#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugi h LEU 4 N 0.00 0.72 -0.30 -4.53 3.38 -2.00 -0.76 115.31 111.82 1ugi h LEU 4 Ca 0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ugi h LEU 4 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ugi h LEU 4 CO 0.00 0.42 0.05 -1.28 0.09 0.00 0.00 178.44 177.72 1ugi h SER 5 N 0.84 0.48 -0.64 -0.43 0.87 -1.99 -2.51 113.55 110.16 1ugi h SER 5 Ca 0.40 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1ugi h SER 5 Cb 0.33 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1ugi h SER 5 CO -0.23 0.61 0.11 0.44 -0.53 0.00 0.00 176.83 177.23 1ugi h ASP 6 N 0.32 1.02 -0.69 6.23 3.32 -1.78 0.12 116.42 124.96 1ugi h ASP 6 Ca 0.09 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ugi h ASP 6 Cb 0.34 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1ugi h ASP 6 CO 0.01 1.01 0.43 0.40 -1.72 0.00 0.00 179.24 179.36 1ugi h ILE 7 N 1.01 1.20 0.00 0.35 2.04 -1.09 0.86 117.51 121.86 1ugi h ILE 7 Ca 0.20 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1ugi h ILE 7 Cb 0.42 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1ugi h ILE 7 CO 0.01 0.20 -0.37 0.40 0.00 0.00 0.00 178.15 178.39 1ugi h ILE 8 N 0.94 0.74 0.07 -0.67 2.04 -0.96 -2.78 117.51 116.89 1ugi h ILE 8 Ca 0.25 -1.71 -0.26 0.00 1.00 0.00 0.00 64.86 64.13 1ugi h ILE 8 Cb -0.04 2.12 0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1ugi h ILE 8 CO -0.05 0.37 -1.12 -0.08 0.00 0.00 0.00 178.15 177.26 1ugi h GLU 9 N 0.00 0.46 -0.74 2.37 4.81 -0.47 -0.55 114.58 120.47 1ugi h GLU 9 Ca -0.00 -0.60 0.13 0.00 -0.13 0.00 0.00 59.36 58.76 1ugi h GLU 9 Cb 1.09 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 1ugi h GLU 9 CO 0.05 1.24 0.49 -0.22 -0.73 0.00 0.00 179.01 179.84 1ugi h LYS 10 N 0.22 0.46 0.02 1.92 3.64 -0.83 0.22 116.57 122.21 1ugi h LYS 10 Ca -0.13 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 58.90 1ugi h LYS 10 Cb 1.79 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 33.46 1ugi h LYS 10 CO 0.20 0.30 -1.91 0.39 -2.27 0.00 0.00 179.45 176.17 1ugi n GLU 11 N -4.49 0.66 0.02 1.90 -0.58 -1.05 -4.29 120.64 112.81 1ugi n GLU 11 Ca 0.14 0.23 0.11 0.00 -0.42 0.00 0.00 57.16 57.21 1ugi n GLU 11 Cb 0.47 -1.72 -0.07 0.00 -0.57 0.00 0.00 31.44 29.55 1ugi n GLU 11 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ugi n THR 12 N -3.05 0.12 -0.91 2.62 -2.24 -0.24 -4.95 114.28 105.63 1ugi n THR 12 Ca -0.23 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1ugi n THR 12 Cb 1.07 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.34 0.52 3.24 3.38 0.00 0.78 -5.00 105.19 109.45 1ugi n GLY 13 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.48 1.33 -0.77 1.61 -0.14 -1.24 -5.03 119.74 115.02 1ugi s LYS 14 Ca 0.00 -0.93 -0.26 0.00 -1.36 0.00 0.00 55.97 53.42 1ugi s LYS 14 Cb 0.00 -1.44 0.01 0.00 -1.68 0.00 0.00 37.83 34.72 1ugi s LYS 14 CO 0.00 0.37 1.51 -1.14 -0.76 0.00 0.00 175.35 175.32 1ugi s GLN 15 N -1.21 3.06 0.24 1.68 0.74 -1.26 -3.74 119.66 119.18 1ugi s GLN 15 Ca 0.07 -0.18 0.08 0.00 0.05 0.00 0.00 55.36 55.38 1ugi s GLN 15 Cb -0.09 -4.50 -0.04 0.00 1.10 0.00 0.00 33.01 29.48 1ugi s GLN 15 CO 0.02 -2.41 0.06 -0.51 -0.55 0.00 0.00 175.29 171.90 1ugi s LEU 16 N 6.80 3.43 -0.11 3.68 1.43 -1.26 -5.09 118.68 127.56 1ugi s LEU 16 Ca 0.48 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1ugi s LEU 16 Cb -0.08 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ugi s LEU 16 CO 0.11 0.01 1.15 -0.69 0.23 0.00 0.00 176.35 177.16 1ugi s VAL 17 N -2.14 4.43 -0.27 -1.59 1.01 -1.26 -5.00 120.40 115.57 1ugi s VAL 17 Ca 0.31 1.73 -0.12 0.00 0.00 0.00 0.00 61.98 63.90 1ugi s VAL 17 Cb -0.07 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1ugi s VAL 17 CO 0.21 -0.05 0.23 -0.63 0.00 0.00 0.00 175.10 174.86 1ugi s ILE 18 N 2.59 5.28 0.74 2.22 1.01 -1.26 -4.29 121.20 127.49 1ugi s ILE 18 Ca 0.52 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 61.33 1ugi s ILE 18 Cb -0.21 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1ugi s ILE 18 CO 0.17 0.23 1.10 -1.10 0.00 0.00 0.00 174.94 175.34 1ugi s GLN 19 N 1.80 2.57 0.29 2.79 -1.52 0.63 -4.96 119.66 121.26 1ugi s GLN 19 Ca 0.09 0.53 -0.30 0.00 -1.95 0.00 0.00 55.36 53.74 1ugi s GLN 19 Cb -0.16 -1.98 -0.13 0.00 -0.22 0.00 0.00 33.01 30.52 1ugi s GLN 19 CO 0.10 -1.25 1.41 0.39 -0.25 0.00 0.00 175.29 175.69 1ugi n GLU 20 N -3.17 2.24 -1.91 2.91 -0.58 -1.26 -4.32 120.64 114.54 1ugi n GLU 20 Ca 0.07 0.79 -0.33 0.00 -0.42 0.00 0.00 57.16 57.27 1ugi n GLU 20 Cb 0.57 -2.45 0.03 0.00 -0.57 0.00 0.00 31.44 29.01 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 0.11 5.49 -0.07 1.62 1.04 -1.26 -4.79 113.70 115.85 1ugi s SER 21 Ca 0.62 1.88 0.04 0.00 0.48 0.00 0.00 55.95 58.98 1ugi s SER 21 Cb -0.58 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.00 1ugi s SER 21 CO 0.54 -1.37 -0.21 -0.63 0.98 0.00 0.00 173.24 172.56 1ugi s ILE 22 N -2.43 1.77 0.11 -1.02 1.01 -0.88 -4.92 121.20 114.85 1ugi s ILE 22 Ca 0.65 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 1ugi s ILE 22 Cb -0.18 -1.52 -0.07 0.00 0.01 0.00 0.00 42.46 40.70 1ugi s ILE 22 CO 0.39 0.50 0.75 -0.22 0.00 0.00 0.00 174.94 176.36 1ugi s LEU 23 N 0.16 4.53 0.13 2.97 1.98 -1.26 -0.77 118.68 126.42 1ugi s LEU 23 Ca -0.10 1.54 0.08 0.00 -2.89 0.00 0.00 54.13 52.76 1ugi s LEU 23 Cb -0.15 -3.23 -0.04 0.00 0.66 0.00 0.00 46.19 43.43 1ugi s LEU 23 CO 0.05 0.14 -0.20 -0.04 -1.89 0.00 0.00 176.35 174.41 1ugi s MET 24 N -0.72 1.20 0.46 1.98 -1.94 0.69 -4.98 119.30 115.99 1ugi s MET 24 Ca 0.36 -1.28 -0.11 0.00 -1.71 0.00 0.00 55.69 52.95 1ugi s MET 24 Cb -0.22 -1.39 -0.06 0.00 2.01 0.00 0.00 34.83 35.17 1ugi s MET 24 CO 0.24 0.31 0.85 -0.51 -0.01 0.00 0.00 175.02 175.90 1ugi s LEU 25 N -2.24 3.70 0.27 -0.03 1.43 -1.26 -1.67 118.68 118.88 1ugi s LEU 25 Ca 0.11 1.24 -0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1ugi s LEU 25 Cb -0.08 -4.16 0.56 0.00 0.03 0.00 0.00 46.19 42.54 1ugi s LEU 25 CO 0.05 -0.51 1.76 -0.65 0.23 0.00 0.00 176.35 177.24 1ugi h PRO 26 N 0.91 0.61 0.00 1.29 0.11 -1.87 0.97 132.00 134.02 1ugi h PRO 26 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ugi h PRO 26 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ugi h PRO 26 CO 0.63 0.40 0.00 0.39 -0.21 0.00 0.00 178.00 179.21 1ugi n GLU 27 N -4.87 0.23 0.09 1.05 4.71 -1.26 -2.02 120.64 118.56 1ugi n GLU 27 Ca 0.18 0.32 0.13 0.00 -0.01 0.00 0.00 57.16 57.78 1ugi n GLU 27 Cb 0.46 -1.84 0.38 0.00 -1.01 0.00 0.00 31.44 29.42 1ugi n GLU 27 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ugi n GLU 28 N -2.26 0.24 -0.00 3.49 1.02 0.33 -3.89 120.64 119.57 1ugi n GLU 28 Ca 0.04 0.17 0.03 0.00 -0.02 0.00 0.00 57.16 57.37 1ugi n GLU 28 Cb 0.33 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1ugi n GLU 28 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ugi n VAL 29 N -2.15 0.00 -0.33 2.62 0.24 -1.00 -4.71 118.33 112.99 1ugi n VAL 29 Ca 0.05 -0.31 0.15 0.00 -2.04 0.00 0.00 64.34 62.19 1ugi n VAL 29 Cb 0.42 0.85 0.37 0.00 -1.47 0.00 0.00 33.84 34.01 1ugi n VAL 29 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1ugi h GLU 30 N 0.00 0.65 0.12 7.34 4.81 -1.52 -1.93 114.58 124.05 1ugi h GLU 30 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1ugi h GLU 30 Cb 0.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1ugi h GLU 30 CO 0.00 0.43 -0.06 1.49 -0.73 0.00 0.00 179.01 180.14 1ugi h GLU 31 N 0.67 -0.16 -0.78 1.92 4.57 -1.84 0.31 114.58 119.27 1ugi h GLU 31 Ca 0.57 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.85 1ugi h GLU 31 Cb 1.01 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.56 1ugi h GLU 31 CO -0.35 0.33 0.43 -0.39 -1.18 0.00 0.00 179.01 177.84 1ugi h VAL 32 N -0.82 0.89 0.15 0.32 -1.51 -1.86 -3.05 116.25 110.37 1ugi h VAL 32 Ca -0.02 -0.25 -0.29 0.00 -1.23 0.00 0.00 66.70 64.91 1ugi h VAL 32 Cb 0.55 0.11 0.01 0.00 -2.13 0.00 0.00 31.29 29.83 1ugi h VAL 32 CO 0.03 0.13 -1.33 0.40 -1.23 0.00 0.00 177.57 175.57 1ugi h ILE 33 N 0.72 1.41 0.00 7.19 1.08 -1.36 -3.48 117.51 123.08 1ugi h ILE 33 Ca 0.38 -2.96 0.00 0.00 -0.39 0.00 0.00 64.86 61.89 1ugi h ILE 33 Cb 0.36 2.95 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 1ugi h ILE 33 CO -0.25 0.87 0.00 0.61 -0.69 0.00 0.00 178.15 178.69 1ugi n GLY 34 N 1.59 0.74 3.30 5.37 0.00 0.09 -5.00 105.19 111.29 1ugi n GLY 34 Ca -0.11 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 -0.28 -0.20 1.61 0.01 -1.20 -5.05 114.94 107.83 1ugi s ASN 35 Ca 0.00 0.17 -0.05 0.00 -0.71 0.00 0.00 52.86 52.27 1ugi s ASN 35 Cb 0.00 0.37 -0.02 0.00 0.41 0.00 0.00 41.25 42.01 1ugi s ASN 35 CO 0.00 -0.52 -0.01 -0.75 -1.51 0.00 0.00 177.10 174.31 1ugi s LYS 36 N -1.55 3.57 0.68 -0.60 2.20 -1.26 -4.07 119.74 118.71 1ugi s LYS 36 Ca -0.11 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 54.84 1ugi s LYS 36 Cb -0.03 -3.05 -0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1ugi s LYS 36 CO 0.04 -0.02 1.06 -1.25 -0.36 0.00 0.00 175.35 174.82 1ugi s PRO 37 N 1.06 3.07 0.43 4.03 0.04 -1.26 -4.95 135.00 137.42 1ugi s PRO 37 Ca 0.02 0.82 0.24 0.00 0.04 0.00 0.00 61.00 62.12 1ugi s PRO 37 Cb -0.14 -2.02 0.62 0.00 0.04 0.00 0.00 34.50 33.00 1ugi s PRO 37 CO 0.01 -0.97 1.70 1.49 0.04 0.00 0.00 177.00 179.27 1ugi h GLU 38 N -0.62 0.00 -4.06 4.56 4.81 -1.99 -3.45 114.58 113.83 1ugi h GLU 38 Ca -0.44 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.55 1ugi h GLU 38 Cb 1.21 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 1ugi h GLU 38 CO 0.59 0.14 -0.19 -1.54 -0.73 0.00 0.00 179.01 177.29 1ugi s SER 39 N -6.15 0.75 0.71 1.04 1.04 -1.26 -5.03 113.70 104.80 1ugi s SER 39 Ca 0.04 -1.41 -0.16 0.00 0.48 0.00 0.00 55.95 54.90 1ugi s SER 39 Cb 0.07 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 1ugi s SER 39 CO 0.65 -1.27 0.43 0.47 0.98 0.00 0.00 173.24 174.51 1ugi n ASP 40 N -1.24 -1.54 -4.23 7.02 8.00 -1.26 -4.42 116.55 118.87 1ugi n ASP 40 Ca 0.00 0.58 -0.19 0.00 0.71 0.00 0.00 54.79 55.90 1ugi n ASP 40 Cb 0.62 -1.17 -0.11 0.00 -0.02 0.00 0.00 41.12 40.43 1ugi n ASP 40 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1ugi s ILE 41 N -1.92 1.33 -0.15 0.53 -5.25 -0.67 -3.25 121.20 111.82 1ugi s ILE 41 Ca 0.64 -1.63 -0.06 0.00 -0.99 0.00 0.00 60.65 58.60 1ugi s ILE 41 Cb -0.36 -1.46 -0.04 0.00 2.95 0.00 0.00 42.46 43.56 1ugi s ILE 41 CO 0.59 -0.35 0.06 -0.76 -1.79 0.00 0.00 174.94 172.69 1ugi s LEU 42 N -2.29 3.84 -0.27 0.37 1.43 0.53 -0.23 118.68 122.07 1ugi s LEU 42 Ca 0.07 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1ugi s LEU 42 Cb -0.06 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1ugi s LEU 42 CO 0.03 0.25 0.15 -0.69 0.23 0.00 0.00 176.35 176.32 1ugi s VAL 43 N -0.08 4.97 -0.33 -1.59 1.01 0.05 -1.65 120.40 122.78 1ugi s VAL 43 Ca 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ugi s VAL 43 Cb -0.12 -3.35 0.06 0.00 0.00 0.00 0.00 36.38 32.96 1ugi s VAL 43 CO 0.01 0.28 0.07 -1.00 0.00 0.00 0.00 175.10 174.46 1ugi s HIS 44 N 1.69 3.31 0.03 5.22 0.09 0.55 -2.07 115.29 124.11 1ugi s HIS 44 Ca 0.07 -1.81 0.01 0.00 -0.00 0.00 0.00 55.06 53.33 1ugi s HIS 44 Cb -0.16 -2.34 -0.04 0.00 -0.00 0.00 0.00 32.58 30.04 1ugi s HIS 44 CO 0.08 -0.81 0.09 0.99 -0.00 0.00 0.00 174.74 175.10 1ugi s THR 45 N 1.29 4.73 0.02 1.30 2.01 -1.26 -0.39 115.64 123.34 1ugi s THR 45 Ca -0.02 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1ugi s THR 45 Cb -0.20 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1ugi s THR 45 CO -0.00 0.24 -0.04 0.00 -0.69 0.00 0.00 174.62 174.13 1ugi s ALA 46 N -1.30 0.21 -0.10 7.40 0.00 -0.26 -0.27 121.76 127.44 1ugi s ALA 46 Ca 0.27 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1ugi s ALA 46 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1ugi s ALA 46 CO 0.18 -0.14 -0.16 -0.47 0.00 0.00 0.00 175.76 175.17 1ugi s TYR 47 N -1.52 2.72 -0.51 0.00 5.04 -1.26 -0.34 117.35 121.48 1ugi s TYR 47 Ca -0.14 -0.56 -0.11 0.00 -2.44 0.00 0.00 57.07 53.81 1ugi s TYR 47 Cb -0.09 -1.75 0.13 0.00 0.35 0.00 0.00 41.96 40.59 1ugi s TYR 47 CO -0.01 -0.13 0.41 0.34 -1.34 0.00 0.00 175.55 174.82 1ugi s ASP 48 N 0.01 5.89 0.42 4.32 -1.08 0.28 -4.80 116.67 121.72 1ugi s ASP 48 Ca -0.05 -1.92 0.21 0.00 -0.52 0.00 0.00 52.55 50.27 1ugi s ASP 48 Cb -0.14 -2.08 0.92 0.00 -1.46 0.00 0.00 42.92 40.16 1ugi s ASP 48 CO 0.04 -0.74 1.85 1.05 0.52 0.00 0.00 175.17 177.89 1ugi h GLU 49 N 8.55 0.00 -0.97 4.34 4.11 -1.96 0.31 114.58 128.95 1ugi h GLU 49 Ca -0.23 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.30 1ugi h GLU 49 Cb 1.08 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1ugi h GLU 49 CO 0.91 0.28 0.61 0.66 0.07 0.00 0.00 179.01 181.54 1ugi h SER 50 N 0.00 0.92 -0.05 3.06 4.64 -1.96 -2.86 113.55 117.30 1ugi h SER 50 Ca -0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1ugi h SER 50 Cb 0.70 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ugi h SER 50 CO 0.04 0.53 0.00 0.35 -0.87 0.00 0.00 176.83 176.88 1ugi n THR 51 N -4.60 0.12 -3.72 2.95 -2.24 -1.10 -5.00 114.28 100.69 1ugi n THR 51 Ca 0.17 -0.56 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 1ugi n THR 51 Cb 0.28 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.53 -4.57 -4.37 3.42 2.03 0.10 -4.81 116.55 108.88 1ugi n ASP 52 Ca 0.06 -0.68 -0.32 0.00 0.52 0.00 0.00 54.79 54.37 1ugi n ASP 52 Cb 0.27 -4.47 -0.15 0.00 -0.72 0.00 0.00 41.12 36.05 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 -6.28 2.48 -0.04 -0.67 2.02 -0.89 -3.57 118.70 111.74 1ugi s GLU 53 Ca 0.47 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.52 1ugi s GLU 53 Cb -0.22 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 1ugi s GLU 53 CO 0.78 0.52 0.36 -0.80 0.02 0.00 0.00 175.26 176.14 1ugi s ASN 54 N -0.47 6.70 -0.11 -0.19 0.01 -0.51 -0.55 114.94 119.82 1ugi s ASN 54 Ca 0.06 0.83 0.04 0.00 -0.71 0.00 0.00 52.86 53.07 1ugi s ASN 54 Cb -0.12 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1ugi s ASN 54 CO 0.01 0.29 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.97 1ugi s VAL 55 N -0.77 2.11 -0.20 1.60 1.01 0.54 -0.37 120.40 124.33 1ugi s VAL 55 Ca 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ugi s VAL 55 Cb -0.15 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1ugi s VAL 55 CO 0.11 0.56 -0.07 -0.04 0.00 0.00 0.00 175.10 175.66 1ugi s MET 56 N 0.41 1.67 -0.21 2.72 -1.94 0.17 -1.10 119.30 121.02 1ugi s MET 56 Ca -0.17 -0.76 -0.13 0.00 -1.71 0.00 0.00 55.69 52.92 1ugi s MET 56 Cb -0.18 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 1ugi s MET 56 CO 0.07 -0.49 0.28 -1.17 -0.01 0.00 0.00 175.02 173.71 1ugi s LEU 57 N 1.49 4.16 -0.19 -0.03 2.96 0.48 -0.42 118.68 127.13 1ugi s LEU 57 Ca -0.02 0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1ugi s LEU 57 Cb -0.17 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1ugi s LEU 57 CO -0.07 0.02 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.21 1ugi s LEU 58 N 1.02 3.28 0.32 -0.68 1.02 0.10 -0.33 118.68 123.42 1ugi s LEU 58 Ca 0.14 -0.18 0.09 0.00 0.02 0.00 0.00 54.13 54.20 1ugi s LEU 58 Cb -0.14 -1.83 -0.06 0.00 0.02 0.00 0.00 46.19 44.18 1ugi s LEU 58 CO 0.05 0.09 -0.09 0.42 0.02 0.00 0.00 176.35 176.84 1ugi s THR 59 N 0.87 2.09 1.01 5.49 -4.23 -0.66 -0.35 115.64 119.86 1ugi s THR 59 Ca 0.01 -2.20 -0.13 0.00 -1.18 0.00 0.00 61.69 58.19 1ugi s THR 59 Cb -0.14 -2.57 0.19 0.00 1.34 0.00 0.00 72.50 71.32 1ugi s THR 59 CO 0.02 -0.24 1.10 -0.94 -0.54 0.00 0.00 174.62 174.02 1ugi s SER 60 N -3.56 2.58 0.95 3.99 1.04 -0.30 -0.35 113.70 118.05 1ugi s SER 60 Ca 0.31 1.09 -0.12 0.00 0.48 0.00 0.00 55.95 57.72 1ugi s SER 60 Cb 0.02 -1.72 0.16 0.00 0.10 0.00 0.00 66.02 64.58 1ugi s SER 60 CO 0.15 -3.15 1.09 -0.62 0.98 0.00 0.00 173.24 171.69 1ugi s ASP 61 N -3.58 2.97 0.37 7.02 2.15 -1.20 -3.28 116.67 121.12 1ugi s ASP 61 Ca 0.66 1.52 -0.27 0.00 0.43 0.00 0.00 52.55 54.89 1ugi s ASP 61 Cb -0.18 -2.19 -0.11 0.00 -0.30 0.00 0.00 42.92 40.14 1ugi s ASP 61 CO 0.57 -2.96 1.26 0.00 -0.17 0.00 0.00 175.17 173.87 1ugi n ALA 62 N -4.10 1.22 0.40 3.66 0.00 -1.26 -1.59 120.51 118.83 1ugi n ALA 62 Ca 0.07 0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.93 1ugi n ALA 62 Cb 0.55 -2.25 0.27 0.00 0.00 0.00 0.00 19.45 18.02 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 0.35 2.28 0.01 0.00 -0.04 -1.26 -4.89 135.00 131.46 1ugi n PRO 63 Ca 0.06 -1.97 -0.22 0.00 -0.04 0.00 0.00 63.50 61.33 1ugi n PRO 63 Cb 0.37 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1ugi n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ugi h GLU 64 N 3.51 0.27 -6.61 0.54 4.81 -1.61 -3.48 114.58 112.02 1ugi h GLU 64 Ca 0.00 -0.46 -0.53 0.00 -0.13 0.00 0.00 59.36 58.24 1ugi h GLU 64 Cb 0.79 0.17 -0.14 0.00 0.63 0.00 0.00 28.75 30.20 1ugi h GLU 64 CO 0.00 1.22 -0.84 0.66 -0.73 0.00 0.00 179.01 179.33 1ugi n TYR 65 N -3.61 -1.81 -2.60 0.92 4.01 -0.68 -4.92 117.16 108.48 1ugi n TYR 65 Ca -0.30 0.80 -0.42 0.00 -0.16 0.00 0.00 57.90 57.82 1ugi n TYR 65 Cb 1.02 -3.33 -0.03 0.00 -0.31 0.00 0.00 39.34 36.68 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 -6.78 4.51 0.28 -0.72 2.20 -1.26 -4.63 119.74 113.33 1ugi s LYS 66 Ca 0.52 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 57.39 1ugi s LYS 66 Cb -0.28 -3.42 -0.11 0.00 -1.51 0.00 0.00 37.83 32.50 1ugi s LYS 66 CO 0.90 -0.14 1.61 -2.14 -0.36 0.00 0.00 175.35 175.22 1ugi s PRO 67 N 1.07 4.13 0.00 4.03 0.02 -1.26 -1.15 135.00 141.83 1ugi s PRO 67 Ca 0.55 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1ugi s PRO 67 Cb -0.24 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1ugi s PRO 67 CO 0.28 -0.65 0.00 1.87 -0.33 0.00 0.00 177.00 178.17 1ugi n TRP 68 N 2.47 0.00 -3.53 6.54 -0.00 0.52 -4.71 117.44 118.74 1ugi n TRP 68 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.48 1ugi n TRP 68 Cb 0.37 0.03 -0.03 0.00 -0.00 0.00 0.00 31.31 31.68 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 -1.98 -1.28 -0.07 5.87 0.00 -0.79 -0.92 121.76 122.60 1ugi s ALA 69 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1ugi s ALA 69 Cb 0.00 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1ugi s ALA 69 CO 0.00 -0.72 -0.16 -1.17 0.00 0.00 0.00 175.76 173.71 1ugi s LEU 70 N -2.78 1.82 -0.10 0.00 2.96 0.95 0.02 118.68 121.55 1ugi s LEU 70 Ca 0.02 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1ugi s LEU 70 Cb 0.00 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 1ugi s LEU 70 CO -0.12 0.09 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.16 1ugi s VAL 71 N 0.44 2.87 -0.16 1.68 1.01 0.44 -0.96 120.40 125.73 1ugi s VAL 71 Ca -0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1ugi s VAL 71 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1ugi s VAL 71 CO 0.05 0.55 -0.08 -0.63 0.00 0.00 0.00 175.10 174.98 1ugi s ILE 72 N 0.04 3.37 -0.13 2.22 1.09 -0.56 0.44 121.20 127.68 1ugi s ILE 72 Ca -0.06 -0.53 0.01 0.00 -1.10 0.00 0.00 60.65 58.97 1ugi s ILE 72 Cb -0.15 -2.46 -0.01 0.00 -1.06 0.00 0.00 42.46 38.78 1ugi s ILE 72 CO 0.05 0.49 -0.17 -1.58 -0.10 0.00 0.00 174.94 173.63 1ugi s GLN 73 N 0.60 3.24 0.28 2.79 0.74 0.50 -1.07 119.66 126.74 1ugi s GLN 73 Ca -0.05 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 54.59 1ugi s GLN 73 Cb -0.15 -2.52 0.06 0.00 1.10 0.00 0.00 33.01 31.50 1ugi s GLN 73 CO 0.03 0.16 0.38 -0.40 -0.55 0.00 0.00 175.29 174.91 1ugi n ASP 74 N 3.63 0.44 0.29 6.67 5.68 0.03 -1.42 116.55 131.88 1ugi n ASP 74 Ca -0.19 -1.39 0.19 0.00 -0.50 0.00 0.00 54.79 52.90 1ugi n ASP 74 Cb 0.53 -0.25 0.82 0.00 -1.14 0.00 0.00 41.12 41.08 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 -0.26 0.00 -0.13 -1.12 4.64 -1.87 -1.35 113.55 113.45 1ugi h SER 75 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1ugi h SER 75 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1ugi h SER 75 CO 0.13 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.68 1ugi n ASN 76 N -3.08 1.13 0.00 4.97 5.03 -1.26 -4.89 115.26 117.16 1ugi n ASN 76 Ca -0.00 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.77 1ugi n ASN 76 Cb 0.25 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 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 0.99 0.48 3.84 7.41 0.00 -0.51 -5.05 105.19 112.37 1ugi n GLY 77 Ca 0.14 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.74 3.88 -0.06 1.61 2.02 -1.25 -4.76 118.70 119.40 1ugi s GLU 78 Ca 0.00 0.36 -0.04 0.00 0.02 0.00 0.00 54.97 55.32 1ugi s GLU 78 Cb 0.00 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1ugi s GLU 78 CO 0.00 0.68 0.11 -0.80 0.02 0.00 0.00 175.26 175.27 1ugi s ASN 79 N -1.17 6.03 -0.13 -0.19 0.01 -1.26 -0.79 114.94 117.44 1ugi s ASN 79 Ca 0.25 0.31 0.01 0.00 -0.71 0.00 0.00 52.86 52.72 1ugi s ASN 79 Cb -0.16 -1.85 0.02 0.00 0.41 0.00 0.00 41.25 39.66 1ugi s ASN 79 CO 0.14 0.33 -0.16 -0.75 -1.51 0.00 0.00 177.10 175.15 1ugi s LYS 80 N -1.41 2.39 -0.11 -0.60 2.20 -0.23 -4.99 119.74 116.99 1ugi s LYS 80 Ca 0.20 -0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 1ugi s LYS 80 Cb -0.12 -2.08 -0.03 0.00 -1.51 0.00 0.00 37.83 34.10 1ugi s LYS 80 CO 0.10 -0.13 -0.07 0.42 -0.36 0.00 0.00 175.35 175.30 1ugi s ILE 81 N 1.18 3.60 -0.07 5.43 -1.09 -1.26 -1.50 121.20 127.49 1ugi s ILE 81 Ca -0.01 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1ugi s ILE 81 Cb -0.14 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.25 1ugi s ILE 81 CO -0.06 0.54 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.40 1ugi s LYS 82 N -0.13 1.04 0.14 2.79 2.20 -0.13 -5.00 119.74 120.65 1ugi s LYS 82 Ca 0.01 -0.12 -0.24 0.00 -0.36 0.00 0.00 55.97 55.26 1ugi s LYS 82 Cb -0.13 -1.11 -0.08 0.00 -1.51 0.00 0.00 37.83 35.00 1ugi s LYS 82 CO 0.03 -0.16 0.72 -1.64 -0.36 0.00 0.00 175.35 173.94 1ugi s MET 83 N 1.32 4.46 0.00 4.03 -1.94 -1.26 -0.03 119.30 125.88 1ugi s MET 83 Ca -0.04 1.04 0.14 0.00 -1.71 0.00 0.00 55.69 55.12 1ugi s MET 83 Cb -0.14 -3.24 0.11 0.00 2.01 0.00 0.00 34.83 33.57 1ugi s MET 83 CO -0.03 0.58 0.93 1.28 -0.01 0.00 0.00 175.02 177.78