#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugo s SER 2 N 0.00 -0.64 -0.35 1.61 0.01 -1.26 -5.04 113.70 108.03 1ugo s SER 2 Ca 0.00 0.69 -0.07 0.00 1.31 0.00 0.00 55.95 57.88 1ugo s SER 2 Cb 0.00 0.53 0.01 0.00 0.21 0.00 0.00 66.02 66.77 1ugo s SER 2 CO 0.00 -0.60 0.26 -0.24 0.41 0.00 0.00 173.24 173.07 1ugo n SER 3 N 0.93 -7.78 -3.60 2.44 2.88 -1.26 -5.02 113.62 102.21 1ugo n SER 3 Ca -0.19 0.99 -0.29 0.00 -1.33 0.00 0.00 58.87 58.05 1ugo n SER 3 Cb 0.57 -5.21 -0.13 0.00 -0.75 0.00 0.00 64.21 58.69 1ugo n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ugo s GLY 4 N -2.02 1.17 -0.03 0.46 0.00 -1.26 -5.10 107.32 100.54 1ugo s GLY 4 Ca 0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 44.72 42.76 1ugo s GLY 4 CO 0.75 1.81 0.07 -0.56 0.00 0.00 0.00 173.10 175.17 1ugo s SER 5 N 0.95 -0.04 -0.56 1.64 0.01 -1.26 -5.10 113.70 109.34 1ugo s SER 5 Ca 0.16 0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.28 1ugo s SER 5 Cb -0.22 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 1ugo s SER 5 CO -0.06 -0.06 1.59 -0.44 0.41 0.00 0.00 173.24 174.68 1ugo s SER 6 N 0.41 5.84 -0.29 2.44 0.01 -1.26 -4.88 113.70 115.97 1ugo s SER 6 Ca -0.03 0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1ugo s SER 6 Cb -0.05 -2.54 0.20 0.00 0.21 0.00 0.00 66.02 63.84 1ugo s SER 6 CO -0.01 -1.92 0.67 -0.83 0.41 0.00 0.00 173.24 171.56 1ugo s GLY 7 N 5.71 -1.18 -0.16 3.44 0.00 -1.26 -5.15 107.32 108.73 1ugo s GLY 7 Ca 0.59 1.33 -0.07 0.00 0.00 0.00 0.00 44.72 46.57 1ugo s GLY 7 CO 0.24 3.73 0.07 1.06 0.00 0.00 0.00 173.10 178.20 1ugo s MET 8 N 2.85 3.77 -0.29 2.90 1.00 -1.26 -5.06 119.30 123.22 1ugo s MET 8 Ca 0.13 -0.30 0.02 0.00 0.00 0.00 0.00 55.69 55.54 1ugo s MET 8 Cb -0.09 -3.17 0.16 0.00 0.00 0.00 0.00 34.83 31.73 1ugo s MET 8 CO -0.25 0.42 0.42 -0.51 0.00 0.00 0.00 175.02 175.11 1ugo s ASP 9 N -0.04 0.20 0.17 3.03 1.11 -1.26 -5.08 116.67 114.81 1ugo s ASP 9 Ca 0.07 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.49 1ugo s ASP 9 Cb -0.12 1.19 0.00 0.00 1.07 0.00 0.00 42.92 45.06 1ugo s ASP 9 CO 0.01 -0.35 0.00 0.80 1.18 0.00 0.00 175.17 176.81 1ugo n MET 10 N 5.36 -5.43 -3.68 8.23 1.56 -1.26 -5.05 117.12 116.86 1ugo n MET 10 Ca 0.01 3.84 -0.14 0.00 -0.27 0.00 0.00 57.70 61.14 1ugo n MET 10 Cb 0.50 -4.29 -0.13 0.00 2.15 0.00 0.00 33.22 31.45 1ugo n MET 10 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1ugo s GLY 11 N -0.52 -0.10 0.68 -5.12 0.00 -1.26 -5.15 107.32 95.86 1ugo s GLY 11 Ca 0.00 0.90 -0.15 0.00 0.00 0.00 0.00 44.72 45.47 1ugo s GLY 11 CO 0.00 1.77 1.14 -1.31 0.00 0.00 0.00 173.10 174.69 1ugo s ASN 12 N 2.14 4.81 -0.89 1.64 -0.87 -1.26 -4.97 114.94 115.55 1ugo s ASN 12 Ca -0.01 2.09 -0.12 0.00 -1.57 0.00 0.00 52.86 53.26 1ugo s ASN 12 Cb -0.12 -2.56 0.23 0.00 -0.02 0.00 0.00 41.25 38.78 1ugo s ASN 12 CO -0.08 -1.83 0.83 -1.58 -2.57 0.00 0.00 177.10 171.87 1ugo s GLN 13 N -4.07 3.67 0.31 -0.60 0.74 -1.26 -5.04 119.66 113.41 1ugo s GLN 13 Ca 0.69 -2.68 -0.24 0.00 0.05 0.00 0.00 55.36 53.18 1ugo s GLN 13 Cb -0.23 -4.40 -0.16 0.00 1.10 0.00 0.00 33.01 29.33 1ugo s GLN 13 CO 0.43 -1.27 0.26 1.58 -0.55 0.00 0.00 175.29 175.74 1ugo n HIS 14 N 3.57 -1.40 0.48 1.67 -0.00 -1.26 -4.74 115.22 113.54 1ugo n HIS 14 Ca 0.16 0.75 0.13 0.00 -0.00 0.00 0.00 57.72 58.76 1ugo n HIS 14 Cb 0.44 -1.82 0.45 0.00 -0.00 0.00 0.00 29.99 29.06 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 0.59 0.00 0.13 1.57 0.13 -1.99 -1.93 132.00 130.51 1ugo h PRO 15 Ca -0.32 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.47 1ugo h PRO 15 Cb 1.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1ugo h PRO 15 CO 0.50 0.00 -1.75 0.77 -0.23 0.00 0.00 178.00 177.30 1ugo h SER 16 N 0.00 0.44 -0.05 1.44 0.02 -1.89 -3.28 113.55 110.23 1ugo h SER 16 Ca 0.00 -0.90 -0.01 0.00 -0.84 0.00 0.00 61.79 60.04 1ugo h SER 16 Cb 0.58 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1ugo h SER 16 CO 0.00 1.76 -0.00 0.40 -1.14 0.00 0.00 176.83 177.85 1ugo h ILE 17 N -0.08 1.26 -0.10 3.27 1.08 -1.90 -0.45 117.51 120.60 1ugo h ILE 17 Ca -0.37 -0.80 0.03 0.00 -0.39 0.00 0.00 64.86 63.33 1ugo h ILE 17 Cb 1.94 1.70 -0.00 0.00 -3.07 0.00 0.00 36.82 37.39 1ugo h ILE 17 CO 0.09 0.22 0.30 -1.28 -0.69 0.00 0.00 178.15 176.78 1ugo h SER 18 N -0.22 0.00 0.00 1.72 0.87 -1.52 0.13 113.55 114.53 1ugo h SER 18 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1ugo h SER 18 Cb 0.35 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1ugo h SER 18 CO 0.00 0.00 -0.28 -0.09 -0.53 0.00 0.00 176.83 175.93 1ugo h ARG 19 N 0.00 0.00 -0.57 2.24 9.65 -1.46 -3.32 114.38 120.92 1ugo h ARG 19 Ca 0.05 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.04 1ugo h ARG 19 Cb 0.64 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.12 1ugo h ARG 19 CO -0.00 0.10 -0.10 -0.07 2.80 0.00 0.00 179.97 182.70 1ugo h LEU 20 N -1.00 -0.45 -1.65 3.80 4.07 -0.40 0.64 115.31 120.33 1ugo h LEU 20 Ca -0.02 0.16 0.36 0.00 0.08 0.00 0.00 57.88 58.46 1ugo h LEU 20 Cb 0.33 0.32 -0.08 0.00 1.08 0.00 0.00 40.66 42.31 1ugo h LEU 20 CO -0.01 -0.16 0.84 1.56 -1.08 0.00 0.00 178.44 179.59 1ugo h GLN 21 N 0.03 0.15 0.05 1.13 4.20 -0.95 1.80 115.11 121.52 1ugo h GLN 21 Ca 0.28 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.72 1ugo h GLN 21 Cb 0.44 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1ugo h GLN 21 CO -0.56 0.10 -1.29 0.93 -0.67 0.00 0.00 178.83 177.35 1ugo h GLU 22 N 0.15 0.10 -0.11 1.46 4.39 0.11 -2.97 114.58 117.71 1ugo h GLU 22 Ca 0.67 -0.18 -0.22 0.00 0.34 0.00 0.00 59.36 59.97 1ugo h GLU 22 Cb 2.21 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.94 1ugo h GLU 22 CO -0.20 0.98 -0.80 0.82 -1.16 0.00 0.00 179.01 178.65 1ugo h ILE 23 N 0.03 1.29 0.92 3.13 2.04 0.34 -2.94 117.51 122.31 1ugo h ILE 23 Ca -0.13 -2.01 -0.04 0.00 1.00 0.00 0.00 64.86 63.67 1ugo h ILE 23 Cb 1.90 2.10 0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1ugo h ILE 23 CO 0.14 0.63 -0.45 1.56 0.00 0.00 0.00 178.15 180.03 1ugo h GLN 24 N 0.45 -1.20 -1.18 2.37 4.20 0.20 0.01 115.11 119.96 1ugo h GLN 24 Ca -0.07 0.08 0.34 0.00 0.06 0.00 0.00 58.65 59.06 1ugo h GLN 24 Cb 1.44 0.27 -0.05 0.00 0.30 0.00 0.00 27.48 29.43 1ugo h GLN 24 CO 0.16 -0.80 0.84 0.07 -0.67 0.00 0.00 178.83 178.43 1ugo h ARG 25 N -1.25 0.04 0.00 1.46 0.11 -1.62 0.40 114.38 113.52 1ugo h ARG 25 Ca -0.13 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1ugo h ARG 25 Cb 0.96 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1ugo h ARG 25 CO 0.20 0.03 0.00 0.39 0.10 0.00 0.00 179.97 180.69 1ugo n GLU 26 N -4.24 0.00 -0.37 0.08 -0.58 -0.83 0.70 120.64 115.40 1ugo n GLU 26 Ca 0.26 0.37 0.38 0.00 -0.42 0.00 0.00 57.16 57.75 1ugo n GLU 26 Cb 1.22 -1.08 0.74 0.00 -0.57 0.00 0.00 31.44 31.75 1ugo n GLU 26 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1ugo h VAL 27 N 0.00 0.27 0.21 2.62 -1.51 -0.49 1.66 116.25 119.00 1ugo h VAL 27 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.18 1ugo h VAL 27 Cb 0.00 0.29 0.03 0.00 -2.13 0.00 0.00 31.29 29.48 1ugo h VAL 27 CO 0.00 0.00 -1.27 0.50 -1.23 0.00 0.00 177.57 175.57 1ugo h LYS 28 N 0.00 0.49 0.00 5.19 1.63 -0.24 0.26 116.57 123.89 1ugo h LYS 28 Ca 0.62 -0.81 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1ugo h LYS 28 Cb 2.61 0.30 0.00 0.00 -0.60 0.00 0.00 32.23 34.54 1ugo h LYS 28 CO -0.01 1.38 0.00 0.00 -3.45 0.00 0.00 179.45 177.38 1ugo n ALA 29 N -2.70 1.62 0.33 5.00 0.00 0.51 -1.44 120.51 123.84 1ugo n ALA 29 Ca -0.16 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1ugo n ALA 29 Cb 1.01 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.11 0.00 -0.23 0.00 -6.64 0.16 -4.59 119.36 105.96 1ugo n ILE 30 Ca 0.02 -0.45 -0.01 0.00 -1.77 0.00 0.00 62.75 60.55 1ugo n ILE 30 Cb 0.21 1.11 0.11 0.00 -1.44 0.00 0.00 39.64 39.63 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 1.08 0.61 0.00 6.28 4.81 0.69 -1.01 114.58 127.05 1ugo h GLU 31 Ca 0.00 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1ugo h GLU 31 Cb 0.28 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1ugo h GLU 31 CO 0.00 0.41 -0.59 -1.00 -0.73 0.00 0.00 179.01 177.10 1ugo h PRO 32 N 0.63 0.00 0.00 0.92 0.13 -1.81 -2.17 132.00 129.70 1ugo h PRO 32 Ca 0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1ugo h PRO 32 Cb 0.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 1ugo h PRO 32 CO -0.22 0.59 -0.01 1.96 -0.23 0.00 0.00 178.00 180.09 1ugo h GLN 33 N 0.00 0.00 0.01 0.86 4.20 -1.45 1.00 115.11 119.73 1ugo h GLN 33 Ca -0.01 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.30 1ugo h GLN 33 Cb 1.20 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.92 1ugo h GLN 33 CO 0.08 0.01 -2.24 0.28 -0.67 0.00 0.00 178.83 176.29 1ugo n VAL 34 N -3.24 1.54 -0.22 -0.54 0.31 -0.96 -3.27 118.33 111.95 1ugo n VAL 34 Ca -0.02 -0.36 -0.02 0.00 -0.01 0.00 0.00 64.34 63.92 1ugo n VAL 34 Cb 0.13 -1.82 0.18 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.75 1.22 -0.84 2.52 2.07 -1.13 -1.49 116.25 117.85 1ugo h VAL 35 Ca -0.59 -0.60 -0.34 0.00 0.82 0.00 0.00 66.70 65.98 1ugo h VAL 35 Cb 1.63 0.28 -0.20 0.00 -1.52 0.00 0.00 31.29 31.48 1ugo h VAL 35 CO -0.29 0.26 0.42 0.61 0.02 0.00 0.00 177.57 178.59 1ugo n GLY 36 N -1.13 4.01 3.85 2.17 0.00 0.34 -4.98 105.19 109.45 1ugo n GLY 36 Ca 0.07 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.12 2.06 -0.36 1.61 5.36 -0.56 -4.91 117.98 118.06 1ugo s PHE 37 Ca 0.56 0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 57.07 1ugo s PHE 37 Cb 0.46 -3.69 0.22 0.00 -0.34 0.00 0.00 43.02 39.67 1ugo s PHE 37 CO 0.12 -2.49 1.08 -1.13 -1.46 0.00 0.00 175.22 171.34 1ugo n SER 38 N -3.77 -1.63 0.00 6.13 3.41 -1.26 -4.91 113.62 111.59 1ugo n SER 38 Ca 0.11 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 1ugo n SER 38 Cb 0.60 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 1ugo n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ugo n GLY 39 N 2.51 4.44 3.38 5.00 0.00 -1.16 -4.97 105.19 114.40 1ugo n GLY 39 Ca 0.11 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1ugo n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugo s LEU 40 N 0.00 2.50 0.24 0.99 1.43 -1.25 -3.85 118.68 118.74 1ugo s LEU 40 Ca 0.00 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 1ugo s LEU 40 Cb 0.00 -0.92 0.33 0.00 0.03 0.00 0.00 46.19 45.63 1ugo s LEU 40 CO 0.00 -0.02 1.58 0.77 0.23 0.00 0.00 176.35 178.91 1ugo h SER 41 N 2.85 -0.93 -2.38 2.29 4.64 -1.84 -3.13 113.55 115.04 1ugo h SER 41 Ca -0.41 0.26 -0.59 0.00 -0.47 0.00 0.00 61.79 60.58 1ugo h SER 41 Cb 1.22 0.57 -0.39 0.00 -0.31 0.00 0.00 62.40 63.50 1ugo h SER 41 CO 0.55 -0.29 -0.93 0.47 -0.87 0.00 0.00 176.83 175.76 1ugo n ASP 42 N -5.53 0.35 0.00 4.97 8.00 -1.26 -4.81 116.55 118.26 1ugo n ASP 42 Ca 0.12 -2.61 0.00 0.00 0.71 0.00 0.00 54.79 53.01 1ugo n ASP 42 Cb 0.42 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ugo n ASP 43 N 2.33 0.00 0.00 -2.24 2.03 -1.18 -4.95 116.55 112.54 1ugo n ASP 43 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1ugo n ASP 43 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1ugo n ASP 43 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ugo n LYS 44 N -0.15 0.00 -0.00 -0.67 4.76 -1.26 -1.22 118.16 119.61 1ugo n LYS 44 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1ugo n LYS 44 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1ugo n LYS 44 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ugo n ASN 45 N 11.24 0.83 -0.30 4.39 3.02 -1.26 -4.69 115.26 128.49 1ugo n ASN 45 Ca 0.00 -0.55 -0.05 0.00 -0.03 0.00 0.00 54.58 53.96 1ugo n ASN 45 Cb 0.00 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ugo h TYR 46 N 0.00 -1.15 -0.60 3.10 5.03 -1.42 -0.46 116.97 121.48 1ugo h TYR 46 Ca 0.00 0.09 0.05 0.00 2.58 0.00 0.00 58.73 61.46 1ugo h TYR 46 Cb 0.18 0.62 -0.07 0.00 1.55 0.00 0.00 36.73 39.01 1ugo h TYR 46 CO 0.00 -0.40 -0.35 1.63 -1.32 0.00 0.00 178.16 177.72 1ugo n LYS 47 N -5.43 -0.26 -0.06 1.82 4.76 -1.26 0.17 118.16 117.91 1ugo n LYS 47 Ca 0.06 1.26 -0.12 0.00 -2.87 0.00 0.00 58.31 56.64 1ugo n LYS 47 Cb 0.37 -1.86 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 1ugo n LYS 47 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1ugo h ARG 48 N 0.00 -0.42 0.05 1.97 2.43 -1.46 0.81 114.38 117.76 1ugo h ARG 48 Ca 0.10 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1ugo h ARG 48 Cb 0.24 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1ugo h ARG 48 CO -0.56 -0.28 -0.32 -0.07 -1.51 0.00 0.00 179.97 177.23 1ugo h LEU 49 N -0.44 -0.96 -0.66 3.80 3.38 0.27 0.19 115.31 120.89 1ugo h LEU 49 Ca 0.09 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1ugo h LEU 49 Cb 0.62 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 1ugo h LEU 49 CO -0.48 -0.33 -0.27 -0.08 0.09 0.00 0.00 178.44 177.37 1ugo h GLU 50 N -0.43 -0.09 -0.50 1.13 4.81 0.23 0.19 114.58 119.91 1ugo h GLU 50 Ca -0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1ugo h GLU 50 Cb 0.44 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 1ugo h GLU 50 CO -0.18 -0.06 -0.09 -0.09 -0.73 0.00 0.00 179.01 177.86 1ugo h ARG 51 N -0.09 0.03 -0.18 1.92 9.65 0.13 0.99 114.38 126.82 1ugo h ARG 51 Ca 0.28 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.21 1ugo h ARG 51 Cb 0.54 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.05 1ugo h ARG 51 CO -0.72 0.02 -0.45 0.82 2.80 0.00 0.00 179.97 182.44 1ugo h ILE 52 N 0.03 0.10 0.26 1.20 2.04 0.24 1.64 117.51 123.01 1ugo h ILE 52 Ca 0.25 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 1ugo h ILE 52 Cb 0.38 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1ugo h ILE 52 CO -0.49 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.45 1ugo h LEU 53 N -0.48 -0.32 -0.43 1.44 3.38 -0.40 0.31 115.31 118.80 1ugo h LEU 53 Ca 0.08 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1ugo h LEU 53 Cb 0.63 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1ugo h LEU 53 CO -0.44 -0.22 -0.19 0.00 0.09 0.00 0.00 178.44 177.68 1ugo h THR 54 N -0.36 0.42 0.79 0.22 1.03 0.18 1.48 112.91 116.66 1ugo h THR 54 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.33 1ugo h THR 54 Cb 0.28 0.42 0.01 0.00 -1.07 0.00 0.00 68.15 67.79 1ugo h THR 54 CO 0.05 0.00 -0.38 0.11 -0.01 0.00 0.00 175.52 175.29 1ugo h LYS 55 N -0.10 -1.02 -0.70 0.00 6.56 0.27 0.11 116.57 121.69 1ugo h LYS 55 Ca 0.21 0.07 0.15 0.00 -1.06 0.00 0.00 60.65 60.02 1ugo h LYS 55 Cb 0.42 0.23 -0.12 0.00 -0.57 0.00 0.00 32.23 32.20 1ugo h LYS 55 CO -0.50 -0.68 0.05 1.96 -2.06 0.00 0.00 179.45 178.22 1ugo h GLN 56 N -1.06 0.14 0.24 3.15 1.08 0.05 -0.41 115.11 118.30 1ugo h GLN 56 Ca -0.11 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1ugo h GLN 56 Cb 0.81 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1ugo h GLN 56 CO 0.18 0.10 -0.37 1.25 -0.95 0.00 0.00 178.83 179.03 1ugo h LEU 57 N 0.15 -1.03 -1.80 1.46 7.12 0.22 0.69 115.31 122.12 1ugo h LEU 57 Ca 0.38 0.10 0.27 0.00 0.13 0.00 0.00 57.88 58.76 1ugo h LEU 57 Cb 0.65 0.37 -0.04 0.00 -0.53 0.00 0.00 40.66 41.12 1ugo h LEU 57 CO -0.58 -0.48 0.81 0.15 -0.13 0.00 0.00 178.44 178.22 1ugo h PHE 58 N -0.67 0.00 0.03 1.25 3.04 0.85 1.49 116.94 122.92 1ugo h PHE 58 Ca 0.00 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.73 1ugo h PHE 58 Cb 0.65 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.14 1ugo h PHE 58 CO -0.27 0.00 -1.02 0.93 -2.02 0.00 0.00 178.31 175.94 1ugo h GLU 59 N 0.00 0.08 -0.62 1.11 4.39 0.04 -2.56 114.58 117.02 1ugo h GLU 59 Ca 0.44 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1ugo h GLU 59 Cb 2.06 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.73 1ugo h GLU 59 CO -0.00 1.02 0.28 0.82 -1.16 0.00 0.00 179.01 179.97 1ugo h ILE 60 N 0.03 1.22 0.00 3.13 2.04 0.32 0.14 117.51 124.40 1ugo h ILE 60 Ca -0.04 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1ugo h ILE 60 Cb 1.74 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1ugo h ILE 60 CO 0.14 0.26 -0.33 -0.78 0.00 0.00 0.00 178.15 177.44 1ugo h ASP 61 N 0.86 0.00 0.92 1.72 1.82 -1.45 -2.76 116.42 117.52 1ugo h ASP 61 Ca 0.21 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.72 1ugo h ASP 61 Cb 0.15 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 1ugo h ASP 61 CO -0.02 0.33 -0.64 -1.28 -1.61 0.00 0.00 179.24 176.02 1ugo h SER 62 N 0.00 0.00 -2.91 2.28 0.87 -0.85 -3.43 113.55 109.51 1ugo h SER 62 Ca -0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1ugo h SER 62 Cb 0.94 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.86 1ugo h SER 62 CO 0.04 0.64 1.02 -0.69 -0.53 0.00 0.00 176.83 177.32 1ugo s VAL 63 N -3.27 3.96 0.07 2.23 1.01 0.39 -4.99 120.40 119.80 1ugo s VAL 63 Ca 0.00 1.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 1ugo s VAL 63 Cb 0.11 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1ugo s VAL 63 CO 0.76 -0.31 0.65 -0.62 0.00 0.00 0.00 175.10 175.58 1ugo s ASP 64 N 3.20 7.14 -0.20 3.32 -1.08 -1.26 -4.97 116.67 122.82 1ugo s ASP 64 Ca 0.63 1.35 -0.12 0.00 -0.52 0.00 0.00 52.55 53.89 1ugo s ASP 64 Cb -0.22 -2.41 -0.19 0.00 -1.46 0.00 0.00 42.92 38.63 1ugo s ASP 64 CO 0.24 0.18 0.08 0.35 0.52 0.00 0.00 175.17 176.54 1ugo n THR 65 N 2.11 1.60 -2.94 1.71 -2.24 -1.26 -4.88 114.28 108.39 1ugo n THR 65 Ca -0.07 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 1ugo n THR 65 Cb 0.50 -1.83 0.04 0.00 -2.10 0.00 0.00 70.33 66.94 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 -3.95 -3.50 -3.97 -0.78 2.13 -1.26 -3.63 120.64 105.68 1ugo n GLU 66 Ca -0.39 0.38 -0.43 0.00 0.66 0.00 0.00 57.16 57.38 1ugo n GLU 66 Cb 0.88 -4.03 0.03 0.00 0.27 0.00 0.00 31.44 28.59 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 -1.16 -0.88 0.04 8.31 0.00 -1.26 -4.86 105.19 105.37 1ugo n GLY 67 Ca -0.02 0.37 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.82 1.84 0.00 1.61 5.02 -1.24 -5.03 118.16 115.54 1ugo n LYS 68 Ca -0.11 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1ugo n LYS 68 Cb 0.57 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 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 2.26 2.22 0.41 0.72 0.00 -1.26 -4.75 105.19 104.79 1ugo n GLY 69 Ca -0.12 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.85 0.18 1.61 3.32 -1.96 1.45 116.42 119.17 1ugo h ASP 70 Ca 0.00 0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1ugo h ASP 70 Cb 0.00 0.85 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1ugo h ASP 70 CO 0.00 -0.27 -0.08 0.40 -1.72 0.00 0.00 179.24 177.56 1ugo h ILE 71 N -0.06 0.83 -0.99 0.35 2.04 -1.89 -2.38 117.51 115.41 1ugo h ILE 71 Ca 0.21 -1.07 0.31 0.00 1.00 0.00 0.00 64.86 65.31 1ugo h ILE 71 Cb 0.50 1.38 -0.18 0.00 -0.74 0.00 0.00 36.82 37.77 1ugo h ILE 71 CO -0.89 0.21 0.15 1.67 0.00 0.00 0.00 178.15 179.28 1ugo n GLN 72 N -4.94 -0.07 0.23 2.37 7.27 -0.66 0.13 117.38 121.71 1ugo n GLN 72 Ca -0.08 1.46 -0.13 0.00 0.07 0.00 0.00 57.00 58.32 1ugo n GLN 72 Cb 0.26 -2.39 -0.07 0.00 2.41 0.00 0.00 30.24 30.45 1ugo n GLN 72 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1ugo h GLN 73 N 0.00 -0.60 0.06 3.69 4.20 0.20 -1.48 115.11 121.18 1ugo h GLN 73 Ca 0.66 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.41 1ugo h GLN 73 Cb 1.49 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.41 1ugo h GLN 73 CO -0.89 -0.30 -0.05 0.00 -0.67 0.00 0.00 178.83 176.92 1ugo h ALA 74 N -0.67 -0.81 -0.54 3.87 0.00 0.02 -0.75 119.26 120.37 1ugo h ALA 74 Ca -0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ugo h ALA 74 Cb 0.58 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1ugo h ALA 74 CO 0.10 -0.81 -0.32 -2.13 0.00 0.00 0.00 179.25 176.09 1ugo n ARG 75 N -2.57 -0.24 -0.40 0.00 0.63 0.35 0.96 116.66 115.39 1ugo n ARG 75 Ca -0.01 1.19 -0.10 0.00 -0.92 0.00 0.00 57.85 58.01 1ugo n ARG 75 Cb 0.05 -1.77 -0.08 0.00 0.45 0.00 0.00 32.46 31.11 1ugo n ARG 75 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1ugo h LYS 76 N 0.00 -0.02 -0.35 -0.14 3.64 -1.20 1.10 116.57 119.60 1ugo h LYS 76 Ca 0.09 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1ugo h LYS 76 Cb 0.22 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1ugo h LYS 76 CO -0.51 -0.01 0.00 0.00 -2.27 0.00 0.00 179.45 176.66 1ugo h ARG 77 N -0.02 0.10 -0.20 1.90 2.47 0.97 -0.99 114.38 118.60 1ugo h ARG 77 Ca 0.18 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.94 1ugo h ARG 77 Cb 0.44 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.68 1ugo h ARG 77 CO -0.93 0.06 -0.16 0.00 0.56 0.00 0.00 179.97 179.50 1ugo h ALA 78 N 1.30 -0.02 -1.00 0.04 0.00 0.53 1.37 119.26 121.49 1ugo h ALA 78 Ca 0.17 0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.35 1ugo h ALA 78 Cb 0.23 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1ugo h ALA 78 CO -0.28 -0.59 0.61 0.00 0.00 0.00 0.00 179.25 178.99 1ugo h ALA 79 N 0.95 1.74 -0.03 0.00 0.00 0.18 0.96 119.26 123.06 1ugo h ALA 79 Ca 0.12 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1ugo h ALA 79 Cb 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ugo h ALA 79 CO -0.31 -0.12 -0.52 1.96 0.00 0.00 0.00 179.25 180.27 1ugo h GLN 80 N 0.72 0.41 0.15 0.00 4.20 0.43 -2.55 115.11 118.47 1ugo h GLN 80 Ca 0.58 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ugo h GLN 80 Cb 0.96 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1ugo h GLN 80 CO -0.37 1.06 -0.11 1.49 -0.67 0.00 0.00 178.83 180.23 1ugo h GLU 81 N -0.09 -0.25 0.10 1.46 4.81 0.37 0.30 114.58 121.28 1ugo h GLU 81 Ca -0.06 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ugo h GLU 81 Cb 1.21 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 1ugo h GLU 81 CO 0.10 -0.17 -0.33 1.15 -0.73 0.00 0.00 179.01 179.04 1ugo h THR 82 N -0.26 0.30 0.12 0.32 2.02 0.76 -2.05 112.91 114.13 1ugo h THR 82 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1ugo h THR 82 Cb 0.23 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1ugo h THR 82 CO -0.00 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 175.26 1ugo h GLU 83 N -0.54 -0.50 -0.95 6.66 4.39 -1.31 -1.34 114.58 120.99 1ugo h GLU 83 Ca 0.03 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.92 1ugo h GLU 83 Cb 0.58 0.11 -0.15 0.00 -0.10 0.00 0.00 28.75 29.19 1ugo h GLU 83 CO -0.20 -0.33 -0.36 0.54 -1.16 0.00 0.00 179.01 177.50 1ugo n ARG 84 N -5.40 -0.21 0.16 2.33 1.74 0.10 0.46 116.66 115.84 1ugo n ARG 84 Ca -0.07 1.46 -0.14 0.00 -0.77 0.00 0.00 57.85 58.34 1ugo n ARG 84 Cb 0.31 -2.17 -0.07 0.00 -1.02 0.00 0.00 32.46 29.52 1ugo n ARG 84 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ugo h LEU 85 N 0.00 -0.53 -0.88 0.55 -0.00 -0.85 -1.95 115.31 111.66 1ugo h LEU 85 Ca 0.34 0.05 0.22 0.00 -0.00 0.00 0.00 57.88 58.48 1ugo h LEU 85 Cb 0.58 0.18 -0.16 0.00 -0.00 0.00 0.00 40.66 41.26 1ugo h LEU 85 CO -0.94 -0.30 0.02 -0.07 -0.00 0.00 0.00 178.44 177.15 1ugo h LEU 86 N -0.45 -0.40 0.36 1.67 3.38 0.11 0.98 115.31 120.97 1ugo h LEU 86 Ca -0.01 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1ugo h LEU 86 Cb 0.41 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1ugo h LEU 86 CO -0.03 -0.25 -0.40 0.11 0.09 0.00 0.00 178.44 177.96 1ugo h LYS 87 N 0.07 -0.74 -0.98 1.13 1.79 0.01 -1.89 116.57 115.97 1ugo h LYS 87 Ca 0.50 0.05 0.30 0.00 -2.18 0.00 0.00 60.65 59.32 1ugo h LYS 87 Cb 0.96 0.17 -0.18 0.00 -1.58 0.00 0.00 32.23 31.60 1ugo h LYS 87 CO -0.79 -0.49 0.14 0.93 -1.08 0.00 0.00 179.45 178.17 1ugo h GLU 88 N -0.77 0.03 -0.36 3.15 4.39 -0.24 0.57 114.58 121.34 1ugo h GLU 88 Ca -0.05 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1ugo h GLU 88 Cb 0.67 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.23 1ugo h GLU 88 CO -0.07 0.02 -0.39 1.25 -1.16 0.00 0.00 179.01 178.66 1ugo h LEU 89 N 0.03 -1.30 -0.80 1.33 5.85 -0.34 1.49 115.31 121.57 1ugo h LEU 89 Ca 0.64 0.20 0.09 0.00 0.84 0.00 0.00 57.88 59.65 1ugo h LEU 89 Cb 1.41 0.57 -0.11 0.00 0.37 0.00 0.00 40.66 42.90 1ugo h LEU 89 CO -0.87 -0.36 -0.54 -0.33 -0.34 0.00 0.00 178.44 176.01 1ugo h GLU 90 N -0.33 -0.12 0.67 1.25 5.08 0.42 1.37 114.58 122.93 1ugo h GLU 90 Ca 0.14 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1ugo h GLU 90 Cb 0.58 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1ugo h GLU 90 CO -0.54 -0.08 -0.32 1.96 -1.00 0.00 0.00 179.01 179.03 1ugo h GLN 91 N -0.13 -0.87 -1.00 2.33 4.20 -1.11 -3.02 115.11 115.52 1ugo h GLN 91 Ca 0.17 0.06 0.36 0.00 0.06 0.00 0.00 58.65 59.30 1ugo h GLN 91 Cb 0.50 0.20 -0.18 0.00 0.30 0.00 0.00 27.48 28.30 1ugo h GLN 91 CO -0.83 -0.58 0.35 -0.91 -0.67 0.00 0.00 178.83 176.19 1ugo h ASN 92 N -1.16 0.04 0.00 1.46 2.35 0.26 -1.53 115.58 117.00 1ugo h ASN 92 Ca -0.09 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1ugo h ASN 92 Cb 0.69 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1ugo h ASN 92 CO 0.15 -0.39 0.00 0.00 -1.65 0.00 0.00 177.43 175.54 1ugo n ALA 93 N -2.58 0.00 0.00 -0.83 0.00 0.47 -4.47 120.51 113.09 1ugo n ALA 93 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ugo n ALA 93 Cb 1.08 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.82 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 -1.31 0.00 -0.09 0.00 2.88 -0.58 -2.99 113.62 111.53 1ugo n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ugo n SER 94 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ugo n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 95 N -0.52 0.11 3.79 0.46 0.00 -1.26 -4.61 105.19 103.16 1ugo n GLY 95 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1ugo n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugo s PRO 96 N 0.00 4.08 0.38 1.61 0.04 -1.26 -4.78 135.00 135.07 1ugo s PRO 96 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1ugo s PRO 96 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1ugo s PRO 96 CO 0.00 -0.21 0.00 0.43 0.04 0.00 0.00 177.00 177.26 1ugo n SER 97 N -0.27 -7.67 -3.01 6.66 7.64 -1.26 -5.04 113.62 110.66 1ugo n SER 97 Ca 0.06 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1ugo n SER 97 Cb 0.50 -3.86 -0.00 0.00 -1.01 0.00 0.00 64.21 59.84 1ugo n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ugo s SER 98 N -2.52 -1.15 0.00 6.43 1.04 -1.26 -5.03 113.70 111.21 1ugo s SER 98 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1ugo s SER 98 Cb 0.00 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.60 1ugo s SER 98 CO 0.00 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.72