#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 -7.99 -1.04 1.61 7.64 -1.26 -5.02 113.62 107.56 1ugo n SER 2 Ca 0.00 1.02 0.13 0.00 1.01 0.00 0.00 58.87 61.03 1ugo n SER 2 Cb 0.00 -4.40 -0.07 0.00 -1.01 0.00 0.00 64.21 58.73 1ugo n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ugo n SER 3 N -4.19 -5.66 -1.31 6.43 7.64 -1.26 -5.07 113.62 110.20 1ugo n SER 3 Ca -0.04 1.06 -0.03 0.00 1.01 0.00 0.00 58.87 60.87 1ugo n SER 3 Cb 0.63 -3.59 -0.01 0.00 -1.01 0.00 0.00 64.21 60.23 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugo n GLY 4 N -3.69 3.41 0.00 0.23 0.00 -1.26 -5.19 105.19 98.69 1ugo n GLY 4 Ca -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.42 0.00 -3.88 1.61 7.64 -1.26 -5.18 113.62 110.13 1ugo n SER 5 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1ugo n SER 5 Cb 0.09 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.20 1ugo n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ugo s SER 6 N 0.00 0.07 0.00 6.43 1.04 -1.26 -5.14 113.70 114.85 1ugo s SER 6 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1ugo s SER 6 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1ugo s SER 6 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1ugo n GLY 7 N 0.90 2.32 3.16 7.32 0.00 -1.26 -5.15 105.19 112.47 1ugo n GLY 7 Ca -0.20 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1ugo n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ugo s MET 8 N 3.85 2.62 -0.23 1.61 0.00 -1.26 -5.11 119.30 120.78 1ugo s MET 8 Ca 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 55.69 54.74 1ugo s MET 8 Cb 0.00 -2.02 0.06 0.00 0.00 0.00 0.00 34.83 32.87 1ugo s MET 8 CO 0.00 0.14 0.61 0.34 0.00 0.00 0.00 175.02 176.12 1ugo s ASP 9 N 0.42 -0.65 -0.24 1.11 -1.08 -1.26 -5.04 116.67 109.93 1ugo s ASP 9 Ca -0.17 1.24 -0.01 0.00 -0.52 0.00 0.00 52.55 53.09 1ugo s ASP 9 Cb -0.17 1.25 0.00 0.00 -1.46 0.00 0.00 42.92 42.54 1ugo s ASP 9 CO 0.07 -0.21 0.01 0.80 0.52 0.00 0.00 175.17 176.36 1ugo n MET 10 N 2.79 -2.92 0.00 4.34 1.56 -1.26 -5.05 117.12 116.58 1ugo n MET 10 Ca -0.14 2.43 0.00 0.00 -0.27 0.00 0.00 57.70 59.72 1ugo n MET 10 Cb 0.56 -4.48 0.00 0.00 2.15 0.00 0.00 33.22 31.45 1ugo n MET 10 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ugo n GLY 11 N 0.89 1.68 3.52 -5.12 0.00 -1.26 -5.13 105.19 99.78 1ugo n GLY 11 Ca -0.02 0.44 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 1ugo n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugo s ASN 12 N 0.00 5.99 -0.84 1.61 4.22 -1.26 -5.01 114.94 119.65 1ugo s ASN 12 Ca 0.00 -0.41 -0.25 0.00 -2.14 0.00 0.00 52.86 50.06 1ugo s ASN 12 Cb 0.00 -2.12 -0.02 0.00 1.28 0.00 0.00 41.25 40.39 1ugo s ASN 12 CO 0.00 -0.22 1.81 -1.58 -2.04 0.00 0.00 177.10 175.07 1ugo s GLN 13 N 1.71 2.77 0.31 3.55 0.74 -1.26 -4.93 119.66 122.55 1ugo s GLN 13 Ca 0.06 -0.19 -0.24 0.00 0.05 0.00 0.00 55.36 55.04 1ugo s GLN 13 Cb -0.17 -4.88 -0.16 0.00 1.10 0.00 0.00 33.01 28.89 1ugo s GLN 13 CO 0.10 -2.96 0.30 1.58 -0.55 0.00 0.00 175.29 173.76 1ugo n HIS 14 N 12.59 -1.32 0.20 1.67 -0.00 -1.26 -4.74 115.22 122.36 1ugo n HIS 14 Ca 0.32 0.78 0.08 0.00 -0.00 0.00 0.00 57.72 58.90 1ugo n HIS 14 Cb 0.49 -1.87 0.31 0.00 -0.00 0.00 0.00 29.99 28.92 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 0.65 0.00 0.22 1.57 0.13 -1.99 -1.29 132.00 131.30 1ugo h PRO 15 Ca -0.33 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.46 1ugo h PRO 15 Cb 1.44 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.60 1ugo h PRO 15 CO 0.52 0.27 -1.55 0.77 -0.23 0.00 0.00 178.00 177.77 1ugo h SER 16 N 0.00 0.74 -0.07 1.44 0.02 -1.92 -3.23 113.55 110.53 1ugo h SER 16 Ca -0.00 -0.88 -0.02 0.00 -0.84 0.00 0.00 61.79 60.05 1ugo h SER 16 Cb 0.95 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1ugo h SER 16 CO 0.03 1.70 -0.05 0.40 -1.14 0.00 0.00 176.83 177.78 1ugo h ILE 17 N 0.13 1.34 -0.42 3.27 1.08 -1.90 -2.03 117.51 118.97 1ugo h ILE 17 Ca -0.27 -1.11 0.12 0.00 -0.39 0.00 0.00 64.86 63.21 1ugo h ILE 17 Cb 2.14 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 37.79 1ugo h ILE 17 CO 0.24 0.31 0.53 -1.28 -0.69 0.00 0.00 178.15 177.26 1ugo h SER 18 N -0.24 0.00 0.13 1.72 0.87 -1.36 0.33 113.55 115.00 1ugo h SER 18 Ca 0.01 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.35 1ugo h SER 18 Cb 0.51 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1ugo h SER 18 CO 0.01 0.00 -1.07 -0.09 -0.53 0.00 0.00 176.83 175.16 1ugo h ARG 19 N 0.00 0.28 -0.76 2.24 9.65 -1.48 -3.23 114.38 121.07 1ugo h ARG 19 Ca 0.20 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.62 1ugo h ARG 19 Cb 1.26 0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.97 1ugo h ARG 19 CO -0.00 1.23 0.50 -0.07 2.80 0.00 0.00 179.97 184.43 1ugo h LEU 20 N -0.35 0.87 -2.67 3.80 4.07 0.22 0.67 115.31 121.91 1ugo h LEU 20 Ca -0.21 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.73 1ugo h LEU 20 Cb 1.69 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 43.22 1ugo h LEU 20 CO 0.11 0.62 -0.00 1.56 -1.08 0.00 0.00 178.44 179.65 1ugo h GLN 21 N 1.02 0.00 0.00 1.13 4.20 -0.85 0.80 115.11 121.41 1ugo h GLN 21 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1ugo h GLN 21 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1ugo h GLN 21 CO -0.07 0.00 -0.81 0.39 -0.67 0.00 0.00 178.83 177.68 1ugo n GLU 22 N -3.55 0.28 -0.07 1.46 1.02 0.09 -3.30 120.64 116.58 1ugo n GLU 22 Ca -0.03 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 1ugo n GLU 22 Cb 0.08 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.74 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 -2.02 1.63 -0.17 -3.67 5.41 0.97 -3.76 119.36 117.75 1ugo n ILE 23 Ca 0.03 -0.54 -0.07 0.00 1.00 0.00 0.00 62.75 63.17 1ugo n ILE 23 Cb 0.43 -1.67 0.02 0.00 -0.71 0.00 0.00 39.64 37.71 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 -0.16 0.69 -0.07 0.38 4.20 0.24 -1.42 115.11 118.98 1ugo h GLN 24 Ca -0.50 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 1ugo h GLN 24 Cb 1.87 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1ugo h GLN 24 CO -0.05 0.50 -0.03 0.07 -0.67 0.00 0.00 178.83 178.66 1ugo h ARG 25 N 0.69 0.10 0.38 1.46 0.11 -1.74 0.60 114.38 115.97 1ugo h ARG 25 Ca 0.18 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.23 1ugo h ARG 25 Cb -0.01 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1ugo h ARG 25 CO -0.03 0.14 -0.18 0.93 0.10 0.00 0.00 179.97 180.92 1ugo h GLU 26 N 0.10 -0.49 0.00 0.08 4.39 -1.38 1.05 114.58 118.32 1ugo h GLU 26 Ca 0.02 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1ugo h GLU 26 Cb 0.12 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1ugo h GLU 26 CO 0.00 -0.18 -0.06 -0.39 -1.16 0.00 0.00 179.01 177.23 1ugo h VAL 27 N -0.86 0.75 0.22 3.13 -1.51 -1.05 -0.16 116.25 116.76 1ugo h VAL 27 Ca -0.05 -0.23 -0.31 0.00 -1.23 0.00 0.00 66.70 64.88 1ugo h VAL 27 Cb 0.54 1.13 0.04 0.00 -2.13 0.00 0.00 31.29 30.87 1ugo h VAL 27 CO 0.09 0.06 -1.34 0.50 -1.23 0.00 0.00 177.57 175.65 1ugo h LYS 28 N 0.00 0.52 0.00 5.19 3.64 -0.68 0.34 116.57 125.59 1ugo h LYS 28 Ca -0.00 -0.85 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 1ugo h LYS 28 Cb 0.13 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1ugo h LYS 28 CO 0.01 1.40 0.00 0.00 -2.27 0.00 0.00 179.45 178.59 1ugo n ALA 29 N -2.70 1.58 0.27 5.00 0.00 0.36 -1.43 120.51 123.59 1ugo n ALA 29 Ca -0.16 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1ugo n ALA 29 Cb 1.04 -1.30 -0.01 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 -1.90 0.00 -0.22 0.00 -6.64 -0.18 -4.62 119.36 105.80 1ugo n ILE 30 Ca 0.02 -0.41 0.03 0.00 -1.77 0.00 0.00 62.75 60.62 1ugo n ILE 30 Cb 0.18 1.04 0.14 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 0.40 0.27 0.00 6.28 4.81 0.88 0.42 114.58 127.65 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 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1ugo h GLU 31 CO 0.00 0.18 0.00 -1.00 -0.73 0.00 0.00 179.01 177.46 1ugo h PRO 32 N 0.28 0.00 0.00 0.92 0.13 -1.82 0.19 132.00 131.70 1ugo h PRO 32 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1ugo h PRO 32 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1ugo h PRO 32 CO -0.44 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 179.29 1ugo h GLN 33 N 0.00 0.00 0.00 0.86 4.20 -0.45 -1.92 115.11 117.80 1ugo h GLN 33 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1ugo h GLN 33 Cb 0.68 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1ugo h GLN 33 CO 0.00 0.00 -1.75 1.33 -0.67 0.00 0.00 178.83 177.74 1ugo n VAL 34 N -2.58 0.75 0.07 -0.54 0.24 -0.74 -3.94 118.33 111.60 1ugo n VAL 34 Ca 0.03 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 1ugo n VAL 34 Cb 0.36 -0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 31.80 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 0.00 0.98 -0.99 3.34 2.07 -0.98 -2.84 116.25 117.83 1ugo h VAL 35 Ca -0.30 -0.28 -0.59 0.00 0.82 0.00 0.00 66.70 66.35 1ugo h VAL 35 Cb 1.56 1.16 -0.30 0.00 -1.52 0.00 0.00 31.29 32.19 1ugo h VAL 35 CO -0.02 0.07 0.74 0.61 0.02 0.00 0.00 177.57 179.00 1ugo n GLY 36 N -0.80 5.18 3.88 2.17 0.00 -0.73 -4.94 105.19 109.95 1ugo n GLY 36 Ca -0.08 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.56 3.60 -0.28 1.61 5.36 -1.07 -4.95 117.98 118.69 1ugo s PHE 37 Ca 0.61 1.18 0.01 0.00 -0.96 0.00 0.00 56.93 57.77 1ugo s PHE 37 Cb 0.49 -2.62 0.16 0.00 -0.34 0.00 0.00 43.02 40.72 1ugo s PHE 37 CO 0.05 -0.55 0.42 -1.12 -1.46 0.00 0.00 175.22 172.56 1ugo s SER 38 N -4.04 0.19 0.00 6.13 0.01 -1.26 -4.69 113.70 110.04 1ugo s SER 38 Ca 0.53 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1ugo s SER 38 Cb -0.11 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.31 1ugo s SER 38 CO 0.49 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1ugo n GLY 39 N 5.36 2.05 3.75 3.44 0.00 -1.23 -5.07 105.19 113.49 1ugo n GLY 39 Ca -0.00 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 5.54 -4.39 0.99 7.99 -1.26 -4.31 117.00 121.56 1ugo n LEU 40 Ca 0.00 1.00 -0.51 0.00 -0.01 0.00 0.00 56.01 56.49 1ugo n LEU 40 Cb 0.00 -1.59 -0.10 0.00 -0.11 0.00 0.00 43.42 41.62 1ugo n LEU 40 CO 0.00 -0.48 1.87 -1.54 -1.51 0.00 0.00 177.39 175.73 1ugo n SER 41 N -0.90 1.34 -1.70 -1.43 3.41 -1.26 -2.58 113.62 110.51 1ugo n SER 41 Ca 0.10 0.40 -0.01 0.00 -0.26 0.00 0.00 58.87 59.10 1ugo n SER 41 Cb 0.44 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 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 9.57 -2.89 -0.86 4.04 -0.08 -1.26 -5.01 116.55 120.05 1ugo n ASP 42 Ca 0.50 0.10 0.05 0.00 -1.51 0.00 0.00 54.79 53.93 1ugo n ASP 42 Cb 0.12 -1.66 0.08 0.00 2.34 0.00 0.00 41.12 42.01 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 -0.37 1.18 -1.91 1.67 9.92 -1.07 -4.96 116.55 121.01 1ugo n ASP 43 Ca 0.01 -2.67 -0.08 0.00 -0.53 0.00 0.00 54.79 51.53 1ugo n ASP 43 Cb 0.06 -0.36 0.04 0.00 -0.64 0.00 0.00 41.12 40.21 1ugo n ASP 43 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ugo n LYS 44 N -0.31 -2.88 0.00 -1.24 0.00 -1.26 -4.74 118.16 107.73 1ugo n LYS 44 Ca 0.10 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.75 1ugo n LYS 44 Cb 0.87 -3.87 0.00 0.00 0.00 0.00 0.00 35.03 32.02 1ugo n LYS 44 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ugo n ASN 45 N -1.36 0.00 0.04 3.14 3.02 -1.26 -4.93 115.26 113.90 1ugo n ASN 45 Ca -0.08 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.53 1ugo n ASN 45 Cb 0.55 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.98 1ugo n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ugo n TYR 46 N 0.00 0.20 -0.03 3.10 4.19 -1.26 -2.12 117.16 121.24 1ugo n TYR 46 Ca 0.00 0.09 -0.13 0.00 3.31 0.00 0.00 57.90 61.17 1ugo n TYR 46 Cb 0.00 -0.65 -0.10 0.00 0.49 0.00 0.00 39.34 39.08 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 0.00 0.10 -0.09 2.98 1.79 -1.96 -2.66 116.57 116.73 1ugo h LYS 47 Ca 0.00 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1ugo h LYS 47 Cb 0.14 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 1ugo h LYS 47 CO 0.00 0.67 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.85 1ugo h ARG 48 N -0.46 -0.12 -0.46 3.15 9.65 -1.83 1.47 114.38 125.77 1ugo h ARG 48 Ca -0.00 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 1ugo h ARG 48 Cb 0.67 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 29.18 1ugo h ARG 48 CO 0.02 -0.08 -0.18 -0.07 2.80 0.00 0.00 179.97 182.46 1ugo h LEU 49 N -0.12 -0.63 0.36 3.80 3.38 -1.61 0.11 115.31 120.60 1ugo h LEU 49 Ca 0.07 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1ugo h LEU 49 Cb 0.22 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ugo h LEU 49 CO -0.16 -0.21 -0.17 -0.08 0.09 0.00 0.00 178.44 177.90 1ugo h GLU 50 N -0.08 -0.46 -1.11 1.13 4.81 -1.03 -3.02 114.58 114.82 1ugo h GLU 50 Ca 0.22 0.03 0.42 0.00 -0.13 0.00 0.00 59.36 59.91 1ugo h GLU 50 Cb 0.42 0.11 -0.16 0.00 0.63 0.00 0.00 28.75 29.74 1ugo h GLU 50 CO -0.52 -0.14 0.64 0.00 -0.73 0.00 0.00 179.01 178.26 1ugo h ARG 51 N -0.85 0.04 0.03 1.92 2.47 0.26 0.67 114.38 118.92 1ugo h ARG 51 Ca -0.05 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1ugo h ARG 51 Cb 0.53 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1ugo h ARG 51 CO 0.08 0.02 -0.02 0.82 0.56 0.00 0.00 179.97 181.43 1ugo h ILE 52 N 0.04 0.00 -0.49 2.04 2.04 -0.66 1.47 117.51 121.95 1ugo h ILE 52 Ca 0.84 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.75 1ugo h ILE 52 Cb 2.35 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 1ugo h ILE 52 CO -0.67 0.00 -0.34 -0.07 0.00 0.00 0.00 178.15 177.07 1ugo h LEU 53 N -0.05 -1.23 -0.40 1.44 -0.00 -0.90 1.58 115.31 115.76 1ugo h LEU 53 Ca -0.00 0.18 0.08 0.00 -0.00 0.00 0.00 57.88 58.14 1ugo h LEU 53 Cb 0.04 0.53 -0.09 0.00 -0.00 0.00 0.00 40.66 41.15 1ugo h LEU 53 CO 0.00 -0.16 -0.23 0.00 -0.00 0.00 0.00 178.44 178.05 1ugo h THR 54 N -0.07 0.37 -0.68 0.22 1.03 -1.25 1.81 112.91 114.35 1ugo h THR 54 Ca 0.08 0.00 0.10 0.00 -0.01 0.00 0.00 66.41 66.58 1ugo h THR 54 Cb 0.27 0.37 -0.08 0.00 -1.07 0.00 0.00 68.15 67.65 1ugo h THR 54 CO -0.50 0.00 0.30 0.50 -0.01 0.00 0.00 175.52 175.81 1ugo h LYS 55 N -0.16 0.48 -0.04 0.00 3.11 0.45 0.38 116.57 120.80 1ugo h LYS 55 Ca 0.19 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.99 1ugo h LYS 55 Cb 0.46 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1ugo h LYS 55 CO -0.49 0.32 -0.02 1.96 -2.81 0.00 0.00 179.45 178.41 1ugo h GLN 56 N 0.50 0.08 -0.03 1.90 1.08 0.45 -2.97 115.11 116.12 1ugo h GLN 56 Ca 0.35 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.55 1ugo h GLN 56 Cb 0.42 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.79 1ugo h GLN 56 CO -0.31 0.46 -0.40 1.25 -0.95 0.00 0.00 178.83 178.88 1ugo h LEU 57 N -0.31 -1.22 -1.89 1.46 7.12 0.35 0.29 115.31 121.11 1ugo h LEU 57 Ca 0.01 0.15 0.32 0.00 0.13 0.00 0.00 57.88 58.49 1ugo h LEU 57 Cb 0.43 0.48 -0.04 0.00 -0.53 0.00 0.00 40.66 41.00 1ugo h LEU 57 CO 0.00 -0.44 0.87 0.15 -0.13 0.00 0.00 178.44 178.89 1ugo h PHE 58 N -0.53 0.00 0.02 1.25 3.04 -0.29 1.59 116.94 122.01 1ugo h PHE 58 Ca 0.06 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.80 1ugo h PHE 58 Cb 0.63 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 1ugo h PHE 58 CO -0.42 0.00 -0.98 0.93 -2.02 0.00 0.00 178.31 175.81 1ugo h GLU 59 N 0.00 0.06 0.14 1.11 4.39 -0.33 -2.36 114.58 117.59 1ugo h GLU 59 Ca 0.52 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 1ugo h GLU 59 Cb 2.25 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.93 1ugo h GLU 59 CO -0.01 0.99 -0.07 0.82 -1.16 0.00 0.00 179.01 179.59 1ugo h ILE 60 N 0.02 0.99 0.00 3.13 2.04 0.37 -1.94 117.51 122.12 1ugo h ILE 60 Ca -0.03 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1ugo h ILE 60 Cb 1.71 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1ugo h ILE 60 CO 0.14 0.14 -0.12 -0.78 0.00 0.00 0.00 178.15 177.53 1ugo h ASP 61 N -0.48 0.00 0.44 1.72 1.82 -1.39 -1.30 116.42 117.24 1ugo h ASP 61 Ca -0.02 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.52 1ugo h ASP 61 Cb 0.38 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1ugo h ASP 61 CO 0.03 0.12 -0.46 -1.28 -1.61 0.00 0.00 179.24 176.04 1ugo h SER 62 N 0.00 0.03 -2.18 2.28 0.87 -0.99 -3.42 113.55 110.15 1ugo h SER 62 Ca -0.00 -0.01 -0.55 0.00 -1.23 0.00 0.00 61.79 59.99 1ugo h SER 62 Cb 0.37 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1ugo h SER 62 CO 0.02 0.49 1.42 -0.69 -0.53 0.00 0.00 176.83 177.54 1ugo s VAL 63 N -3.98 3.22 -0.02 2.23 1.01 -0.49 -4.89 120.40 117.48 1ugo s VAL 63 Ca -0.02 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1ugo s VAL 63 Cb 0.14 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1ugo s VAL 63 CO 0.74 -0.26 1.89 -0.62 0.00 0.00 0.00 175.10 176.86 1ugo s ASP 64 N 8.12 6.42 -0.04 3.32 2.15 -1.26 -4.86 116.67 130.51 1ugo s ASP 64 Ca 0.89 2.45 -0.00 0.00 0.43 0.00 0.00 52.55 56.31 1ugo s ASP 64 Cb -0.24 -2.53 -0.26 0.00 -0.30 0.00 0.00 42.92 39.59 1ugo s ASP 64 CO 0.31 -1.11 0.67 0.71 -0.17 0.00 0.00 175.17 175.59 1ugo h THR 65 N 5.77 0.93 -2.54 1.71 1.35 -1.91 -3.48 112.91 114.74 1ugo h THR 65 Ca -0.46 -2.65 -0.30 0.00 -0.55 0.00 0.00 66.41 62.45 1ugo h THR 65 Cb 1.22 2.61 -0.06 0.00 -1.73 0.00 0.00 68.15 70.18 1ugo h THR 65 CO 0.95 0.76 -0.34 1.21 -0.25 0.00 0.00 175.52 177.85 1ugo n GLU 66 N -3.36 -1.73 -2.68 4.72 2.13 -1.26 -0.20 120.64 118.26 1ugo n GLU 66 Ca -0.21 0.80 -0.06 0.00 0.66 0.00 0.00 57.16 58.35 1ugo n GLU 66 Cb 1.05 -5.27 0.02 0.00 0.27 0.00 0.00 31.44 27.50 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 -0.61 0.51 3.31 8.31 0.00 -1.26 -5.01 105.19 110.44 1ugo n GLY 67 Ca -0.17 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -5.18 2.77 0.22 1.61 1.02 0.72 -4.96 119.74 115.95 1ugo s LYS 68 Ca 0.13 -1.49 -0.13 0.00 0.02 0.00 0.00 55.97 54.50 1ugo s LYS 68 Cb -0.06 -3.99 0.28 0.00 -0.52 0.00 0.00 37.83 33.54 1ugo s LYS 68 CO 0.16 -1.06 1.61 0.78 -0.92 0.00 0.00 175.35 175.92 1ugo h GLY 69 N 8.60 0.48 -0.47 -3.33 0.00 -1.95 1.54 103.07 107.94 1ugo h GLY 69 Ca -0.26 0.24 0.29 0.00 0.00 0.00 0.00 47.33 47.61 1ugo h GLY 69 CO 0.85 -0.27 0.95 -0.55 0.00 0.00 0.00 176.54 177.52 1ugo h ASP 70 N -0.01 0.00 0.00 0.19 3.32 -1.97 0.62 116.42 118.58 1ugo h ASP 70 Ca 0.34 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.18 1ugo h ASP 70 Cb 0.52 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1ugo h ASP 70 CO -0.73 0.00 -1.64 -0.38 -1.72 0.00 0.00 179.24 174.77 1ugo n ILE 71 N -3.65 1.43 -0.25 0.35 5.41 0.41 -3.81 119.36 119.25 1ugo n ILE 71 Ca 0.22 -0.09 0.32 0.00 1.00 0.00 0.00 62.75 64.20 1ugo n ILE 71 Cb 1.28 -2.06 0.64 0.00 -0.71 0.00 0.00 39.64 38.78 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 -0.90 0.00 0.00 0.38 4.15 0.27 1.58 115.11 120.58 1ugo h GLN 72 Ca -0.31 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 1ugo h GLN 72 Cb 1.23 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1ugo h GLN 72 CO -0.19 0.00 -0.05 1.96 -1.93 0.00 0.00 178.83 178.62 1ugo h GLN 73 N 0.00 0.00 0.47 1.69 7.50 0.01 -3.21 115.11 121.57 1ugo h GLN 73 Ca 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.64 1ugo h GLN 73 Cb 2.52 0.00 0.00 0.00 0.05 0.00 0.00 27.48 30.06 1ugo h GLN 73 CO -0.01 0.57 -0.23 0.00 -1.50 0.00 0.00 178.83 177.67 1ugo h ALA 74 N -0.44 -0.64 -0.39 3.87 0.00 -0.48 -1.10 119.26 120.09 1ugo h ALA 74 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ugo h ALA 74 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ugo h ALA 74 CO -0.01 -0.72 0.00 -2.13 0.00 0.00 0.00 179.25 176.39 1ugo n ARG 75 N -5.26 0.00 -0.21 0.00 0.63 0.50 0.21 116.66 112.52 1ugo n ARG 75 Ca -0.11 0.81 0.01 0.00 -0.92 0.00 0.00 57.85 57.65 1ugo n ARG 75 Cb 0.31 -1.25 0.11 0.00 0.45 0.00 0.00 32.46 32.07 1ugo n ARG 75 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1ugo h LYS 76 N 0.00 0.15 -0.24 -0.14 2.10 -1.64 0.54 116.57 117.34 1ugo h LYS 76 Ca 0.00 -0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.70 1ugo h LYS 76 Cb 0.00 -0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 31.23 1ugo h LYS 76 CO 0.00 0.10 -0.26 0.00 -2.00 0.00 0.00 179.45 177.29 1ugo h ARG 77 N 0.15 -0.26 -0.17 0.07 2.47 0.10 0.28 114.38 117.02 1ugo h ARG 77 Ca 0.33 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1ugo h ARG 77 Cb 0.53 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1ugo h ARG 77 CO -0.51 -0.17 0.10 0.00 0.56 0.00 0.00 179.97 179.96 1ugo h ALA 78 N 0.75 0.22 -1.10 0.04 0.00 0.41 -1.32 119.26 118.27 1ugo h ALA 78 Ca 0.13 -0.03 0.30 0.00 0.00 0.00 0.00 54.91 55.31 1ugo h ALA 78 Cb 0.47 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1ugo h ALA 78 CO -0.39 -0.27 0.71 0.00 0.00 0.00 0.00 179.25 179.30 1ugo h ALA 79 N 1.03 2.37 0.13 0.00 0.00 0.99 0.14 119.26 123.92 1ugo h ALA 79 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ugo h ALA 79 Cb 0.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ugo h ALA 79 CO -0.01 -0.82 -0.06 1.96 0.00 0.00 0.00 179.25 180.31 1ugo h GLN 80 N 0.31 -0.17 -0.38 0.00 4.20 0.09 -2.70 115.11 116.45 1ugo h GLN 80 Ca 0.64 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.40 1ugo h GLN 80 Cb 1.75 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.51 1ugo h GLN 80 CO -0.31 0.28 -0.38 0.93 -0.67 0.00 0.00 178.83 178.68 1ugo h GLU 81 N -0.73 -0.19 -0.20 1.46 3.07 0.18 1.25 114.58 119.42 1ugo h GLU 81 Ca -0.02 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1ugo h GLU 81 Cb 0.53 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.42 1ugo h GLU 81 CO 0.03 -0.13 -0.47 1.15 -1.40 0.00 0.00 179.01 178.19 1ugo h THR 82 N -0.20 0.00 0.00 1.13 2.02 -1.38 0.77 112.91 115.25 1ugo h THR 82 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1ugo h THR 82 Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1ugo h THR 82 CO -0.46 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.25 1ugo h GLU 83 N -0.44 0.00 -0.23 6.66 4.39 -1.01 0.13 114.58 124.07 1ugo h GLU 83 Ca 0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 1ugo h GLU 83 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1ugo h GLU 83 CO -0.43 0.00 -0.51 -0.09 -1.16 0.00 0.00 179.01 176.82 1ugo h ARG 84 N 0.00 0.76 0.01 2.33 2.43 0.82 -3.12 114.38 117.60 1ugo h ARG 84 Ca 0.00 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 1ugo h ARG 84 Cb 0.31 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1ugo h ARG 84 CO 0.00 1.13 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.37 1ugo h LEU 85 N 0.50 0.12 -0.90 3.80 3.38 0.24 -3.20 115.31 119.26 1ugo h LEU 85 Ca 0.00 -0.82 0.33 0.00 0.09 0.00 0.00 57.88 57.49 1ugo h LEU 85 Cb 1.12 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1ugo h LEU 85 CO 0.11 0.92 0.32 0.18 0.09 0.00 0.00 178.44 180.07 1ugo n LEU 86 N -4.58 0.17 0.39 1.67 4.77 -0.39 0.11 117.00 119.13 1ugo n LEU 86 Ca -0.10 1.50 -0.17 0.00 -0.03 0.00 0.00 56.01 57.21 1ugo n LEU 86 Cb 0.47 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1ugo n LEU 86 CO 0.37 -1.62 0.49 0.11 -1.33 0.00 0.00 177.39 175.41 1ugo h LYS 87 N 0.00 -0.96 -0.66 3.23 1.79 -1.57 -2.66 116.57 115.73 1ugo h LYS 87 Ca 0.68 0.07 0.14 0.00 -2.18 0.00 0.00 60.65 59.36 1ugo h LYS 87 Cb 1.70 0.22 -0.12 0.00 -1.58 0.00 0.00 32.23 32.45 1ugo h LYS 87 CO -0.74 -0.62 -0.04 0.93 -1.08 0.00 0.00 179.45 177.90 1ugo h GLU 88 N -1.17 0.08 -0.50 3.15 4.39 0.72 -0.26 114.58 120.99 1ugo h GLU 88 Ca -0.10 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.67 1ugo h GLU 88 Cb 0.78 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.32 1ugo h GLU 88 CO 0.17 0.05 -0.45 1.25 -1.16 0.00 0.00 179.01 178.87 1ugo h LEU 89 N 0.08 -1.52 -0.22 1.33 5.85 -0.26 1.40 115.31 121.99 1ugo h LEU 89 Ca 0.34 0.24 0.04 0.00 0.84 0.00 0.00 57.88 59.34 1ugo h LEU 89 Cb 0.57 0.67 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 1ugo h LEU 89 CO -0.60 -0.35 -0.55 -0.33 -0.34 0.00 0.00 178.44 176.27 1ugo h GLU 90 N -0.28 -0.51 0.51 1.25 5.08 -0.70 0.42 114.58 120.34 1ugo h GLU 90 Ca 0.15 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1ugo h GLU 90 Cb 0.57 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1ugo h GLU 90 CO -0.64 -0.34 -0.35 1.96 -1.00 0.00 0.00 179.01 178.63 1ugo h GLN 91 N -0.53 -0.79 -1.57 2.33 4.20 -0.67 -1.49 115.11 116.59 1ugo h GLN 91 Ca 0.04 0.05 0.49 0.00 0.06 0.00 0.00 58.65 59.30 1ugo h GLN 91 Cb 0.66 0.18 -0.11 0.00 0.30 0.00 0.00 27.48 28.51 1ugo h GLN 91 CO -0.49 -0.53 1.08 -0.97 -0.67 0.00 0.00 178.83 177.25 1ugo h ASN 92 N -0.82 0.13 0.00 1.46 -0.73 0.21 -0.26 115.58 115.57 1ugo h ASN 92 Ca -0.07 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1ugo h ASN 92 Cb 0.67 0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1ugo h ASN 92 CO 0.04 -0.12 0.00 0.00 -0.37 0.00 0.00 177.43 176.98 1ugo n ALA 93 N -2.69 -0.16 0.00 1.57 0.00 0.14 -4.57 120.51 114.81 1ugo n ALA 93 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1ugo n ALA 93 Cb 1.67 0.23 0.00 0.00 0.00 0.00 0.00 19.45 21.35 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 -1.99 0.00 0.00 0.00 2.88 -0.11 -3.54 113.62 110.87 1ugo n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ugo n SER 94 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ugo n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 95 N 0.00 3.16 0.12 0.46 0.00 -1.26 -5.02 105.19 102.65 1ugo n GLY 95 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -0.19 -4.41 1.61 0.13 -1.94 -3.42 132.00 123.79 1ugo h PRO 96 Ca 0.00 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1ugo h PRO 96 Cb 0.00 0.04 -0.10 0.00 0.13 0.00 0.00 31.00 31.07 1ugo h PRO 96 CO 0.00 0.20 -1.15 0.43 -0.23 0.00 0.00 178.00 177.25 1ugo n SER 97 N -4.89 -0.72 -4.50 1.44 7.64 -1.26 -5.00 113.62 106.33 1ugo n SER 97 Ca -0.06 0.96 -0.35 0.00 1.01 0.00 0.00 58.87 60.42 1ugo n SER 97 Cb 0.24 -4.04 -0.12 0.00 -1.01 0.00 0.00 64.21 59.28 1ugo n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugo s SER 98 N -0.47 5.18 0.00 6.43 0.15 -1.26 -5.23 113.70 118.50 1ugo s SER 98 Ca -0.21 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 56.60 1ugo s SER 98 Cb 0.01 -1.90 1.00 0.00 -1.71 0.00 0.00 66.02 63.43 1ugo s SER 98 CO 0.57 0.06 1.72 0.61 1.20 0.00 0.00 173.24 177.40