#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 0.05 -3.69 1.61 2.88 -1.26 -5.10 113.62 108.10 2dbf n SER 2 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2dbf n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2dbf n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbf s SER 3 N -4.79 -0.35 -0.03 -3.46 0.01 -1.26 -5.07 113.70 98.75 2dbf s SER 3 Ca 0.00 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 57.98 2dbf s SER 3 Cb 0.00 0.77 -0.03 0.00 0.21 0.00 0.00 66.02 66.98 2dbf s SER 3 CO 0.00 -0.20 -0.16 0.61 0.41 0.00 0.00 173.24 173.90 2dbf n GLY 4 N 4.52 -0.26 3.43 3.44 0.00 -1.26 -4.92 105.19 110.13 2dbf n GLY 4 Ca -0.20 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 2dbf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbf s SER 5 N -5.97 6.19 -0.19 1.61 0.01 -1.26 -5.02 113.70 109.07 2dbf s SER 5 Ca -0.13 -1.15 -0.07 0.00 1.31 0.00 0.00 55.95 55.91 2dbf s SER 5 Cb 0.02 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2dbf s SER 5 CO 0.20 -1.34 0.04 -0.44 0.41 0.00 0.00 173.24 172.11 2dbf s SER 6 N 3.67 5.35 0.00 2.44 0.01 -1.26 -4.99 113.70 118.92 2dbf s SER 6 Ca 0.19 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2dbf s SER 6 Cb -0.19 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2dbf s SER 6 CO 0.09 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2dbf n GLY 7 N 3.80 2.41 2.78 3.44 0.00 -1.26 -4.56 105.19 111.80 2dbf n GLY 7 Ca -0.17 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 2dbf n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dbf n ASP 8 N 0.00 1.32 0.02 1.61 -0.08 -0.45 -4.86 116.55 114.10 2dbf n ASP 8 Ca 0.00 -2.21 -0.01 0.00 -1.51 0.00 0.00 54.79 51.06 2dbf n ASP 8 Cb 0.00 -0.40 -0.10 0.00 2.34 0.00 0.00 41.12 42.96 2dbf n ASP 8 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2dbf n MET 9 N -0.52 0.63 0.06 -0.67 2.81 -1.12 -4.02 117.12 114.29 2dbf n MET 9 Ca 0.06 0.22 0.15 0.00 -1.81 0.00 0.00 57.70 56.32 2dbf n MET 9 Cb 0.81 -1.79 0.63 0.00 -0.71 0.00 0.00 33.22 32.16 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 0.09 0.00 0.03 1.57 -1.89 0.49 116.57 116.86 2dbf h LYS 10 Ca -0.19 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 2dbf h LYS 10 Cb 1.66 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 2dbf h LYS 10 CO 0.05 0.06 -0.57 -0.56 -0.57 0.00 0.00 179.45 177.86 2dbf h GLN 11 N 0.09 0.00 -6.88 3.15 3.07 -1.97 -3.44 115.11 109.13 2dbf h GLN 11 Ca 0.19 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.41 2dbf h GLN 11 Cb 0.62 0.00 0.06 0.00 0.08 0.00 0.00 27.48 28.24 2dbf h GLN 11 CO -0.02 0.57 0.61 -0.51 0.09 0.00 0.00 178.83 179.57 2dbf s LEU 12 N -7.59 4.42 0.48 0.06 1.43 0.16 -5.01 118.68 112.63 2dbf s LEU 12 Ca -0.01 2.61 -0.18 0.00 -1.03 0.00 0.00 54.13 55.52 2dbf s LEU 12 Cb 0.13 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 2dbf s LEU 12 CO 0.75 -0.51 0.97 0.00 0.23 0.00 0.00 176.35 177.79 2dbf s ALA 13 N -1.17 3.07 0.31 4.21 0.00 -1.26 -4.97 121.76 121.95 2dbf s ALA 13 Ca 0.49 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 2dbf s ALA 13 Cb -0.38 -3.12 0.47 0.00 0.00 0.00 0.00 23.12 20.09 2dbf s ALA 13 CO 0.50 -0.10 1.96 1.49 0.00 0.00 0.00 175.76 179.61 2dbf h GLU 14 N 1.27 1.02 -0.13 0.00 4.81 -1.96 -1.59 114.58 117.99 2dbf h GLU 14 Ca -0.48 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2dbf h GLU 14 Cb 1.18 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2dbf h GLU 14 CO 0.61 0.69 0.09 -0.44 -0.73 0.00 0.00 179.01 179.24 2dbf h ASP 15 N 1.04 0.15 0.08 1.04 5.19 -1.99 0.14 116.42 122.08 2dbf h ASP 15 Ca 0.28 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.68 2dbf h ASP 15 Cb -0.08 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.39 2dbf h ASP 15 CO -0.06 0.11 -0.04 0.58 -3.12 0.00 0.00 179.24 176.72 2dbf h VAL 16 N 0.18 1.15 0.00 -1.35 2.07 -1.64 -3.01 116.25 113.64 2dbf h VAL 16 Ca 0.05 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 2dbf h VAL 16 Cb -0.02 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2dbf h VAL 16 CO -0.01 0.21 -0.46 0.11 0.02 0.00 0.00 177.57 177.44 2dbf h LYS 17 N -0.50 0.00 -0.82 1.57 6.56 -1.36 -3.05 116.57 118.97 2dbf h LYS 17 Ca -0.01 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.62 2dbf h LYS 17 Cb 0.42 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.03 2dbf h LYS 17 CO 0.02 0.46 0.52 -0.07 -2.06 0.00 0.00 179.45 178.32 2dbf h LEU 18 N 0.00 0.85 -0.88 2.94 3.38 -0.69 -1.73 115.31 119.19 2dbf h LEU 18 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2dbf h LEU 18 Cb 0.85 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2dbf h LEU 18 CO 0.06 0.58 -0.48 1.56 0.09 0.00 0.00 178.44 180.24 2dbf h GLN 19 N 1.00 0.18 -0.76 1.13 4.20 -1.42 -2.99 115.11 116.45 2dbf h GLN 19 Ca 0.34 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.96 2dbf h GLN 19 Cb 0.05 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2dbf h GLN 19 CO -0.13 0.63 0.50 -0.07 -0.67 0.00 0.00 178.83 179.09 2dbf h LEU 20 N 0.14 0.88 -1.81 1.46 3.38 -1.28 -1.40 115.31 116.68 2dbf h LEU 20 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2dbf h LEU 20 Cb 0.91 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2dbf h LEU 20 CO 0.07 0.65 0.03 1.88 0.09 0.00 0.00 178.44 181.15 2dbf h TYR 21 N 1.04 0.14 0.02 1.13 0.05 -1.33 -0.89 116.97 117.13 2dbf h TYR 21 Ca 0.28 -0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.85 2dbf h TYR 21 Cb -0.11 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 2dbf h TYR 21 CO 0.00 0.13 -0.96 0.87 -1.05 0.00 0.00 178.16 177.15 2dbf h LYS 22 N 0.15 0.12 -0.01 4.88 6.56 -1.36 -2.50 116.57 124.41 2dbf h LYS 22 Ca 0.04 -0.16 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 2dbf h LYS 22 Cb 0.06 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2dbf h LYS 22 CO -0.00 0.99 -0.04 -0.07 -2.06 0.00 0.00 179.45 178.27 2dbf h LEU 23 N 0.05 0.05 -1.50 2.94 3.38 -0.87 -3.21 115.31 116.15 2dbf h LEU 23 Ca -0.04 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 2dbf h LEU 23 Cb 1.64 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2dbf h LEU 23 CO 0.14 0.66 -0.26 -0.07 0.09 0.00 0.00 178.44 179.00 2dbf h LEU 24 N -0.55 0.00 -2.27 1.67 3.38 -1.30 -2.46 115.31 113.78 2dbf h LEU 24 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2dbf h LEU 24 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2dbf h LEU 24 CO 0.01 0.26 0.18 -0.08 0.09 0.00 0.00 178.44 178.89 2dbf h GLU 25 N 0.00 0.00 -6.51 1.13 4.81 -1.44 -2.51 114.58 110.06 2dbf h GLU 25 Ca -0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 2dbf h GLU 25 Cb 0.51 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.93 2dbf h GLU 25 CO 0.03 0.00 1.01 -0.89 -0.73 0.00 0.00 179.01 178.44 2dbf n ILE 26 N -3.77 0.23 -1.09 2.32 5.41 -0.93 -4.85 119.36 116.69 2dbf n ILE 26 Ca 0.01 -0.04 -0.29 0.00 1.00 0.00 0.00 62.75 63.43 2dbf n ILE 26 Cb 0.29 -1.92 -0.06 0.00 -0.71 0.00 0.00 39.64 37.24 2dbf n ILE 26 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2dbf n PRO 27 N 4.89 2.91 -4.50 0.38 -0.04 -1.26 -4.02 135.00 133.35 2dbf n PRO 27 Ca 0.18 -1.73 -0.28 0.00 -0.04 0.00 0.00 63.50 61.62 2dbf n PRO 27 Cb 0.34 -2.52 -0.13 0.00 -0.04 0.00 0.00 33.50 31.14 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 2.42 3.13 0.21 3.54 1.01 -1.26 -5.03 116.67 120.69 2dbf s ASP 28 Ca 0.61 -0.70 -0.08 0.00 0.71 0.00 0.00 52.55 53.09 2dbf s ASP 28 Cb 0.19 -0.22 0.14 0.00 1.01 0.00 0.00 42.92 44.04 2dbf s ASP 28 CO -0.04 0.18 1.75 1.55 0.21 0.00 0.00 175.17 178.81 2dbf h PRO 29 N 4.15 1.17 -0.94 8.23 0.13 -1.98 -1.32 132.00 141.44 2dbf h PRO 29 Ca -0.49 -0.25 -0.44 0.00 -0.87 0.00 0.00 66.00 63.95 2dbf h PRO 29 Cb 1.17 -0.17 -0.26 0.00 0.13 0.00 0.00 31.00 31.86 2dbf h PRO 29 CO 0.40 0.99 0.56 -0.25 -0.23 0.00 0.00 178.00 179.47 2dbf n ASP 30 N -4.25 4.05 -2.07 1.44 9.92 -1.26 -4.27 116.55 120.11 2dbf n ASP 30 Ca 0.06 -3.51 -0.02 0.00 -0.53 0.00 0.00 54.79 50.80 2dbf n ASP 30 Cb 0.23 -0.82 0.07 0.00 -0.64 0.00 0.00 41.12 39.96 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 -0.88 0.76 -4.27 -1.24 5.02 -1.02 -4.54 118.16 111.99 2dbf n LYS 31 Ca 0.55 -0.74 -0.27 0.00 -2.02 0.00 0.00 58.31 55.83 2dbf n LYS 31 Cb 1.61 0.29 -0.09 0.00 -0.02 0.00 0.00 35.03 36.82 2dbf n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2dbf s ASN 32 N -0.69 4.34 0.34 4.39 0.02 -0.53 -4.06 114.94 118.74 2dbf s ASN 32 Ca 0.05 -0.51 0.07 0.00 -1.02 0.00 0.00 52.86 51.45 2dbf s ASN 32 Cb 0.25 -0.78 0.60 0.00 0.02 0.00 0.00 41.25 41.34 2dbf s ASN 32 CO -0.07 0.12 1.81 4.11 0.02 0.00 0.00 177.10 183.08 2dbf h TRP 33 N 3.05 0.31 -0.38 2.20 5.08 -1.71 -2.46 115.95 122.04 2dbf h TRP 33 Ca -0.47 -0.06 -0.13 0.00 1.08 0.00 0.00 58.89 59.31 2dbf h TRP 33 Cb 1.19 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 27.27 2dbf h TRP 33 CO 0.63 0.51 -0.30 0.00 -1.28 0.00 0.00 178.44 178.01 2dbf h ALA 34 N 1.49 0.77 -0.22 0.11 0.00 -1.96 -2.62 119.26 116.83 2dbf h ALA 34 Ca 0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2dbf h ALA 34 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dbf h ALA 34 CO 0.04 0.65 -0.36 1.15 0.00 0.00 0.00 179.25 180.73 2dbf h THR 35 N 0.69 1.29 -0.17 0.00 2.02 -1.81 -2.90 112.91 112.02 2dbf h THR 35 Ca 0.08 -1.48 -0.10 0.00 0.77 0.00 0.00 66.41 65.68 2dbf h THR 35 Cb 0.84 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2dbf h THR 35 CO 0.07 0.46 -0.32 0.25 0.37 0.00 0.00 175.52 176.36 2dbf h LEU 36 N 0.41 0.35 -0.68 2.58 5.85 -1.31 -2.87 115.31 119.64 2dbf h LEU 36 Ca 0.04 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dbf h LEU 36 Cb 0.82 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2dbf h LEU 36 CO 0.07 0.66 0.45 0.00 -0.34 0.00 0.00 178.44 179.28 2dbf h ALA 37 N 1.36 0.87 -0.09 1.25 0.00 -1.26 0.36 119.26 121.75 2dbf h ALA 37 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2dbf h ALA 37 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dbf h ALA 37 CO 0.05 0.30 -0.36 1.96 0.00 0.00 0.00 179.25 181.21 2dbf h GLN 38 N 0.93 0.19 0.11 0.00 4.20 -1.52 0.68 115.11 119.70 2dbf h GLN 38 Ca 0.25 -0.08 -0.29 0.00 0.06 0.00 0.00 58.65 58.59 2dbf h GLN 38 Cb -0.10 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.70 2dbf h GLN 38 CO -0.05 0.53 -1.22 0.87 -0.67 0.00 0.00 178.83 178.29 2dbf h LYS 39 N 0.16 0.58 0.11 1.46 6.56 -1.17 -3.36 116.57 120.90 2dbf h LYS 39 Ca 0.02 -0.77 -0.01 0.00 -1.06 0.00 0.00 60.65 58.84 2dbf h LYS 39 Cb 0.71 0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.63 2dbf h LYS 39 CO 0.05 1.34 -0.05 -0.07 -2.06 0.00 0.00 179.45 178.66 2dbf h LEU 40 N 0.26 -0.12 0.00 2.94 3.38 -0.18 -3.45 115.31 118.13 2dbf h LEU 40 Ca -0.17 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2dbf h LEU 40 Cb 1.89 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.67 2dbf h LEU 40 CO 0.23 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2dbf n GLY 41 N 0.96 0.07 1.43 0.83 0.00 0.84 -5.06 105.19 104.27 2dbf n GLY 41 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 2dbf n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dbf n LEU 42 N 0.00 0.27 0.16 0.99 4.77 0.20 -4.91 117.00 118.48 2dbf n LEU 42 Ca 0.00 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 2dbf n LEU 42 Cb 0.00 0.03 0.24 0.00 -2.33 0.00 0.00 43.42 41.36 2dbf n LEU 42 CO 0.00 0.91 0.59 1.23 -1.33 0.00 0.00 177.39 178.78 2dbf h GLY 43 N 0.74 0.00 1.87 -0.72 0.00 -1.83 -2.95 103.07 100.18 2dbf h GLY 43 Ca -0.35 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 2dbf h GLY 43 CO -0.04 0.00 -0.26 1.19 0.00 0.00 0.00 176.54 177.43 2dbf h ILE 44 N 0.00 1.23 -1.00 2.60 6.09 -1.91 -2.52 117.51 122.00 2dbf h ILE 44 Ca -0.01 -1.07 -0.53 0.00 -1.37 0.00 0.00 64.86 61.89 2dbf h ILE 44 Cb 0.93 1.46 -0.31 0.00 0.47 0.00 0.00 36.82 39.36 2dbf h ILE 44 CO 0.07 0.32 0.67 0.18 -3.07 0.00 0.00 178.15 176.32 2dbf n LEU 45 N -4.17 6.79 0.12 2.19 4.77 -1.12 -4.49 117.00 121.10 2dbf n LEU 45 Ca -0.01 -3.65 -0.00 0.00 -0.03 0.00 0.00 56.01 52.32 2dbf n LEU 45 Cb 0.35 -0.85 0.28 0.00 -2.33 0.00 0.00 43.42 40.87 2dbf n LEU 45 CO 0.39 1.07 0.69 0.78 -1.33 0.00 0.00 177.39 178.99 2dbf h ASN 46 N 1.06 0.17 0.05 -1.43 4.21 -1.45 -2.85 115.58 115.33 2dbf h ASN 46 Ca 0.64 -0.06 -0.15 0.00 1.21 0.00 0.00 56.30 57.93 2dbf h ASN 46 Cb 2.76 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 39.91 2dbf h ASN 46 CO 1.13 0.53 -0.52 -1.13 -1.29 0.00 0.00 177.43 176.15 2dbf h ASN 47 N 0.14 0.57 -0.87 5.81 -0.73 -1.84 -1.31 115.58 117.36 2dbf h ASN 47 Ca 0.01 -0.30 -0.02 0.00 1.87 0.00 0.00 56.30 57.86 2dbf h ASN 47 Cb 0.73 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 39.12 2dbf h ASN 47 CO 0.06 0.99 0.45 0.00 -0.37 0.00 0.00 177.43 178.56 2dbf h ALA 48 N 1.02 1.12 0.08 1.57 0.00 -1.84 -2.05 119.26 119.16 2dbf h ALA 48 Ca 0.01 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 2dbf h ALA 48 Cb 1.05 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2dbf h ALA 48 CO 0.10 0.65 -1.13 0.74 0.00 0.00 0.00 179.25 179.60 2dbf h PHE 49 N 1.22 0.65 -0.90 0.00 0.04 -1.47 -3.24 116.94 113.24 2dbf h PHE 49 Ca 0.30 -0.41 0.04 0.00 2.80 0.00 0.00 57.97 60.70 2dbf h PHE 49 Cb 0.06 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 2dbf h PHE 49 CO 0.01 1.27 0.58 -0.09 -0.60 0.00 0.00 178.31 179.48 2dbf h ARG 50 N 0.17 1.07 -0.05 1.51 2.43 -0.97 -1.27 114.38 117.27 2dbf h ARG 50 Ca -0.13 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 2dbf h ARG 50 Cb 1.81 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2dbf h ARG 50 CO 0.20 0.71 -0.22 -0.07 -1.51 0.00 0.00 179.97 179.07 2dbf h LEU 51 N 1.10 0.08-10.26 3.80 3.38 -1.44 -3.44 115.31 108.53 2dbf h LEU 51 Ca 0.37 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 57.81 2dbf h LEU 51 Cb 0.05 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 40.86 2dbf h LEU 51 CO -0.13 0.31 0.37 -0.44 0.09 0.00 0.00 178.44 178.64 2dbf s SER 52 N -6.94 5.41 0.09 -0.43 0.01 -0.48 -4.99 113.70 106.37 2dbf s SER 52 Ca -0.04 1.76 -0.32 0.00 1.31 0.00 0.00 55.95 58.65 2dbf s SER 52 Cb 0.15 -2.52 -0.15 0.00 0.21 0.00 0.00 66.02 63.72 2dbf s SER 52 CO 0.72 -1.42 1.51 -0.65 0.41 0.00 0.00 173.24 173.81 2dbf h PRO 53 N -0.22 -0.78 -3.50 12.44 0.11 -1.85 -3.35 132.00 134.85 2dbf h PRO 53 Ca -0.45 0.05 -0.69 0.00 0.11 0.00 0.00 66.00 65.02 2dbf h PRO 53 Cb 1.22 0.18 -0.36 0.00 0.11 0.00 0.00 31.00 32.14 2dbf h PRO 53 CO 0.56 -0.52 -0.39 0.00 -0.21 0.00 0.00 178.00 177.44 2dbf s ALA 54 N -5.60 3.59 0.52 -0.75 0.00 -1.26 -4.94 121.76 113.32 2dbf s ALA 54 Ca -0.16 -3.33 0.28 0.00 0.00 0.00 0.00 51.96 48.75 2dbf s ALA 54 Cb 0.05 -2.58 1.41 0.00 0.00 0.00 0.00 23.12 21.99 2dbf s ALA 54 CO 0.55 -2.10 1.93 -1.35 0.00 0.00 0.00 175.76 174.79 2dbf h PRO 55 N 6.82 0.04 -0.30 0.00 0.11 -1.70 0.84 132.00 137.80 2dbf h PRO 55 Ca -0.01 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 2dbf h PRO 55 Cb 0.93 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2dbf h PRO 55 CO 0.72 0.03 -0.31 0.66 -0.21 0.00 0.00 178.00 178.88 2dbf h SER 56 N 0.04 0.67 -0.19 -2.05 4.64 -1.92 -1.62 113.55 113.12 2dbf h SER 56 Ca 0.36 -0.26 -0.21 0.00 -0.47 0.00 0.00 61.79 61.21 2dbf h SER 56 Cb 1.38 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2dbf h SER 56 CO -0.02 0.93 -0.71 0.50 -0.87 0.00 0.00 176.83 176.67 2dbf h LYS 57 N 0.55 0.82 -0.07 4.77 3.64 -1.23 -3.14 116.57 121.91 2dbf h LYS 57 Ca 0.06 -0.62 -0.09 0.00 -1.27 0.00 0.00 60.65 58.73 2dbf h LYS 57 Cb 0.81 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2dbf h LYS 57 CO 0.07 1.24 -0.39 1.15 -2.27 0.00 0.00 179.45 179.25 2dbf h THR 58 N 0.58 1.29 -0.11 1.00 2.02 -1.33 -2.88 112.91 113.48 2dbf h THR 58 Ca -0.03 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 2dbf h THR 58 Cb 1.33 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 2dbf h THR 58 CO 0.15 0.42 0.06 0.25 0.37 0.00 0.00 175.52 176.77 2dbf h LEU 59 N 0.12 0.14 -1.53 2.58 5.85 -1.25 -0.29 115.31 120.93 2dbf h LEU 59 Ca 0.01 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2dbf h LEU 59 Cb 0.74 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2dbf h LEU 59 CO 0.06 0.18 -0.12 0.24 -0.34 0.00 0.00 178.44 178.46 2dbf h MET 60 N 0.09 0.16 -0.06 1.25 2.86 -1.50 0.33 114.93 118.07 2dbf h MET 60 Ca 0.04 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 2dbf h MET 60 Cb 0.07 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2dbf h MET 60 CO -0.01 0.28 -0.75 -0.44 1.06 0.00 0.00 176.91 177.06 2dbf h ASP 61 N 0.15 0.40 0.21 1.22 3.32 -1.24 -2.79 116.42 117.69 2dbf h ASP 61 Ca 0.03 -0.27 -0.31 0.00 0.02 0.00 0.00 57.03 56.50 2dbf h ASP 61 Cb 0.31 -0.12 0.03 0.00 0.22 0.00 0.00 39.33 39.76 2dbf h ASP 61 CO 0.02 1.01 -1.45 0.78 -1.72 0.00 0.00 179.24 177.88 2dbf h ASN 62 N 0.22 0.70 -0.14 6.45 2.35 -0.50 -3.24 115.58 121.43 2dbf h ASN 62 Ca -0.03 -0.93 -0.00 0.00 -0.55 0.00 0.00 56.30 54.79 2dbf h ASN 62 Cb 1.32 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 2dbf h ASN 62 CO 0.12 1.68 0.08 0.22 -1.65 0.00 0.00 177.43 177.89 2dbf h TYR 63 N 0.02 0.20 0.05 1.19 3.20 -0.42 -1.46 116.97 119.75 2dbf h TYR 63 Ca -0.27 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 2dbf h TYR 63 Cb 2.04 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.25 2dbf h TYR 63 CO 0.13 0.14 -0.02 1.49 -1.64 0.00 0.00 178.16 178.26 2dbf h GLU 64 N 0.21 -0.06 0.00 1.82 4.81 -1.58 0.35 114.58 120.13 2dbf h GLU 64 Ca 0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2dbf h GLU 64 Cb 0.01 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2dbf h GLU 64 CO -0.01 0.35 -0.12 0.28 -0.73 0.00 0.00 179.01 178.78 2dbf h VAL 65 N -0.49 0.77 -0.84 0.32 2.07 -1.50 -2.27 116.25 114.31 2dbf h VAL 65 Ca -0.01 -0.46 -0.53 0.00 0.82 0.00 0.00 66.70 66.52 2dbf h VAL 65 Cb 0.44 1.27 -0.25 0.00 -1.52 0.00 0.00 31.29 31.23 2dbf h VAL 65 CO 0.01 0.12 0.68 -0.24 0.02 0.00 0.00 177.57 178.16 2dbf n SER 66 N -3.94 6.24 -2.75 0.57 2.88 -0.58 -4.88 113.62 111.16 2dbf n SER 66 Ca -0.02 -3.50 -0.03 0.00 -1.33 0.00 0.00 58.87 53.98 2dbf n SER 66 Cb 0.21 -0.94 0.02 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.63 -0.93 3.60 0.46 0.00 -0.87 -4.93 105.19 101.89 2dbf n GLY 67 Ca 0.52 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.93 1.32 0.06 -0.02 0.00 0.12 -4.55 107.32 101.32 2dbf s GLY 68 Ca 0.10 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.36 2dbf s GLY 68 CO 0.58 2.38 0.10 -1.59 0.00 0.00 0.00 173.10 174.57 2dbf s THR 69 N 4.37 4.70 0.23 0.90 2.01 -1.26 -1.34 115.64 125.24 2dbf s THR 69 Ca 0.47 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.94 2dbf s THR 69 Cb -0.08 -3.24 -0.08 0.00 0.01 0.00 0.00 72.50 69.11 2dbf s THR 69 CO 0.31 0.18 1.51 0.58 -0.69 0.00 0.00 174.62 176.51 2dbf h VAL 70 N 2.66 1.52 -0.76 3.82 2.07 -1.96 -2.97 116.25 120.64 2dbf h VAL 70 Ca -0.47 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 64.55 2dbf h VAL 70 Cb 1.17 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 2dbf h VAL 70 CO 0.66 0.71 0.48 0.03 0.02 0.00 0.00 177.57 179.48 2dbf h ARG 71 N 0.00 1.02 -0.01 1.57 3.08 -1.95 -0.10 114.38 117.98 2dbf h ARG 71 Ca -0.01 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 2dbf h ARG 71 Cb 1.29 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2dbf h ARG 71 CO 0.10 0.70 -0.68 0.93 -1.07 0.00 0.00 179.97 179.95 2dbf h GLU 72 N 1.03 0.07 -0.15 0.04 4.39 -1.99 -2.70 114.58 115.28 2dbf h GLU 72 Ca 0.27 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 2dbf h GLU 72 Cb -0.07 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2dbf h GLU 72 CO -0.06 0.72 -0.13 1.25 -1.16 0.00 0.00 179.01 179.63 2dbf h LEU 73 N 0.05 0.38 -1.22 1.33 5.85 -1.25 0.58 115.31 121.02 2dbf h LEU 73 Ca -0.01 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2dbf h LEU 73 Cb 1.21 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2dbf h LEU 73 CO 0.09 0.76 -0.05 0.58 -0.34 0.00 0.00 178.44 179.48 2dbf h VAL 74 N -0.01 1.20 0.01 1.05 2.07 -1.06 -1.53 116.25 117.99 2dbf h VAL 74 Ca 0.03 -0.84 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 2dbf h VAL 74 Cb 0.65 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2dbf h VAL 74 CO 0.03 0.28 -0.61 -0.33 0.02 0.00 0.00 177.57 176.96 2dbf h GLU 75 N 0.45 0.39 -0.55 1.57 5.08 -1.42 -2.90 114.58 117.20 2dbf h GLU 75 Ca 0.09 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2dbf h GLU 75 Cb 0.38 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2dbf h GLU 75 CO 0.02 1.11 0.35 0.00 -1.00 0.00 0.00 179.01 179.50 2dbf h ALA 76 N 0.29 0.69 -0.40 3.43 0.00 -0.74 -0.73 119.26 121.81 2dbf h ALA 76 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2dbf h ALA 76 Cb 1.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2dbf h ALA 76 CO 0.12 0.11 0.06 -0.07 0.00 0.00 0.00 179.25 179.47 2dbf h LEU 77 N 0.72 0.56 -0.74 0.00 3.38 -1.37 -2.28 115.31 115.58 2dbf h LEU 77 Ca 0.20 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2dbf h LEU 77 Cb -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2dbf h LEU 77 CO -0.06 0.59 -0.60 -0.09 0.09 0.00 0.00 178.44 178.37 2dbf h ARG 78 N 0.59 0.11 -0.07 1.13 2.43 -1.18 0.26 114.38 117.64 2dbf h ARG 78 Ca 0.13 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2dbf h ARG 78 Cb 0.28 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2dbf h ARG 78 CO 0.00 0.67 -0.28 1.96 -1.51 0.00 0.00 179.97 180.82 2dbf h GLN 79 N 0.08 0.13 0.02 0.20 4.20 -0.56 -2.88 115.11 116.29 2dbf h GLN 79 Ca -0.01 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.39 2dbf h GLN 79 Cb 1.08 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.81 2dbf h GLN 79 CO 0.08 0.41 -1.48 0.52 -0.67 0.00 0.00 178.83 177.70 2dbf h MET 80 N 0.12 0.04 0.00 1.46 2.86 -1.36 -3.48 114.93 114.57 2dbf h MET 80 Ca 0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2dbf h MET 80 Cb 0.56 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2dbf h MET 80 CO 0.04 0.75 0.00 0.41 1.06 0.00 0.00 176.91 179.17 2dbf n GLY 81 N 1.52 1.90 3.72 8.32 0.00 -0.71 -4.78 105.19 115.15 2dbf n GLY 81 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 3.69 -0.07 1.61 2.02 0.83 -4.93 117.35 118.50 2dbf s TYR 82 Ca 0.00 1.61 0.00 0.00 -0.37 0.00 0.00 57.07 58.32 2dbf s TYR 82 Cb 0.00 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 2dbf s TYR 82 CO 0.00 0.09 -0.06 2.41 -1.57 0.00 0.00 175.55 176.42 2dbf n THR 83 N 3.50 0.38 0.03 -0.71 -1.04 -1.26 -4.47 114.28 110.70 2dbf n THR 83 Ca 0.03 -0.14 -0.20 0.00 -2.04 0.00 0.00 64.05 61.70 2dbf n THR 83 Cb 0.51 -0.76 -0.10 0.00 -1.82 0.00 0.00 70.33 68.15 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 -0.01 0.70 -0.91 -2.82 4.22 -1.99 -2.84 114.58 110.93 2dbf h GLU 84 Ca -0.15 -0.74 0.01 0.00 0.08 0.00 0.00 59.36 58.56 2dbf h GLU 84 Cb 1.22 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 2dbf h GLU 84 CO -0.03 1.32 0.60 0.00 -2.18 0.00 0.00 179.01 178.72 2dbf h ALA 85 N 0.41 1.35 -0.03 2.92 0.00 -1.98 -1.83 119.26 120.11 2dbf h ALA 85 Ca -0.12 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2dbf h ALA 85 Cb 1.66 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2dbf h ALA 85 CO 0.20 0.60 -0.62 0.82 0.00 0.00 0.00 179.25 180.25 2dbf h ILE 86 N 1.23 1.42 -0.17 0.00 2.04 -1.78 -3.05 117.51 117.20 2dbf h ILE 86 Ca 0.33 -2.07 -0.11 0.00 1.00 0.00 0.00 64.86 64.01 2dbf h ILE 86 Cb -0.14 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2dbf h ILE 86 CO -0.07 0.60 -0.37 -0.33 0.00 0.00 0.00 178.15 177.98 2dbf h GLU 87 N 0.07 0.36 -0.65 2.37 5.08 -1.10 -1.43 114.58 119.27 2dbf h GLU 87 Ca -0.01 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2dbf h GLU 87 Cb 1.11 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2dbf h GLU 87 CO 0.09 0.68 0.10 0.28 -1.00 0.00 0.00 179.01 179.15 2dbf h VAL 88 N 0.30 1.26 -0.00 3.13 2.07 -1.26 -0.20 116.25 121.55 2dbf h VAL 88 Ca 0.03 -1.04 -0.25 0.00 0.82 0.00 0.00 66.70 66.26 2dbf h VAL 88 Cb 0.79 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2dbf h VAL 88 CO 0.06 0.39 -1.01 0.40 0.02 0.00 0.00 177.57 177.43 2dbf h ILE 89 N 1.01 1.32 -0.01 4.57 2.04 -1.51 -3.22 117.51 121.71 2dbf h ILE 89 Ca 0.20 -2.31 -0.09 0.00 1.00 0.00 0.00 64.86 63.66 2dbf h ILE 89 Cb 0.44 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2dbf h ILE 89 CO 0.01 0.71 -0.42 1.56 0.00 0.00 0.00 178.15 180.01 2dbf h GLN 90 N 0.34 0.02 -0.23 2.37 4.20 -1.15 0.83 115.11 121.49 2dbf h GLN 90 Ca -0.11 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.63 2dbf h GLN 90 Cb 1.66 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 2dbf h GLN 90 CO 0.19 0.44 0.16 0.00 -0.67 0.00 0.00 178.83 178.95 2dbf h ALA 91 N 1.56 2.06 0.00 3.87 0.00 -1.04 -3.30 119.26 122.41 2dbf h ALA 91 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2dbf h ALA 91 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2dbf h ALA 91 CO 0.06 -0.11 -1.09 0.00 0.00 0.00 0.00 179.25 178.11 2dbf n ALA 92 N -2.55 1.14 -2.15 0.00 0.00 -1.05 -4.94 120.51 110.97 2dbf n ALA 92 Ca 0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 2dbf n ALA 92 Cb 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 2dbf n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dbf s SER 93 N -6.09 6.78 0.43 0.00 0.01 0.26 -4.78 113.70 110.31 2dbf s SER 93 Ca -0.27 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.12 2dbf s SER 93 Cb 0.05 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2dbf s SER 93 CO 0.39 -0.80 0.00 -1.20 0.41 0.00 0.00 173.24 172.04 2dbf n SER 94 N 6.09 -8.71 0.00 2.44 7.64 -1.26 -4.46 113.62 115.36 2dbf n SER 94 Ca 0.15 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2dbf n SER 94 Cb 0.43 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 2dbf n SER 94 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dbf n SER 95 N -4.31 0.00 0.00 6.43 7.64 -1.26 -4.75 113.62 117.37 2dbf n SER 95 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2dbf n SER 95 Cb 0.67 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2dbf n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbf n GLY 96 N -1.07 -0.55 3.20 0.23 0.00 -1.26 -5.16 105.19 100.58 2dbf n GLY 96 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 2dbf n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dbf n PRO 97 N 0.00 -2.12 -3.88 1.61 -0.02 -1.26 -5.00 135.00 124.33 2dbf n PRO 97 Ca 0.00 -0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 60.56 2dbf n PRO 97 Cb 0.00 -1.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 2dbf n PRO 97 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2dbf s SER 98 N -1.99 4.36 0.03 2.55 0.01 -1.26 -4.81 113.70 112.58 2dbf s SER 98 Ca 0.52 -2.08 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2dbf s SER 98 Cb -0.10 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.84 2dbf s SER 98 CO 0.56 -0.37 0.00 -0.24 0.41 0.00 0.00 173.24 173.60 2dbf n SER 99 N 4.32 -0.28 0.00 2.44 2.88 -1.26 -5.32 113.62 116.40 2dbf n SER 99 Ca 0.02 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2dbf n SER 99 Cb 0.41 0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42