#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugo n SER 2 N 0.00 -6.49 -3.46 1.61 3.41 -1.26 -5.03 113.62 102.40 1ugo n SER 2 Ca 0.00 0.86 0.01 0.00 -0.26 0.00 0.00 58.87 59.47 1ugo n SER 2 Cb 0.00 -2.85 -0.05 0.00 -0.26 0.00 0.00 64.21 61.05 1ugo n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ugo s SER 3 N -0.92 -0.49 -0.33 4.04 0.01 -1.26 -5.03 113.70 109.72 1ugo s SER 3 Ca -0.03 0.70 -0.00 0.00 1.31 0.00 0.00 55.95 57.93 1ugo s SER 3 Cb 0.00 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1ugo s SER 3 CO 0.27 -0.10 0.31 0.61 0.41 0.00 0.00 173.24 174.74 1ugo n GLY 4 N 4.52 -0.73 3.57 3.44 0.00 -1.26 -5.08 105.19 109.65 1ugo n GLY 4 Ca -0.12 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ugo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugo s SER 5 N -2.43 -0.78 -0.30 1.61 0.01 -1.26 -5.16 113.70 105.39 1ugo s SER 5 Ca 0.00 1.37 -0.26 0.00 1.31 0.00 0.00 55.95 58.37 1ugo s SER 5 Cb -0.00 1.32 0.20 0.00 0.21 0.00 0.00 66.02 67.75 1ugo s SER 5 CO 0.34 -0.23 1.46 -0.94 0.41 0.00 0.00 173.24 174.28 1ugo s SER 6 N 0.94 -0.01 0.00 2.44 1.04 -1.26 -5.10 113.70 111.76 1ugo s SER 6 Ca -0.05 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1ugo s SER 6 Cb -0.05 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1ugo s SER 6 CO -0.08 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1ugo n GLY 7 N 1.20 -0.86 3.21 7.32 0.00 -1.26 -5.12 105.19 109.67 1ugo n GLY 7 Ca -0.07 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1ugo n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ugo s MET 8 N -0.69 0.97 -0.22 1.61 1.00 -1.26 -5.16 119.30 115.55 1ugo s MET 8 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 55.69 53.96 1ugo s MET 8 Cb 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 34.83 34.68 1ugo s MET 8 CO 0.00 -0.04 1.19 0.16 0.00 0.00 0.00 175.02 176.33 1ugo s ASP 9 N -3.11 -0.19 0.22 3.03 -4.77 -1.26 -5.09 116.67 105.50 1ugo s ASP 9 Ca 0.17 0.19 0.00 0.00 -3.30 0.00 0.00 52.55 49.61 1ugo s ASP 9 Cb 0.05 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 42.04 1ugo s ASP 9 CO -0.01 -0.18 0.00 0.80 0.70 0.00 0.00 175.17 176.48 1ugo n MET 10 N 0.56 0.00 -2.69 2.11 1.56 -1.26 -5.07 117.12 112.33 1ugo n MET 10 Ca -0.04 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.29 1ugo n MET 10 Cb 0.58 0.00 0.04 0.00 2.15 0.00 0.00 33.22 36.00 1ugo n MET 10 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ugo n GLY 11 N -1.22 -0.53 3.15 -5.12 0.00 -1.26 -5.04 105.19 95.17 1ugo n GLY 11 Ca 0.00 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.39 1ugo n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ugo s ASN 12 N -3.23 -0.00 -0.22 1.61 3.84 -1.26 -5.07 114.94 110.61 1ugo s ASN 12 Ca 0.29 0.00 0.03 0.00 0.21 0.00 0.00 52.86 53.40 1ugo s ASN 12 Cb -0.04 1.00 0.12 0.00 -0.55 0.00 0.00 41.25 41.79 1ugo s ASN 12 CO 0.51 -0.00 0.97 0.00 -2.79 0.00 0.00 177.10 175.79 1ugo n GLN 13 N 5.32 0.39 -1.62 0.43 10.64 -1.26 -5.13 117.38 126.14 1ugo n GLN 13 Ca -0.09 -0.65 0.00 0.00 -1.83 0.00 0.00 57.00 54.42 1ugo n GLN 13 Cb 0.55 0.06 0.00 0.00 -0.86 0.00 0.00 30.24 29.99 1ugo n GLN 13 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1ugo n HIS 14 N -0.51 -4.49 0.15 2.61 -0.00 -1.26 -3.15 115.22 108.57 1ugo n HIS 14 Ca -0.15 2.39 0.02 0.00 -0.00 0.00 0.00 57.72 59.99 1ugo n HIS 14 Cb 0.65 -3.58 0.18 0.00 -0.00 0.00 0.00 29.99 27.24 1ugo n HIS 14 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ugo h PRO 15 N 1.68 0.00 0.10 1.57 0.13 -2.00 -1.40 132.00 132.07 1ugo h PRO 15 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1ugo h PRO 15 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1ugo h PRO 15 CO 0.00 0.52 -0.89 0.77 -0.23 0.00 0.00 178.00 178.17 1ugo h SER 16 N 0.00 0.62 0.12 1.44 0.02 -1.91 -2.69 113.55 111.15 1ugo h SER 16 Ca -0.01 -0.85 -0.01 0.00 -0.84 0.00 0.00 61.79 60.08 1ugo h SER 16 Cb 1.16 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1ugo h SER 16 CO 0.07 1.41 -0.06 0.40 -1.14 0.00 0.00 176.83 177.51 1ugo h ILE 17 N -0.09 1.02 -0.00 3.27 1.08 -1.72 0.78 117.51 121.86 1ugo h ILE 17 Ca -0.14 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1ugo h ILE 17 Cb 1.63 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 36.75 1ugo h ILE 17 CO 0.17 0.13 0.06 -1.28 -0.69 0.00 0.00 178.15 176.54 1ugo h SER 18 N -0.41 0.00 0.00 1.72 0.87 -1.20 0.14 113.55 114.66 1ugo h SER 18 Ca -0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1ugo h SER 18 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1ugo h SER 18 CO 0.03 0.00 -0.29 -0.09 -0.53 0.00 0.00 176.83 175.95 1ugo h ARG 19 N 0.00 0.00 -0.98 2.24 9.65 -1.03 -3.21 114.38 121.05 1ugo h ARG 19 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1ugo h ARG 19 Cb 0.12 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 1ugo h ARG 19 CO -0.00 0.71 0.64 -0.07 2.80 0.00 0.00 179.97 184.05 1ugo h LEU 20 N -1.00 1.05 -1.60 3.80 3.38 -0.16 0.39 115.31 121.16 1ugo h LEU 20 Ca -0.07 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.00 1ugo h LEU 20 Cb 0.81 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1ugo h LEU 20 CO -0.04 0.70 0.42 1.56 0.09 0.00 0.00 178.44 181.17 1ugo h GLN 21 N 1.21 0.43 0.12 1.13 4.20 -0.89 0.84 115.11 122.16 1ugo h GLN 21 Ca 0.40 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.80 1ugo h GLN 21 Cb 0.05 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 27.76 1ugo h GLN 21 CO -0.14 0.29 -1.23 0.93 -0.67 0.00 0.00 178.83 178.01 1ugo h GLU 22 N 0.45 0.52 -0.43 1.46 4.39 -1.00 -2.45 114.58 117.51 1ugo h GLU 22 Ca 0.29 -0.72 -0.11 0.00 0.34 0.00 0.00 59.36 59.15 1ugo h GLU 22 Cb 0.54 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1ugo h GLU 22 CO -0.08 1.32 -0.18 0.82 -1.16 0.00 0.00 179.01 179.73 1ugo h ILE 23 N 0.22 1.28 0.37 3.13 2.04 0.41 -2.02 117.51 122.94 1ugo h ILE 23 Ca -0.17 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1ugo h ILE 23 Cb 1.91 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1ugo h ILE 23 CO 0.23 0.45 -0.18 1.56 0.00 0.00 0.00 178.15 180.20 1ugo h GLN 24 N 0.71 -0.48 -0.71 2.37 4.20 0.58 0.66 115.11 122.44 1ugo h GLN 24 Ca 0.10 0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.05 1ugo h GLN 24 Cb 0.74 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1ugo h GLN 24 CO 0.06 -0.32 0.75 0.07 -0.67 0.00 0.00 178.83 178.71 1ugo h ARG 25 N -0.54 0.00 0.24 1.46 0.11 -1.51 0.95 114.38 115.09 1ugo h ARG 25 Ca -0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 1ugo h ARG 25 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1ugo h ARG 25 CO 0.08 0.00 -0.12 0.93 0.10 0.00 0.00 179.97 180.97 1ugo h GLU 26 N 0.00 -0.31 -0.90 0.08 4.39 -0.92 -2.83 114.58 114.09 1ugo h GLU 26 Ca 0.34 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.08 1ugo h GLU 26 Cb 1.83 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.50 1ugo h GLU 26 CO -0.00 -0.21 0.59 -0.39 -1.16 0.00 0.00 179.01 177.84 1ugo h VAL 27 N -0.84 1.18 -0.76 3.13 -1.51 0.69 0.05 116.25 118.20 1ugo h VAL 27 Ca -0.03 -0.40 0.15 0.00 -1.23 0.00 0.00 66.70 65.19 1ugo h VAL 27 Cb 0.25 -0.08 -0.05 0.00 -2.13 0.00 0.00 31.29 29.28 1ugo h VAL 27 CO 0.05 0.21 0.51 0.11 -1.23 0.00 0.00 177.57 177.22 1ugo h LYS 28 N 1.16 0.43 0.00 5.19 1.79 0.76 1.60 116.57 127.50 1ugo h LYS 28 Ca 0.35 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1ugo h LYS 28 Cb -0.04 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1ugo h LYS 28 CO -0.10 0.28 0.00 0.00 -1.08 0.00 0.00 179.45 178.56 1ugo n ALA 29 N -2.51 2.22 0.26 3.86 0.00 -0.00 -1.73 120.51 122.61 1ugo n ALA 29 Ca 0.14 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1ugo n ALA 29 Cb 0.51 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 1ugo n ALA 29 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ugo n ILE 30 N -1.12 0.00 -0.23 0.00 -6.64 0.53 -4.44 119.36 107.46 1ugo n ILE 30 Ca 0.14 -0.25 0.01 0.00 -1.77 0.00 0.00 62.75 60.88 1ugo n ILE 30 Cb 0.11 0.69 0.13 0.00 -1.44 0.00 0.00 39.64 39.14 1ugo n ILE 30 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 1ugo h GLU 31 N 0.00 0.49 0.00 6.28 4.81 -0.26 -0.02 114.58 125.88 1ugo h GLU 31 Ca 0.00 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1ugo h GLU 31 Cb 0.32 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1ugo h GLU 31 CO 0.00 0.32 -0.59 -1.00 -0.73 0.00 0.00 179.01 177.02 1ugo h PRO 32 N 0.50 0.00 0.00 0.92 0.13 -1.80 -2.05 132.00 129.70 1ugo h PRO 32 Ca 0.34 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1ugo h PRO 32 Cb 0.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 1ugo h PRO 32 CO -0.30 0.59 -0.01 1.96 -0.23 0.00 0.00 178.00 180.00 1ugo h GLN 33 N 0.00 0.00 0.05 0.86 4.20 -1.27 0.51 115.11 119.46 1ugo h GLN 33 Ca -0.01 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 1ugo h GLN 33 Cb 1.20 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 1ugo h GLN 33 CO 0.08 0.01 -2.02 0.28 -0.67 0.00 0.00 178.83 176.51 1ugo n VAL 34 N -3.12 1.62 -0.22 -0.54 0.31 -0.51 -2.83 118.33 113.03 1ugo n VAL 34 Ca -0.00 -0.44 -0.08 0.00 -0.01 0.00 0.00 64.34 63.80 1ugo n VAL 34 Cb 0.25 -1.76 0.03 0.00 -0.91 0.00 0.00 33.84 31.45 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ugo h VAL 35 N -0.38 1.26 -0.67 2.52 2.07 -1.20 -2.37 116.25 117.49 1ugo h VAL 35 Ca -0.49 -1.05 -0.16 0.00 0.82 0.00 0.00 66.70 65.82 1ugo h VAL 35 Cb 1.76 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 32.14 1ugo h VAL 35 CO -0.11 0.39 0.21 0.61 0.02 0.00 0.00 177.57 178.69 1ugo n GLY 36 N -0.53 3.37 3.80 2.17 0.00 0.18 -4.97 105.19 109.20 1ugo n GLY 36 Ca 0.04 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1ugo n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ugo s PHE 37 N -2.78 2.97 -0.43 1.61 5.36 -0.89 -4.92 117.98 118.88 1ugo s PHE 37 Ca 0.52 1.53 0.06 0.00 -0.96 0.00 0.00 56.93 58.08 1ugo s PHE 37 Cb 0.41 -3.05 0.18 0.00 -0.34 0.00 0.00 43.02 40.22 1ugo s PHE 37 CO 0.13 -1.06 0.55 -1.12 -1.46 0.00 0.00 175.22 172.26 1ugo s SER 38 N -2.46 -0.39 0.00 6.13 0.01 -1.26 -4.81 113.70 110.92 1ugo s SER 38 Ca 0.65 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1ugo s SER 38 Cb -0.17 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.32 1ugo s SER 38 CO 0.31 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1ugo n GLY 39 N 3.72 1.40 3.15 3.44 0.00 -1.11 -5.07 105.19 110.72 1ugo n GLY 39 Ca 0.16 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1ugo n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugo n LEU 40 N 0.00 -1.59 0.22 0.99 4.77 -1.25 -4.00 117.00 116.14 1ugo n LEU 40 Ca 0.00 -0.36 0.16 0.00 -0.03 0.00 0.00 56.01 55.78 1ugo n LEU 40 Cb 0.00 -0.88 0.73 0.00 -2.33 0.00 0.00 43.42 40.94 1ugo n LEU 40 CO 0.00 -3.38 0.96 0.77 -1.33 0.00 0.00 177.39 174.41 1ugo h SER 41 N -2.61 0.00 -2.32 -1.43 4.64 -1.87 -3.25 113.55 106.70 1ugo h SER 41 Ca -0.39 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.35 1ugo h SER 41 Cb 1.08 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.78 1ugo h SER 41 CO 0.26 0.00 -0.97 -0.90 -0.87 0.00 0.00 176.83 174.35 1ugo n ASP 42 N -2.64 0.09 -4.71 4.97 5.75 -1.26 -4.82 116.55 113.92 1ugo n ASP 42 Ca -0.00 -2.55 -0.33 0.00 -0.01 0.00 0.00 54.79 51.90 1ugo n ASP 42 Cb 0.16 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 39.58 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ugo s ASP 43 N -0.45 4.03 -1.46 -1.12 2.15 -1.23 -5.02 116.67 113.57 1ugo s ASP 43 Ca 0.33 -1.67 -0.14 0.00 0.43 0.00 0.00 52.55 51.50 1ugo s ASP 43 Cb 0.07 0.57 0.01 0.00 -0.30 0.00 0.00 42.92 43.26 1ugo s ASP 43 CO -0.17 -0.88 2.35 0.29 -0.17 0.00 0.00 175.17 176.59 1ugo n LYS 44 N -1.25 2.94 0.00 4.34 5.02 -1.26 -3.24 118.16 124.71 1ugo n LYS 44 Ca -0.19 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 1ugo n LYS 44 Cb 0.67 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 1ugo n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ugo n ASN 45 N 5.68 0.00 -0.32 4.39 4.13 -1.26 -4.97 115.26 122.90 1ugo n ASN 45 Ca 0.57 0.00 0.18 0.00 1.68 0.00 0.00 54.58 57.01 1ugo n ASN 45 Cb 0.36 0.00 0.36 0.00 -1.54 0.00 0.00 39.78 38.96 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1ugo h TYR 46 N 0.00 0.34 -0.28 3.10 5.03 -1.85 0.74 116.97 124.05 1ugo h TYR 46 Ca 0.00 0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1ugo h TYR 46 Cb 0.00 0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.23 1ugo h TYR 46 CO 0.00 -0.35 -0.42 0.87 -1.32 0.00 0.00 178.16 176.94 1ugo h LYS 47 N 0.10 -0.31 0.00 1.82 6.56 -1.88 0.12 116.57 122.98 1ugo h LYS 47 Ca 0.64 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.25 1ugo h LYS 47 Cb 1.43 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 33.16 1ugo h LYS 47 CO -0.78 -0.20 0.00 -2.13 -2.06 0.00 0.00 179.45 174.28 1ugo n ARG 48 N -4.71 0.00 -0.21 3.15 0.63 0.25 0.20 116.66 115.97 1ugo n ARG 48 Ca -0.03 0.70 -0.05 0.00 -0.92 0.00 0.00 57.85 57.55 1ugo n ARG 48 Cb 0.26 -1.17 -0.05 0.00 0.45 0.00 0.00 32.46 31.95 1ugo n ARG 48 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ugo n LEU 49 N -1.92 -0.53 -0.03 6.15 4.32 -1.08 0.17 117.00 124.09 1ugo n LEU 49 Ca 0.00 1.35 -0.02 0.00 -0.02 0.00 0.00 56.01 57.32 1ugo n LEU 49 Cb 0.00 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.44 1ugo n LEU 49 CO 0.00 -0.95 0.50 -0.08 -1.22 0.00 0.00 177.39 175.64 1ugo h GLU 50 N 0.00 -0.06 -0.84 3.23 4.81 0.21 0.52 114.58 122.45 1ugo h GLU 50 Ca 0.08 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.52 1ugo h GLU 50 Cb 0.20 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.45 1ugo h GLU 50 CO -0.47 -0.04 0.02 0.00 -0.73 0.00 0.00 179.01 177.80 1ugo h ARG 51 N -0.06 0.08 -0.43 1.92 2.47 0.33 1.14 114.38 119.84 1ugo h ARG 51 Ca 0.01 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.79 1ugo h ARG 51 Cb 0.09 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.34 1ugo h ARG 51 CO -0.10 0.06 0.11 0.82 0.56 0.00 0.00 179.97 181.42 1ugo h ILE 52 N 0.09 0.81 -0.35 2.04 2.04 0.35 1.57 117.51 124.05 1ugo h ILE 52 Ca 0.48 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 66.20 1ugo h ILE 52 Cb 0.90 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1ugo h ILE 52 CO -0.75 0.05 0.02 -0.07 0.00 0.00 0.00 178.15 177.40 1ugo h LEU 53 N 0.25 0.59 -1.29 1.44 3.38 0.52 0.53 115.31 120.74 1ugo h LEU 53 Ca 0.20 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ugo h LEU 53 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ugo h LEU 53 CO -0.24 0.74 0.05 0.00 0.09 0.00 0.00 178.44 179.07 1ugo h THR 54 N 0.43 1.18 0.13 0.22 1.03 0.19 1.09 112.91 117.19 1ugo h THR 54 Ca 0.10 -0.68 -0.01 0.00 -0.01 0.00 0.00 66.41 65.81 1ugo h THR 54 Cb 0.42 0.86 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1ugo h THR 54 CO 0.01 0.24 -0.06 0.11 -0.01 0.00 0.00 175.52 175.81 1ugo h LYS 55 N 0.52 -0.17 -0.58 0.00 6.56 0.26 -2.33 116.57 120.83 1ugo h LYS 55 Ca 0.12 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.73 1ugo h LYS 55 Cb 0.26 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 1ugo h LYS 55 CO 0.00 0.28 0.38 1.96 -2.06 0.00 0.00 179.45 180.01 1ugo h GLN 56 N -0.91 0.75 0.20 3.15 1.08 0.19 -2.67 115.11 116.91 1ugo h GLN 56 Ca -0.02 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1ugo h GLN 56 Cb 0.52 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1ugo h GLN 56 CO 0.03 0.50 -0.37 1.25 -0.95 0.00 0.00 178.83 179.28 1ugo h LEU 57 N 0.78 -1.07 -1.80 1.46 7.12 0.12 0.97 115.31 122.88 1ugo h LEU 57 Ca 0.21 0.11 0.26 0.00 0.13 0.00 0.00 57.88 58.60 1ugo h LEU 57 Cb -0.08 0.39 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 1ugo h LEU 57 CO -0.05 -0.48 0.80 0.15 -0.13 0.00 0.00 178.44 178.74 1ugo h PHE 58 N -0.66 0.00 0.02 1.25 3.57 -1.15 1.53 116.94 121.50 1ugo h PHE 58 Ca 0.01 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.30 1ugo h PHE 58 Cb 0.65 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1ugo h PHE 58 CO -0.29 0.00 -1.00 0.93 -2.23 0.00 0.00 178.31 175.72 1ugo h GLU 59 N 0.00 0.05 -0.49 1.11 4.39 -0.53 -2.75 114.58 116.37 1ugo h GLU 59 Ca 0.43 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 1ugo h GLU 59 Cb 2.03 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.69 1ugo h GLU 59 CO -0.00 1.00 0.20 0.82 -1.16 0.00 0.00 179.01 179.86 1ugo h ILE 60 N 0.02 1.21 0.00 3.13 2.04 0.34 0.15 117.51 124.40 1ugo h ILE 60 Ca -0.03 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1ugo h ILE 60 Cb 1.73 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1ugo h ILE 60 CO 0.14 0.24 -0.19 -0.78 0.00 0.00 0.00 178.15 177.55 1ugo h ASP 61 N 0.65 0.00 0.75 1.72 3.58 -1.46 -2.57 116.42 119.08 1ugo h ASP 61 Ca 0.16 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.41 1ugo h ASP 61 Cb 0.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1ugo h ASP 61 CO -0.01 0.19 -0.92 -1.28 -2.88 0.00 0.00 179.24 174.34 1ugo h SER 62 N 0.00 0.14 -2.35 2.28 0.87 -0.97 -3.43 113.55 110.09 1ugo h SER 62 Ca -0.00 -0.12 -0.58 0.00 -1.23 0.00 0.00 61.79 59.86 1ugo h SER 62 Cb 0.71 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1ugo h SER 62 CO 0.03 0.98 1.36 -0.69 -0.53 0.00 0.00 176.83 177.97 1ugo s VAL 63 N -3.03 3.25 0.49 2.23 1.01 0.44 -4.95 120.40 119.84 1ugo s VAL 63 Ca -0.01 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1ugo s VAL 63 Cb 0.10 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1ugo s VAL 63 CO 0.82 -0.18 1.04 -0.62 0.00 0.00 0.00 175.10 176.16 1ugo s ASP 64 N 6.81 6.30 -0.06 3.32 2.15 -1.26 -4.97 116.67 128.96 1ugo s ASP 64 Ca 0.89 1.92 0.01 0.00 0.43 0.00 0.00 52.55 55.81 1ugo s ASP 64 Cb -0.29 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.73 1ugo s ASP 64 CO 0.34 -0.81 -0.04 0.35 -0.17 0.00 0.00 175.17 174.84 1ugo n THR 65 N -1.05 0.33 -3.51 1.71 -2.24 -1.26 -4.91 114.28 103.36 1ugo n THR 65 Ca 0.09 -0.14 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 1ugo n THR 65 Cb 0.53 -0.74 0.08 0.00 -2.10 0.00 0.00 70.33 68.09 1ugo n THR 65 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ugo n GLU 66 N -2.57 -7.33 -3.92 -0.78 2.13 -1.26 -3.16 120.64 103.74 1ugo n GLU 66 Ca -0.10 0.79 -0.34 0.00 0.66 0.00 0.00 57.16 58.18 1ugo n GLU 66 Cb 0.62 -5.72 0.01 0.00 0.27 0.00 0.00 31.44 26.62 1ugo n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ugo n GLY 67 N -1.77 -1.12 0.04 8.31 0.00 -1.26 -4.87 105.19 104.52 1ugo n GLY 67 Ca -0.05 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.41 1ugo n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ugo n LYS 68 N -3.63 1.16 0.00 1.61 5.02 -1.19 -5.05 118.16 116.09 1ugo n LYS 68 Ca -0.24 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1ugo n LYS 68 Cb 0.64 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 1ugo n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ugo n GLY 69 N 2.90 2.51 0.35 0.72 0.00 -1.26 -4.78 105.19 105.62 1ugo n GLY 69 Ca -0.14 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.34 1ugo n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ugo h ASP 70 N 0.00 -0.89 0.00 1.61 3.32 -1.96 1.40 116.42 119.89 1ugo h ASP 70 Ca 0.00 0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1ugo h ASP 70 Cb 0.00 0.60 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ugo h ASP 70 CO 0.00 -0.33 -0.10 0.40 -1.72 0.00 0.00 179.24 177.49 1ugo h ILE 71 N 0.00 1.01 -1.00 0.35 2.04 -1.90 -3.14 117.51 114.87 1ugo h ILE 71 Ca 0.48 -1.79 0.40 0.00 1.00 0.00 0.00 64.86 64.95 1ugo h ILE 71 Cb 0.74 1.94 -0.17 0.00 -0.74 0.00 0.00 36.82 38.59 1ugo h ILE 71 CO -1.01 0.34 0.54 -0.61 0.00 0.00 0.00 178.15 177.42 1ugo h GLN 72 N -1.00 0.06 0.03 2.37 4.15 -1.53 1.18 115.11 120.36 1ugo h GLN 72 Ca -0.02 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1ugo h GLN 72 Cb 0.64 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1ugo h GLN 72 CO -0.01 0.04 -0.01 1.96 -1.93 0.00 0.00 178.83 178.87 1ugo h GLN 73 N 0.06 -0.04 0.43 1.69 4.20 0.17 -1.73 115.11 119.90 1ugo h GLN 73 Ca 0.83 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.52 1ugo h GLN 73 Cb 2.14 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.93 1ugo h GLN 73 CO -0.74 0.28 -0.21 0.00 -0.67 0.00 0.00 178.83 177.49 1ugo h ALA 74 N 0.60 -0.89 -0.47 3.87 0.00 0.75 0.66 119.26 123.77 1ugo h ALA 74 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ugo h ALA 74 Cb 0.34 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1ugo h ALA 74 CO 0.01 -0.85 -0.28 -2.13 0.00 0.00 0.00 179.25 176.00 1ugo n ARG 75 N -4.00 -0.21 -0.34 0.00 0.63 0.33 0.15 116.66 113.22 1ugo n ARG 75 Ca -0.07 1.14 0.08 0.00 -0.92 0.00 0.00 57.85 58.08 1ugo n ARG 75 Cb 0.23 -1.69 0.25 0.00 0.45 0.00 0.00 32.46 31.71 1ugo n ARG 75 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1ugo h LYS 76 N 0.00 0.83 0.00 -0.14 2.10 -1.39 1.09 116.57 119.06 1ugo h LYS 76 Ca 0.08 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1ugo h LYS 76 Cb 0.19 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1ugo h LYS 76 CO -0.45 0.55 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 1ugo h ARG 77 N 0.86 0.00 0.00 0.07 2.47 0.39 -0.84 114.38 117.33 1ugo h ARG 77 Ca 0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1ugo h ARG 77 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1ugo h ARG 77 CO -0.31 0.00 -1.66 0.00 0.56 0.00 0.00 179.97 178.56 1ugo n ALA 78 N -1.99 3.14 0.09 0.04 0.00 0.37 -3.08 120.51 119.08 1ugo n ALA 78 Ca -0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 53.44 52.87 1ugo n ALA 78 Cb 0.20 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 18.86 1ugo n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ugo h ALA 79 N 2.20 0.61 0.05 0.00 0.00 0.15 -2.68 119.26 119.59 1ugo h ALA 79 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 54.91 53.92 1ugo h ALA 79 Cb 0.90 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1ugo h ALA 79 CO 0.00 0.90 -1.63 1.96 0.00 0.00 0.00 179.25 180.47 1ugo h GLN 80 N 0.10 0.11 0.19 0.00 4.20 -1.56 -3.18 115.11 114.97 1ugo h GLN 80 Ca -0.03 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1ugo h GLN 80 Cb 1.42 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 1ugo h GLN 80 CO 0.12 0.83 -0.11 0.93 -0.67 0.00 0.00 178.83 179.93 1ugo h GLU 81 N 0.03 -0.28 0.06 1.46 5.08 -1.56 1.28 114.58 120.65 1ugo h GLU 81 Ca -0.27 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1ugo h GLU 81 Cb 1.99 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1ugo h GLU 81 CO 0.11 -0.18 -0.03 1.15 -1.00 0.00 0.00 179.01 179.05 1ugo h THR 82 N -0.29 0.93 -0.25 1.13 2.02 -1.63 -1.94 112.91 112.88 1ugo h THR 82 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1ugo h THR 82 Cb 0.23 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1ugo h THR 82 CO 0.03 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.73 1ugo h GLU 83 N -0.09 0.34 -0.66 6.66 4.39 -1.50 -0.34 114.58 123.39 1ugo h GLU 83 Ca -0.01 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.80 1ugo h GLU 83 Cb 0.07 -0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 28.53 1ugo h GLU 83 CO 0.01 0.29 -0.12 -0.09 -1.16 0.00 0.00 179.01 177.93 1ugo h ARG 84 N 0.30 0.02 -0.42 2.33 9.65 0.19 0.29 114.38 126.75 1ugo h ARG 84 Ca 0.09 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.91 1ugo h ARG 84 Cb 0.04 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 1ugo h ARG 84 CO -0.02 0.02 0.04 -0.07 2.80 0.00 0.00 179.97 182.74 1ugo h LEU 85 N 0.02 0.70 -0.78 3.80 -0.00 -1.04 -2.59 115.31 115.42 1ugo h LEU 85 Ca 0.33 -0.28 0.15 0.00 -0.00 0.00 0.00 57.88 58.08 1ugo h LEU 85 Cb 0.51 -0.19 -0.10 0.00 -0.00 0.00 0.00 40.66 40.89 1ugo h LEU 85 CO -0.66 0.81 0.32 -0.07 -0.00 0.00 0.00 178.44 178.84 1ugo h LEU 86 N 0.56 0.30 0.79 1.67 3.38 0.11 0.17 115.31 122.30 1ugo h LEU 86 Ca 0.12 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ugo h LEU 86 Cb 0.43 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ugo h LEU 86 CO 0.01 0.10 -0.48 0.11 0.09 0.00 0.00 178.44 178.28 1ugo h LYS 87 N 0.45 -1.14 -0.63 1.13 1.57 -0.24 -2.73 116.57 114.97 1ugo h LYS 87 Ca 0.44 0.08 0.13 0.00 -1.87 0.00 0.00 60.65 59.42 1ugo h LYS 87 Cb 0.69 0.26 -0.12 0.00 0.08 0.00 0.00 32.23 33.14 1ugo h LYS 87 CO -0.42 -0.76 -0.14 0.93 -0.57 0.00 0.00 179.45 178.48 1ugo h GLU 88 N -1.19 0.01 0.00 3.15 4.39 -0.91 -2.29 114.58 117.74 1ugo h GLU 88 Ca -0.11 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ugo h GLU 88 Cb 0.95 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1ugo h GLU 88 CO 0.11 0.01 0.00 -0.11 -1.16 0.00 0.00 179.01 177.86 1ugo n LEU 89 N -5.42 0.00 -0.32 1.33 7.94 0.49 0.19 117.00 121.22 1ugo n LEU 89 Ca 0.08 0.92 0.30 0.00 -1.11 0.00 0.00 56.01 56.19 1ugo n LEU 89 Cb 0.33 -0.42 0.56 0.00 0.53 0.00 0.00 43.42 44.42 1ugo n LEU 89 CO 0.05 -0.42 1.02 -0.62 -1.11 0.00 0.00 177.39 176.32 1ugo n GLU 90 N -2.64 -0.06 0.13 1.96 1.02 -0.90 0.18 120.64 120.33 1ugo n GLU 90 Ca 0.00 1.38 -0.06 0.00 -0.02 0.00 0.00 57.16 58.46 1ugo n GLU 90 Cb 0.00 -2.44 -0.03 0.00 -0.02 0.00 0.00 31.44 28.95 1ugo n GLU 90 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ugo h GLN 91 N 0.00 -0.35 -0.43 3.49 4.20 0.83 -3.09 115.11 119.77 1ugo h GLN 91 Ca 0.82 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.67 1ugo h GLN 91 Cb 2.13 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.97 1ugo h GLN 91 CO -0.78 -0.24 0.55 -0.91 -0.67 0.00 0.00 178.83 176.78 1ugo h ASN 92 N -0.62 0.00 0.00 1.46 2.35 0.42 -2.58 115.58 116.61 1ugo h ASN 92 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ugo h ASN 92 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1ugo h ASN 92 CO 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1ugo n ALA 93 N -2.24 -0.02 0.00 -0.83 0.00 0.47 -4.52 120.51 113.37 1ugo n ALA 93 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ugo n ALA 93 Cb 0.72 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1ugo n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ugo n SER 94 N -2.51 0.00 -4.91 0.00 2.88 -0.97 -2.74 113.62 105.37 1ugo n SER 94 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1ugo n SER 94 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1ugo n SER 94 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ugo s GLY 95 N -0.71 1.61 -0.04 0.46 0.00 -1.26 -5.02 107.32 102.35 1ugo s GLY 95 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 44.72 43.89 1ugo s GLY 95 CO 0.00 -0.46 1.07 -0.56 0.00 0.00 0.00 173.10 173.14 1ugo h PRO 96 N 0.88 0.18 -5.59 2.90 0.13 -1.88 -3.39 132.00 125.24 1ugo h PRO 96 Ca -0.48 -0.18 -0.09 0.00 -0.87 0.00 0.00 66.00 64.38 1ugo h PRO 96 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ugo h PRO 96 CO 0.63 0.88 -0.65 0.43 -0.23 0.00 0.00 178.00 179.06 1ugo n SER 97 N -4.53 -7.37 -4.40 1.44 7.64 -1.26 -4.75 113.62 100.38 1ugo n SER 97 Ca -0.09 0.35 -0.40 0.00 1.01 0.00 0.00 58.87 59.73 1ugo n SER 97 Cb 0.48 -4.52 -0.11 0.00 -1.01 0.00 0.00 64.21 59.05 1ugo n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugo s SER 98 N -2.37 5.70 0.00 6.43 0.15 -1.26 -5.02 113.70 117.33 1ugo s SER 98 Ca 0.27 -0.82 0.27 0.00 0.70 0.00 0.00 55.95 56.36 1ugo s SER 98 Cb -0.06 -2.03 0.76 0.00 -1.71 0.00 0.00 66.02 62.99 1ugo s SER 98 CO 0.80 -0.32 1.58 0.61 1.20 0.00 0.00 173.24 177.11