#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 6.55 -0.41 1.61 0.15 -1.26 -4.95 113.70 115.39 1ugo s SER 2 Ca 0.00 -1.73 -0.40 0.00 0.70 0.00 0.00 55.95 54.52 1ugo s SER 2 Cb 0.00 -2.48 -0.15 0.00 -1.71 0.00 0.00 66.02 61.68 1ugo s SER 2 CO 0.00 -1.28 2.12 -1.54 1.20 0.00 0.00 173.24 173.74 1ugo n SER 3 N 7.65 1.54 -2.09 5.45 3.41 -1.26 -4.91 113.62 123.41 1ugo n SER 3 Ca 0.27 0.60 -0.01 0.00 -0.26 0.00 0.00 58.87 59.46 1ugo n SER 3 Cb 0.50 -1.09 0.01 0.00 -0.26 0.00 0.00 64.21 63.37 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ugo n GLY 4 N 6.70 -0.96 3.61 5.00 0.00 -1.26 -5.12 105.19 113.15 1ugo n GLY 4 Ca 0.46 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 1ugo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugo s SER 5 N -1.22 -0.17 -0.18 1.61 1.04 -1.26 -5.09 113.70 108.43 1ugo s SER 5 Ca 0.03 0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 1ugo s SER 5 Cb -0.00 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1ugo s SER 5 CO 0.02 -0.19 0.08 -1.20 0.98 0.00 0.00 173.24 172.93 1ugo n SER 6 N 0.37 -5.40 -3.41 7.02 7.64 -1.26 -5.03 113.62 113.55 1ugo n SER 6 Ca -0.03 1.17 -0.17 0.00 1.01 0.00 0.00 58.87 60.86 1ugo n SER 6 Cb 0.58 -4.19 -0.10 0.00 -1.01 0.00 0.00 64.21 59.50 1ugo n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ugo s GLY 7 N -1.02 -0.15 -0.36 0.23 0.00 -1.26 -5.08 107.32 99.68 1ugo s GLY 7 Ca -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.54 1ugo s GLY 7 CO 0.55 2.59 0.57 1.06 0.00 0.00 0.00 173.10 177.87 1ugo s MET 8 N 2.37 0.68 0.47 2.90 -1.94 -1.26 -5.16 119.30 117.37 1ugo s MET 8 Ca 0.09 -0.05 0.02 0.00 -1.71 0.00 0.00 55.69 54.04 1ugo s MET 8 Cb -0.14 0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.72 1ugo s MET 8 CO -0.29 -1.13 0.67 -0.51 -0.01 0.00 0.00 175.02 173.75 1ugo s ASP 9 N 2.16 5.65 -0.27 3.03 1.01 -1.26 -5.12 116.67 121.87 1ugo s ASP 9 Ca 0.14 0.07 -0.19 0.00 0.71 0.00 0.00 52.55 53.27 1ugo s ASP 9 Cb -0.08 -1.20 0.08 0.00 1.01 0.00 0.00 42.92 42.73 1ugo s ASP 9 CO -0.15 -0.82 0.69 -0.32 0.21 0.00 0.00 175.17 174.78 1ugo s MET 10 N -4.56 0.74 0.00 8.23 1.75 -1.26 -5.11 119.30 119.10 1ugo s MET 10 Ca 0.51 1.12 0.00 0.00 -1.25 0.00 0.00 55.69 56.08 1ugo s MET 10 Cb -0.10 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.80 1ugo s MET 10 CO 0.37 -0.13 0.00 0.41 -0.65 0.00 0.00 175.02 175.02 1ugo n GLY 11 N 3.70 0.41 3.57 2.11 0.00 -1.26 -5.00 105.19 108.71 1ugo n GLY 11 Ca -0.18 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1ugo n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugo s ASN 12 N -4.00 5.76 -0.84 1.61 -0.87 -1.26 -4.93 114.94 110.42 1ugo s ASN 12 Ca 0.00 0.41 -0.21 0.00 -1.57 0.00 0.00 52.86 51.49 1ugo s ASN 12 Cb 0.00 -2.54 0.09 0.00 -0.02 0.00 0.00 41.25 38.79 1ugo s ASN 12 CO 0.00 -1.97 1.12 -1.58 -2.57 0.00 0.00 177.10 172.10 1ugo s GLN 13 N 6.13 3.41 0.30 -0.60 0.74 -1.26 -5.00 119.66 123.38 1ugo s GLN 13 Ca 0.61 -1.28 -0.25 0.00 0.05 0.00 0.00 55.36 54.49 1ugo s GLN 13 Cb -0.13 -4.70 -0.16 0.00 1.10 0.00 0.00 33.01 29.12 1ugo s GLN 13 CO 0.24 -1.87 0.37 1.58 -0.55 0.00 0.00 175.29 175.07 1ugo n HIS 14 N 7.41 -1.05 0.09 1.67 -0.00 -1.26 -4.79 115.22 117.28 1ugo n HIS 14 Ca 0.14 0.80 -0.08 0.00 -0.00 0.00 0.00 57.72 58.59 1ugo n HIS 14 Cb 0.48 -1.90 0.03 0.00 -0.00 0.00 0.00 29.99 28.59 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 0.76 0.20 -0.12 1.57 0.13 -1.99 -2.28 132.00 130.27 1ugo h PRO 15 Ca -0.33 -0.20 -0.16 0.00 -0.87 0.00 0.00 66.00 64.45 1ugo h PRO 15 Cb 1.44 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.61 1ugo h PRO 15 CO 0.53 0.90 -0.60 0.77 -0.23 0.00 0.00 178.00 179.37 1ugo h SER 16 N 0.12 0.46 0.56 1.44 0.02 -1.92 -2.32 113.55 111.91 1ugo h SER 16 Ca -0.03 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1ugo h SER 16 Cb 1.40 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.81 1ugo h SER 16 CO 0.12 0.95 -0.27 0.40 -1.14 0.00 0.00 176.83 176.90 1ugo h ILE 17 N 0.31 0.11 -0.62 3.27 1.08 -1.90 -0.83 117.51 118.92 1ugo h ILE 17 Ca -0.00 -0.45 0.18 0.00 -0.39 0.00 0.00 64.86 64.20 1ugo h ILE 17 Cb 1.13 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1ugo h ILE 17 CO 0.10 0.02 0.57 -1.28 -0.69 0.00 0.00 178.15 176.87 1ugo h SER 18 N -1.15 0.00 0.06 1.72 0.87 -1.47 0.61 113.55 114.19 1ugo h SER 18 Ca -0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1ugo h SER 18 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1ugo h SER 18 CO 0.13 0.00 -0.03 -0.09 -0.53 0.00 0.00 176.83 176.31 1ugo h ARG 19 N 0.00 -0.08 -0.35 2.24 9.65 -1.20 -2.32 114.38 122.32 1ugo h ARG 19 Ca 0.29 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 59.28 1ugo h ARG 19 Cb 1.43 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 30.02 1ugo h ARG 19 CO -0.00 -0.05 0.39 1.37 2.80 0.00 0.00 179.97 184.48 1ugo h LEU 20 N -0.21 0.00 -0.75 3.80 8.10 -0.58 0.88 115.31 126.56 1ugo h LEU 20 Ca -0.01 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.85 1ugo h LEU 20 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.27 1ugo h LEU 20 CO 0.01 0.00 -0.62 1.56 -4.11 0.00 0.00 178.44 175.28 1ugo h GLN 21 N 0.00 0.00 0.00 0.17 4.20 0.16 -2.44 115.11 117.21 1ugo h GLN 21 Ca 0.16 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1ugo h GLN 21 Cb 0.95 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1ugo h GLN 21 CO -0.00 0.62 -0.44 0.93 -0.67 0.00 0.00 178.83 179.27 1ugo h GLU 22 N 0.00 0.00 0.00 1.46 5.08 0.14 -2.93 114.58 118.33 1ugo h GLU 22 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1ugo h GLU 22 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1ugo h GLU 22 CO 0.08 0.44 -0.46 0.82 -1.00 0.00 0.00 179.01 178.89 1ugo h ILE 23 N 0.00 0.80 0.16 3.13 2.04 -1.16 -3.22 117.51 119.25 1ugo h ILE 23 Ca -0.00 -2.09 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 1ugo h ILE 23 Cb 1.15 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1ugo h ILE 23 CO 0.06 0.45 -0.08 1.56 0.00 0.00 0.00 178.15 180.14 1ugo h GLN 24 N 0.00 -0.20 -0.44 2.37 4.20 -1.26 -2.29 115.11 117.49 1ugo h GLN 24 Ca -0.00 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.85 1ugo h GLN 24 Cb 1.33 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 1ugo h GLN 24 CO 0.06 0.16 0.36 0.07 -0.67 0.00 0.00 178.83 178.81 1ugo h ARG 25 N -0.61 0.00 0.37 1.46 0.11 -1.62 0.11 114.38 114.20 1ugo h ARG 25 Ca -0.02 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 1ugo h ARG 25 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1ugo h ARG 25 CO 0.04 0.00 -0.18 0.93 0.10 0.00 0.00 179.97 180.86 1ugo h GLU 26 N 0.00 -0.48 -0.47 0.08 4.39 -1.52 0.55 114.58 117.13 1ugo h GLU 26 Ca 0.21 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.08 1ugo h GLU 26 Cb 0.93 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1ugo h GLU 26 CO -0.00 -0.32 0.39 -0.39 -1.16 0.00 0.00 179.01 177.52 1ugo h VAL 27 N -0.84 0.58 0.16 3.13 -1.51 -0.87 0.36 116.25 117.26 1ugo h VAL 27 Ca -0.05 0.00 -0.31 0.00 -1.23 0.00 0.00 66.70 65.11 1ugo h VAL 27 Cb 0.38 0.71 0.03 0.00 -2.13 0.00 0.00 31.29 30.29 1ugo h VAL 27 CO 0.08 0.00 -1.32 0.50 -1.23 0.00 0.00 177.57 175.60 1ugo h LYS 28 N 0.00 0.57 0.00 5.19 1.63 -0.74 0.18 116.57 123.39 1ugo h LYS 28 Ca 0.22 -0.83 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1ugo h LYS 28 Cb 1.00 0.29 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1ugo h LYS 28 CO -0.00 1.38 0.00 0.00 -3.45 0.00 0.00 179.45 177.38 1ugo n ALA 29 N -2.68 1.59 0.22 5.00 0.00 0.19 -1.32 120.51 123.51 1ugo n ALA 29 Ca -0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1ugo n ALA 29 Cb 1.03 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.76 0.00 -0.23 0.00 -6.64 0.03 -4.58 119.36 106.18 1ugo n ILE 30 Ca 0.03 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.55 1ugo n ILE 30 Cb 0.17 1.07 0.12 0.00 -1.44 0.00 0.00 39.64 39.56 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 0.65 0.56 -0.05 6.28 4.81 0.68 -2.02 114.58 125.48 1ugo h GLU 31 Ca 0.00 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.95 1ugo h GLU 31 Cb 0.18 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1ugo h GLU 31 CO 0.00 0.37 -0.94 -1.00 -0.73 0.00 0.00 179.01 176.71 1ugo h PRO 32 N 0.57 0.69 -0.05 0.92 0.13 -1.82 -2.28 132.00 130.17 1ugo h PRO 32 Ca 0.33 -0.67 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1ugo h PRO 32 Cb 0.33 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1ugo h PRO 32 CO -0.25 1.27 0.31 1.96 -0.23 0.00 0.00 178.00 181.06 1ugo h GLN 33 N 0.42 0.00 0.00 0.86 4.20 -1.64 1.19 115.11 120.14 1ugo h GLN 33 Ca -0.10 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.30 1ugo h GLN 33 Cb 1.58 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.32 1ugo h GLN 33 CO 0.18 0.00 -1.75 0.28 -0.67 0.00 0.00 178.83 176.88 1ugo n VAL 34 N -3.01 1.53 -0.27 -0.54 0.31 -0.82 -3.09 118.33 112.43 1ugo n VAL 34 Ca -0.01 -0.16 0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1ugo n VAL 34 Cb 0.38 -2.01 0.25 0.00 -0.91 0.00 0.00 33.84 31.55 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 -1.00 1.09 -0.85 2.52 2.07 -0.65 0.09 116.25 119.53 1ugo h VAL 35 Ca -0.47 -0.34 -0.35 0.00 0.82 0.00 0.00 66.70 66.36 1ugo h VAL 35 Cb 1.38 0.01 -0.21 0.00 -1.52 0.00 0.00 31.29 30.95 1ugo h VAL 35 CO -0.28 0.18 0.43 0.61 0.02 0.00 0.00 177.57 178.53 1ugo n GLY 36 N -1.41 4.08 3.82 2.17 0.00 0.40 -4.86 105.19 109.38 1ugo n GLY 36 Ca 0.12 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.14 3.00 -0.28 1.61 5.36 0.02 -4.91 117.98 119.64 1ugo s PHE 37 Ca 0.56 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1ugo s PHE 37 Cb 0.46 -3.02 0.15 0.00 -0.34 0.00 0.00 43.02 40.26 1ugo s PHE 37 CO 0.12 -1.49 0.37 0.45 -1.46 0.00 0.00 175.22 173.21 1ugo s SER 38 N -3.93 0.69 0.00 6.13 0.15 -1.26 -4.74 113.70 110.74 1ugo s SER 38 Ca 0.59 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1ugo s SER 38 Cb -0.14 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1ugo s SER 38 CO 0.54 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1ugo n GLY 39 N 5.34 1.57 3.80 9.45 0.00 -1.18 -4.98 105.19 119.19 1ugo n GLY 39 Ca -0.01 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 4.40 -0.62 0.99 2.01 -1.26 -3.37 118.68 120.83 1ugo s LEU 40 Ca 0.00 1.54 -0.40 0.00 0.01 0.00 0.00 54.13 55.28 1ugo s LEU 40 Cb 0.00 -3.59 -0.19 0.00 0.01 0.00 0.00 46.19 42.42 1ugo s LEU 40 CO 0.00 0.06 2.30 -1.54 1.01 0.00 0.00 176.35 178.17 1ugo n SER 41 N 0.89 0.72 -1.24 2.29 3.41 -1.26 -3.49 113.62 114.95 1ugo n SER 41 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1ugo n SER 41 Cb 0.50 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1ugo n SER 41 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ugo n ASP 42 N 8.53 -1.76 -2.09 4.04 8.00 -1.26 -5.09 116.55 126.92 1ugo n ASP 42 Ca 0.57 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 56.04 1ugo n ASP 42 Cb 0.00 -0.88 0.01 0.00 -0.02 0.00 0.00 41.12 40.23 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 0.00 -1.10 -3.42 -2.24 2.03 -1.23 -4.98 116.55 105.61 1ugo n ASP 43 Ca 0.00 -1.68 -0.37 0.00 0.52 0.00 0.00 54.79 53.25 1ugo n ASP 43 Cb 0.00 1.81 -0.02 0.00 -0.72 0.00 0.00 41.12 42.19 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 -0.34 3.02 0.00 -0.67 4.76 -1.26 -3.27 118.16 120.40 1ugo n LYS 44 Ca -0.03 -2.15 0.00 0.00 -2.87 0.00 0.00 58.31 53.26 1ugo n LYS 44 Cb 0.32 -2.88 0.00 0.00 -1.84 0.00 0.00 35.03 30.63 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 4.67 0.00 -0.24 4.39 4.13 -1.26 -4.98 115.26 121.97 1ugo n ASN 45 Ca 0.64 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.94 1ugo n ASN 45 Cb 0.27 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.67 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 0.08 -0.80 3.10 5.03 -1.88 0.24 116.97 122.74 1ugo h TYR 46 Ca 0.00 0.05 0.19 0.00 2.58 0.00 0.00 58.73 61.55 1ugo h TYR 46 Cb 0.00 0.08 -0.13 0.00 1.55 0.00 0.00 36.73 38.23 1ugo h TYR 46 CO 0.00 -0.17 0.16 0.87 -1.32 0.00 0.00 178.16 177.71 1ugo h LYS 47 N 0.16 0.20 0.10 1.82 1.79 -1.94 0.21 116.57 118.92 1ugo h LYS 47 Ca 0.40 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1ugo h LYS 47 Cb 0.69 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1ugo h LYS 47 CO -0.58 0.13 -0.20 -0.09 -1.08 0.00 0.00 179.45 177.64 1ugo h ARG 48 N 0.21 -0.31 -0.38 3.15 2.43 -0.83 1.08 114.38 119.73 1ugo h ARG 48 Ca 0.47 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.71 1ugo h ARG 48 Cb 0.88 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 1ugo h ARG 48 CO -0.61 -0.21 -0.45 -0.07 -1.51 0.00 0.00 179.97 177.13 1ugo h LEU 49 N -0.32 -1.51 -1.24 3.80 3.38 -1.14 0.63 115.31 118.90 1ugo h LEU 49 Ca -0.01 0.20 0.23 0.00 0.09 0.00 0.00 57.88 58.39 1ugo h LEU 49 Cb 0.31 0.62 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1ugo h LEU 49 CO -0.08 -0.31 0.63 -0.08 0.09 0.00 0.00 178.44 178.70 1ugo h GLU 50 N -0.28 0.51 -0.36 1.13 4.81 -0.83 0.61 114.58 120.16 1ugo h GLU 50 Ca 0.07 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1ugo h GLU 50 Cb 0.46 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1ugo h GLU 50 CO -0.50 0.34 -0.14 0.00 -0.73 0.00 0.00 179.01 177.97 1ugo h ARG 51 N 0.52 0.65 0.45 1.92 2.47 0.62 -1.85 114.38 119.16 1ugo h ARG 51 Ca 0.58 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 59.06 1ugo h ARG 51 Cb 1.25 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1ugo h ARG 51 CO -0.32 0.76 -0.22 0.82 0.56 0.00 0.00 179.97 181.57 1ugo h ILE 52 N 0.59 0.00 -0.31 2.04 2.04 0.52 0.67 117.51 123.06 1ugo h ILE 52 Ca 0.10 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1ugo h ILE 52 Cb 0.58 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1ugo h ILE 52 CO 0.04 0.00 -0.40 -0.07 0.00 0.00 0.00 178.15 177.72 1ugo h LEU 53 N -0.63 -1.35 -0.42 1.44 -0.00 -1.38 1.52 115.31 114.49 1ugo h LEU 53 Ca -0.06 0.18 0.09 0.00 -0.00 0.00 0.00 57.88 58.08 1ugo h LEU 53 Cb 0.46 0.55 -0.09 0.00 -0.00 0.00 0.00 40.66 41.58 1ugo h LEU 53 CO 0.10 -0.28 -0.26 0.00 -0.00 0.00 0.00 178.44 177.99 1ugo h THR 54 N -0.28 0.31 0.01 0.22 1.03 -1.37 1.58 112.91 114.43 1ugo h THR 54 Ca 0.05 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.48 1ugo h THR 54 Cb 0.42 0.31 -0.04 0.00 -1.07 0.00 0.00 68.15 67.77 1ugo h THR 54 CO -0.44 0.00 -0.24 0.50 -0.01 0.00 0.00 175.52 175.33 1ugo h LYS 55 N -0.18 -0.37 -0.35 0.00 3.11 0.18 0.10 116.57 119.07 1ugo h LYS 55 Ca 0.20 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.09 1ugo h LYS 55 Cb 0.49 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1ugo h LYS 55 CO -0.53 -0.25 0.15 1.96 -2.81 0.00 0.00 179.45 177.97 1ugo h GLN 56 N -0.38 0.31 -0.21 1.90 1.08 0.34 -2.47 115.11 115.67 1ugo h GLN 56 Ca 0.06 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1ugo h GLN 56 Cb 0.46 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 1ugo h GLN 56 CO -0.21 0.20 -0.32 1.25 -0.95 0.00 0.00 178.83 178.81 1ugo h LEU 57 N 0.32 -1.02 -1.87 1.46 7.12 0.29 0.51 115.31 122.12 1ugo h LEU 57 Ca 0.15 0.16 0.16 0.00 0.13 0.00 0.00 57.88 58.48 1ugo h LEU 57 Cb 0.09 0.45 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1ugo h LEU 57 CO -0.13 -0.35 0.57 0.15 -0.13 0.00 0.00 178.44 178.56 1ugo h PHE 58 N -0.35 0.00 0.00 1.25 3.04 -0.38 0.91 116.94 121.41 1ugo h PHE 58 Ca 0.12 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.85 1ugo h PHE 58 Cb 0.54 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 1ugo h PHE 58 CO -0.44 0.00 -1.11 0.93 -2.02 0.00 0.00 178.31 175.67 1ugo h GLU 59 N 0.00 0.00 0.03 1.11 4.39 0.34 -2.70 114.58 117.75 1ugo h GLU 59 Ca 0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1ugo h GLU 59 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1ugo h GLU 59 CO -0.00 0.92 -0.01 0.82 -1.16 0.00 0.00 179.01 179.57 1ugo h ILE 60 N 0.00 1.20 0.00 3.13 2.04 0.27 -2.50 117.51 121.65 1ugo h ILE 60 Ca -0.05 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1ugo h ILE 60 Cb 1.80 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 1ugo h ILE 60 CO 0.12 0.18 -0.20 -0.78 0.00 0.00 0.00 178.15 177.48 1ugo h ASP 61 N -0.35 0.00 -0.37 1.72 3.58 -1.43 -1.76 116.42 117.81 1ugo h ASP 61 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1ugo h ASP 61 Cb 0.33 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1ugo h ASP 61 CO 0.01 0.20 0.14 0.28 -2.88 0.00 0.00 179.24 176.99 1ugo h SER 62 N 0.00 0.57 -2.65 2.28 0.02 -1.12 -3.39 113.55 109.26 1ugo h SER 62 Ca -0.00 -0.07 -0.56 0.00 -0.84 0.00 0.00 61.79 60.31 1ugo h SER 62 Cb 0.41 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1ugo h SER 62 CO 0.03 0.54 1.26 -0.69 -1.14 0.00 0.00 176.83 176.83 1ugo s VAL 63 N -5.24 3.52 1.24 2.27 1.01 -0.66 -4.97 120.40 117.57 1ugo s VAL 63 Ca -0.08 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 1ugo s VAL 63 Cb 0.16 -3.76 0.31 0.00 0.00 0.00 0.00 36.38 33.09 1ugo s VAL 63 CO 0.76 -0.53 1.00 -0.62 0.00 0.00 0.00 175.10 175.72 1ugo s ASP 64 N 6.10 0.40 0.02 3.32 2.15 -1.26 -5.01 116.67 122.40 1ugo s ASP 64 Ca 0.75 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.98 1ugo s ASP 64 Cb -0.20 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1ugo s ASP 64 CO 0.32 -4.52 0.00 0.35 -0.17 0.00 0.00 175.17 171.15 1ugo n THR 65 N -5.10 0.05 -2.99 1.71 -2.24 -1.26 -4.93 114.28 99.51 1ugo n THR 65 Ca 0.06 0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1ugo n THR 65 Cb 0.56 -0.91 0.06 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.78 -4.26 -3.52 -0.78 2.13 -1.26 -2.77 120.64 107.40 1ugo n GLU 66 Ca 0.00 0.62 -0.26 0.00 0.66 0.00 0.00 57.16 58.18 1ugo n GLU 66 Cb 0.18 -4.90 0.03 0.00 0.27 0.00 0.00 31.44 27.02 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 -1.13 -0.51 3.12 8.31 0.00 -1.26 -4.92 105.19 108.80 1ugo n GLY 67 Ca -0.18 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1ugo n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugo s LYS 68 N -6.21 2.69 0.32 1.61 1.02 -1.12 -4.93 119.74 113.12 1ugo s LYS 68 Ca 0.50 -2.53 0.10 0.00 0.02 0.00 0.00 55.97 54.06 1ugo s LYS 68 Cb -0.25 -3.81 0.92 0.00 -0.52 0.00 0.00 37.83 34.17 1ugo s LYS 68 CO 0.62 -1.19 1.69 0.78 -0.92 0.00 0.00 175.35 176.33 1ugo h GLY 69 N 7.11 1.87 0.87 -3.33 0.00 -1.91 1.47 103.07 109.15 1ugo h GLY 69 Ca -0.00 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.15 1ugo h GLY 69 CO 0.72 -0.35 0.50 -0.55 0.00 0.00 0.00 176.54 176.86 1ugo h ASP 70 N 0.42 0.00 0.00 0.19 3.32 -1.97 0.64 116.42 119.03 1ugo h ASP 70 Ca 0.66 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 57.32 1ugo h ASP 70 Cb 1.36 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.85 1ugo h ASP 70 CO -0.55 0.00 -2.29 -0.38 -1.72 0.00 0.00 179.24 174.30 1ugo n ILE 71 N -3.14 1.27 -0.35 0.35 5.41 0.48 -4.00 119.36 119.38 1ugo n ILE 71 Ca 0.03 -0.32 0.16 0.00 1.00 0.00 0.00 62.75 63.61 1ugo n ILE 71 Cb 0.61 -1.82 0.36 0.00 -0.71 0.00 0.00 39.64 38.09 1ugo n ILE 71 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1ugo h GLN 72 N -0.83 0.64 0.69 0.38 4.15 0.28 0.23 115.11 120.65 1ugo h GLN 72 Ca -0.59 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 58.76 1ugo h GLN 72 Cb 1.51 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 29.06 1ugo h GLN 72 CO -0.36 0.42 -0.33 1.96 -1.93 0.00 0.00 178.83 178.60 1ugo h GLN 73 N 0.66 -0.89 0.00 1.69 1.08 0.02 -1.06 115.11 116.61 1ugo h GLN 73 Ca 0.61 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1ugo h GLN 73 Cb 1.08 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1ugo h GLN 73 CO -0.41 -0.59 -0.04 0.00 -0.95 0.00 0.00 178.83 176.84 1ugo h ALA 74 N -1.33 -0.55 -0.76 3.87 0.00 -1.48 0.43 119.26 119.44 1ugo h ALA 74 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ugo h ALA 74 Cb 0.71 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1ugo h ALA 74 CO 0.16 -0.56 -0.45 0.54 0.00 0.00 0.00 179.25 178.94 1ugo n ARG 75 N -2.69 -0.33 -0.20 0.00 1.74 0.72 -0.08 116.66 115.82 1ugo n ARG 75 Ca -0.01 1.33 -0.07 0.00 -0.77 0.00 0.00 57.85 58.33 1ugo n ARG 75 Cb 0.03 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.46 29.45 1ugo n ARG 75 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1ugo h LYS 76 N 0.00 -0.07 -1.07 5.56 1.63 -0.90 1.83 116.57 123.54 1ugo h LYS 76 Ca 0.12 0.00 0.30 0.00 -0.85 0.00 0.00 60.65 60.23 1ugo h LYS 76 Cb 0.31 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 1ugo h LYS 76 CO -0.71 -0.05 0.75 0.00 -3.45 0.00 0.00 179.45 175.99 1ugo h ARG 77 N -0.08 0.09 0.06 1.90 2.47 0.13 0.94 114.38 119.91 1ugo h ARG 77 Ca 0.08 -0.01 -0.26 0.00 -1.26 0.00 0.00 59.98 58.53 1ugo h ARG 77 Cb 0.29 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1ugo h ARG 77 CO -0.51 0.06 -1.10 0.00 0.56 0.00 0.00 179.97 178.98 1ugo h ALA 78 N 1.50 0.18 -0.72 0.04 0.00 0.57 -1.40 119.26 119.42 1ugo h ALA 78 Ca 0.53 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ugo h ALA 78 Cb 1.94 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 1ugo h ALA 78 CO -0.07 0.80 0.44 0.00 0.00 0.00 0.00 179.25 180.41 1ugo h ALA 79 N 0.55 1.42 0.00 0.00 0.00 0.97 -1.33 119.26 120.86 1ugo h ALA 79 Ca -0.13 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 1ugo h ALA 79 Cb 1.77 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 19.28 1ugo h ALA 79 CO 0.20 0.51 -0.80 1.96 0.00 0.00 0.00 179.25 181.12 1ugo h GLN 80 N 0.99 0.54 -0.46 0.00 4.20 -1.02 -2.89 115.11 116.48 1ugo h GLN 80 Ca 0.26 -0.58 0.09 0.00 0.06 0.00 0.00 58.65 58.48 1ugo h GLN 80 Cb -0.05 0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.82 1ugo h GLN 80 CO -0.05 1.21 -0.05 1.49 -0.67 0.00 0.00 178.83 180.76 1ugo h GLU 81 N 0.12 0.06 0.45 1.46 4.22 -0.75 0.51 114.58 120.65 1ugo h GLU 81 Ca -0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.31 1ugo h GLU 81 Cb 1.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1ugo h GLU 81 CO 0.16 0.04 -0.22 1.15 -2.18 0.00 0.00 179.01 177.96 1ugo h THR 82 N 0.06 0.00 -0.73 0.32 2.02 -1.32 -2.38 112.91 110.88 1ugo h THR 82 Ca 0.23 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.55 1ugo h THR 82 Cb 0.34 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.61 1ugo h THR 82 CO -0.42 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 174.91 1ugo h GLU 83 N -0.61 -0.03 -0.76 6.66 4.39 -1.29 0.30 114.58 123.23 1ugo h GLU 83 Ca -0.06 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.79 1ugo h GLU 83 Cb 0.47 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.98 1ugo h GLU 83 CO 0.10 -0.02 -0.19 0.00 -1.16 0.00 0.00 179.01 177.74 1ugo h ARG 84 N -0.03 0.00 -0.36 2.33 3.08 0.11 0.36 114.38 119.86 1ugo h ARG 84 Ca 0.33 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 1ugo h ARG 84 Cb 0.55 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1ugo h ARG 84 CO -0.76 0.00 0.11 -0.07 -1.07 0.00 0.00 179.97 178.17 1ugo h LEU 85 N 0.00 0.52 -0.71 3.04 -0.00 0.02 -2.54 115.31 115.63 1ugo h LEU 85 Ca 0.36 -0.21 0.09 0.00 -0.00 0.00 0.00 57.88 58.12 1ugo h LEU 85 Cb 0.55 -0.14 -0.11 0.00 -0.00 0.00 0.00 40.66 40.97 1ugo h LEU 85 CO -0.78 0.59 -0.50 0.25 -0.00 0.00 0.00 178.44 178.00 1ugo h LEU 86 N 0.42 -1.77 0.02 1.67 6.46 0.19 0.98 115.31 123.29 1ugo h LEU 86 Ca 0.11 0.28 0.03 0.00 -0.12 0.00 0.00 57.88 58.18 1ugo h LEU 86 Cb 0.26 0.79 -0.05 0.00 -0.73 0.00 0.00 40.66 40.93 1ugo h LEU 86 CO -0.00 -0.32 -0.35 0.11 -0.62 0.00 0.00 178.44 177.26 1ugo h LYS 87 N -0.17 -0.50 -0.90 1.25 1.79 -1.06 -1.29 116.57 115.67 1ugo h LYS 87 Ca 0.17 0.03 0.22 0.00 -2.18 0.00 0.00 60.65 58.90 1ugo h LYS 87 Cb 0.53 0.11 -0.17 0.00 -1.58 0.00 0.00 32.23 31.13 1ugo h LYS 87 CO -0.78 -0.33 -0.08 0.39 -1.08 0.00 0.00 179.45 177.57 1ugo n GLU 88 N -5.43 -0.08 -0.24 3.15 -0.58 0.19 0.52 120.64 118.18 1ugo n GLU 88 Ca -0.05 1.38 -0.12 0.00 -0.42 0.00 0.00 57.16 57.94 1ugo n GLU 88 Cb 0.34 -2.13 -0.09 0.00 -0.57 0.00 0.00 31.44 28.99 1ugo n GLU 88 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ugo h LEU 89 N 0.00 -1.93 -0.88 -4.62 5.85 0.09 0.73 115.31 114.54 1ugo h LEU 89 Ca 0.50 0.27 0.24 0.00 0.84 0.00 0.00 57.88 59.73 1ugo h LEU 89 Cb 0.95 0.82 -0.14 0.00 0.37 0.00 0.00 40.66 42.66 1ugo h LEU 89 CO -0.88 -0.34 0.25 -0.33 -0.34 0.00 0.00 178.44 176.80 1ugo h GLU 90 N -0.25 0.21 0.27 1.25 5.08 0.07 1.33 114.58 122.53 1ugo h GLU 90 Ca 0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ugo h GLU 90 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ugo h GLU 90 CO -0.72 0.14 -0.13 1.96 -1.00 0.00 0.00 179.01 179.26 1ugo h GLN 91 N 0.22 -0.35 -1.15 2.33 4.20 0.26 -3.01 115.11 117.61 1ugo h GLN 91 Ca 0.56 0.02 0.33 0.00 0.06 0.00 0.00 58.65 59.63 1ugo h GLN 91 Cb 1.14 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 1ugo h GLN 91 CO -0.65 -0.23 0.85 -0.91 -0.67 0.00 0.00 178.83 177.21 1ugo h ASN 92 N -0.50 0.00 0.00 1.46 2.35 0.87 -2.43 115.58 117.33 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 -2.74 -0.04 0.00 -0.83 0.00 0.45 -4.44 120.51 112.91 1ugo n ALA 93 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ugo n ALA 93 Cb 1.23 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.89 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 -1.28 0.00 -4.71 0.00 2.88 -0.92 -3.10 113.62 106.50 1ugo n SER 94 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1ugo n SER 94 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.00 1.66 0.44 0.46 0.00 -1.26 -4.99 107.32 103.63 1ugo s GLY 95 Ca 0.00 0.26 -0.22 0.00 0.00 0.00 0.00 44.72 44.76 1ugo s GLY 95 CO 0.00 0.68 1.05 2.56 0.00 0.00 0.00 173.10 177.39 1ugo s PRO 96 N -4.81 3.98 -0.15 2.90 0.04 -1.26 -4.61 135.00 131.08 1ugo s PRO 96 Ca 0.64 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1ugo s PRO 96 Cb -0.19 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 1ugo s PRO 96 CO 0.57 -0.29 1.14 0.45 0.04 0.00 0.00 177.00 178.91 1ugo s SER 97 N -1.77 7.07 0.02 6.66 0.15 -1.26 -5.02 113.70 119.55 1ugo s SER 97 Ca 0.63 1.60 0.02 0.00 0.70 0.00 0.00 55.95 58.90 1ugo s SER 97 Cb -0.19 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1ugo s SER 97 CO 0.24 -0.64 -0.08 -0.44 1.20 0.00 0.00 173.24 173.52 1ugo s SER 98 N 1.48 0.91 0.00 5.45 0.01 -1.26 -5.16 113.70 115.13 1ugo s SER 98 Ca 0.51 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1ugo s SER 98 Cb -0.20 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1ugo s SER 98 CO 0.14 -0.03 0.09 0.61 0.41 0.00 0.00 173.24 174.47