2dbf h GLU 25 N 0.00 0.00 -6.56 1.13 4.22 -0.90 -1.92 114.58 110.56 2dbf h GLU 25 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.91 2dbf h GLU 25 Cb 0.46 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.75 2dbf h GLU 25 CO 0.03 0.00 1.04 0.42 -2.18 0.00 0.00 179.01 178.33 2dbf s ILE 26 N -4.77 2.45 -1.28 2.32 1.01 -0.88 -4.86 121.20 115.19 2dbf s ILE 26 Ca -0.05 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 2dbf s ILE 26 Cb 0.16 -3.09 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 2dbf s ILE 26 CO 0.59 0.00 2.53 -0.81 0.00 0.00 0.00 174.94 177.26 2dbf n PRO 27 N 4.99 2.90 -4.58 2.79 -0.04 -1.26 -3.98 135.00 135.82 2dbf n PRO 27 Ca 0.17 -1.87 -0.31 0.00 -0.04 0.00 0.00 63.50 61.44 2dbf n PRO 27 Cb 0.38 -2.66 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 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 2.83 4.04 0.13 3.54 1.11 -1.26 -5.02 116.67 122.05 2dbf s ASP 28 Ca 0.55 -0.36 -0.25 0.00 0.18 0.00 0.00 52.55 52.68 2dbf s ASP 28 Cb 0.14 -0.74 -0.02 0.00 1.07 0.00 0.00 42.92 43.37 2dbf s ASP 28 CO -0.04 0.26 1.63 -0.65 1.18 0.00 0.00 175.17 177.54 2dbf h PRO 29 N 4.46 -0.33 -0.97 8.23 0.11 -1.99 -2.00 132.00 139.51 2dbf h PRO 29 Ca -0.48 0.02 -0.66 0.00 0.11 0.00 0.00 66.00 64.99 2dbf h PRO 29 Cb 1.16 0.07 -0.30 0.00 0.11 0.00 0.00 31.00 32.04 2dbf h PRO 29 CO 0.49 -0.22 0.69 -0.25 -0.21 0.00 0.00 178.00 178.50 2dbf n ASP 30 N -5.38 7.33 -1.39 -2.05 8.00 -1.26 -4.26 116.55 117.54 2dbf n ASP 30 Ca -0.03 -3.78 -0.04 0.00 0.71 0.00 0.00 54.79 51.65 2dbf n ASP 30 Cb 0.29 -0.91 -0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.90 0.35 -4.22 -1.24 5.02 -0.91 -4.54 118.16 111.73 2dbf n LYS 31 Ca 0.61 -0.80 -0.25 0.00 -2.02 0.00 0.00 58.31 55.85 2dbf n LYS 31 Cb 0.71 0.44 -0.07 0.00 -0.02 0.00 0.00 35.03 36.09 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 -0.78 4.83 0.25 4.39 3.04 -0.80 -4.15 114.94 121.71 2dbf s ASN 32 Ca 0.02 -0.44 0.02 0.00 0.04 0.00 0.00 52.86 52.50 2dbf s ASN 32 Cb 0.11 -1.03 0.31 0.00 -1.54 0.00 0.00 41.25 39.11 2dbf s ASN 32 CO -0.03 0.05 1.64 4.11 -3.04 0.00 0.00 177.10 179.82 2dbf h TRP 33 N 2.29 0.50 -0.52 0.43 5.08 -1.61 -2.96 115.95 119.15 2dbf h TRP 33 Ca -0.46 -0.14 -0.08 0.00 1.08 0.00 0.00 58.89 59.29 2dbf h TRP 33 Cb 1.22 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 27.25 2dbf h TRP 33 CO 0.63 0.77 0.00 0.00 -1.28 0.00 0.00 178.44 178.56 2dbf h ALA 34 N 1.21 1.03 -0.68 0.11 0.00 -1.95 -2.57 119.26 116.41 2dbf h ALA 34 Ca 0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2dbf h ALA 34 Cb 0.87 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2dbf h ALA 34 CO 0.07 0.60 0.12 1.15 0.00 0.00 0.00 179.25 181.19 2dbf h THR 35 N 0.81 1.26 -0.10 0.00 2.02 -1.86 -2.62 112.91 112.43 2dbf h THR 35 Ca 0.15 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 2dbf h THR 35 Cb 0.48 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2dbf h THR 35 CO 0.02 0.39 -0.21 0.25 0.37 0.00 0.00 175.52 176.34 2dbf h LEU 36 N 1.05 0.15 -1.28 2.58 5.85 -1.35 -2.57 115.31 119.75 2dbf h LEU 36 Ca 0.21 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2dbf h LEU 36 Cb 0.44 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2dbf h LEU 36 CO 0.01 0.38 0.42 0.00 -0.34 0.00 0.00 178.44 178.91 2dbf h ALA 37 N 1.64 1.46 -0.14 1.25 0.00 -1.07 0.10 119.26 122.51 2dbf h ALA 37 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2dbf h ALA 37 Cb 0.46 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dbf h ALA 37 CO 0.03 0.47 -0.12 1.96 0.00 0.00 0.00 179.25 181.60 2dbf h GLN 38 N 0.93 0.32 0.09 0.00 4.20 -1.44 0.48 115.11 119.70 2dbf h GLN 38 Ca 0.25 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2dbf h GLN 38 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2dbf h GLN 38 CO -0.05 0.70 -0.04 0.87 -0.67 0.00 0.00 178.83 179.64 2dbf h LYS 39 N -0.05 -0.11 0.00 1.46 6.56 -1.37 -3.35 116.57 119.72 2dbf h LYS 39 Ca 0.02 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2dbf h LYS 39 Cb 0.63 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2dbf h LYS 39 CO 0.03 0.11 0.00 1.28 -2.06 0.00 0.00 179.45 178.81 2dbf n LEU 40 N -5.05 0.02 0.00 2.94 4.77 0.33 -4.96 117.00 115.06 2dbf n LEU 40 Ca -0.08 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 2dbf n LEU 40 Cb 0.16 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2dbf n LEU 40 CO 0.33 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 2dbf n GLY 41 N -0.77 0.00 1.64 -0.72 0.00 -0.54 -5.05 105.19 99.74 2dbf n GLY 41 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 1.14 0.22 0.99 4.77 0.16 -4.87 117.00 119.41 2dbf n LEU 42 Ca 0.00 -2.19 0.07 0.00 -0.03 0.00 0.00 56.01 53.85 2dbf n LEU 42 Cb 0.00 0.04 0.52 0.00 -2.33 0.00 0.00 43.42 41.66 2dbf n LEU 42 CO 0.00 0.60 0.88 1.23 -1.33 0.00 0.00 177.39 178.77 2dbf h GLY 43 N 1.21 0.00 1.91 -0.72 0.00 -1.80 -2.38 103.07 101.28 2dbf h GLY 43 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 2dbf h GLY 43 CO 0.11 0.00 -0.74 1.19 0.00 0.00 0.00 176.54 177.10 2dbf h ILE 44 N 0.00 1.49 -0.88 2.60 6.09 -1.90 -3.11 117.51 121.80 2dbf h ILE 44 Ca -0.00 -2.44 -0.41 0.00 -1.37 0.00 0.00 64.86 60.64 2dbf h ILE 44 Cb 0.41 2.32 -0.24 0.00 0.47 0.00 0.00 36.82 39.77 2dbf h ILE 44 CO 0.03 0.70 0.52 0.18 -3.07 0.00 0.00 178.15 176.51 2dbf n LEU 45 N -3.70 6.40 0.07 2.19 4.77 -0.92 -4.41 117.00 121.40 2dbf n LEU 45 Ca -0.02 -3.39 -0.08 0.00 -0.03 0.00 0.00 56.01 52.49 2dbf n LEU 45 Cb 0.72 -0.80 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2dbf n LEU 45 CO 0.45 0.95 0.34 0.78 -1.33 0.00 0.00 177.39 178.58 2dbf h ASN 46 N 1.48 0.34 0.43 -1.43 2.35 -1.43 -3.12 115.58 114.20 2dbf h ASN 46 Ca 0.50 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2dbf h ASN 46 Cb 2.64 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 40.89 2dbf h ASN 46 CO 0.95 0.98 -0.48 -1.13 -1.65 0.00 0.00 177.43 176.11 2dbf h ASN 47 N 0.18 0.07 0.49 5.81 -1.24 -1.84 -1.83 115.58 117.22 2dbf h ASN 47 Ca -0.03 -0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.84 2dbf h ASN 47 Cb 1.34 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.36 2dbf h ASN 47 CO 0.12 0.54 -0.51 0.00 -1.29 0.00 0.00 177.43 176.29 2dbf h ALA 48 N 1.46 1.13 0.22 1.57 0.00 -1.86 -2.83 119.26 118.96 2dbf h ALA 48 Ca -0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 2dbf h ALA 48 Cb 0.87 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.60 2dbf h ALA 48 CO 0.07 0.64 -1.48 0.74 0.00 0.00 0.00 179.25 179.22 2dbf h PHE 49 N 0.02 0.83 -0.42 0.00 0.04 -1.46 -3.15 116.94 112.80 2dbf h PHE 49 Ca -0.00 -0.61 0.03 0.00 2.80 0.00 0.00 57.97 60.19 2dbf h PHE 49 Cb 0.92 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 2dbf h PHE 49 CO 0.00 1.57 0.28 -0.09 -0.60 0.00 0.00 178.31 179.47 2dbf h ARG 50 N 0.05 0.44 -0.01 1.51 2.43 -1.32 -1.27 114.38 116.21 2dbf h ARG 50 Ca -0.27 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.70 2dbf h ARG 50 Cb 2.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.50 2dbf h ARG 50 CO 0.22 0.29 -0.79 -0.07 -1.51 0.00 0.00 179.97 178.11 2dbf h LEU 51 N 0.45 0.14-10.29 3.80 3.38 -1.59 -3.46 115.31 107.74 2dbf h LEU 51 Ca 0.17 -0.10 -0.50 0.00 0.09 0.00 0.00 57.88 57.53 2dbf h LEU 51 Cb 0.12 -0.04 0.16 0.00 0.09 0.00 0.00 40.66 40.99 2dbf h LEU 51 CO -0.04 0.87 0.25 -0.44 0.09 0.00 0.00 178.44 179.17 2dbf s SER 52 N -6.86 3.54 0.44 -0.43 0.01 -0.48 -4.93 113.70 104.99 2dbf s SER 52 Ca -0.02 1.82 0.19 0.00 1.31 0.00 0.00 55.95 59.25 2dbf s SER 52 Cb 0.11 -2.43 1.03 0.00 0.21 0.00 0.00 66.02 64.94 2dbf s SER 52 CO 0.80 -2.65 1.94 1.55 0.41 0.00 0.00 173.24 175.30 2dbf h PRO 53 N -1.55 0.00 -2.53 12.44 0.13 -1.88 -3.36 132.00 135.24 2dbf h PRO 53 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2dbf h PRO 53 Cb 1.26 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.00 2dbf h PRO 53 CO 0.49 0.24 -0.89 0.00 -0.23 0.00 0.00 178.00 177.61 2dbf s ALA 54 N -4.25 1.37 0.32 -0.56 0.00 -1.26 -4.99 121.76 112.38 2dbf s ALA 54 Ca -0.03 -2.29 0.06 0.00 0.00 0.00 0.00 51.96 49.71 2dbf s ALA 54 Cb 0.14 -1.64 0.74 0.00 0.00 0.00 0.00 23.12 22.35 2dbf s ALA 54 CO 0.67 -2.04 1.81 -1.35 0.00 0.00 0.00 175.76 174.85 2dbf h PRO 55 N 6.25 0.76 -0.06 0.00 0.11 -1.71 0.11 132.00 137.46 2dbf h PRO 55 Ca 0.16 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 2dbf h PRO 55 Cb 0.93 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 2dbf h PRO 55 CO 0.35 0.50 -0.47 0.66 -0.21 0.00 0.00 178.00 178.83 2dbf h SER 56 N 0.78 0.16 0.85 -2.05 4.64 -1.89 -1.74 113.55 114.29 2dbf h SER 56 Ca 0.53 -0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 61.58 2dbf h SER 56 Cb 0.81 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2dbf h SER 56 CO -0.31 0.60 -0.95 0.50 -0.87 0.00 0.00 176.83 175.81 2dbf h LYS 57 N 0.12 0.05 0.00 4.77 3.64 -1.25 -3.24 116.57 120.66 2dbf h LYS 57 Ca 0.01 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 2dbf h LYS 57 Cb 0.87 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2dbf h LYS 57 CO 0.07 0.96 -0.76 1.15 -2.27 0.00 0.00 179.45 178.60 2dbf h THR 58 N 0.02 1.43 0.46 1.00 2.02 -0.76 -3.24 112.91 113.84 2dbf h THR 58 Ca -0.03 -2.71 -0.02 0.00 0.77 0.00 0.00 66.41 64.42 2dbf h THR 58 Cb 1.65 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 70.57 2dbf h THR 58 CO 0.13 0.75 -0.27 0.25 0.37 0.00 0.00 175.52 176.75 2dbf h LEU 59 N 0.00 -0.66 -1.94 2.58 5.85 -1.34 -1.58 115.31 118.22 2dbf h LEU 59 Ca -0.01 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2dbf h LEU 59 Cb 1.45 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2dbf h LEU 59 CO 0.10 -0.43 0.14 0.24 -0.34 0.00 0.00 178.44 178.15 2dbf h MET 60 N -0.68 0.07 -0.02 1.25 2.86 -1.66 0.11 114.93 116.85 2dbf h MET 60 Ca -0.05 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 2dbf h MET 60 Cb 0.55 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2dbf h MET 60 CO 0.06 0.05 -0.51 -0.44 1.06 0.00 0.00 176.91 177.13 2dbf h ASP 61 N 0.07 0.07 0.58 1.22 3.32 -1.45 -1.54 116.42 118.70 2dbf h ASP 61 Ca 0.09 -0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.83 2dbf h ASP 61 Cb 0.28 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2dbf h ASP 61 CO -0.01 0.57 -1.50 0.78 -1.72 0.00 0.00 179.24 177.36 2dbf h ASN 62 N 0.05 0.13 -0.28 6.45 -0.26 -0.09 -3.24 115.58 118.33 2dbf h ASN 62 Ca -0.00 -0.20 -0.18 0.00 -0.56 0.00 0.00 56.30 55.35 2dbf h ASN 62 Cb 0.93 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 2dbf h ASN 62 CO 0.07 1.17 -0.53 0.22 -1.06 0.00 0.00 177.43 177.31 2dbf h TYR 63 N 0.02 1.08 -0.65 1.19 3.20 -0.80 -2.99 116.97 118.02 2dbf h TYR 63 Ca -0.21 -0.38 -0.04 0.00 3.14 0.00 0.00 58.73 61.23 2dbf h TYR 63 Cb 1.95 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.99 2dbf h TYR 63 CO 0.02 1.21 0.24 1.49 -1.64 0.00 0.00 178.16 179.48 2dbf h GLU 64 N 0.64 0.99 0.00 1.82 4.81 -1.42 -2.24 114.58 119.18 2dbf h GLU 64 Ca 0.01 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2dbf h GLU 64 Cb 1.14 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 2dbf h GLU 64 CO 0.12 0.84 -0.10 0.28 -0.73 0.00 0.00 179.01 179.42 2dbf h VAL 65 N 0.93 1.06 -0.89 0.32 2.07 -1.57 -1.90 116.25 116.27 2dbf h VAL 65 Ca 0.21 -0.34 -0.53 0.00 0.82 0.00 0.00 66.70 66.87 2dbf h VAL 65 Cb 0.24 1.19 -0.27 0.00 -1.52 0.00 0.00 31.29 30.92 2dbf h VAL 65 CO -0.01 0.10 0.67 -1.20 0.02 0.00 0.00 177.57 177.15 2dbf n SER 66 N -4.41 5.34 0.00 0.57 7.64 -0.91 -4.94 113.62 116.91 2dbf n SER 66 Ca -0.03 -3.52 0.00 0.00 1.01 0.00 0.00 58.87 56.33 2dbf n SER 66 Cb 0.17 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 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 -0.83 1.95 1.56 0.23 0.00 -0.71 -4.96 105.19 102.43 2dbf n GLY 67 Ca 0.55 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.44 3.23 -0.02 0.00 -0.89 -4.46 105.19 98.60 2dbf n GLY 68 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2dbf n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dbf s THR 69 N -0.30 1.57 0.31 2.61 2.01 -1.26 -1.22 115.64 119.37 2dbf s THR 69 Ca 0.00 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 60.88 2dbf s THR 69 Cb 0.00 -1.37 0.14 0.00 0.01 0.00 0.00 72.50 71.28 2dbf s THR 69 CO 0.00 0.19 1.84 0.58 -0.69 0.00 0.00 174.62 176.53 2dbf h VAL 70 N 4.40 1.21 -0.99 3.82 2.07 -1.95 -1.86 116.25 122.95 2dbf h VAL 70 Ca -0.42 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.25 2dbf h VAL 70 Cb 1.16 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 2dbf h VAL 70 CO 0.44 0.30 0.66 0.03 0.02 0.00 0.00 177.57 179.01 2dbf h ARG 71 N 0.57 1.31 -0.01 1.57 -0.00 -1.96 0.14 114.38 116.01 2dbf h ARG 71 Ca 0.12 -0.08 -0.19 0.00 -0.50 0.00 0.00 59.98 59.33 2dbf h ARG 71 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 29.97 30.04 2dbf h ARG 71 CO 0.01 0.87 -0.83 0.93 0.00 0.00 0.00 179.97 180.95 2dbf h GLU 72 N 1.35 0.18 -0.05 0.04 4.39 -1.90 -2.07 114.58 116.52 2dbf h GLU 72 Ca 0.36 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2dbf h GLU 72 Cb -0.15 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2dbf h GLU 72 CO -0.08 0.91 -0.02 1.25 -1.16 0.00 0.00 179.01 179.92 2dbf h LEU 73 N 0.11 0.10 -1.01 1.33 5.85 -0.73 -1.14 115.31 119.81 2dbf h LEU 73 Ca -0.04 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 2dbf h LEU 73 Cb 1.44 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2dbf h LEU 73 CO 0.13 0.47 -0.42 0.58 -0.34 0.00 0.00 178.44 178.86 2dbf h VAL 74 N -0.27 1.31 -0.06 1.05 2.07 -1.06 -2.69 116.25 116.60 2dbf h VAL 74 Ca 0.01 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2dbf h VAL 74 Cb 0.43 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2dbf h VAL 74 CO 0.01 0.44 -0.04 -0.33 0.02 0.00 0.00 177.57 177.67 2dbf h GLU 75 N 0.13 0.13 -0.71 1.57 5.08 -1.31 -2.61 114.58 116.85 2dbf h GLU 75 Ca 0.01 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2dbf h GLU 75 Cb 0.80 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 2dbf h GLU 75 CO 0.06 0.54 0.44 0.00 -1.00 0.00 0.00 179.01 179.04 2dbf h ALA 76 N 0.59 0.95 0.00 3.43 0.00 -1.16 -0.97 119.26 122.09 2dbf h ALA 76 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dbf h ALA 76 Cb 0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dbf h ALA 76 CO 0.01 0.19 -0.15 -0.07 0.00 0.00 0.00 179.25 179.22 2dbf h LEU 77 N 0.83 0.00 -0.28 0.00 3.38 -1.48 -1.89 115.31 115.87 2dbf h LEU 77 Ca 0.30 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 2dbf h LEU 77 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2dbf h LEU 77 CO -0.13 0.15 -0.87 -0.09 0.09 0.00 0.00 178.44 177.59 2dbf h ARG 78 N 0.00 0.08 -0.11 1.13 2.43 -0.82 0.80 114.38 117.89 2dbf h ARG 78 Ca -0.00 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 2dbf h ARG 78 Cb 0.28 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2dbf h ARG 78 CO 0.02 0.90 -0.70 1.96 -1.51 0.00 0.00 179.97 180.64 2dbf h GLN 79 N 0.04 0.48 0.09 0.20 4.20 -0.53 -3.22 115.11 116.37 2dbf h GLN 79 Ca -0.03 -0.37 -0.25 0.00 0.06 0.00 0.00 58.65 58.06 2dbf h GLN 79 Cb 1.52 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 2dbf h GLN 79 CO 0.12 1.00 -1.15 0.52 -0.67 0.00 0.00 178.83 178.65 2dbf h MET 80 N 0.34 0.25 0.00 1.46 2.86 -1.39 -3.48 114.93 114.97 2dbf h MET 80 Ca -0.03 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2dbf h MET 80 Cb 1.27 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.07 2dbf h MET 80 CO 0.12 1.16 0.00 0.41 1.06 0.00 0.00 176.91 179.67 2dbf n GLY 81 N 1.39 1.90 3.70 8.32 0.00 -0.66 -4.76 105.19 115.07 2dbf n GLY 81 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 3.56 -0.14 1.61 2.02 0.27 -4.92 117.35 117.74 2dbf s TYR 82 Ca 0.00 1.54 0.02 0.00 -0.37 0.00 0.00 57.07 58.26 2dbf s TYR 82 Cb 0.00 -3.09 -0.10 0.00 -0.40 0.00 0.00 41.96 38.37 2dbf s TYR 82 CO 0.00 -0.11 -0.12 2.41 -1.57 0.00 0.00 175.55 176.16 2dbf n THR 83 N 4.24 0.83 0.07 -0.71 -1.04 -1.26 -4.40 114.28 112.02 2dbf n THR 83 Ca 0.06 -0.33 -0.18 0.00 -2.04 0.00 0.00 64.05 61.55 2dbf n THR 83 Cb 0.50 -0.99 -0.10 0.00 -1.82 0.00 0.00 70.33 67.92 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 0.54 -0.78 -2.82 4.57 -1.99 -2.94 114.58 111.16 2dbf h GLU 84 Ca -0.32 -0.66 0.02 0.00 -1.18 0.00 0.00 59.36 57.21 2dbf h GLU 84 Cb 1.52 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 30.28 2dbf h GLU 84 CO -0.05 1.27 0.52 0.00 -1.18 0.00 0.00 179.01 179.57 2dbf h ALA 85 N 0.48 1.47 -0.04 2.92 0.00 -1.98 -1.90 119.26 120.22 2dbf h ALA 85 Ca -0.14 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2dbf h ALA 85 Cb 1.77 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2dbf h ALA 85 CO 0.20 0.47 -0.74 0.82 0.00 0.00 0.00 179.25 180.01 2dbf h ILE 86 N 1.03 1.43 -0.49 0.00 2.04 -1.76 -3.17 117.51 116.58 2dbf h ILE 86 Ca 0.30 -2.27 -0.07 0.00 1.00 0.00 0.00 64.86 63.82 2dbf h ILE 86 Cb -0.06 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2dbf h ILE 86 CO -0.07 0.67 0.03 -0.33 0.00 0.00 0.00 178.15 178.45 2dbf h GLU 87 N 0.17 0.80 -0.34 2.37 5.08 -1.18 0.32 114.58 121.79 2dbf h GLU 87 Ca -0.03 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2dbf h GLU 87 Cb 1.31 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2dbf h GLU 87 CO 0.12 0.78 0.09 0.28 -1.00 0.00 0.00 179.01 179.28 2dbf h VAL 88 N 0.75 1.16 0.03 3.13 2.07 -1.37 0.69 116.25 122.71 2dbf h VAL 88 Ca 0.15 -0.54 -0.27 0.00 0.82 0.00 0.00 66.70 66.86 2dbf h VAL 88 Cb 0.41 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2dbf h VAL 88 CO 0.01 0.20 -1.42 0.40 0.02 0.00 0.00 177.57 176.78 2dbf h ILE 89 N 0.49 1.23 0.15 4.57 2.04 -1.49 -3.09 117.51 121.40 2dbf h ILE 89 Ca 0.12 -2.98 -0.31 0.00 1.00 0.00 0.00 64.86 62.69 2dbf h ILE 89 Cb 0.18 2.65 0.03 0.00 -0.74 0.00 0.00 36.82 38.94 2dbf h ILE 89 CO -0.01 0.75 -1.30 1.56 0.00 0.00 0.00 178.15 179.15 2dbf h GLN 90 N 0.02 0.58 -0.09 2.37 4.20 -0.57 -2.99 115.11 118.63 2dbf h GLN 90 Ca -0.18 -0.83 -0.10 0.00 0.06 0.00 0.00 58.65 57.60 2dbf h GLN 90 Cb 1.93 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 29.98 2dbf h GLN 90 CO 0.12 1.38 -0.38 0.00 -0.67 0.00 0.00 178.83 179.28 2dbf h ALA 91 N 0.29 1.19 -0.21 3.87 0.00 0.24 -2.96 119.26 121.69 2dbf h ALA 91 Ca -0.20 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 2dbf h ALA 91 Cb 1.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 2dbf h ALA 91 CO 0.25 0.55 -0.57 0.00 0.00 0.00 0.00 179.25 179.48 2dbf h ALA 92 N 1.45 0.62 -2.77 0.00 0.00 -1.60 -3.44 119.26 113.52 2dbf h ALA 92 Ca 0.02 -0.52 -0.50 0.00 0.00 0.00 0.00 54.91 53.91 2dbf h ALA 92 Cb 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2dbf h ALA 92 CO 0.06 0.69 0.43 -1.54 0.00 0.00 0.00 179.25 178.89 2dbf s SER 93 N -6.94 7.37 -0.29 0.00 1.04 -1.12 -4.94 113.70 108.82 2dbf s SER 93 Ca -0.08 2.14 0.09 0.00 0.48 0.00 0.00 55.95 58.58 2dbf s SER 93 Cb 0.11 -2.62 0.30 0.00 0.10 0.00 0.00 66.02 63.91 2dbf s SER 93 CO 0.86 -0.06 1.27 -1.54 0.98 0.00 0.00 173.24 174.75 2dbf n SER 94 N 1.22 -1.28 -4.69 7.02 3.41 -1.26 -4.93 113.62 113.10 2dbf n SER 94 Ca -0.01 -2.00 -0.42 0.00 -0.26 0.00 0.00 58.87 56.18 2dbf n SER 94 Cb 0.46 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.06 2dbf n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dbf s SER 95 N -0.85 6.54 0.00 4.04 0.15 -1.26 -1.35 113.70 120.97 2dbf s SER 95 Ca 0.10 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.34 2dbf s SER 95 Cb 0.32 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2dbf s SER 95 CO -0.09 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2dbf n GLY 96 N 4.06 1.33 0.14 9.45 0.00 -1.26 -4.85 105.19 114.06 2dbf n GLY 96 Ca 0.16 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 2dbf n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbf h PRO 97 N 0.00 0.39 -0.05 1.61 0.13 -1.99 -3.39 132.00 128.70 2dbf h PRO 97 Ca 0.00 -0.21 -0.18 0.00 -0.87 0.00 0.00 66.00 64.74 2dbf h PRO 97 Cb 0.00 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 30.80 2dbf h PRO 97 CO 0.00 0.77 -0.90 0.43 -0.23 0.00 0.00 178.00 178.07 2dbf n SER 98 N -4.52 0.65 -0.09 1.44 7.64 -1.26 -4.87 113.62 112.60 2dbf n SER 98 Ca -0.06 -2.01 -0.12 0.00 1.01 0.00 0.00 58.87 57.69 2dbf n SER 98 Cb 0.37 -0.19 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 2dbf n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dbf n SER 99 N 0.21 2.29 0.00 6.43 7.64 -1.26 -5.19 113.62 123.73 2dbf n SER 99 Ca -0.00 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2dbf n SER 99 Cb 1.02 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64