#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 -6.25 -3.55 1.61 7.64 -1.26 -5.03 113.62 106.78 1ugo n SER 2 Ca 0.00 0.90 -0.11 0.00 1.01 0.00 0.00 58.87 60.67 1ugo n SER 2 Cb 0.00 -2.86 -0.04 0.00 -1.01 0.00 0.00 64.21 60.29 1ugo n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ugo s SER 3 N -0.81 -0.41 -0.30 6.43 1.04 -1.26 -5.16 113.70 113.23 1ugo s SER 3 Ca -0.04 0.33 -0.16 0.00 0.48 0.00 0.00 55.95 56.56 1ugo s SER 3 Cb 0.00 0.37 0.17 0.00 0.10 0.00 0.00 66.02 66.66 1ugo s SER 3 CO 0.27 -0.47 1.14 -0.83 0.98 0.00 0.00 173.24 174.34 1ugo s GLY 4 N -1.53 -0.20 0.01 7.32 0.00 -1.26 -5.17 107.32 106.49 1ugo s GLY 4 Ca -0.01 2.97 0.01 0.00 0.00 0.00 0.00 44.72 47.69 1ugo s GLY 4 CO -0.00 3.90 -0.05 -0.45 0.00 0.00 0.00 173.10 176.49 1ugo s SER 5 N 2.97 0.56 0.09 1.64 0.15 -1.26 -5.15 113.70 112.70 1ugo s SER 5 Ca -0.06 -0.21 -0.26 0.00 0.70 0.00 0.00 55.95 56.12 1ugo s SER 5 Cb -0.09 -0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.28 1ugo s SER 5 CO -0.09 -0.03 0.74 -0.55 1.20 0.00 0.00 173.24 174.51 1ugo s SER 6 N -0.53 -0.46 0.51 5.45 0.15 -1.26 -5.18 113.70 112.38 1ugo s SER 6 Ca -0.02 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.61 1ugo s SER 6 Cb -0.04 0.50 0.07 0.00 -1.71 0.00 0.00 66.02 64.84 1ugo s SER 6 CO -0.00 -0.82 0.49 0.61 1.20 0.00 0.00 173.24 174.72 1ugo n GLY 7 N -0.32 0.97 1.92 9.45 0.00 -1.26 -5.04 105.19 110.90 1ugo n GLY 7 Ca -0.13 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.89 0.00 -4.33 1.61 2.00 -1.26 -5.15 117.12 108.10 1ugo n MET 8 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.61 1ugo n MET 8 Cb 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.42 1ugo n MET 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ugo s ASP 9 N -2.00 2.13 -0.29 7.83 1.01 -1.26 -5.13 116.67 118.96 1ugo s ASP 9 Ca 0.00 -1.13 0.03 0.00 0.71 0.00 0.00 52.55 52.16 1ugo s ASP 9 Cb 0.00 -0.05 0.17 0.00 1.01 0.00 0.00 42.92 44.05 1ugo s ASP 9 CO 0.00 -0.38 0.47 -0.04 0.21 0.00 0.00 175.17 175.43 1ugo s MET 10 N -3.77 0.46 0.00 8.23 -1.94 -1.26 -5.03 119.30 115.99 1ugo s MET 10 Ca 0.25 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 1ugo s MET 10 Cb 0.04 -0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.78 1ugo s MET 10 CO 0.07 -1.00 0.00 0.41 -0.01 0.00 0.00 175.02 174.49 1ugo n GLY 11 N 5.38 -1.04 3.16 -0.03 0.00 -1.26 -5.11 105.19 106.29 1ugo n GLY 11 Ca 0.02 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.33 3.14 -0.76 1.61 0.01 -1.26 -5.07 114.94 110.27 1ugo s ASN 12 Ca 0.00 -0.61 -0.20 0.00 -0.71 0.00 0.00 52.86 51.34 1ugo s ASN 12 Cb 0.00 -1.46 0.11 0.00 0.41 0.00 0.00 41.25 40.31 1ugo s ASN 12 CO 0.00 0.05 0.97 -1.58 -1.51 0.00 0.00 177.10 175.03 1ugo s GLN 13 N 0.97 3.32 0.28 -0.60 0.74 -1.26 -5.01 119.66 118.10 1ugo s GLN 13 Ca -0.03 -1.40 -0.25 0.00 0.05 0.00 0.00 55.36 53.73 1ugo s GLN 13 Cb -0.15 -4.53 -0.16 0.00 1.10 0.00 0.00 33.01 29.27 1ugo s GLN 13 CO -0.05 -1.72 0.34 1.58 -0.55 0.00 0.00 175.29 174.89 1ugo n HIS 14 N 6.76 -1.14 1.36 1.67 -0.00 -1.26 -4.77 115.22 117.84 1ugo n HIS 14 Ca 0.07 0.83 0.12 0.00 -0.00 0.00 0.00 57.72 58.74 1ugo n HIS 14 Cb 0.46 -1.88 0.67 0.00 -0.00 0.00 0.00 29.99 29.24 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 1.13 0.61 -0.12 1.57 -0.04 -1.26 -2.67 135.00 134.23 1ugo n PRO 15 Ca 0.15 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.47 1ugo n PRO 15 Cb 0.31 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.09 2.02 0.18 3.54 7.64 -1.26 -3.94 113.62 120.71 1ugo n SER 16 Ca 0.16 -0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.77 1ugo n SER 16 Cb 0.11 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.72 -0.77 0.44 1.08 -1.87 -0.85 117.51 116.26 1ugo h ILE 17 Ca -0.55 -0.25 0.13 0.00 -0.39 0.00 0.00 64.86 63.79 1ugo h ILE 17 Cb 1.86 0.86 -0.09 0.00 -3.07 0.00 0.00 36.82 36.39 1ugo h ILE 17 CO -0.08 0.05 0.36 -1.28 -0.69 0.00 0.00 178.15 176.51 1ugo h SER 18 N -0.55 0.42 0.59 1.72 0.87 -1.74 0.19 113.55 115.05 1ugo h SER 18 Ca -0.04 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1ugo h SER 18 Cb 0.40 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ugo h SER 18 CO 0.07 0.20 -0.39 -0.09 -0.53 0.00 0.00 176.83 176.08 1ugo h ARG 19 N 0.56 -0.91 -0.99 2.24 9.65 -1.62 0.43 114.38 123.74 1ugo h ARG 19 Ca 0.41 0.06 0.16 0.00 -1.10 0.00 0.00 59.98 59.50 1ugo h ARG 19 Cb 0.54 0.21 -0.09 0.00 -1.39 0.00 0.00 29.97 29.23 1ugo h ARG 19 CO -0.34 -0.61 0.62 -0.07 2.80 0.00 0.00 179.97 182.37 1ugo h LEU 20 N -0.94 0.82 -1.09 3.80 3.38 -0.45 0.67 115.31 121.50 1ugo h LEU 20 Ca -0.07 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1ugo h LEU 20 Cb 0.78 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1ugo h LEU 20 CO 0.05 0.37 -0.30 1.56 0.09 0.00 0.00 178.44 180.21 1ugo h GLN 21 N 0.84 0.26 0.00 1.13 4.20 0.02 1.44 115.11 123.00 1ugo h GLN 21 Ca 0.53 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 59.07 1ugo h GLN 21 Cb 0.72 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1ugo h GLN 21 CO -0.30 0.54 -0.35 0.93 -0.67 0.00 0.00 178.83 178.98 1ugo h GLU 22 N 0.23 0.00 0.12 1.46 4.39 0.44 -2.52 114.58 118.69 1ugo h GLU 22 Ca 0.03 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.37 1ugo h GLU 22 Cb 0.66 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1ugo h GLU 22 CO 0.05 0.35 -2.00 -0.89 -1.16 0.00 0.00 179.01 175.36 1ugo n ILE 23 N -3.19 1.77 0.06 3.13 5.41 0.19 -3.65 119.36 123.08 1ugo n ILE 23 Ca 0.03 -0.66 -0.13 0.00 1.00 0.00 0.00 62.75 62.99 1ugo n ILE 23 Cb 0.67 -1.69 -0.08 0.00 -0.71 0.00 0.00 39.64 37.83 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 0.07 -0.06 -0.53 0.38 4.20 0.19 -1.55 115.11 117.80 1ugo h GLN 24 Ca -0.42 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.41 1ugo h GLN 24 Cb 2.03 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.80 1ugo h GLN 24 CO 0.09 0.03 0.37 0.07 -0.67 0.00 0.00 178.83 178.71 1ugo h ARG 25 N -0.13 0.21 0.64 1.46 0.11 -1.63 0.50 114.38 115.53 1ugo h ARG 25 Ca -0.01 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1ugo h ARG 25 Cb 0.12 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 31.16 1ugo h ARG 25 CO 0.01 0.14 -0.31 0.93 0.10 0.00 0.00 179.97 180.84 1ugo h GLU 26 N 0.21 -0.82 -0.02 0.08 4.39 -1.45 1.21 114.58 118.18 1ugo h GLU 26 Ca 0.25 0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.01 1ugo h GLU 26 Cb 0.70 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1ugo h GLU 26 CO -0.05 -0.55 0.02 -0.39 -1.16 0.00 0.00 179.01 176.88 1ugo h VAL 27 N -1.18 0.87 0.08 3.13 -1.51 -0.81 -0.41 116.25 116.42 1ugo h VAL 27 Ca -0.09 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.09 1ugo h VAL 27 Cb 0.66 0.99 0.03 0.00 -2.13 0.00 0.00 31.29 30.83 1ugo h VAL 27 CO 0.14 0.00 -1.18 0.50 -1.23 0.00 0.00 177.57 175.81 1ugo h LYS 28 N 0.00 0.65 0.00 5.19 1.63 0.10 0.59 116.57 124.73 1ugo h LYS 28 Ca 0.01 -0.81 0.00 0.00 -0.85 0.00 0.00 60.65 59.00 1ugo h LYS 28 Cb 0.04 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1ugo h LYS 28 CO -0.00 1.36 0.00 0.00 -3.45 0.00 0.00 179.45 177.36 1ugo n ALA 29 N -2.67 1.58 0.04 5.00 0.00 0.42 -1.12 120.51 123.75 1ugo n ALA 29 Ca -0.13 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1ugo n ALA 29 Cb 0.95 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.67 0.46 -0.19 0.00 -6.64 -0.31 -4.63 119.36 106.38 1ugo n ILE 30 Ca 0.03 -0.73 -0.09 0.00 -1.77 0.00 0.00 62.75 60.19 1ugo n ILE 30 Cb 0.16 0.80 0.01 0.00 -1.44 0.00 0.00 39.64 39.17 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 0.50 0.88 0.00 6.28 4.81 0.71 -1.74 114.58 126.03 1ugo h GLU 31 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1ugo h GLU 31 Cb 0.31 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1ugo h GLU 31 CO 0.00 0.85 0.00 -0.35 -0.73 0.00 0.00 179.01 178.78 1ugo n PRO 32 N -4.38 0.72 0.00 0.92 -0.04 -1.26 -1.73 135.00 129.24 1ugo n PRO 32 Ca 0.02 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1ugo n PRO 32 Cb 0.25 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1ugo n PRO 32 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ugo n GLN 33 N -1.02 0.02 -0.03 0.54 6.02 -0.66 -3.68 117.38 118.58 1ugo n GLN 33 Ca 0.18 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.13 1ugo n GLN 33 Cb 0.09 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 1ugo n GLN 33 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ugo n VAL 34 N -1.54 0.41 -0.22 5.09 3.14 -0.90 -4.02 118.33 120.30 1ugo n VAL 34 Ca 0.05 -0.23 -0.07 0.00 -2.96 0.00 0.00 64.34 61.13 1ugo n VAL 34 Cb 0.34 -0.82 0.03 0.00 -1.06 0.00 0.00 33.84 32.33 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1ugo h VAL 35 N 0.00 1.20 -0.67 1.55 2.07 -1.50 -2.56 116.25 116.33 1ugo h VAL 35 Ca -0.16 -0.50 -0.38 0.00 0.82 0.00 0.00 66.70 66.48 1ugo h VAL 35 Cb 1.34 0.42 -0.22 0.00 -1.52 0.00 0.00 31.29 31.31 1ugo h VAL 35 CO -0.00 0.21 0.22 0.61 0.02 0.00 0.00 177.57 178.63 1ugo n GLY 36 N -1.04 5.01 3.86 2.17 0.00 -1.24 -5.00 105.19 108.94 1ugo n GLY 36 Ca 0.04 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.37 3.43 -0.24 1.61 5.36 -0.96 -4.99 117.98 118.82 1ugo s PHE 37 Ca 0.52 1.14 -0.07 0.00 -0.96 0.00 0.00 56.93 57.56 1ugo s PHE 37 Cb 0.44 -2.50 0.11 0.00 -0.34 0.00 0.00 43.02 40.74 1ugo s PHE 37 CO 0.04 -0.04 0.48 -1.12 -1.46 0.00 0.00 175.22 173.12 1ugo s SER 38 N -2.79 -0.50 0.00 6.13 0.01 -1.26 -4.61 113.70 110.68 1ugo s SER 38 Ca 0.53 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1ugo s SER 38 Cb -0.10 1.62 0.00 0.00 0.21 0.00 0.00 66.02 67.75 1ugo s SER 38 CO 0.26 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1ugo n GLY 39 N 5.41 4.42 3.13 3.44 0.00 -1.20 -5.01 105.19 115.38 1ugo n GLY 39 Ca -0.08 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.24 -2.52 0.99 4.77 -1.26 -4.14 117.00 111.60 1ugo n LEU 40 Ca 0.00 0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 1ugo n LEU 40 Cb 0.00 -0.79 -0.11 0.00 -2.33 0.00 0.00 43.42 40.19 1ugo n LEU 40 CO 0.00 -3.78 2.32 -1.54 -1.33 0.00 0.00 177.39 173.06 1ugo n SER 41 N 1.56 6.59 0.00 -1.43 3.41 -1.26 -3.41 113.62 119.08 1ugo n SER 41 Ca -0.00 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1ugo n SER 41 Cb 0.64 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1ugo n SER 41 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ugo n ASP 42 N 2.94 0.00 -4.64 4.04 5.75 -1.26 -4.94 116.55 118.44 1ugo n ASP 42 Ca 0.57 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 55.05 1ugo n ASP 42 Cb 0.64 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.00 3.82 -0.94 -1.12 2.15 -1.22 -4.98 116.67 114.39 1ugo s ASP 43 Ca 0.00 -1.49 -0.16 0.00 0.43 0.00 0.00 52.55 51.33 1ugo s ASP 43 Cb 0.00 0.01 -0.10 0.00 -0.30 0.00 0.00 42.92 42.53 1ugo s ASP 43 CO 0.00 -0.64 2.06 0.29 -0.17 0.00 0.00 175.17 176.71 1ugo n LYS 44 N -1.06 1.93 0.00 4.34 5.02 -1.26 -2.47 118.16 124.66 1ugo n LYS 44 Ca -0.10 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 1ugo n LYS 44 Cb 0.67 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ugo n ASN 45 N 6.23 0.00 0.01 4.39 5.15 -1.26 -4.98 115.26 124.80 1ugo n ASN 45 Ca 0.50 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.36 1ugo n ASN 45 Cb 0.32 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.51 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ugo h TYR 46 N 0.00 0.09 -0.11 1.20 5.03 -1.78 -2.67 116.97 118.72 1ugo h TYR 46 Ca 0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1ugo h TYR 46 Cb 0.00 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 1ugo h TYR 46 CO 0.00 0.09 -0.13 0.87 -1.32 0.00 0.00 178.16 177.67 1ugo h LYS 47 N 0.06 -0.07 -0.26 1.82 1.79 -1.91 0.23 116.57 118.23 1ugo h LYS 47 Ca 0.02 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1ugo h LYS 47 Cb 0.02 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1ugo h LYS 47 CO -0.00 -0.05 -0.16 -0.09 -1.08 0.00 0.00 179.45 178.07 1ugo h ARG 48 N -0.08 -0.00 -0.33 3.15 2.43 -1.85 0.48 114.38 118.18 1ugo h ARG 48 Ca 0.02 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1ugo h ARG 48 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1ugo h ARG 48 CO -0.15 -0.00 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.04 1ugo h LEU 49 N -0.00 -0.72 -0.82 3.80 4.07 -1.09 0.52 115.31 121.06 1ugo h LEU 49 Ca 0.04 0.11 0.14 0.00 0.08 0.00 0.00 57.88 58.25 1ugo h LEU 49 Cb 0.11 0.32 -0.14 0.00 1.08 0.00 0.00 40.66 42.03 1ugo h LEU 49 CO -0.24 -0.08 -0.35 -0.08 -1.08 0.00 0.00 178.44 176.60 1ugo h GLU 50 N -0.00 -0.06 -0.08 1.13 4.81 0.53 0.18 114.58 121.08 1ugo h GLU 50 Ca 0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1ugo h GLU 50 Cb 0.14 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 1ugo h GLU 50 CO -0.31 -0.04 -0.36 0.00 -0.73 0.00 0.00 179.01 177.57 1ugo h ARG 51 N -0.07 -0.44 -0.22 1.92 3.08 0.32 0.97 114.38 119.94 1ugo h ARG 51 Ca 0.31 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.43 1ugo h ARG 51 Cb 0.58 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 1ugo h ARG 51 CO -0.86 -0.30 -0.45 0.82 -1.07 0.00 0.00 179.97 178.11 1ugo h ILE 52 N -0.46 0.10 0.33 2.04 2.04 0.25 1.46 117.51 123.28 1ugo h ILE 52 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1ugo h ILE 52 Cb 0.58 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1ugo h ILE 52 CO -0.34 0.00 -0.45 -0.07 0.00 0.00 0.00 178.15 177.29 1ugo h LEU 53 N -0.46 -1.27 -1.57 1.44 3.38 -0.18 1.32 115.31 117.97 1ugo h LEU 53 Ca 0.08 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.40 1ugo h LEU 53 Cb 0.63 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 1ugo h LEU 53 CO -0.46 -0.57 0.62 0.00 0.09 0.00 0.00 178.44 178.12 1ugo h THR 54 N -0.83 0.63 0.15 0.22 1.03 0.17 0.83 112.91 115.11 1ugo h THR 54 Ca -0.02 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.25 1ugo h THR 54 Cb 0.77 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 1ugo h THR 54 CO -0.13 0.06 -0.07 0.11 -0.01 0.00 0.00 175.52 175.47 1ugo h LYS 55 N 0.34 -0.19 -0.50 0.00 6.56 0.37 -2.25 116.57 120.89 1ugo h LYS 55 Ca 0.48 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 60.17 1ugo h LYS 55 Cb 1.32 0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 32.96 1ugo h LYS 55 CO -0.17 0.22 0.13 1.96 -2.06 0.00 0.00 179.45 179.53 1ugo h GLN 56 N -0.91 0.27 0.34 3.15 1.08 0.29 -1.82 115.11 117.51 1ugo h GLN 56 Ca -0.02 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ugo h GLN 56 Cb 0.51 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1ugo h GLN 56 CO 0.03 0.18 -0.41 1.25 -0.95 0.00 0.00 178.83 178.93 1ugo h LEU 57 N 0.27 -1.14 -1.75 1.46 7.12 0.54 0.46 115.31 122.28 1ugo h LEU 57 Ca 0.25 0.10 0.26 0.00 0.13 0.00 0.00 57.88 58.62 1ugo h LEU 57 Cb 0.32 0.39 -0.04 0.00 -0.53 0.00 0.00 40.66 40.81 1ugo h LEU 57 CO -0.30 -0.54 0.82 0.15 -0.13 0.00 0.00 178.44 178.43 1ugo h PHE 58 N -0.79 0.00 0.06 1.25 3.57 -0.81 1.49 116.94 121.71 1ugo h PHE 58 Ca -0.02 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.24 1ugo h PHE 58 Cb 0.73 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1ugo h PHE 58 CO -0.25 0.00 -1.11 0.93 -2.23 0.00 0.00 178.31 175.64 1ugo h GLU 59 N 0.00 0.15 0.11 1.11 4.39 -0.16 -3.05 114.58 117.13 1ugo h GLU 59 Ca 0.42 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1ugo h GLU 59 Cb 2.06 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 1ugo h GLU 59 CO -0.00 1.11 -0.05 0.82 -1.16 0.00 0.00 179.01 179.72 1ugo h ILE 60 N 0.04 0.96 0.00 3.13 2.04 0.34 -0.31 117.51 123.71 1ugo h ILE 60 Ca -0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1ugo h ILE 60 Cb 1.86 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1ugo h ILE 60 CO 0.17 0.06 -0.00 -0.78 0.00 0.00 0.00 178.15 177.60 1ugo h ASP 61 N -0.27 0.00 0.80 1.72 1.82 -1.47 0.14 116.42 119.16 1ugo h ASP 61 Ca -0.02 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.45 1ugo h ASP 61 Cb 0.22 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 1ugo h ASP 61 CO 0.03 0.00 -0.83 -1.28 -1.61 0.00 0.00 179.24 175.54 1ugo h SER 62 N 0.00 0.02 -2.51 2.28 0.87 -1.17 -3.43 113.55 109.61 1ugo h SER 62 Ca -0.00 -0.02 -0.57 0.00 -1.23 0.00 0.00 61.79 59.97 1ugo h SER 62 Cb 0.00 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1ugo h SER 62 CO 0.00 0.85 1.24 -0.69 -0.53 0.00 0.00 176.83 177.70 1ugo s VAL 63 N -3.12 3.40 0.53 2.23 1.01 0.48 -4.96 120.40 119.96 1ugo s VAL 63 Ca -0.00 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1ugo s VAL 63 Cb 0.11 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1ugo s VAL 63 CO 0.80 -0.18 1.04 -0.62 0.00 0.00 0.00 175.10 176.14 1ugo s ASP 64 N 5.35 6.13 -0.11 3.32 2.15 -1.26 -4.98 116.67 127.27 1ugo s ASP 64 Ca 0.82 1.87 0.03 0.00 0.43 0.00 0.00 52.55 55.71 1ugo s ASP 64 Cb -0.30 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 39.68 1ugo s ASP 64 CO 0.33 -0.93 -0.06 0.35 -0.17 0.00 0.00 175.17 174.69 1ugo n THR 65 N -1.40 0.69 -2.01 1.71 -2.24 -1.26 -4.88 114.28 104.89 1ugo n THR 65 Ca 0.09 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1ugo n THR 65 Cb 0.53 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 1ugo n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugo n GLU 66 N -2.70 -1.58 -2.66 -0.78 1.02 -1.26 -2.30 120.64 110.38 1ugo n GLU 66 Ca -0.20 1.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.96 1ugo n GLU 66 Cb 0.76 -5.64 0.05 0.00 -0.02 0.00 0.00 31.44 26.58 1ugo n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ugo n GLY 67 N -0.70 -0.25 2.80 0.62 0.00 -1.26 -5.03 105.19 101.37 1ugo n GLY 67 Ca -0.23 0.12 -0.30 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 -4.17 0.90 0.18 1.61 1.02 -0.97 -5.01 119.74 113.30 1ugo s LYS 68 Ca 0.19 -1.20 -0.22 0.00 0.02 0.00 0.00 55.97 54.76 1ugo s LYS 68 Cb -0.02 -2.25 0.09 0.00 -0.52 0.00 0.00 37.83 35.12 1ugo s LYS 68 CO 0.45 -0.95 1.42 0.41 -0.92 0.00 0.00 175.35 175.76 1ugo n GLY 69 N 4.73 -2.12 0.37 -3.33 0.00 -1.26 0.18 105.19 103.76 1ugo n GLY 69 Ca -0.02 1.06 -0.03 0.00 0.00 0.00 0.00 46.02 47.03 1ugo n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ugo n ASP 70 N -5.26 -0.70 0.12 1.61 8.00 -1.26 0.20 116.55 119.25 1ugo n ASP 70 Ca 0.06 1.64 -0.08 0.00 0.71 0.00 0.00 54.79 57.12 1ugo n ASP 70 Cb 0.31 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 1ugo n ASP 70 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ugo h ILE 71 N 0.00 0.18 -0.88 0.53 2.04 -0.42 -2.86 117.51 116.11 1ugo h ILE 71 Ca 0.28 -0.79 0.14 0.00 1.00 0.00 0.00 64.86 65.49 1ugo h ILE 71 Cb 0.52 0.31 -0.14 0.00 -0.74 0.00 0.00 36.82 36.76 1ugo h ILE 71 CO -0.92 0.05 -0.34 1.67 0.00 0.00 0.00 178.15 178.61 1ugo n GLN 72 N -5.03 -0.20 0.25 2.37 7.27 0.49 0.81 117.38 123.33 1ugo n GLN 72 Ca -0.06 1.35 -0.18 0.00 0.07 0.00 0.00 57.00 58.18 1ugo n GLN 72 Cb 0.19 -2.00 -0.10 0.00 2.41 0.00 0.00 30.24 30.75 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 -0.90 0.06 3.69 1.08 0.21 0.30 115.11 119.55 1ugo h GLN 73 Ca 0.31 0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.58 1ugo h GLN 73 Cb 0.52 0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 1ugo h GLN 73 CO -0.87 -0.60 -0.45 0.00 -0.95 0.00 0.00 178.83 175.97 1ugo h ALA 74 N -0.73 -0.91 -0.02 3.87 0.00 -0.24 1.48 119.26 122.72 1ugo h ALA 74 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ugo h ALA 74 Cb 0.83 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ugo h ALA 74 CO -0.11 -1.03 -0.02 -0.09 0.00 0.00 0.00 179.25 178.00 1ugo h ARG 75 N -0.60 -0.01 -0.99 0.00 2.43 0.56 1.54 114.38 117.31 1ugo h ARG 75 Ca 0.00 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.41 1ugo h ARG 75 Cb 0.62 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.05 1ugo h ARG 75 CO -0.27 -0.01 0.57 1.57 -1.51 0.00 0.00 179.97 180.32 1ugo h LYS 76 N -0.01 0.56 0.00 0.20 2.10 -0.24 1.71 116.57 120.90 1ugo h LYS 76 Ca 0.00 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 1ugo h LYS 76 Cb 0.02 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 1ugo h LYS 76 CO -0.02 0.37 -0.21 0.00 -2.00 0.00 0.00 179.45 177.59 1ugo h ARG 77 N 0.58 0.00 0.12 0.07 2.47 0.48 -2.24 114.38 115.85 1ugo h ARG 77 Ca 0.62 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 59.02 1ugo h ARG 77 Cb 1.15 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1ugo h ARG 77 CO -0.47 0.21 -1.71 0.00 0.56 0.00 0.00 179.97 178.56 1ugo h ALA 78 N 1.79 0.36 0.00 0.04 0.00 1.27 -1.94 119.26 120.77 1ugo h ALA 78 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1ugo h ALA 78 Cb 0.41 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ugo h ALA 78 CO 0.03 1.22 0.00 0.00 0.00 0.00 0.00 179.25 180.51 1ugo h ALA 79 N 0.39 1.00 0.00 0.00 0.00 0.23 -1.53 119.26 119.35 1ugo h ALA 79 Ca -0.31 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.14 1ugo h ALA 79 Cb 2.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 1ugo h ALA 79 CO 0.14 -0.00 -2.54 1.04 0.00 0.00 0.00 179.25 177.88 1ugo n GLN 80 N -2.85 0.59 -0.22 0.00 6.02 -0.88 -3.91 117.38 116.14 1ugo n GLN 80 Ca -0.03 0.26 -0.03 0.00 -0.01 0.00 0.00 57.00 57.19 1ugo n GLN 80 Cb 0.06 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.86 1ugo n GLN 80 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ugo h GLU 81 N -0.96 -0.10 0.78 -1.09 3.07 -0.97 1.42 114.58 116.73 1ugo h GLU 81 Ca -0.70 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.13 1ugo h GLU 81 Cb 1.63 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.56 1ugo h GLU 81 CO -0.41 -0.07 -0.47 1.15 -1.40 0.00 0.00 179.01 177.81 1ugo h THR 82 N -0.11 0.00 0.00 1.13 2.02 -1.53 -0.96 112.91 113.47 1ugo h THR 82 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1ugo h THR 82 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1ugo h THR 82 CO -0.69 0.00 0.08 -0.33 0.37 0.00 0.00 175.52 174.95 1ugo h GLU 83 N -1.17 0.00 -0.04 6.66 4.39 -1.46 -0.29 114.58 122.67 1ugo h GLU 83 Ca -0.11 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 1ugo h GLU 83 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1ugo h GLU 83 CO 0.11 0.00 -0.30 0.00 -1.16 0.00 0.00 179.01 177.66 1ugo h ARG 84 N 0.00 0.27 -0.23 2.33 3.08 0.32 -3.25 114.38 116.90 1ugo h ARG 84 Ca 0.00 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1ugo h ARG 84 Cb 0.16 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ugo h ARG 84 CO 0.00 0.91 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.48 1ugo h LEU 85 N -0.29 0.63 -1.14 3.04 3.38 -0.23 -2.97 115.31 117.74 1ugo h LEU 85 Ca -0.03 -0.49 0.44 0.00 0.09 0.00 0.00 57.88 57.90 1ugo h LEU 85 Cb 0.98 -0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.39 1ugo h LEU 85 CO 0.06 0.99 0.67 -0.07 0.09 0.00 0.00 178.44 180.19 1ugo h LEU 86 N 0.29 0.28 0.14 1.67 3.38 -1.31 0.19 115.31 119.94 1ugo h LEU 86 Ca 0.03 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1ugo h LEU 86 Cb 0.83 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ugo h LEU 86 CO 0.06 -0.37 -0.07 0.11 0.09 0.00 0.00 178.44 178.27 1ugo h LYS 87 N 0.00 -0.18 -0.97 1.13 6.56 -1.55 -2.92 116.57 118.64 1ugo h LYS 87 Ca 0.86 0.01 0.37 0.00 -1.06 0.00 0.00 60.65 60.84 1ugo h LYS 87 Cb 2.47 0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 33.99 1ugo h LYS 87 CO -0.66 -0.12 0.39 0.39 -2.06 0.00 0.00 179.45 177.39 1ugo n GLU 88 N -2.54 -0.06 -0.20 3.15 -0.58 0.47 0.20 120.64 121.08 1ugo n GLU 88 Ca -0.02 1.37 0.01 0.00 -0.42 0.00 0.00 57.16 58.10 1ugo n GLU 88 Cb 0.07 -2.39 0.10 0.00 -0.57 0.00 0.00 31.44 28.66 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 -0.24 0.21 -4.62 5.85 -0.85 0.91 115.31 116.57 1ugo h LEU 89 Ca 0.76 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.62 1ugo h LEU 89 Cb 1.93 0.25 0.00 0.00 0.37 0.00 0.00 40.66 43.21 1ugo h LEU 89 CO -0.79 -0.10 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.03 1ugo h GLU 90 N 0.13 -0.27 -0.41 1.25 4.81 0.24 -1.02 114.58 119.30 1ugo h GLU 90 Ca 0.32 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 1ugo h GLU 90 Cb 0.52 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.87 1ugo h GLU 90 CO -0.51 0.12 -0.41 0.37 -0.73 0.00 0.00 179.01 177.85 1ugo h GLN 91 N -0.85 -0.30 -0.94 1.92 4.15 -0.50 0.19 115.11 118.78 1ugo h GLN 91 Ca -0.03 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1ugo h GLN 91 Cb 0.51 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 1ugo h GLN 91 CO 0.05 -0.20 0.62 -0.91 -1.93 0.00 0.00 178.83 176.46 1ugo h ASN 92 N -0.31 1.03 0.00 -0.69 2.35 0.75 -3.16 115.58 115.55 1ugo h ASN 92 Ca 0.15 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1ugo h ASN 92 Cb 0.58 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1ugo h ASN 92 CO -0.57 0.71 0.00 0.00 -1.65 0.00 0.00 177.43 175.91 1ugo n ALA 93 N -2.36 -0.00 0.00 -0.83 0.00 0.64 -4.41 120.51 113.56 1ugo n ALA 93 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ugo n ALA 93 Cb 0.09 0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1ugo n ALA 93 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ugo n SER 94 N -1.64 0.00 -1.43 0.00 3.41 -0.99 -3.22 113.62 109.76 1ugo n SER 94 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1ugo n SER 94 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1ugo n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ugo n GLY 95 N -0.61 -3.22 0.10 5.00 0.00 -1.25 -4.74 105.19 100.48 1ugo n GLY 95 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1ugo n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugo h PRO 96 N -0.99 0.21 -2.15 1.61 0.13 -1.98 -3.46 132.00 125.36 1ugo h PRO 96 Ca -0.14 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1ugo h PRO 96 Cb 1.17 0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 1ugo h PRO 96 CO 0.05 0.91 -0.03 -1.54 -0.23 0.00 0.00 178.00 177.16 1ugo s SER 97 N -6.32 -0.81 0.35 1.44 1.04 -1.26 -5.17 113.70 102.96 1ugo s SER 97 Ca -0.15 1.36 0.05 0.00 0.48 0.00 0.00 55.95 57.69 1ugo s SER 97 Cb 0.02 1.27 -0.01 0.00 0.10 0.00 0.00 66.02 67.39 1ugo s SER 97 CO 0.75 -0.23 0.50 -0.94 0.98 0.00 0.00 173.24 174.30 1ugo s SER 98 N 1.29 5.98 0.00 7.02 1.04 -1.26 -5.21 113.70 122.57 1ugo s SER 98 Ca -0.08 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ugo s SER 98 Cb -0.05 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.71 1ugo s SER 98 CO -0.14 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.25