#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 -0.16 -0.22 1.61 1.04 -1.26 -5.17 113.70 109.54 1ugo s SER 2 Ca 0.00 0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 1ugo s SER 2 Cb 0.00 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.41 1ugo s SER 2 CO 0.00 -0.09 0.56 -0.55 0.98 0.00 0.00 173.24 174.14 1ugo s SER 3 N -0.45 -0.68 0.00 7.02 0.15 -1.26 -5.14 113.70 113.34 1ugo s SER 3 Ca 0.06 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1ugo s SER 3 Cb -0.03 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1ugo s SER 3 CO -0.09 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1ugo n GLY 4 N 3.71 1.54 2.46 9.45 0.00 -1.26 -5.10 105.19 115.99 1ugo n GLY 4 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.99 -3.24 1.61 7.64 -1.26 -5.05 113.62 107.33 1ugo n SER 5 Ca 0.00 1.69 -0.03 0.00 1.01 0.00 0.00 58.87 61.53 1ugo n SER 5 Cb 0.00 -5.28 -0.03 0.00 -1.01 0.00 0.00 64.21 57.90 1ugo n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ugo s SER 6 N -0.63 -0.83 0.00 6.43 0.01 -1.26 -5.14 113.70 112.28 1ugo s SER 6 Ca -0.12 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1ugo s SER 6 Cb 0.01 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.85 1ugo s SER 6 CO 0.31 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1ugo n GLY 7 N 4.55 2.33 3.56 3.44 0.00 -1.26 -5.18 105.19 112.63 1ugo n GLY 7 Ca 0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1ugo n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ugo s MET 8 N -2.00 1.44 -0.08 1.61 0.23 -1.26 -5.12 119.30 114.12 1ugo s MET 8 Ca 0.00 -0.64 -0.29 0.00 -1.03 0.00 0.00 55.69 53.72 1ugo s MET 8 Cb 0.00 0.59 -0.06 0.00 -1.53 0.00 0.00 34.83 33.83 1ugo s MET 8 CO 0.00 -0.64 1.89 -0.51 -2.03 0.00 0.00 175.02 173.73 1ugo s ASP 9 N -2.81 6.27 -0.31 -1.18 1.01 -1.26 -4.95 116.67 113.45 1ugo s ASP 9 Ca 0.04 2.22 0.01 0.00 0.71 0.00 0.00 52.55 55.53 1ugo s ASP 9 Cb -0.03 -2.53 0.09 0.00 1.01 0.00 0.00 42.92 41.47 1ugo s ASP 9 CO -0.07 -1.26 0.07 -0.32 0.21 0.00 0.00 175.17 173.80 1ugo s MET 10 N 4.82 1.03 0.00 8.23 1.75 -1.26 -5.05 119.30 128.83 1ugo s MET 10 Ca 0.85 -1.28 0.00 0.00 -1.25 0.00 0.00 55.69 54.00 1ugo s MET 10 Cb -0.35 -2.42 0.00 0.00 2.84 0.00 0.00 34.83 34.90 1ugo s MET 10 CO 0.36 -0.92 0.07 0.41 -0.65 0.00 0.00 175.02 174.29 1ugo n GLY 11 N 4.66 -0.54 3.69 2.11 0.00 -1.26 -4.75 105.19 109.11 1ugo n GLY 11 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ugo n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ugo s ASN 12 N -1.53 7.12 -1.05 1.61 2.47 -1.26 -4.93 114.94 117.36 1ugo s ASN 12 Ca 0.00 1.80 -0.23 0.00 0.42 0.00 0.00 52.86 54.85 1ugo s ASN 12 Cb 0.00 -2.56 -0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1ugo s ASN 12 CO 0.00 -0.51 1.74 -1.58 -3.72 0.00 0.00 177.10 173.03 1ugo s GLN 13 N 1.83 3.13 0.28 0.43 0.74 -1.26 -4.94 119.66 119.87 1ugo s GLN 13 Ca 0.55 -0.98 -0.26 0.00 0.05 0.00 0.00 55.36 54.73 1ugo s GLN 13 Cb -0.24 -5.27 -0.16 0.00 1.10 0.00 0.00 33.01 28.44 1ugo s GLN 13 CO 0.23 -2.89 0.42 1.58 -0.55 0.00 0.00 175.29 174.09 1ugo n HIS 14 N 11.39 -0.86 1.12 1.67 -0.00 -1.26 -4.77 115.22 122.51 1ugo n HIS 14 Ca 0.40 0.83 0.11 0.00 -0.00 0.00 0.00 57.72 59.06 1ugo n HIS 14 Cb 0.48 -1.93 0.59 0.00 -0.00 0.00 0.00 29.99 29.13 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 1.06 0.37 -0.06 1.57 -0.04 -1.26 -2.37 135.00 134.26 1ugo n PRO 15 Ca 0.15 0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1ugo n PRO 15 Cb 0.31 -1.50 -0.15 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 -1.25 0.34 -0.04 3.54 7.64 -1.26 -3.87 113.62 118.72 1ugo n SER 16 Ca 0.12 0.16 -0.14 0.00 1.01 0.00 0.00 58.87 60.01 1ugo n SER 16 Cb 0.17 0.64 -0.12 0.00 -1.01 0.00 0.00 64.21 63.89 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 1.60 0.00 0.44 1.08 -1.83 -2.48 117.51 116.33 1ugo h ILE 17 Ca -0.41 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 1ugo h ILE 17 Cb 2.08 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 38.71 1ugo h ILE 17 CO 0.05 0.52 0.08 -1.28 -0.69 0.00 0.00 178.15 176.83 1ugo h SER 18 N -0.67 0.00 0.00 1.72 0.87 -1.67 -0.29 113.55 113.51 1ugo h SER 18 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ugo h SER 18 Cb 0.93 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1ugo h SER 18 CO 0.03 0.00 -0.11 -0.09 -0.53 0.00 0.00 176.83 176.12 1ugo h ARG 19 N 0.00 0.00 -0.81 2.24 9.65 -1.65 -3.22 114.38 120.60 1ugo h ARG 19 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 1ugo h ARG 19 Cb 0.16 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 1ugo h ARG 19 CO 0.00 0.16 0.54 -0.07 2.80 0.00 0.00 179.97 183.41 1ugo h LEU 20 N -1.00 0.32 -1.76 3.80 3.38 -0.95 0.79 115.31 119.89 1ugo h LEU 20 Ca -0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ugo h LEU 20 Cb 0.25 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ugo h LEU 20 CO -0.01 0.15 -0.15 1.56 0.09 0.00 0.00 178.44 180.08 1ugo h GLN 21 N 0.33 0.00 0.00 1.13 4.20 -1.18 1.65 115.11 121.24 1ugo h GLN 21 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1ugo h GLN 21 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1ugo h GLN 21 CO -0.12 0.15 -0.61 0.39 -0.67 0.00 0.00 178.83 177.97 1ugo n GLU 22 N -4.18 0.17 -0.11 1.46 1.02 0.26 -3.09 120.64 116.17 1ugo n GLU 22 Ca -0.02 0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 1ugo n GLU 22 Cb 0.23 -1.60 -0.12 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.83 1.54 -0.10 -3.67 5.41 -0.22 -4.00 119.36 116.49 1ugo n ILE 23 Ca 0.04 -0.57 -0.10 0.00 1.00 0.00 0.00 62.75 63.12 1ugo n ILE 23 Cb 0.39 -1.50 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 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 -0.04 0.45 0.00 0.38 4.20 0.22 -1.15 115.11 119.16 1ugo h GLN 24 Ca -0.56 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.08 1ugo h GLN 24 Cb 1.90 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.61 1ugo h GLN 24 CO -0.08 0.44 -0.00 0.07 -0.67 0.00 0.00 178.83 178.59 1ugo h ARG 25 N 0.36 0.00 0.08 1.46 0.11 -1.73 0.21 114.38 114.87 1ugo h ARG 25 Ca 0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.18 1ugo h ARG 25 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1ugo h ARG 25 CO -0.01 0.00 -0.04 0.93 0.10 0.00 0.00 179.97 180.95 1ugo h GLU 26 N 0.00 -0.11 -0.44 0.08 4.39 -1.44 0.84 114.58 117.90 1ugo h GLU 26 Ca -0.00 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.84 1ugo h GLU 26 Cb 0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1ugo h GLU 26 CO 0.00 -0.07 0.36 -0.39 -1.16 0.00 0.00 179.01 177.75 1ugo h VAL 27 N -0.60 0.62 0.15 3.13 -1.51 -1.09 0.29 116.25 117.25 1ugo h VAL 27 Ca -0.01 0.00 -0.31 0.00 -1.23 0.00 0.00 66.70 65.15 1ugo h VAL 27 Cb 0.08 0.74 0.03 0.00 -2.13 0.00 0.00 31.29 30.01 1ugo h VAL 27 CO 0.02 0.00 -1.31 0.50 -1.23 0.00 0.00 177.57 175.55 1ugo h LYS 28 N 0.00 0.62 0.00 5.19 3.64 -0.65 -0.72 116.57 124.64 1ugo h LYS 28 Ca 0.21 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1ugo h LYS 28 Cb 0.93 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ugo h LYS 28 CO -0.00 1.40 0.00 0.00 -2.27 0.00 0.00 179.45 178.58 1ugo n ALA 29 N -2.69 1.62 -0.01 5.00 0.00 0.80 -1.19 120.51 124.05 1ugo n ALA 29 Ca -0.15 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1ugo n ALA 29 Cb 1.02 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.59 0.79 -0.08 0.00 -6.64 0.11 -4.63 119.36 107.32 1ugo n ILE 30 Ca 0.03 -0.89 -0.13 0.00 -1.77 0.00 0.00 62.75 59.98 1ugo n ILE 30 Cb 0.17 0.62 -0.05 0.00 -1.44 0.00 0.00 39.64 38.94 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 0.46 0.67 0.00 6.28 4.81 0.37 -2.65 114.58 124.52 1ugo h GLU 31 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1ugo h GLU 31 Cb 0.46 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1ugo h GLU 31 CO 0.00 0.98 0.00 -0.35 -0.73 0.00 0.00 179.01 178.91 1ugo n PRO 32 N -4.28 0.75 -0.08 0.92 -0.04 -1.26 -2.44 135.00 128.57 1ugo n PRO 32 Ca -0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1ugo n PRO 32 Cb 0.48 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.67 0.54 4.20 -1.77 -2.99 115.11 114.42 1ugo h GLN 33 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1ugo h GLN 33 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1ugo h GLN 33 CO 0.00 0.44 0.15 -0.24 -0.67 0.00 0.00 178.83 178.52 1ugo h VAL 34 N -1.00 1.26 -0.77 -0.54 3.04 -1.53 0.94 116.25 117.65 1ugo h VAL 34 Ca -0.13 -0.95 -0.05 0.00 -1.01 0.00 0.00 66.70 64.55 1ugo h VAL 34 Cb 0.80 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 1ugo h VAL 34 CO -0.08 0.36 0.28 0.58 -1.01 0.00 0.00 177.57 177.70 1ugo h VAL 35 N 1.01 1.26 -0.64 1.51 2.07 -1.67 -2.47 116.25 117.33 1ugo h VAL 35 Ca 0.21 -0.86 -0.30 0.00 0.82 0.00 0.00 66.70 66.57 1ugo h VAL 35 Cb 0.36 0.38 -0.18 0.00 -1.52 0.00 0.00 31.29 30.33 1ugo h VAL 35 CO 0.00 0.35 0.24 0.61 0.02 0.00 0.00 177.57 178.79 1ugo n GLY 36 N -0.83 4.56 3.82 2.17 0.00 -0.89 -5.00 105.19 109.02 1ugo n GLY 36 Ca 0.07 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.22 3.55 -0.16 1.61 5.36 0.32 -4.91 117.98 120.53 1ugo s PHE 37 Ca 0.50 1.42 -0.04 0.00 -0.96 0.00 0.00 56.93 57.86 1ugo s PHE 37 Cb 0.43 -2.66 0.07 0.00 -0.34 0.00 0.00 43.02 40.52 1ugo s PHE 37 CO 0.06 0.21 0.18 0.45 -1.46 0.00 0.00 175.22 174.66 1ugo s SER 38 N -1.86 1.39 0.00 6.13 0.15 -1.26 -4.65 113.70 113.60 1ugo s SER 38 Ca 0.49 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1ugo s SER 38 Cb -0.14 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1ugo s SER 38 CO 0.20 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ugo n GLY 39 N 5.31 -0.45 1.57 9.45 0.00 -1.08 -4.77 105.19 115.22 1ugo n GLY 39 Ca -0.06 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.43 0.99 4.77 -1.24 -3.81 117.00 117.27 1ugo n LEU 40 Ca 0.00 -1.49 0.07 0.00 -0.03 0.00 0.00 56.01 54.56 1ugo n LEU 40 Cb 0.00 0.58 0.27 0.00 -2.33 0.00 0.00 43.42 41.94 1ugo n LEU 40 CO 0.00 -0.24 0.69 -1.54 -1.33 0.00 0.00 177.39 174.98 1ugo n SER 41 N -1.98 1.28 -2.69 -1.43 3.41 -1.26 -4.29 113.62 106.66 1ugo n SER 41 Ca -0.01 -1.82 -0.06 0.00 -0.26 0.00 0.00 58.87 56.73 1ugo n SER 41 Cb 0.29 -0.12 0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1ugo n SER 41 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ugo n ASP 42 N 0.13 -1.87 0.00 4.04 -0.08 -1.26 -4.84 116.55 112.67 1ugo n ASP 42 Ca 0.12 -2.28 0.00 0.00 -1.51 0.00 0.00 54.79 51.12 1ugo n ASP 42 Cb 0.23 1.10 0.00 0.00 2.34 0.00 0.00 41.12 44.79 1ugo n ASP 42 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ugo n ASP 43 N 1.62 0.00 0.00 1.67 8.00 -1.26 -4.99 116.55 121.58 1ugo n ASP 43 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1ugo n ASP 43 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1ugo n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ugo n LYS 44 N -1.02 0.00 -2.40 -1.24 4.76 -1.26 -1.87 118.16 115.13 1ugo n LYS 44 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1ugo n LYS 44 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1ugo n ASN 45 N 2.01 -1.08 -0.11 4.39 2.85 -1.26 -5.01 115.26 117.05 1ugo n ASN 45 Ca 0.00 -1.74 -0.24 0.00 -0.11 0.00 0.00 54.58 52.49 1ugo n ASN 45 Cb 0.00 0.73 -0.11 0.00 1.24 0.00 0.00 39.78 41.63 1ugo n ASN 45 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ugo n TYR 46 N -0.58 0.29 -0.09 1.20 4.19 -0.78 -3.83 117.16 117.56 1ugo n TYR 46 Ca -0.15 0.09 -0.07 0.00 3.31 0.00 0.00 57.90 61.08 1ugo n TYR 46 Cb 0.69 -1.03 -0.01 0.00 0.49 0.00 0.00 39.34 39.48 1ugo n TYR 46 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1ugo h LYS 47 N -0.53 -0.20 0.12 2.98 1.79 -1.88 0.69 116.57 119.53 1ugo h LYS 47 Ca -0.58 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1ugo h LYS 47 Cb 1.72 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.41 1ugo h LYS 47 CO -0.22 -0.13 -0.10 -0.09 -1.08 0.00 0.00 179.45 177.82 1ugo h ARG 48 N -0.21 -0.21 -0.82 3.15 9.65 -1.97 1.23 114.38 125.21 1ugo h ARG 48 Ca 0.17 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.19 1ugo h ARG 48 Cb 0.48 0.05 -0.14 0.00 -1.39 0.00 0.00 29.97 28.97 1ugo h ARG 48 CO -0.46 -0.14 -0.39 -0.07 2.80 0.00 0.00 179.97 181.71 1ugo h LEU 49 N -0.21 -1.41 -0.07 3.80 3.38 -1.60 0.55 115.31 119.74 1ugo h LEU 49 Ca -0.02 0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1ugo h LEU 49 Cb 0.18 0.71 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1ugo h LEU 49 CO -0.00 -0.30 -0.13 -0.08 0.09 0.00 0.00 178.44 178.02 1ugo h GLU 50 N -0.08 -0.18 -1.00 1.13 4.81 0.58 -0.31 114.58 119.53 1ugo h GLU 50 Ca 0.28 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.70 1ugo h GLU 50 Cb 0.57 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.89 1ugo h GLU 50 CO -0.85 -0.12 0.62 0.00 -0.73 0.00 0.00 179.01 177.92 1ugo h ARG 51 N -0.19 0.77 0.31 1.92 2.47 0.51 1.47 114.38 121.64 1ugo h ARG 51 Ca 0.07 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1ugo h ARG 51 Cb 0.28 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1ugo h ARG 51 CO -0.18 0.51 -0.15 0.82 0.56 0.00 0.00 179.97 181.53 1ugo h ILE 52 N 0.80 0.72 0.18 2.04 2.04 0.11 1.42 117.51 124.81 1ugo h ILE 52 Ca 0.56 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 1ugo h ILE 52 Cb 0.83 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1ugo h ILE 52 CO -0.34 0.06 -0.09 -0.07 0.00 0.00 0.00 178.15 177.71 1ugo h LEU 53 N -0.57 -0.20 -0.39 1.44 3.38 0.30 0.88 115.31 120.14 1ugo h LEU 53 Ca -0.04 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1ugo h LEU 53 Cb 0.42 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1ugo h LEU 53 CO 0.07 -0.07 0.21 0.00 0.09 0.00 0.00 178.44 178.73 1ugo h THR 54 N -0.32 0.99 -0.33 0.22 1.03 0.20 0.86 112.91 115.57 1ugo h THR 54 Ca -0.02 -0.14 -0.02 0.00 -0.01 0.00 0.00 66.41 66.21 1ugo h THR 54 Cb 0.25 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 1ugo h THR 54 CO 0.04 0.08 0.14 0.50 -0.01 0.00 0.00 175.52 176.26 1ugo h LYS 55 N 0.42 0.49 0.15 0.00 3.11 0.21 -0.32 116.57 120.63 1ugo h LYS 55 Ca 0.16 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 1ugo h LYS 55 Cb 0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1ugo h LYS 55 CO -0.11 0.48 -0.07 1.96 -2.81 0.00 0.00 179.45 178.91 1ugo h GLN 56 N 0.38 -0.19 -0.24 1.90 1.08 0.13 -2.37 115.11 115.81 1ugo h GLN 56 Ca 0.11 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.38 1ugo h GLN 56 Cb 0.17 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.58 1ugo h GLN 56 CO -0.01 -0.07 -0.23 1.25 -0.95 0.00 0.00 178.83 178.82 1ugo h LEU 57 N -0.26 -0.73 -1.91 1.46 7.12 0.87 0.42 115.31 122.27 1ugo h LEU 57 Ca -0.02 0.13 0.16 0.00 0.13 0.00 0.00 57.88 58.28 1ugo h LEU 57 Cb 0.20 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 1ugo h LEU 57 CO 0.03 -0.27 0.53 0.15 -0.13 0.00 0.00 178.44 178.76 1ugo h PHE 58 N -0.23 0.00 0.04 1.25 3.04 -0.87 0.70 116.94 120.87 1ugo h PHE 58 Ca 0.14 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.85 1ugo h PHE 58 Cb 0.44 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 1ugo h PHE 58 CO -0.38 0.00 -1.15 0.93 -2.02 0.00 0.00 178.31 175.68 1ugo h GLU 59 N 0.00 0.09 -0.51 1.11 4.39 0.28 -3.15 114.58 116.80 1ugo h GLU 59 Ca 0.26 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1ugo h GLU 59 Cb 1.32 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.00 1ugo h GLU 59 CO -0.00 1.02 0.27 0.82 -1.16 0.00 0.00 179.01 179.96 1ugo h ILE 60 N 0.02 1.18 0.00 3.13 2.04 0.20 -0.64 117.51 123.45 1ugo h ILE 60 Ca -0.08 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1ugo h ILE 60 Cb 1.86 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1ugo h ILE 60 CO 0.15 0.19 -0.14 -0.78 0.00 0.00 0.00 178.15 177.57 1ugo h ASP 61 N 0.67 0.00 0.09 1.72 1.82 -1.48 -1.75 116.42 117.50 1ugo h ASP 61 Ca 0.18 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.64 1ugo h ASP 61 Cb 0.07 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 1ugo h ASP 61 CO -0.03 0.14 -0.65 -1.28 -1.61 0.00 0.00 179.24 175.82 1ugo h SER 62 N 0.00 0.60 -2.18 2.28 0.87 -1.11 -3.43 113.55 110.58 1ugo h SER 62 Ca -0.00 -0.36 -0.56 0.00 -1.23 0.00 0.00 61.79 59.64 1ugo h SER 62 Cb 0.36 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1ugo h SER 62 CO 0.02 1.09 1.28 0.52 -0.53 0.00 0.00 176.83 179.22 1ugo n VAL 63 N -3.91 0.63 -2.74 2.23 0.31 -0.54 -4.94 118.33 109.38 1ugo n VAL 63 Ca -0.04 -0.21 -0.34 0.00 -0.01 0.00 0.00 64.34 63.73 1ugo n VAL 63 Cb 0.66 -2.30 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 1ugo n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ugo s ASP 64 N 5.42 6.89 -0.18 4.52 2.15 -1.26 -4.99 116.67 129.22 1ugo s ASP 64 Ca 0.93 1.79 -0.08 0.00 0.43 0.00 0.00 52.55 55.62 1ugo s ASP 64 Cb -0.46 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 39.52 1ugo s ASP 64 CO 0.42 -0.39 -0.23 0.35 -0.17 0.00 0.00 175.17 175.15 1ugo n THR 65 N -0.43 0.99 -2.01 1.71 -2.24 -1.26 -4.86 114.28 106.19 1ugo n THR 65 Ca 0.06 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1ugo n THR 65 Cb 0.53 -1.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.06 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 -3.72 -0.97 -2.70 -0.78 1.02 -1.26 -3.20 120.64 109.03 1ugo n GLU 66 Ca -0.35 0.69 -0.10 0.00 -0.02 0.00 0.00 57.16 57.38 1ugo n GLU 66 Cb 0.76 -4.85 0.05 0.00 -0.02 0.00 0.00 31.44 27.38 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 -1.12 -0.30 2.70 0.62 0.00 -1.26 -5.02 105.19 100.81 1ugo n GLY 67 Ca -0.14 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.18 1.00 0.16 1.61 1.02 -1.19 -5.01 119.74 113.15 1ugo s LYS 68 Ca 0.20 -1.59 -0.23 0.00 0.02 0.00 0.00 55.97 54.37 1ugo s LYS 68 Cb -0.03 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1ugo s LYS 68 CO 0.47 -1.10 1.37 0.41 -0.92 0.00 0.00 175.35 175.58 1ugo n GLY 69 N 4.09 -2.14 0.27 -3.33 0.00 -1.26 0.19 105.19 103.01 1ugo n GLY 69 Ca 0.05 1.04 0.25 0.00 0.00 0.00 0.00 46.02 47.35 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 -5.18 0.24 -0.07 1.61 8.00 -1.26 0.18 116.55 120.07 1ugo n ASP 70 Ca 0.04 1.40 -0.04 0.00 0.71 0.00 0.00 54.79 56.90 1ugo n ASP 70 Cb 0.28 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.70 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 0.01 -0.95 0.53 2.04 0.17 -3.25 117.51 116.05 1ugo h ILE 71 Ca 0.69 -1.01 0.40 0.00 1.00 0.00 0.00 64.86 65.93 1ugo h ILE 71 Cb 1.77 0.01 -0.17 0.00 -0.74 0.00 0.00 36.82 37.70 1ugo h ILE 71 CO -0.67 0.00 0.50 1.67 0.00 0.00 0.00 178.15 179.66 1ugo n GLN 72 N -4.63 -0.06 0.28 2.37 7.27 0.31 0.63 117.38 123.55 1ugo n GLN 72 Ca -0.07 1.31 -0.15 0.00 0.07 0.00 0.00 57.00 58.16 1ugo n GLN 72 Cb 0.25 -2.35 -0.08 0.00 2.41 0.00 0.00 30.24 30.47 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 -0.69 -0.08 3.69 4.20 0.18 0.10 115.11 122.51 1ugo h GLN 73 Ca 0.80 0.05 0.03 0.00 0.06 0.00 0.00 58.65 59.59 1ugo h GLN 73 Cb 2.11 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 30.01 1ugo h GLN 73 CO -0.73 -0.38 -0.16 0.00 -0.67 0.00 0.00 178.83 176.88 1ugo h ALA 74 N -0.67 -0.13 0.02 3.87 0.00 0.16 1.06 119.26 123.57 1ugo h ALA 74 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ugo h ALA 74 Cb 0.62 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ugo h ALA 74 CO 0.12 -0.63 -0.03 -0.09 0.00 0.00 0.00 179.25 178.61 1ugo h ARG 75 N -0.23 -0.06 -0.91 0.00 2.43 0.15 0.76 114.38 116.53 1ugo h ARG 75 Ca 0.08 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.50 1ugo h ARG 75 Cb 0.34 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1ugo h ARG 75 CO -0.21 -0.04 0.64 1.57 -1.51 0.00 0.00 179.97 180.42 1ugo h LYS 76 N -0.06 0.13 -0.28 0.20 5.09 -0.71 1.09 116.57 122.04 1ugo h LYS 76 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 60.65 60.62 1ugo h LYS 76 Cb 0.05 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.34 1ugo h LYS 76 CO -0.01 0.09 -0.30 0.00 -2.09 0.00 0.00 179.45 177.14 1ugo h ARG 77 N 0.14 0.57 0.22 0.07 2.47 0.24 -2.30 114.38 115.78 1ugo h ARG 77 Ca 0.45 -0.24 -0.34 0.00 -1.26 0.00 0.00 59.98 58.59 1ugo h ARG 77 Cb 1.56 -0.02 0.03 0.00 -1.65 0.00 0.00 29.97 29.89 1ugo h ARG 77 CO -0.07 0.80 -1.57 0.00 0.56 0.00 0.00 179.97 179.69 1ugo h ALA 78 N 1.19 -0.02 -0.34 0.04 0.00 0.73 -1.70 119.26 119.16 1ugo h ALA 78 Ca 0.06 -0.97 0.10 0.00 0.00 0.00 0.00 54.91 54.10 1ugo h ALA 78 Cb 0.76 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ugo h ALA 78 CO 0.06 0.84 0.29 0.00 0.00 0.00 0.00 179.25 180.45 1ugo h ALA 79 N 0.17 2.14 0.04 0.00 0.00 0.86 0.23 119.26 122.71 1ugo h ALA 79 Ca -0.28 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.34 1ugo h ALA 79 Cb 2.14 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 1ugo h ALA 79 CO 0.24 -0.47 -1.46 1.96 0.00 0.00 0.00 179.25 179.51 1ugo h GLN 80 N 0.00 0.09 0.40 0.00 4.20 -1.43 -3.22 115.11 115.15 1ugo h GLN 80 Ca 0.16 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ugo h GLN 80 Cb 0.75 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 1ugo h GLN 80 CO -0.00 1.08 -0.40 0.93 -0.67 0.00 0.00 178.83 179.77 1ugo h GLU 81 N -0.65 -0.77 -0.96 1.46 3.07 -0.42 1.38 114.58 117.69 1ugo h GLU 81 Ca -0.36 0.05 0.18 0.00 -0.50 0.00 0.00 59.36 58.73 1ugo h GLU 81 Cb 1.54 0.17 -0.10 0.00 -0.84 0.00 0.00 28.75 29.52 1ugo h GLU 81 CO -0.11 -0.51 0.55 1.15 -1.40 0.00 0.00 179.01 178.70 1ugo h THR 82 N -0.80 0.70 0.00 1.13 2.02 -0.79 0.82 112.91 115.99 1ugo h THR 82 Ca -0.05 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1ugo h THR 82 Cb 0.69 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1ugo h THR 82 CO -0.05 0.13 -0.13 -0.33 0.37 0.00 0.00 175.52 175.51 1ugo h GLU 83 N 0.71 0.00 -0.09 6.66 4.39 -1.41 -2.18 114.58 122.65 1ugo h GLU 83 Ca 0.55 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.19 1ugo h GLU 83 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ugo h GLU 83 CO -0.39 0.13 -0.18 -0.09 -1.16 0.00 0.00 179.01 177.32 1ugo h ARG 84 N 0.00 0.29 0.03 2.33 9.65 0.88 -2.90 114.38 124.65 1ugo h ARG 84 Ca -0.00 -0.19 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1ugo h ARG 84 Cb 0.78 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1ugo h ARG 84 CO 0.02 0.78 -0.02 -0.07 2.80 0.00 0.00 179.97 183.48 1ugo h LEU 85 N -0.17 -0.04 -1.16 3.80 3.38 -1.12 -2.75 115.31 117.26 1ugo h LEU 85 Ca 0.00 -0.32 0.36 0.00 0.09 0.00 0.00 57.88 58.02 1ugo h LEU 85 Cb 0.77 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 1ugo h LEU 85 CO 0.04 0.30 0.66 0.25 0.09 0.00 0.00 178.44 179.78 1ugo h LEU 86 N -0.38 0.41 -0.36 1.67 6.46 -1.46 1.42 115.31 123.07 1ugo h LEU 86 Ca -0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1ugo h LEU 86 Cb 0.35 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1ugo h LEU 86 CO 0.01 -0.16 0.24 0.11 -0.62 0.00 0.00 178.44 178.01 1ugo h LYS 87 N 0.22 0.47 -0.69 1.25 1.79 -1.27 -2.34 116.57 116.00 1ugo h LYS 87 Ca 0.76 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 59.15 1ugo h LYS 87 Cb 1.99 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 32.51 1ugo h LYS 87 CO -0.54 0.32 0.24 0.93 -1.08 0.00 0.00 179.45 179.32 1ugo h GLU 88 N 0.48 1.05 -1.14 3.15 4.39 0.19 -2.25 114.58 120.45 1ugo h GLU 88 Ca 0.13 -0.21 0.34 0.00 0.34 0.00 0.00 59.36 59.96 1ugo h GLU 88 Cb -0.05 -0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 28.32 1ugo h GLU 88 CO -0.03 0.90 0.72 1.25 -1.16 0.00 0.00 179.01 180.69 1ugo h LEU 89 N 0.99 0.38 -0.09 1.33 5.85 -0.25 1.45 115.31 124.98 1ugo h LEU 89 Ca 0.22 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 1ugo h LEU 89 Cb 0.27 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1ugo h LEU 89 CO -0.01 -0.06 -0.05 -0.08 -0.34 0.00 0.00 178.44 177.89 1ugo h GLU 90 N 0.26 0.19 0.37 1.25 4.22 -1.25 -1.84 114.58 117.78 1ugo h GLU 90 Ca 0.71 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 60.05 1ugo h GLU 90 Cb 1.97 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1ugo h GLU 90 CO -0.40 0.57 -0.18 1.96 -2.18 0.00 0.00 179.01 178.78 1ugo h GLN 91 N -0.20 -0.48 -1.02 1.92 1.08 0.27 -3.17 115.11 113.50 1ugo h GLN 91 Ca 0.02 0.03 0.38 0.00 -1.45 0.00 0.00 58.65 57.63 1ugo h GLN 91 Cb 0.52 0.11 -0.16 0.00 -0.05 0.00 0.00 27.48 27.89 1ugo h GLN 91 CO 0.01 -0.32 0.57 -0.91 -0.95 0.00 0.00 178.83 177.23 1ugo h ASN 92 N -0.84 0.40 0.00 1.46 2.35 0.15 -1.55 115.58 117.55 1ugo h ASN 92 Ca -0.05 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1ugo h ASN 92 Cb 0.38 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1ugo h ASN 92 CO 0.08 -0.30 0.00 0.00 -1.65 0.00 0.00 177.43 175.56 1ugo n ALA 93 N -2.29 -0.00 0.00 -0.83 0.00 -0.69 -4.48 120.51 112.22 1ugo n ALA 93 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1ugo n ALA 93 Cb 1.17 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.96 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 -1.73 0.00 -3.66 0.00 2.88 -0.58 -2.64 113.62 107.89 1ugo n SER 94 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1ugo n SER 94 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.30 -0.86 0.46 0.00 -1.26 -5.01 107.32 100.35 1ugo s GLY 95 Ca 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.13 1ugo s GLY 95 CO 0.00 0.21 2.60 -1.55 0.00 0.00 0.00 173.10 174.35 1ugo n PRO 96 N 0.70 2.41 -1.78 2.90 -0.04 -1.26 -4.31 135.00 133.61 1ugo n PRO 96 Ca -0.19 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1ugo n PRO 96 Cb 0.59 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1ugo n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugo n SER 97 N 3.54 -7.33 -4.80 3.54 2.88 -1.26 -5.04 113.62 105.15 1ugo n SER 97 Ca 0.51 1.14 -0.22 0.00 -1.33 0.00 0.00 58.87 58.98 1ugo n SER 97 Cb 0.33 -4.06 -0.05 0.00 -0.75 0.00 0.00 64.21 59.68 1ugo n SER 97 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ugo s SER 98 N -0.40 5.31 0.00 -3.46 1.04 -1.26 -5.17 113.70 109.75 1ugo s SER 98 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1ugo s SER 98 Cb 0.00 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.88 1ugo s SER 98 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75