#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 -0.17 0.00 1.61 0.15 -1.26 -5.16 113.70 108.87 1ugo s SER 2 Ca 0.00 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1ugo s SER 2 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ugo s SER 2 CO 0.00 -0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.13 1ugo n SER 3 N 1.55 0.00 0.00 5.45 2.88 -1.26 -5.12 113.62 117.12 1ugo n SER 3 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1ugo n SER 3 Cb 0.57 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 4 N -1.57 2.51 2.11 0.46 0.00 -1.26 -5.12 105.19 102.33 1ugo n GLY 4 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1ugo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugo n SER 5 N 0.00 -2.02 -2.63 1.61 7.64 -1.26 -5.13 113.62 111.83 1ugo n SER 5 Ca 0.00 0.66 -0.05 0.00 1.01 0.00 0.00 58.87 60.49 1ugo n SER 5 Cb 0.00 2.00 -0.04 0.00 -1.01 0.00 0.00 64.21 65.16 1ugo n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugo n SER 6 N -3.41 -1.65 0.00 6.43 2.88 -1.26 -5.06 113.62 111.55 1ugo n SER 6 Ca 0.00 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 1ugo n SER 6 Cb 0.00 -5.26 0.00 0.00 -0.75 0.00 0.00 64.21 58.20 1ugo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 7 N 1.57 0.84 3.30 0.46 0.00 -1.26 -5.09 105.19 105.00 1ugo n GLY 7 Ca -0.36 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 1ugo n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ugo n MET 8 N 0.00 0.00 -3.84 1.61 2.00 -1.26 -4.95 117.12 110.68 1ugo n MET 8 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 1ugo n MET 8 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 33.22 32.21 1ugo n MET 8 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1ugo s ASP 9 N -0.98 6.33 -0.29 7.83 -1.08 -1.26 -5.09 116.67 122.12 1ugo s ASP 9 Ca 0.61 0.18 0.02 0.00 -0.52 0.00 0.00 52.55 52.84 1ugo s ASP 9 Cb -0.78 -1.91 0.08 0.00 -1.46 0.00 0.00 42.92 38.85 1ugo s ASP 9 CO 0.58 -0.08 0.01 -0.32 0.52 0.00 0.00 175.17 175.88 1ugo s MET 10 N -3.83 1.40 0.00 4.34 -2.45 -1.26 -5.04 119.30 112.46 1ugo s MET 10 Ca 0.36 -1.34 0.00 0.00 -1.25 0.00 0.00 55.69 53.46 1ugo s MET 10 Cb -0.10 -2.68 0.00 0.00 1.25 0.00 0.00 34.83 33.30 1ugo s MET 10 CO 0.30 -0.80 0.00 0.41 1.05 0.00 0.00 175.02 175.98 1ugo n GLY 11 N 4.55 3.25 3.57 2.11 0.00 -1.26 -5.08 105.19 112.34 1ugo n GLY 11 Ca -0.04 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 1.95 5.17 -0.66 1.61 -0.87 -1.26 -4.90 114.94 115.98 1ugo s ASN 12 Ca 0.00 1.12 -0.25 0.00 -1.57 0.00 0.00 52.86 52.16 1ugo s ASN 12 Cb 0.00 -2.52 0.05 0.00 -0.02 0.00 0.00 41.25 38.76 1ugo s ASN 12 CO 0.00 -2.31 1.10 -1.58 -2.57 0.00 0.00 177.10 171.74 1ugo s GLN 13 N 6.99 3.23 0.27 -0.60 0.74 -1.26 -4.99 119.66 124.05 1ugo s GLN 13 Ca 0.87 -0.38 -0.27 0.00 0.05 0.00 0.00 55.36 55.63 1ugo s GLN 13 Cb -0.20 -4.15 -0.16 0.00 1.10 0.00 0.00 33.01 29.60 1ugo s GLN 13 CO 0.28 -1.86 0.61 1.58 -0.55 0.00 0.00 175.29 175.35 1ugo n HIS 14 N 8.36 -0.18 1.26 1.67 -0.00 -1.26 -4.79 115.22 120.28 1ugo n HIS 14 Ca 0.01 0.82 0.12 0.00 -0.00 0.00 0.00 57.72 58.67 1ugo n HIS 14 Cb 0.48 -2.02 0.63 0.00 -0.00 0.00 0.00 29.99 29.08 1ugo n HIS 14 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ugo n PRO 15 N 0.90 0.51 -0.09 1.57 -0.04 -1.26 -2.19 135.00 134.40 1ugo n PRO 15 Ca 0.14 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1ugo n PRO 15 Cb 0.30 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 1ugo n PRO 15 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ugo n SER 16 N -1.16 0.61 -0.02 3.54 7.64 -1.26 -3.77 113.62 119.19 1ugo n SER 16 Ca 0.14 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.86 1ugo n SER 16 Cb 0.14 0.95 -0.10 0.00 -1.01 0.00 0.00 64.21 64.19 1ugo n SER 16 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ugo h ILE 17 N 0.00 1.47 -0.82 0.44 1.08 -1.84 -2.51 117.51 115.33 1ugo h ILE 17 Ca -0.48 -1.87 -0.03 0.00 -0.39 0.00 0.00 64.86 62.10 1ugo h ILE 17 Cb 2.08 2.54 -0.04 0.00 -3.07 0.00 0.00 36.82 38.33 1ugo h ILE 17 CO 0.03 0.53 0.40 -1.28 -0.69 0.00 0.00 178.15 177.14 1ugo h SER 18 N -0.27 1.06 0.78 1.72 0.87 -1.66 -0.84 113.55 115.20 1ugo h SER 18 Ca -0.03 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1ugo h SER 18 Cb 1.05 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1ugo h SER 18 CO 0.07 0.89 -0.47 -0.09 -0.53 0.00 0.00 176.83 176.70 1ugo h ARG 19 N 1.15 -1.12 -0.92 2.24 9.65 -1.65 -1.25 114.38 122.49 1ugo h ARG 19 Ca 0.28 0.08 0.17 0.00 -1.10 0.00 0.00 59.98 59.41 1ugo h ARG 19 Cb 0.10 0.25 -0.08 0.00 -1.39 0.00 0.00 29.97 28.86 1ugo h ARG 19 CO -0.04 -0.75 0.59 -0.07 2.80 0.00 0.00 179.97 182.51 1ugo h LEU 20 N -1.16 0.62 -2.23 3.80 3.38 -1.33 1.11 115.31 119.48 1ugo h LEU 20 Ca -0.10 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ugo h LEU 20 Cb 0.93 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ugo h LEU 20 CO 0.11 0.28 -0.01 1.56 0.09 0.00 0.00 178.44 180.47 1ugo h GLN 21 N 0.63 0.00 0.00 1.13 4.20 -0.50 0.85 115.11 121.42 1ugo h GLN 21 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1ugo h GLN 21 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1ugo h GLN 21 CO -0.23 0.01 -0.99 0.39 -0.67 0.00 0.00 178.83 177.35 1ugo n GLU 22 N -3.15 0.01 -0.11 1.46 1.02 0.36 -3.67 120.64 116.56 1ugo n GLU 22 Ca -0.01 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.98 1ugo n GLU 22 Cb 0.19 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.97 1ugo n GLU 22 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ugo n ILE 23 N -1.51 1.46 -0.01 -3.67 5.41 0.21 -4.08 119.36 117.17 1ugo n ILE 23 Ca 0.04 -0.70 -0.13 0.00 1.00 0.00 0.00 62.75 62.96 1ugo n ILE 23 Cb 0.33 -1.01 -0.09 0.00 -0.71 0.00 0.00 39.64 38.16 1ugo n ILE 23 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ugo h GLN 24 N 0.00 0.02 -0.09 0.38 4.20 0.47 -2.49 115.11 117.61 1ugo h GLN 24 Ca -0.56 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.17 1ugo h GLN 24 Cb 2.06 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.83 1ugo h GLN 24 CO -0.03 0.41 0.18 0.07 -0.67 0.00 0.00 178.83 178.79 1ugo h ARG 25 N -0.37 0.00 0.19 1.46 0.11 -1.77 0.31 114.38 114.31 1ugo h ARG 25 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1ugo h ARG 25 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1ugo h ARG 25 CO 0.00 0.00 -0.09 0.93 0.10 0.00 0.00 179.97 180.91 1ugo h GLU 26 N 0.00 -0.25 -0.05 0.08 4.39 -1.62 0.35 114.58 117.48 1ugo h GLU 26 Ca 0.04 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1ugo h GLU 26 Cb 0.40 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1ugo h GLU 26 CO -0.00 0.06 -0.11 -0.39 -1.16 0.00 0.00 179.01 177.41 1ugo h VAL 27 N -0.98 1.11 0.00 3.13 -1.51 -0.94 0.12 116.25 117.18 1ugo h VAL 27 Ca -0.03 -0.50 -0.24 0.00 -1.23 0.00 0.00 66.70 64.70 1ugo h VAL 27 Cb 0.43 1.20 0.02 0.00 -2.13 0.00 0.00 31.29 30.81 1ugo h VAL 27 CO 0.04 0.15 -0.94 0.50 -1.23 0.00 0.00 177.57 176.09 1ugo h LYS 28 N 0.07 0.63 0.00 5.19 1.63 -0.46 1.09 116.57 124.72 1ugo h LYS 28 Ca 0.01 -0.68 0.00 0.00 -0.85 0.00 0.00 60.65 59.13 1ugo h LYS 28 Cb 0.24 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1ugo h LYS 28 CO 0.02 1.28 0.00 0.00 -3.45 0.00 0.00 179.45 177.29 1ugo n ALA 29 N -2.64 1.72 0.19 5.00 0.00 0.12 -1.80 120.51 123.11 1ugo n ALA 29 Ca -0.11 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.40 1ugo n ALA 29 Cb 0.83 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.09 0.00 -0.11 0.00 -6.64 0.34 -4.64 119.36 106.22 1ugo n ILE 30 Ca 0.03 -0.49 -0.06 0.00 -1.77 0.00 0.00 62.75 60.46 1ugo n ILE 30 Cb 0.24 1.08 0.02 0.00 -1.44 0.00 0.00 39.64 39.54 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 0.77 0.33 0.00 6.28 4.81 0.21 -0.39 114.58 126.59 1ugo h GLU 31 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ugo h GLU 31 Cb 0.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1ugo h GLU 31 CO 0.00 0.22 0.00 -0.35 -0.73 0.00 0.00 179.01 178.15 1ugo n PRO 32 N -4.97 0.17 0.16 0.92 -0.04 -1.26 -1.94 135.00 128.04 1ugo n PRO 32 Ca 0.01 0.26 0.02 0.00 -0.04 0.00 0.00 63.50 63.76 1ugo n PRO 32 Cb 0.11 -1.74 0.26 0.00 -0.04 0.00 0.00 33.50 32.09 1ugo n PRO 32 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ugo h GLN 33 N 0.00 0.00 0.05 0.54 4.20 -1.34 0.56 115.11 119.12 1ugo h GLN 33 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 1ugo h GLN 33 Cb 0.50 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 1ugo h GLN 33 CO 0.00 0.49 -2.23 1.33 -0.67 0.00 0.00 178.83 177.75 1ugo n VAL 34 N -3.72 1.61 0.01 -0.54 0.24 -1.06 -3.31 118.33 111.55 1ugo n VAL 34 Ca -0.01 -0.55 0.02 0.00 -2.04 0.00 0.00 64.34 61.75 1ugo n VAL 34 Cb 0.54 -1.62 0.35 0.00 -1.47 0.00 0.00 33.84 31.65 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ugo h VAL 35 N -0.12 1.16 -0.64 3.34 2.07 -1.42 -1.13 116.25 119.51 1ugo h VAL 35 Ca -0.52 -0.57 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 1ugo h VAL 35 Cb 1.89 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.39 1ugo h VAL 35 CO -0.06 0.21 0.14 0.61 0.02 0.00 0.00 177.57 178.49 1ugo n GLY 36 N -1.09 3.46 3.88 2.17 0.00 0.19 -4.95 105.19 108.84 1ugo n GLY 36 Ca 0.02 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.91 2.56 -0.34 1.61 5.36 -0.43 -4.96 117.98 118.87 1ugo s PHE 37 Ca 0.54 0.67 -0.02 0.00 -0.96 0.00 0.00 56.93 57.17 1ugo s PHE 37 Cb 0.43 -3.61 0.19 0.00 -0.34 0.00 0.00 43.02 39.69 1ugo s PHE 37 CO 0.14 -2.09 0.85 0.45 -1.46 0.00 0.00 175.22 173.11 1ugo s SER 38 N -4.54 -0.92 0.00 6.13 0.15 -1.26 -4.81 113.70 108.45 1ugo s SER 38 Ca 0.65 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1ugo s SER 38 Cb -0.10 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1ugo s SER 38 CO 0.51 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.44 1ugo n GLY 39 N 4.37 2.76 2.98 9.45 0.00 -1.21 -5.07 105.19 118.47 1ugo n GLY 39 Ca 0.08 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 2.22 -0.37 0.99 1.43 -1.26 -3.86 118.68 117.83 1ugo s LEU 40 Ca 0.00 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1ugo s LEU 40 Cb 0.00 0.07 -0.08 0.00 0.03 0.00 0.00 46.19 46.21 1ugo s LEU 40 CO 0.00 -0.27 2.30 -1.54 0.23 0.00 0.00 176.35 177.08 1ugo n SER 41 N 1.71 2.59 -1.43 2.29 3.41 -1.26 -3.44 113.62 117.50 1ugo n SER 41 Ca -0.23 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1ugo n SER 41 Cb 0.55 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 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 12.62 -1.90 -1.79 4.04 8.00 -1.26 -5.09 116.55 131.18 1ugo n ASP 42 Ca 0.36 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.81 1ugo n ASP 42 Cb 0.41 -0.95 -0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1ugo n ASP 42 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ugo n ASP 43 N -0.07 -0.72 -3.13 -2.24 9.92 -1.22 -4.96 116.55 114.12 1ugo n ASP 43 Ca 0.00 -1.73 -0.35 0.00 -0.53 0.00 0.00 54.79 52.18 1ugo n ASP 43 Cb 0.00 1.27 -0.05 0.00 -0.64 0.00 0.00 41.12 41.70 1ugo n ASP 43 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ugo n LYS 44 N -0.23 3.48 0.00 -1.24 5.02 -1.26 -2.92 118.16 121.02 1ugo n LYS 44 Ca -0.01 -2.05 0.00 0.00 -2.02 0.00 0.00 58.31 54.23 1ugo n LYS 44 Cb 0.24 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 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 3.42 0.00 -0.32 4.39 3.02 -1.26 -4.96 115.26 119.54 1ugo n ASN 45 Ca 0.74 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 55.25 1ugo n ASN 45 Cb 0.32 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.22 -0.36 3.10 5.03 -1.82 -2.64 116.97 121.50 1ugo h TYR 46 Ca 0.00 -0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.35 1ugo h TYR 46 Cb 0.00 -0.38 -0.07 0.00 1.55 0.00 0.00 36.73 37.82 1ugo h TYR 46 CO 0.00 0.86 -0.14 0.87 -1.32 0.00 0.00 178.16 178.43 1ugo h LYS 47 N 1.23 -0.07 0.08 1.82 1.79 -1.87 0.28 116.57 119.83 1ugo h LYS 47 Ca 0.30 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.79 1ugo h LYS 47 Cb 0.06 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 1ugo h LYS 47 CO -0.05 -0.04 -0.54 -0.09 -1.08 0.00 0.00 179.45 177.65 1ugo h ARG 48 N -0.07 -0.71 -0.14 3.15 9.65 -1.75 0.82 114.38 125.34 1ugo h ARG 48 Ca 0.18 0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.13 1ugo h ARG 48 Cb 0.34 0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1ugo h ARG 48 CO -0.41 -0.47 -0.33 -0.07 2.80 0.00 0.00 179.97 181.49 1ugo h LEU 49 N -0.73 -1.07 -0.85 3.80 3.38 -1.24 0.60 115.31 119.20 1ugo h LEU 49 Ca -0.00 0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.31 1ugo h LEU 49 Cb 0.75 0.43 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 1ugo h LEU 49 CO -0.31 -0.28 0.30 -0.08 0.09 0.00 0.00 178.44 178.16 1ugo h GLU 50 N -0.31 0.32 0.03 1.13 4.81 -0.65 -0.54 114.58 119.35 1ugo h GLU 50 Ca 0.03 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1ugo h GLU 50 Cb 0.39 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1ugo h GLU 50 CO -0.30 0.21 -0.47 0.00 -0.73 0.00 0.00 179.01 177.73 1ugo h ARG 51 N 0.33 -0.61 -0.93 1.92 3.08 0.28 1.48 114.38 119.93 1ugo h ARG 51 Ca 0.52 0.04 0.23 0.00 0.07 0.00 0.00 59.98 60.84 1ugo h ARG 51 Cb 0.98 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 31.05 1ugo h ARG 51 CO -0.55 -0.41 0.45 0.82 -1.07 0.00 0.00 179.97 179.21 1ugo h ILE 52 N -0.63 0.49 0.38 2.04 5.03 0.53 1.62 117.51 126.97 1ugo h ILE 52 Ca 0.03 -0.16 -0.02 0.00 -0.12 0.00 0.00 64.86 64.60 1ugo h ILE 52 Cb 0.69 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1ugo h ILE 52 CO -0.32 0.08 -0.18 -0.07 -0.68 0.00 0.00 178.15 176.98 1ugo h LEU 53 N 0.45 -0.43 -0.88 1.44 3.38 -0.33 0.20 115.31 119.14 1ugo h LEU 53 Ca 0.58 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.57 1ugo h LEU 53 Cb 1.11 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1ugo h LEU 53 CO -0.51 -0.02 0.47 0.00 0.09 0.00 0.00 178.44 178.48 1ugo h THR 54 N -0.95 0.76 0.50 0.22 1.03 0.35 0.57 112.91 115.39 1ugo h THR 54 Ca -0.05 -0.24 -0.02 0.00 -0.01 0.00 0.00 66.41 66.09 1ugo h THR 54 Cb 0.54 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 1ugo h THR 54 CO 0.09 0.13 -0.24 0.50 -0.01 0.00 0.00 175.52 175.98 1ugo h LYS 55 N 0.69 -0.65 -0.84 0.00 1.63 0.23 -1.64 116.57 115.99 1ugo h LYS 55 Ca 0.47 0.04 0.21 0.00 -0.85 0.00 0.00 60.65 60.53 1ugo h LYS 55 Cb 0.64 0.15 -0.13 0.00 -0.60 0.00 0.00 32.23 32.28 1ugo h LYS 55 CO -0.34 -0.43 0.19 1.96 -3.45 0.00 0.00 179.45 177.37 1ugo h GLN 56 N -0.88 0.20 0.23 1.90 1.08 -0.20 0.77 115.11 118.21 1ugo h GLN 56 Ca -0.07 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1ugo h GLN 56 Cb 0.52 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 1ugo h GLN 56 CO 0.11 0.13 -0.37 1.25 -0.95 0.00 0.00 178.83 179.00 1ugo h LEU 57 N 0.21 -1.06 -1.80 1.46 7.12 0.16 0.73 115.31 122.13 1ugo h LEU 57 Ca 0.51 0.11 0.27 0.00 0.13 0.00 0.00 57.88 58.89 1ugo h LEU 57 Cb 0.97 0.38 -0.04 0.00 -0.53 0.00 0.00 40.66 41.45 1ugo h LEU 57 CO -0.63 -0.48 0.81 0.15 -0.13 0.00 0.00 178.44 178.15 1ugo h PHE 58 N -0.68 0.00 0.02 1.25 3.04 0.14 1.52 116.94 122.23 1ugo h PHE 58 Ca 0.00 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.74 1ugo h PHE 58 Cb 0.66 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 1ugo h PHE 58 CO -0.28 0.00 -1.00 0.93 -2.02 0.00 0.00 178.31 175.94 1ugo h GLU 59 N 0.00 0.06 -0.73 1.11 4.39 -0.17 -2.84 114.58 116.40 1ugo h GLU 59 Ca 0.44 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 1ugo h GLU 59 Cb 2.04 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.70 1ugo h GLU 59 CO -0.00 1.01 0.36 0.82 -1.16 0.00 0.00 179.01 180.04 1ugo h ILE 60 N 0.02 1.23 0.00 3.13 2.04 0.33 -1.00 117.51 123.27 1ugo h ILE 60 Ca -0.03 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 1ugo h ILE 60 Cb 1.73 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1ugo h ILE 60 CO 0.14 0.27 -0.32 -0.78 0.00 0.00 0.00 178.15 177.46 1ugo h ASP 61 N 1.02 0.00 1.14 1.72 3.58 -1.46 -2.22 116.42 120.20 1ugo h ASP 61 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1ugo h ASP 61 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1ugo h ASP 61 CO -0.03 0.32 0.00 0.28 -2.88 0.00 0.00 179.24 176.92 1ugo h SER 62 N 0.00 0.00 -3.22 2.28 0.02 -0.96 -3.42 113.55 108.25 1ugo h SER 62 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 1ugo h SER 62 Cb 0.85 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 1ugo h SER 62 CO 0.04 0.00 0.87 -0.69 -1.14 0.00 0.00 176.83 175.91 1ugo s VAL 63 N -3.30 4.44 0.65 2.27 1.01 -0.71 -5.01 120.40 119.75 1ugo s VAL 63 Ca 0.06 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.60 1ugo s VAL 63 Cb 0.10 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1ugo s VAL 63 CO 0.51 -0.42 1.05 -0.62 0.00 0.00 0.00 175.10 175.62 1ugo s ASP 64 N 1.85 5.88 0.03 3.32 2.15 -1.26 -5.01 116.67 123.63 1ugo s ASP 64 Ca 0.48 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.88 1ugo s ASP 64 Cb -0.14 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1ugo s ASP 64 CO 0.16 -1.09 0.00 0.35 -0.17 0.00 0.00 175.17 174.41 1ugo n THR 65 N -2.89 0.29 -1.88 1.71 -2.24 -1.26 -4.86 114.28 103.16 1ugo n THR 65 Ca 0.06 0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1ugo n THR 65 Cb 0.54 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.34 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 -3.09 -0.83 -2.05 -0.78 2.13 -1.26 -3.38 120.64 111.38 1ugo n GLU 66 Ca 0.00 0.66 -0.03 0.00 0.66 0.00 0.00 57.16 58.44 1ugo n GLU 66 Cb 0.33 -4.71 0.02 0.00 0.27 0.00 0.00 31.44 27.34 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 -1.24 0.38 2.71 8.31 0.00 -1.26 -5.04 105.19 109.05 1ugo n GLY 67 Ca -0.12 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.68 1.17 0.18 1.61 1.02 -1.22 -5.01 119.74 113.81 1ugo s LYS 68 Ca 0.06 -1.83 -0.27 0.00 0.02 0.00 0.00 55.97 53.95 1ugo s LYS 68 Cb -0.01 -2.26 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1ugo s LYS 68 CO 0.16 -1.13 1.54 0.78 -0.92 0.00 0.00 175.35 175.79 1ugo h GLY 69 N 6.97 -0.60 -1.38 -3.33 0.00 -1.95 1.81 103.07 104.60 1ugo h GLY 69 Ca -0.03 0.72 0.46 0.00 0.00 0.00 0.00 47.33 48.49 1ugo h GLY 69 CO 0.47 -0.02 0.91 1.22 0.00 0.00 0.00 176.54 179.11 1ugo n ASP 70 N -5.31 0.17 -0.09 0.19 8.00 -1.26 0.20 116.55 118.44 1ugo n ASP 70 Ca 0.04 1.24 -0.12 0.00 0.71 0.00 0.00 54.79 56.65 1ugo n ASP 70 Cb 0.30 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 1ugo n ASP 70 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ugo n ILE 71 N -4.45 1.48 -0.32 0.53 5.41 0.50 -3.62 119.36 118.88 1ugo n ILE 71 Ca 0.38 0.07 0.18 0.00 1.00 0.00 0.00 62.75 64.39 1ugo n ILE 71 Cb 1.53 -2.25 0.37 0.00 -0.71 0.00 0.00 39.64 38.58 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 -1.00 0.18 0.86 0.38 -0.00 0.42 0.53 115.11 116.48 1ugo h GLN 72 Ca -0.16 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.44 1ugo h GLN 72 Cb 0.94 -0.04 0.01 0.00 0.00 0.00 0.00 27.48 28.39 1ugo h GLN 72 CO -0.10 0.12 -0.41 1.96 0.00 0.00 0.00 178.83 180.40 1ugo h GLN 73 N 0.18 -1.11 -0.08 1.69 4.20 0.20 0.18 115.11 120.37 1ugo h GLN 73 Ca 0.64 0.08 0.03 0.00 0.06 0.00 0.00 58.65 59.46 1ugo h GLN 73 Cb 1.41 0.25 -0.06 0.00 0.30 0.00 0.00 27.48 29.38 1ugo h GLN 73 CO -0.70 -0.74 -0.46 0.00 -0.67 0.00 0.00 178.83 176.26 1ugo h ALA 74 N -1.36 -0.72 -0.08 3.87 0.00 -1.07 1.51 119.26 121.41 1ugo h ALA 74 Ca -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ugo h ALA 74 Cb 0.88 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1ugo h ALA 74 CO 0.19 -0.99 -0.35 -0.09 0.00 0.00 0.00 179.25 178.01 1ugo h ARG 75 N -0.56 -0.37 -0.05 0.00 2.43 -0.05 1.62 114.38 117.40 1ugo h ARG 75 Ca 0.05 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1ugo h ARG 75 Cb 0.66 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1ugo h ARG 75 CO -0.38 -0.25 0.15 1.57 -1.51 0.00 0.00 179.97 179.55 1ugo h LYS 76 N -0.39 0.00 0.00 0.20 2.10 -0.24 0.77 116.57 119.00 1ugo h LYS 76 Ca 0.02 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.55 1ugo h LYS 76 Cb 0.45 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 1ugo h LYS 76 CO -0.28 0.00 -0.83 0.00 -2.00 0.00 0.00 179.45 176.34 1ugo h ARG 77 N 0.00 0.00 0.00 0.07 2.47 0.71 -3.27 114.38 114.37 1ugo h ARG 77 Ca 0.02 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.50 1ugo h ARG 77 Cb 0.33 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 1ugo h ARG 77 CO -0.00 0.39 -1.58 0.00 0.56 0.00 0.00 179.97 179.34 1ugo n ALA 78 N -2.28 1.68 0.35 0.04 0.00 0.50 -2.79 120.51 118.01 1ugo n ALA 78 Ca -0.02 -0.67 0.11 0.00 0.00 0.00 0.00 53.44 52.87 1ugo n ALA 78 Cb 0.76 -0.90 0.50 0.00 0.00 0.00 0.00 19.45 19.80 1ugo n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ugo n ALA 79 N -2.49 1.52 -0.13 0.00 0.00 0.20 -1.91 120.51 117.71 1ugo n ALA 79 Ca -0.14 0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1ugo n ALA 79 Cb 0.96 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.94 1ugo n ALA 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ugo n GLN 80 N -2.20 0.62 0.09 0.00 6.02 -1.23 -3.87 117.38 116.81 1ugo n GLN 80 Ca 0.01 0.23 -0.13 0.00 -0.01 0.00 0.00 57.00 57.10 1ugo n GLN 80 Cb 0.18 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 1ugo n GLN 80 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1ugo h GLU 81 N -0.51 -0.49 0.07 -1.09 4.81 -1.34 0.64 114.58 116.67 1ugo h GLU 81 Ca -0.62 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1ugo h GLU 81 Cb 1.75 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 31.20 1ugo h GLU 81 CO -0.25 -0.33 -0.26 1.15 -0.73 0.00 0.00 179.01 178.59 1ugo h THR 82 N -0.51 0.41 -0.05 0.32 2.02 -1.62 0.57 112.91 114.06 1ugo h THR 82 Ca 0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1ugo h THR 82 Cb 0.56 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1ugo h THR 82 CO -0.22 0.00 0.06 -0.33 0.37 0.00 0.00 175.52 175.40 1ugo h GLU 83 N -0.44 0.00 -0.02 6.66 4.39 -1.58 -1.61 114.58 121.97 1ugo h GLU 83 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ugo h GLU 83 Cb 0.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1ugo h GLU 83 CO -0.19 0.00 0.00 -0.09 -1.16 0.00 0.00 179.01 177.58 1ugo h ARG 84 N 0.00 0.03 -0.31 2.33 2.43 0.26 -3.02 114.38 116.10 1ugo h ARG 84 Ca 0.02 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1ugo h ARG 84 Cb 0.15 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1ugo h ARG 84 CO -0.00 0.29 0.19 -0.07 -1.51 0.00 0.00 179.97 178.87 1ugo h LEU 85 N -0.23 0.31 -1.72 3.80 3.38 -0.59 -0.16 115.31 120.11 1ugo h LEU 85 Ca 0.01 -0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.29 1ugo h LEU 85 Cb 0.27 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1ugo h LEU 85 CO 0.00 0.23 0.95 -0.07 0.09 0.00 0.00 178.44 179.64 1ugo h LEU 86 N 0.39 0.00 0.14 1.67 3.38 -1.35 1.32 115.31 120.86 1ugo h LEU 86 Ca 0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 1ugo h LEU 86 Cb -0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ugo h LEU 86 CO -0.05 0.00 -1.20 0.11 0.09 0.00 0.00 178.44 177.39 1ugo h LYS 87 N 0.00 0.29 -0.85 1.13 1.79 -0.93 -3.11 116.57 114.89 1ugo h LYS 87 Ca 0.51 -0.49 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1ugo h LYS 87 Cb 2.40 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 33.20 1ugo h LYS 87 CO -0.01 1.24 0.53 0.93 -1.08 0.00 0.00 179.45 181.06 1ugo h GLU 88 N -0.29 1.14 0.10 3.15 4.39 0.22 -1.83 114.58 121.45 1ugo h GLU 88 Ca -0.24 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1ugo h GLU 88 Cb 1.75 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 1ugo h GLU 88 CO 0.11 0.79 -0.09 1.25 -1.16 0.00 0.00 179.01 179.92 1ugo h LEU 89 N 1.16 -0.22 -1.44 1.33 5.85 -0.01 0.81 115.31 122.78 1ugo h LEU 89 Ca 0.31 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.21 1ugo h LEU 89 Cb -0.07 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1ugo h LEU 89 CO -0.06 -0.14 0.56 -0.33 -0.34 0.00 0.00 178.44 178.14 1ugo h GLU 90 N -0.20 0.50 0.17 1.25 5.08 -1.39 1.08 114.58 121.07 1ugo h GLU 90 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1ugo h GLU 90 Cb 0.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ugo h GLU 90 CO -0.01 0.33 -0.08 1.96 -1.00 0.00 0.00 179.01 180.20 1ugo h GLN 91 N 0.51 -0.22 -0.83 2.33 4.20 -0.46 -3.28 115.11 117.36 1ugo h GLN 91 Ca 0.44 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.36 1ugo h GLN 91 Cb 0.93 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 1ugo h GLN 91 CO -0.18 -0.12 0.56 -0.91 -0.67 0.00 0.00 178.83 177.52 1ugo h ASN 92 N -1.06 0.27 0.00 1.46 2.35 1.00 -2.89 115.58 116.71 1ugo h ASN 92 Ca -0.02 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ugo h ASN 92 Cb 0.20 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ugo h ASN 92 CO 0.04 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.94 1ugo n ALA 93 N -2.57 -0.01 0.00 -0.83 0.00 0.37 -4.50 120.51 112.96 1ugo n ALA 93 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1ugo n ALA 93 Cb 0.71 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.07 0.00 -4.24 0.00 2.88 -1.09 -3.29 113.62 106.81 1ugo n SER 94 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1ugo n SER 94 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 1.08 0.99 0.46 0.00 -1.26 -5.00 107.32 103.58 1ugo s GLY 95 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 44.72 43.19 1ugo s GLY 95 CO 0.00 -1.43 1.09 -1.55 0.00 0.00 0.00 173.10 171.21 1ugo n PRO 96 N 0.28 -2.03 -3.59 2.90 -0.04 -1.26 -4.57 135.00 126.68 1ugo n PRO 96 Ca -0.14 -1.71 -0.08 0.00 -0.04 0.00 0.00 63.50 61.54 1ugo n PRO 96 Cb 0.58 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 1ugo n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugo s SER 97 N -4.77 -0.26 -0.34 3.54 0.15 -1.26 -5.00 113.70 105.75 1ugo s SER 97 Ca 0.66 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 57.53 1ugo s SER 97 Cb -0.04 0.22 0.19 0.00 -1.71 0.00 0.00 66.02 64.68 1ugo s SER 97 CO 0.48 -0.26 0.92 -0.44 1.20 0.00 0.00 173.24 175.14 1ugo s SER 98 N -1.17 -0.71 0.00 5.45 0.01 -1.26 -5.18 113.70 110.84 1ugo s SER 98 Ca 0.02 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1ugo s SER 98 Cb -0.01 0.98 0.00 0.00 0.21 0.00 0.00 66.02 67.21 1ugo s SER 98 CO -0.02 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.16