#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugi h ASN 3 N 0.00 -0.35 -0.50 1.09 -0.26 -2.03 -2.65 115.58 110.89 1ugi h ASN 3 Ca 0.00 -0.05 0.09 0.00 -0.56 0.00 0.00 56.30 55.77 1ugi h ASN 3 Cb 0.00 0.09 -0.07 0.00 -1.06 0.00 0.00 38.32 37.28 1ugi h ASN 3 CO 0.00 -0.17 0.09 -0.07 -1.06 0.00 0.00 177.43 176.22 1ugi h LEU 4 N -0.51 -0.01 -0.93 1.61 3.38 -2.01 -1.95 115.31 114.89 1ugi h LEU 4 Ca -0.04 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1ugi h LEU 4 Cb 0.38 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1ugi h LEU 4 CO 0.07 0.02 0.59 0.77 0.09 0.00 0.00 178.44 179.98 1ugi h SER 5 N 0.23 0.91 -0.34 -0.43 4.64 -1.94 -2.11 113.55 114.50 1ugi h SER 5 Ca 0.25 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1ugi h SER 5 Cb 0.34 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1ugi h SER 5 CO -0.33 0.57 0.22 0.44 -0.87 0.00 0.00 176.83 176.85 1ugi h ASP 6 N 1.04 0.40 -0.77 4.97 3.32 -0.98 0.98 116.42 125.37 1ugi h ASP 6 Ca 0.42 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 1ugi h ASP 6 Cb 0.23 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1ugi h ASP 6 CO -0.19 0.31 0.44 0.40 -1.72 0.00 0.00 179.24 178.48 1ugi h ILE 7 N 0.46 1.23 0.00 0.35 2.04 -1.34 0.18 117.51 120.42 1ugi h ILE 7 Ca 0.12 -0.54 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 1ugi h ILE 7 Cb -0.03 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1ugi h ILE 7 CO -0.03 0.25 -0.59 0.40 0.00 0.00 0.00 178.15 178.18 1ugi h ILE 8 N 1.09 1.27 -0.19 -0.67 2.04 -0.87 -1.22 117.51 118.95 1ugi h ILE 8 Ca 0.28 -2.13 -0.21 0.00 1.00 0.00 0.00 64.86 63.80 1ugi h ILE 8 Cb 0.00 2.20 0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1ugi h ILE 8 CO -0.05 0.58 -0.69 -0.08 0.00 0.00 0.00 178.15 177.91 1ugi h GLU 9 N 0.00 0.78 -1.00 2.37 4.22 -0.10 0.79 114.58 121.63 1ugi h GLU 9 Ca -0.01 -0.58 0.05 0.00 0.08 0.00 0.00 59.36 58.90 1ugi h GLU 9 Cb 1.15 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 1ugi h GLU 9 CO 0.08 1.20 0.65 1.57 -2.18 0.00 0.00 179.01 180.33 1ugi h LYS 10 N 0.56 1.20 0.06 1.92 5.09 -0.54 0.23 116.57 125.09 1ugi h LYS 10 Ca -0.03 -0.07 -0.27 0.00 0.09 0.00 0.00 60.65 60.37 1ugi h LYS 10 Cb 1.31 -0.27 0.02 0.00 0.10 0.00 0.00 32.23 33.38 1ugi h LYS 10 CO 0.14 0.80 -1.12 1.49 -2.09 0.00 0.00 179.45 178.67 1ugi h GLU 11 N 1.24 0.54 0.00 0.07 4.57 -0.83 -3.38 114.58 116.79 1ugi h GLU 11 Ca 0.41 -0.67 -0.05 0.00 -1.18 0.00 0.00 59.36 57.87 1ugi h GLU 11 Cb 0.06 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1ugi h GLU 11 CO -0.14 1.27 -1.82 0.25 -1.18 0.00 0.00 179.01 177.39 1ugi n THR 12 N -3.76 0.20 -0.93 0.32 -2.24 0.24 -4.98 114.28 103.13 1ugi n THR 12 Ca -0.11 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1ugi n THR 12 Cb 0.93 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1ugi n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugi n GLY 13 N 1.65 0.49 3.03 3.38 0.00 0.80 -5.04 105.19 109.51 1ugi n GLY 13 Ca -0.07 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 1ugi n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugi s LYS 14 N -0.77 0.45 -0.63 1.61 1.02 -1.25 -5.06 119.74 115.11 1ugi s LYS 14 Ca 0.00 -0.87 -0.27 0.00 0.02 0.00 0.00 55.97 54.85 1ugi s LYS 14 Cb 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1ugi s LYS 14 CO 0.00 -0.08 1.60 -1.14 -0.92 0.00 0.00 175.35 174.81 1ugi s GLN 15 N -2.52 2.96 0.20 1.68 -0.44 -1.26 -4.23 119.66 116.05 1ugi s GLN 15 Ca -0.06 0.36 0.07 0.00 -2.50 0.00 0.00 55.36 53.23 1ugi s GLN 15 Cb -0.02 -4.27 -0.04 0.00 -1.64 0.00 0.00 33.01 27.04 1ugi s GLN 15 CO -0.05 -2.37 0.07 -0.51 0.50 0.00 0.00 175.29 172.93 1ugi s LEU 16 N 7.40 3.50 -0.05 3.68 1.43 -1.26 -5.08 118.68 128.30 1ugi s LEU 16 Ca 0.55 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.02 1ugi s LEU 16 Cb -0.11 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1ugi s LEU 16 CO 0.20 0.04 0.93 -0.69 0.23 0.00 0.00 176.35 177.07 1ugi s VAL 17 N -1.92 4.88 -0.30 -1.59 1.01 -1.26 -5.02 120.40 116.20 1ugi s VAL 17 Ca 0.30 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 64.06 1ugi s VAL 17 Cb -0.09 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1ugi s VAL 17 CO 0.21 0.13 0.35 -0.63 0.00 0.00 0.00 175.10 175.16 1ugi s ILE 18 N 1.30 5.19 0.88 2.22 1.01 -1.26 -4.25 121.20 126.28 1ugi s ILE 18 Ca 0.48 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 1ugi s ILE 18 Cb -0.19 -3.73 0.12 0.00 0.01 0.00 0.00 42.46 38.66 1ugi s ILE 18 CO 0.23 0.06 1.10 -1.10 0.00 0.00 0.00 174.94 175.23 1ugi s GLN 19 N 2.02 1.42 0.23 2.79 -1.52 0.76 -4.94 119.66 120.42 1ugi s GLN 19 Ca 0.13 0.66 -0.32 0.00 -1.95 0.00 0.00 55.36 53.88 1ugi s GLN 19 Cb -0.16 -1.84 -0.13 0.00 -0.22 0.00 0.00 33.01 30.66 1ugi s GLN 19 CO 0.11 -2.09 1.54 0.39 -0.25 0.00 0.00 175.29 175.00 1ugi n GLU 20 N -3.75 2.34 -1.70 2.91 -0.58 -1.26 -4.37 120.64 114.23 1ugi n GLU 20 Ca 0.07 0.84 -0.34 0.00 -0.42 0.00 0.00 57.16 57.30 1ugi n GLU 20 Cb 0.56 -2.58 0.06 0.00 -0.57 0.00 0.00 31.44 28.91 1ugi n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ugi s SER 21 N 0.62 4.77 -0.10 1.62 1.04 -1.26 -4.80 113.70 115.59 1ugi s SER 21 Ca 0.71 2.24 0.03 0.00 0.48 0.00 0.00 55.95 59.41 1ugi s SER 21 Cb -0.60 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 62.95 1ugi s SER 21 CO 0.44 -1.87 -0.21 -0.63 0.98 0.00 0.00 173.24 171.95 1ugi s ILE 22 N -2.01 1.82 0.12 -1.02 1.01 -0.69 -4.93 121.20 115.50 1ugi s ILE 22 Ca 0.72 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 1ugi s ILE 22 Cb -0.26 -1.60 -0.07 0.00 0.01 0.00 0.00 42.46 40.54 1ugi s ILE 22 CO 0.41 0.51 0.80 -0.22 0.00 0.00 0.00 174.94 176.43 1ugi s LEU 23 N 0.52 4.53 0.10 2.97 2.96 -1.26 -0.92 118.68 127.59 1ugi s LEU 23 Ca -0.16 1.60 0.10 0.00 -0.22 0.00 0.00 54.13 55.46 1ugi s LEU 23 Cb -0.17 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1ugi s LEU 23 CO 0.06 0.10 -0.26 -0.04 -1.32 0.00 0.00 176.35 174.89 1ugi s MET 24 N -0.61 1.59 0.44 1.98 -1.94 0.10 -4.98 119.30 115.89 1ugi s MET 24 Ca 0.38 -1.24 -0.18 0.00 -1.71 0.00 0.00 55.69 52.94 1ugi s MET 24 Cb -0.22 -1.96 -0.09 0.00 2.01 0.00 0.00 34.83 34.57 1ugi s MET 24 CO 0.26 0.48 0.92 -0.51 -0.01 0.00 0.00 175.02 176.16 1ugi s LEU 25 N -1.78 3.84 0.33 -0.03 1.43 -1.26 -1.72 118.68 119.49 1ugi s LEU 25 Ca 0.14 1.56 0.10 0.00 -1.03 0.00 0.00 54.13 54.89 1ugi s LEU 25 Cb -0.10 -4.44 0.86 0.00 0.03 0.00 0.00 46.19 42.55 1ugi s LEU 25 CO 0.05 -0.42 1.77 -0.65 0.23 0.00 0.00 176.35 177.32 1ugi h PRO 26 N 1.56 0.61 0.00 1.29 0.11 -1.86 0.35 132.00 134.06 1ugi h PRO 26 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ugi h PRO 26 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ugi h PRO 26 CO 0.62 0.40 0.00 0.93 -0.21 0.00 0.00 178.00 179.74 1ugi h GLU 27 N 0.63 0.00 0.00 1.05 3.07 -1.93 -2.84 114.58 114.56 1ugi h GLU 27 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1ugi h GLU 27 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1ugi h GLU 27 CO -0.38 0.00 -0.12 0.93 -1.40 0.00 0.00 179.01 178.04 1ugi h GLU 28 N 0.00 0.00 0.00 2.33 5.08 -0.67 -3.30 114.58 118.02 1ugi h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ugi h GLU 28 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ugi h GLU 28 CO 0.00 0.00 -1.03 1.55 -1.00 0.00 0.00 179.01 178.53 1ugi n VAL 29 N -2.29 0.00 0.21 3.13 3.14 -1.14 -4.74 118.33 116.65 1ugi n VAL 29 Ca 0.05 -0.25 0.09 0.00 -2.96 0.00 0.00 64.34 61.27 1ugi n VAL 29 Cb 0.44 0.62 0.42 0.00 -1.06 0.00 0.00 33.84 34.26 1ugi n VAL 29 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 1ugi h GLU 30 N 0.00 0.00 0.39 1.45 4.11 -1.58 -2.72 114.58 116.23 1ugi h GLU 30 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ugi h GLU 30 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ugi h GLU 30 CO 0.00 0.25 -0.19 0.93 0.07 0.00 0.00 179.01 180.07 1ugi h GLU 31 N 0.00 -0.51 -0.47 1.06 4.39 -1.85 0.32 114.58 117.53 1ugi h GLU 31 Ca -0.00 0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 1ugi h GLU 31 Cb 0.79 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1ugi h GLU 31 CO 0.03 -0.22 -0.16 -0.24 -1.16 0.00 0.00 179.01 177.26 1ugi h VAL 32 N -0.78 1.27 0.03 3.13 3.04 -1.89 -3.09 116.25 117.97 1ugi h VAL 32 Ca -0.05 -1.29 -0.24 0.00 -1.01 0.00 0.00 66.70 64.10 1ugi h VAL 32 Cb 0.53 1.08 0.01 0.00 -2.01 0.00 0.00 31.29 30.89 1ugi h VAL 32 CO 0.09 0.45 -1.03 0.40 -1.01 0.00 0.00 177.57 176.47 1ugi h ILE 33 N 0.80 1.40 0.00 3.17 1.08 -1.55 -3.48 117.51 118.93 1ugi h ILE 33 Ca 0.12 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1ugi h ILE 33 Cb 0.70 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.98 1ugi h ILE 33 CO 0.05 0.76 0.00 0.61 -0.69 0.00 0.00 178.15 178.88 1ugi n GLY 34 N 1.09 0.75 3.28 5.37 0.00 0.11 -5.05 105.19 110.74 1ugi n GLY 34 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1ugi n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugi s ASN 35 N -2.48 -0.27 -0.14 1.61 0.01 -1.13 -5.01 114.94 107.54 1ugi s ASN 35 Ca 0.00 0.24 -0.20 0.00 -0.71 0.00 0.00 52.86 52.19 1ugi s ASN 35 Cb 0.00 0.39 -0.04 0.00 0.41 0.00 0.00 41.25 42.02 1ugi s ASN 35 CO 0.00 -0.43 0.56 -0.75 -1.51 0.00 0.00 177.10 174.97 1ugi s LYS 36 N -1.15 4.31 0.53 -0.60 2.20 -1.26 -4.16 119.74 119.62 1ugi s LYS 36 Ca -0.12 0.57 -0.09 0.00 -0.36 0.00 0.00 55.97 55.97 1ugi s LYS 36 Cb -0.04 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1ugi s LYS 36 CO 0.05 0.01 0.90 -1.25 -0.36 0.00 0.00 175.35 174.69 1ugi s PRO 37 N 1.09 3.63 0.00 4.03 0.04 -1.26 -4.94 135.00 137.59 1ugi s PRO 37 Ca 0.29 0.53 0.21 0.00 0.04 0.00 0.00 61.00 62.07 1ugi s PRO 37 Cb -0.16 -2.23 1.25 0.00 0.04 0.00 0.00 34.50 33.40 1ugi s PRO 37 CO 0.12 -0.34 1.79 -0.85 0.04 0.00 0.00 177.00 177.76 1ugi n GLU 38 N -2.28 0.98 -3.87 4.56 0.00 -1.26 -4.76 120.64 114.01 1ugi n GLU 38 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.17 1ugi n GLU 38 Cb 0.54 -1.34 0.01 0.00 0.00 0.00 0.00 31.44 30.66 1ugi n GLU 38 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1ugi s SER 39 N -1.68 -0.02 0.72 -1.84 0.01 -1.26 -5.09 113.70 104.54 1ugi s SER 39 Ca 0.31 -0.61 -0.15 0.00 1.31 0.00 0.00 55.95 56.81 1ugi s SER 39 Cb 0.14 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.87 1ugi s SER 39 CO 0.24 -0.93 1.21 -1.81 0.41 0.00 0.00 173.24 172.37 1ugi s ASP 40 N -3.37 4.30 0.03 2.44 1.01 -1.26 -4.37 116.67 115.44 1ugi s ASP 40 Ca 0.21 2.37 0.08 0.00 0.71 0.00 0.00 52.55 55.92 1ugi s ASP 40 Cb -0.02 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1ugi s ASP 40 CO 0.04 -2.19 -0.22 -0.63 0.21 0.00 0.00 175.17 172.37 1ugi s ILE 41 N -1.92 1.80 -0.18 0.77 -1.09 -0.70 -3.85 121.20 116.02 1ugi s ILE 41 Ca 0.75 -1.16 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 1ugi s ILE 41 Cb -0.30 -1.54 -0.05 0.00 -1.58 0.00 0.00 42.46 39.00 1ugi s ILE 41 CO 0.44 0.33 0.11 -0.76 -1.23 0.00 0.00 174.94 173.83 1ugi s LEU 42 N -0.99 4.13 -0.28 2.97 1.43 0.30 0.03 118.68 126.26 1ugi s LEU 42 Ca 0.09 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1ugi s LEU 42 Cb -0.09 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1ugi s LEU 42 CO 0.01 0.22 0.18 -0.69 0.23 0.00 0.00 176.35 176.30 1ugi s VAL 43 N 0.09 5.19 -0.31 -1.59 1.01 -0.09 -1.03 120.40 123.67 1ugi s VAL 43 Ca 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1ugi s VAL 43 Cb -0.11 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1ugi s VAL 43 CO -0.00 0.24 0.02 -1.00 0.00 0.00 0.00 175.10 174.35 1ugi s HIS 44 N 1.74 3.26 -0.05 5.22 0.09 0.01 -1.70 115.29 123.85 1ugi s HIS 44 Ca 0.07 -1.77 -0.04 0.00 -0.00 0.00 0.00 55.06 53.32 1ugi s HIS 44 Cb -0.16 -2.14 -0.04 0.00 -0.00 0.00 0.00 32.58 30.24 1ugi s HIS 44 CO 0.10 -0.79 0.14 0.99 -0.00 0.00 0.00 174.74 175.19 1ugi s THR 45 N 1.29 5.29 -0.04 1.30 2.01 -1.26 0.09 115.64 124.32 1ugi s THR 45 Ca -0.04 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1ugi s THR 45 Cb -0.20 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1ugi s THR 45 CO -0.00 0.44 0.02 0.00 -0.69 0.00 0.00 174.62 174.39 1ugi s ALA 46 N -1.19 0.32 0.06 7.40 0.00 0.36 -0.17 121.76 128.55 1ugi s ALA 46 Ca 0.22 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 1ugi s ALA 46 Cb -0.12 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 1ugi s ALA 46 CO 0.12 -0.24 0.61 -0.47 0.00 0.00 0.00 175.76 175.78 1ugi s TYR 47 N 1.46 3.79 -0.41 0.00 5.04 -1.26 -0.34 117.35 125.62 1ugi s TYR 47 Ca -0.04 1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1ugi s TYR 47 Cb -0.13 -2.57 0.11 0.00 0.35 0.00 0.00 41.96 39.72 1ugi s TYR 47 CO -0.03 0.51 0.21 0.34 -1.34 0.00 0.00 175.55 175.25 1ugi s ASP 48 N -0.85 5.29 0.37 4.32 -1.08 0.51 -4.73 116.67 120.50 1ugi s ASP 48 Ca 0.31 -2.01 0.08 0.00 -0.52 0.00 0.00 52.55 50.40 1ugi s ASP 48 Cb -0.20 -1.84 0.79 0.00 -1.46 0.00 0.00 42.92 40.21 1ugi s ASP 48 CO 0.20 -0.55 1.93 -0.33 0.52 0.00 0.00 175.17 176.93 1ugi h GLU 49 N 8.08 0.68 -0.29 4.34 5.08 -1.97 0.24 114.58 130.74 1ugi h GLU 49 Ca -0.14 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1ugi h GLU 49 Cb 1.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1ugi h GLU 49 CO 0.71 0.45 0.03 0.66 -1.00 0.00 0.00 179.01 179.86 1ugi h SER 50 N 0.70 0.40 -0.01 1.42 4.64 -1.96 -2.98 113.55 115.77 1ugi h SER 50 Ca 0.35 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1ugi h SER 50 Cb 0.44 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ugi h SER 50 CO -0.13 0.44 -0.09 0.35 -0.87 0.00 0.00 176.83 176.54 1ugi n THR 51 N -4.33 0.00 -3.53 2.95 -2.24 -1.10 -4.99 114.28 101.04 1ugi n THR 51 Ca 0.01 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 1ugi n THR 51 Cb 0.20 1.10 0.08 0.00 -2.10 0.00 0.00 70.33 69.62 1ugi n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ugi n ASP 52 N -0.05 -4.52 -4.46 3.42 2.03 0.82 -4.73 116.55 109.06 1ugi n ASP 52 Ca 0.03 -0.57 -0.32 0.00 0.52 0.00 0.00 54.79 54.45 1ugi n ASP 52 Cb 0.15 -5.08 -0.13 0.00 -0.72 0.00 0.00 41.12 35.34 1ugi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ugi s GLU 53 N -5.90 2.33 -0.08 -0.67 2.02 -1.10 -3.28 118.70 112.01 1ugi s GLU 53 Ca 0.33 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 1ugi s GLU 53 Cb -0.15 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.74 1ugi s GLU 53 CO 0.73 0.59 0.35 -0.80 0.02 0.00 0.00 175.26 176.15 1ugi s ASN 54 N -0.98 6.62 -0.28 -0.19 0.01 -0.64 -0.36 114.94 119.12 1ugi s ASN 54 Ca 0.13 0.73 -0.01 0.00 -0.71 0.00 0.00 52.86 53.00 1ugi s ASN 54 Cb -0.11 -2.21 0.04 0.00 0.41 0.00 0.00 41.25 39.38 1ugi s ASN 54 CO 0.02 0.22 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.11 1ugi s VAL 55 N -0.34 2.91 -0.30 1.60 1.01 0.53 -1.05 120.40 124.76 1ugi s VAL 55 Ca 0.21 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 1ugi s VAL 55 Cb -0.15 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 1ugi s VAL 55 CO 0.09 0.02 0.12 -0.04 0.00 0.00 0.00 175.10 175.28 1ugi s MET 56 N 1.27 3.23 -0.25 2.72 -1.94 0.27 -0.48 119.30 124.12 1ugi s MET 56 Ca -0.03 -0.78 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 1ugi s MET 56 Cb -0.19 -3.48 -0.05 0.00 2.01 0.00 0.00 34.83 33.12 1ugi s MET 56 CO -0.03 -0.43 0.21 -1.17 -0.01 0.00 0.00 175.02 173.60 1ugi s LEU 57 N 1.57 4.08 -0.24 -0.03 2.96 0.11 -0.52 118.68 126.61 1ugi s LEU 57 Ca 0.04 0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.98 1ugi s LEU 57 Cb -0.17 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 1ugi s LEU 57 CO 0.05 -0.01 0.14 -0.76 -1.32 0.00 0.00 176.35 174.45 1ugi s LEU 58 N 1.39 3.95 0.37 -0.68 1.02 0.12 -0.81 118.68 124.04 1ugi s LEU 58 Ca 0.09 0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.32 1ugi s LEU 58 Cb -0.15 -2.06 -0.07 0.00 0.02 0.00 0.00 46.19 43.94 1ugi s LEU 58 CO 0.07 0.04 0.04 0.42 0.02 0.00 0.00 176.35 176.94 1ugi s THR 59 N 1.20 1.51 0.97 5.49 -4.23 -0.20 -1.02 115.64 119.36 1ugi s THR 59 Ca 0.07 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1ugi s THR 59 Cb -0.14 -2.84 0.17 0.00 1.34 0.00 0.00 72.50 71.03 1ugi s THR 59 CO 0.05 0.00 1.14 -0.94 -0.54 0.00 0.00 174.62 174.33 1ugi s SER 60 N -3.60 2.95 1.00 3.99 1.04 0.21 -0.54 113.70 118.76 1ugi s SER 60 Ca 0.34 0.90 -0.15 0.00 0.48 0.00 0.00 55.95 57.52 1ugi s SER 60 Cb 0.09 -1.40 0.19 0.00 0.10 0.00 0.00 66.02 65.00 1ugi s SER 60 CO 0.16 -2.89 1.17 -0.62 0.98 0.00 0.00 173.24 172.04 1ugi s ASP 61 N -3.98 2.68 0.53 7.02 -1.08 -1.25 -3.56 116.67 117.04 1ugi s ASP 61 Ca 0.66 0.75 -0.21 0.00 -0.52 0.00 0.00 52.55 53.22 1ugi s ASP 61 Cb -0.14 -1.13 -0.06 0.00 -1.46 0.00 0.00 42.92 40.13 1ugi s ASP 61 CO 0.54 -3.05 1.17 0.00 0.52 0.00 0.00 175.17 174.36 1ugi n ALA 62 N -4.06 0.90 0.80 3.66 0.00 -1.26 -2.05 120.51 118.50 1ugi n ALA 62 Ca 0.10 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1ugi n ALA 62 Cb 0.59 -2.23 0.22 0.00 0.00 0.00 0.00 19.45 18.04 1ugi n ALA 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ugi n PRO 63 N -0.74 2.27 -0.14 0.00 -0.04 -1.26 -4.86 135.00 130.23 1ugi n PRO 63 Ca 0.11 -1.88 -0.10 0.00 -0.04 0.00 0.00 63.50 61.59 1ugi n PRO 63 Cb 0.44 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1ugi n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ugi h GLU 64 N 4.08 0.67 -6.79 0.54 3.07 -1.83 -3.47 114.58 110.86 1ugi h GLU 64 Ca 0.00 -0.17 -0.56 0.00 -0.50 0.00 0.00 59.36 58.13 1ugi h GLU 64 Cb 0.88 -0.08 -0.21 0.00 -0.84 0.00 0.00 28.75 28.50 1ugi h GLU 64 CO 0.00 0.71 -0.86 0.66 -1.40 0.00 0.00 179.01 178.11 1ugi n TYR 65 N -4.52 -1.62 -2.50 4.33 4.01 -0.87 -4.86 117.16 111.12 1ugi n TYR 65 Ca -0.00 0.76 -0.43 0.00 -0.16 0.00 0.00 57.90 58.08 1ugi n TYR 65 Cb 0.22 -2.92 -0.02 0.00 -0.31 0.00 0.00 39.34 36.31 1ugi n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1ugi s LYS 66 N -6.95 4.32 0.26 -0.72 2.20 -1.26 -4.58 119.74 113.00 1ugi s LYS 66 Ca 0.59 1.60 -0.30 0.00 -0.36 0.00 0.00 55.97 57.49 1ugi s LYS 66 Cb -0.32 -3.63 -0.11 0.00 -1.51 0.00 0.00 37.83 32.26 1ugi s LYS 66 CO 0.94 -0.53 1.57 -2.14 -0.36 0.00 0.00 175.35 174.83 1ugi s PRO 67 N 2.68 4.17 -0.04 4.03 0.02 -1.26 -0.62 135.00 143.97 1ugi s PRO 67 Ca 0.53 2.49 -0.01 0.00 0.02 0.00 0.00 61.00 64.03 1ugi s PRO 67 Cb -0.22 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1ugi s PRO 67 CO 0.17 -0.59 -0.05 1.87 -0.33 0.00 0.00 177.00 178.07 1ugi n TRP 68 N 2.64 0.00 -3.50 6.54 -0.00 -0.19 -4.70 117.44 118.24 1ugi n TRP 68 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.50 1ugi n TRP 68 Cb 0.38 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.31 31.51 1ugi n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ugi s ALA 69 N -2.08 -1.69 -0.08 5.87 0.00 -1.03 -1.13 121.76 121.62 1ugi s ALA 69 Ca -0.06 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1ugi s ALA 69 Cb 0.02 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1ugi s ALA 69 CO 0.08 -0.76 -0.14 -1.17 0.00 0.00 0.00 175.76 173.77 1ugi s LEU 70 N -2.65 1.66 -0.18 0.00 2.96 0.11 -0.70 118.68 119.88 1ugi s LEU 70 Ca 0.04 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1ugi s LEU 70 Cb -0.01 -0.94 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 1ugi s LEU 70 CO -0.09 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.16 1ugi s VAL 71 N 0.79 2.82 -0.20 1.68 1.01 0.33 -1.17 120.40 125.66 1ugi s VAL 71 Ca -0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1ugi s VAL 71 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1ugi s VAL 71 CO 0.02 0.49 0.03 -0.63 0.00 0.00 0.00 175.10 175.01 1ugi s ILE 72 N 1.11 4.23 -0.10 2.22 1.09 0.20 -0.57 121.20 129.38 1ugi s ILE 72 Ca 0.00 -0.22 0.00 0.00 -1.10 0.00 0.00 60.65 59.34 1ugi s ILE 72 Cb -0.14 -2.92 -0.02 0.00 -1.06 0.00 0.00 42.46 38.31 1ugi s ILE 72 CO -0.04 0.42 -0.11 -1.58 -0.10 0.00 0.00 174.94 173.53 1ugi s GLN 73 N 0.95 3.09 0.58 2.79 0.74 -0.21 -0.70 119.66 126.89 1ugi s GLN 73 Ca 0.02 -0.64 0.04 0.00 0.05 0.00 0.00 55.36 54.84 1ugi s GLN 73 Cb -0.14 -2.60 0.11 0.00 1.10 0.00 0.00 33.01 31.47 1ugi s GLN 73 CO 0.02 0.40 0.79 -0.40 -0.55 0.00 0.00 175.29 175.56 1ugi n ASP 74 N 2.98 1.54 0.29 6.67 5.68 -0.40 -1.62 116.55 131.69 1ugi n ASP 74 Ca -0.18 -2.19 0.15 0.00 -0.50 0.00 0.00 54.79 52.07 1ugi n ASP 74 Cb 0.53 -0.47 0.87 0.00 -1.14 0.00 0.00 41.12 40.91 1ugi n ASP 74 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1ugi h SER 75 N -0.21 0.00 -0.01 -1.12 4.64 -1.84 0.53 113.55 115.54 1ugi h SER 75 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ugi h SER 75 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ugi h SER 75 CO 0.33 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.91 1ugi n ASN 76 N -3.77 0.83 0.00 4.97 5.03 -1.26 -4.91 115.26 116.15 1ugi n ASN 76 Ca -0.03 -1.28 0.00 0.00 0.87 0.00 0.00 54.58 54.14 1ugi n ASN 76 Cb 0.13 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 1ugi n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugi n GLY 77 N 1.10 0.75 3.78 7.41 0.00 0.18 -5.04 105.19 113.37 1ugi n GLY 77 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1ugi n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ugi s GLU 78 N -0.50 4.23 -0.02 1.61 2.02 -1.26 -4.74 118.70 120.05 1ugi s GLU 78 Ca 0.00 0.66 -0.08 0.00 0.02 0.00 0.00 54.97 55.57 1ugi s GLU 78 Cb 0.00 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 1ugi s GLU 78 CO 0.00 0.47 0.27 -0.80 0.02 0.00 0.00 175.26 175.22 1ugi s ASN 79 N -0.49 6.53 -0.22 -0.19 0.01 -1.26 -1.27 114.94 118.05 1ugi s ASN 79 Ca 0.29 0.62 0.01 0.00 -0.71 0.00 0.00 52.86 53.07 1ugi s ASN 79 Cb -0.18 -2.12 0.05 0.00 0.41 0.00 0.00 41.25 39.41 1ugi s ASN 79 CO 0.16 0.29 -0.07 -0.75 -1.51 0.00 0.00 177.10 175.23 1ugi s LYS 80 N -1.50 1.78 -0.02 -0.60 2.20 0.12 -4.98 119.74 116.75 1ugi s LYS 80 Ca 0.24 -0.92 -0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1ugi s LYS 80 Cb -0.14 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1ugi s LYS 80 CO 0.13 -0.53 0.15 0.42 -0.36 0.00 0.00 175.35 175.17 1ugi s ILE 81 N 1.40 5.26 -0.13 5.43 1.09 -1.26 -0.62 121.20 132.36 1ugi s ILE 81 Ca -0.04 -0.18 -0.08 0.00 -1.10 0.00 0.00 60.65 59.25 1ugi s ILE 81 Cb -0.18 -3.42 0.05 0.00 -1.06 0.00 0.00 42.46 37.85 1ugi s ILE 81 CO -0.07 0.37 0.32 -0.75 -0.10 0.00 0.00 174.94 174.71 1ugi s LYS 82 N -1.78 0.31 0.31 2.79 2.36 -0.32 -4.99 119.74 118.43 1ugi s LYS 82 Ca 0.25 0.61 -0.27 0.00 -2.55 0.00 0.00 55.97 54.01 1ugi s LYS 82 Cb -0.12 -0.02 -0.10 0.00 -1.05 0.00 0.00 37.83 36.54 1ugi s LYS 82 CO 0.16 -0.14 0.95 -1.64 1.55 0.00 0.00 175.35 176.23 1ugi s MET 83 N 1.09 4.62 0.00 4.03 -1.94 -1.26 0.07 119.30 125.91 1ugi s MET 83 Ca -0.07 1.37 0.12 0.00 -1.71 0.00 0.00 55.69 55.40 1ugi s MET 83 Cb -0.08 -2.89 0.10 0.00 2.01 0.00 0.00 34.83 33.97 1ugi s MET 83 CO -0.08 0.31 0.89 1.28 -0.01 0.00 0.00 175.02 177.41