#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 -1.05 -0.39 3.42 -0.73 -2.05 0.88 115.58 115.66 1ugi h ASN 3 Ca 0.00 0.20 -0.12 0.00 1.87 0.00 0.00 56.30 58.25 1ugi h ASN 3 Cb 0.00 0.51 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 1ugi h ASN 3 CO 0.00 -0.31 -0.21 -0.07 -0.37 0.00 0.00 177.43 176.47 1ugi h LEU 4 N -0.22 0.85 -1.18 0.34 4.07 -1.99 -0.48 115.31 116.70 1ugi h LEU 4 Ca 0.19 -0.41 -0.06 0.00 0.08 0.00 0.00 57.88 57.67 1ugi h LEU 4 Cb 0.53 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1ugi h LEU 4 CO -0.56 1.08 -0.12 -1.28 -1.08 0.00 0.00 178.44 176.48 1ugi h SER 5 N 0.63 0.41 -0.54 -0.43 0.87 -1.78 -1.87 113.55 110.84 1ugi h SER 5 Ca 0.08 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1ugi h SER 5 Cb 0.77 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1ugi h SER 5 CO 0.06 0.57 0.16 0.44 -0.53 0.00 0.00 176.83 177.53 1ugi h ASP 6 N 0.40 0.82 -0.52 6.23 3.32 0.12 0.12 116.42 126.92 1ugi h ASP 6 Ca 0.08 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 1ugi h ASP 6 Cb 0.45 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1ugi h ASP 6 CO 0.03 0.79 -0.07 0.40 -1.72 0.00 0.00 179.24 178.67 1ugi h ILE 7 N 0.86 1.27 -0.84 0.35 2.04 -0.47 0.25 117.51 120.96 1ugi h ILE 7 Ca 0.19 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1ugi h ILE 7 Cb 0.28 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1ugi h ILE 7 CO -0.01 0.42 0.38 0.40 0.00 0.00 0.00 178.15 179.35 1ugi h ILE 8 N 0.83 1.26 -0.05 -0.67 2.04 -0.94 -1.10 117.51 118.88 1ugi h ILE 8 Ca 0.14 -0.76 -0.14 0.00 1.00 0.00 0.00 64.86 65.10 1ugi h ILE 8 Cb 0.62 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1ugi h ILE 8 CO 0.04 0.32 -0.59 -0.08 0.00 0.00 0.00 178.15 177.84 1ugi h GLU 9 N 1.20 0.16 -0.66 2.37 4.81 -0.39 0.30 114.58 122.38 1ugi h GLU 9 Ca 0.28 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1ugi h GLU 9 Cb 0.15 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1ugi h GLU 9 CO -0.03 0.70 0.32 -0.22 -0.73 0.00 0.00 179.01 179.05 1ugi h LYS 10 N 0.12 0.94 0.00 1.92 3.64 0.12 0.28 116.57 123.60 1ugi h LYS 10 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1ugi h LYS 10 Cb 1.07 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1ugi h LYS 10 CO 0.09 0.74 -0.60 0.93 -2.27 0.00 0.00 179.45 178.34 1ugi h GLU 11 N 0.91 0.00 0.00 1.90 4.39 -0.73 -3.38 114.58 117.67 1ugi h GLU 11 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1ugi h GLU 11 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1ugi h GLU 11 CO -0.03 0.00 -0.92 0.25 -1.16 0.00 0.00 179.01 177.15 1ugi n THR 12 N -2.74 0.00 -1.05 1.13 -2.24 0.10 -5.01 114.28 104.47 1ugi n THR 12 Ca 0.02 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1ugi n THR 12 Cb 0.53 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 2.37 0.54 3.17 3.38 0.00 0.98 -5.03 105.19 110.60 1ugi n GLY 13 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.41 0.93 -0.41 1.61 1.02 -1.25 -5.03 119.74 115.20 1ugi s LYS 14 Ca 0.00 -0.87 -0.18 0.00 0.02 0.00 0.00 55.97 54.93 1ugi s LYS 14 Cb 0.00 -0.97 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1ugi s LYS 14 CO 0.00 0.23 0.49 -0.65 -0.92 0.00 0.00 175.35 174.51 1ugi s GLN 15 N -1.42 3.24 0.18 1.68 1.11 -1.26 -3.74 119.66 119.44 1ugi s GLN 15 Ca 0.01 -0.57 0.08 0.00 0.01 0.00 0.00 55.36 54.89 1ugi s GLN 15 Cb -0.09 -3.93 -0.04 0.00 -1.01 0.00 0.00 33.01 27.93 1ugi s GLN 15 CO 0.02 -0.85 -0.15 -0.51 0.01 0.00 0.00 175.29 173.81 1ugi s LEU 16 N 2.34 2.50 -0.20 2.90 1.43 -1.26 -5.11 118.68 121.27 1ugi s LEU 16 Ca 0.16 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 52.03 1ugi s LEU 16 Cb -0.16 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1ugi s LEU 16 CO 0.15 -0.13 1.00 -0.69 0.23 0.00 0.00 176.35 176.91 1ugi s VAL 17 N -2.58 4.72 -0.19 -1.59 1.01 -1.26 -4.96 120.40 115.56 1ugi s VAL 17 Ca 0.18 1.97 -0.19 0.00 0.00 0.00 0.00 61.98 63.95 1ugi s VAL 17 Cb -0.03 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1ugi s VAL 17 CO 0.06 -0.12 0.53 -0.63 0.00 0.00 0.00 175.10 174.94 1ugi s ILE 18 N 2.88 5.10 0.58 2.22 -1.09 -1.26 -4.27 121.20 125.37 1ugi s ILE 18 Ca 0.44 0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 59.70 1ugi s ILE 18 Cb -0.16 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1ugi s ILE 18 CO 0.09 0.19 1.04 -1.10 -1.23 0.00 0.00 174.94 173.93 1ugi s GLN 19 N 1.52 3.44 0.39 2.79 -0.21 -0.01 -4.96 119.66 122.61 1ugi s GLN 19 Ca 0.25 1.13 -0.25 0.00 0.02 0.00 0.00 55.36 56.51 1ugi s GLN 19 Cb -0.15 -2.05 -0.11 0.00 1.00 0.00 0.00 33.01 31.69 1ugi s GLN 19 CO 0.10 -0.71 1.06 0.39 -2.12 0.00 0.00 175.29 174.01 1ugi n GLU 20 N -2.02 1.48 -2.30 2.91 4.71 -1.26 -4.25 120.64 119.91 1ugi n GLU 20 Ca 0.08 0.53 -0.36 0.00 -0.01 0.00 0.00 57.16 57.40 1ugi n GLU 20 Cb 0.53 -2.07 -0.01 0.00 -1.01 0.00 0.00 31.44 28.88 1ugi n GLU 20 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1ugi s SER 21 N -0.65 5.94 -0.11 1.62 1.04 -1.26 -4.75 113.70 115.54 1ugi s SER 21 Ca 0.62 2.19 0.04 0.00 0.48 0.00 0.00 55.95 59.27 1ugi s SER 21 Cb -0.57 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 62.96 1ugi s SER 21 CO 0.58 -1.07 -0.23 -0.63 0.98 0.00 0.00 173.24 172.87 1ugi s ILE 22 N -1.72 2.09 0.09 -1.02 1.01 -0.58 -4.93 121.20 116.13 1ugi s ILE 22 Ca 0.69 -1.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 1ugi s ILE 22 Cb -0.24 -1.80 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 1ugi s ILE 22 CO 0.28 0.56 0.57 -0.22 0.00 0.00 0.00 174.94 176.13 1ugi s LEU 23 N 0.39 4.49 -0.02 2.97 0.20 -1.26 -0.49 118.68 124.97 1ugi s LEU 23 Ca -0.17 1.23 0.05 0.00 0.69 0.00 0.00 54.13 55.93 1ugi s LEU 23 Cb -0.18 -2.96 -0.01 0.00 -0.43 0.00 0.00 46.19 42.61 1ugi s LEU 23 CO 0.08 0.25 -0.17 -0.04 -0.29 0.00 0.00 176.35 176.18 1ugi s MET 24 N -1.26 1.43 0.59 1.98 -1.94 -0.20 -4.97 119.30 114.94 1ugi s MET 24 Ca 0.30 -0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 53.54 1ugi s MET 24 Cb -0.19 -1.35 -0.04 0.00 2.01 0.00 0.00 34.83 35.26 1ugi s MET 24 CO 0.19 0.33 1.04 -0.51 -0.01 0.00 0.00 175.02 176.06 1ugi s LEU 25 N -0.28 3.47 0.27 -0.03 1.43 -1.26 -1.44 118.68 120.83 1ugi s LEU 25 Ca 0.04 1.72 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 1ugi s LEU 25 Cb -0.08 -4.52 0.54 0.00 0.03 0.00 0.00 46.19 42.17 1ugi s LEU 25 CO -0.00 -1.06 1.77 -0.65 0.23 0.00 0.00 176.35 176.64 1ugi h PRO 26 N 0.36 0.63 -0.13 1.29 0.11 -1.87 -1.52 132.00 130.86 1ugi h PRO 26 Ca -0.46 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1ugi h PRO 26 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ugi h PRO 26 CO 0.58 0.42 -0.38 0.93 -0.21 0.00 0.00 178.00 179.34 1ugi h GLU 27 N 0.65 0.28 -0.16 1.05 5.08 -1.93 -0.17 114.58 119.38 1ugi h GLU 27 Ca 0.47 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1ugi h GLU 27 Cb 0.66 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ugi h GLU 27 CO -0.36 0.63 0.09 0.93 -1.00 0.00 0.00 179.01 179.30 1ugi h GLU 28 N 0.24 0.18 -0.58 2.33 5.08 -1.78 -2.34 114.58 117.71 1ugi h GLU 28 Ca 0.02 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1ugi h GLU 28 Cb 0.79 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1ugi h GLU 28 CO 0.06 0.12 0.02 0.28 -1.00 0.00 0.00 179.01 178.49 1ugi h VAL 29 N 0.18 1.26 -0.88 3.13 2.07 -0.85 -3.03 116.25 118.13 1ugi h VAL 29 Ca 0.06 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1ugi h VAL 29 Cb -0.00 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1ugi h VAL 29 CO -0.03 0.40 0.47 -0.08 0.02 0.00 0.00 177.57 178.35 1ugi h GLU 30 N 0.92 1.24 -0.88 1.57 4.81 -0.85 0.15 114.58 121.54 1ugi h GLU 30 Ca 0.17 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ugi h GLU 30 Cb 0.51 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1ugi h GLU 30 CO 0.02 0.91 0.58 1.49 -0.73 0.00 0.00 179.01 181.28 1ugi h GLU 31 N 1.24 1.11 -0.00 1.92 4.57 -1.31 0.18 114.58 122.29 1ugi h GLU 31 Ca 0.31 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.32 1ugi h GLU 31 Cb 0.04 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 28.39 1ugi h GLU 31 CO -0.05 0.73 -0.41 0.28 -1.18 0.00 0.00 179.01 178.39 1ugi h VAL 32 N 1.14 1.49 0.00 0.32 2.07 -1.23 -3.40 116.25 116.64 1ugi h VAL 32 Ca 0.33 -2.00 -0.37 0.00 0.82 0.00 0.00 66.70 65.49 1ugi h VAL 32 Cb -0.06 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 1ugi h VAL 32 CO -0.09 0.56 -2.39 -0.38 0.02 0.00 0.00 177.57 175.30 1ugi n ILE 33 N -4.38 1.42 -0.32 4.57 2.08 -0.06 -4.99 119.36 117.69 1ugi n ILE 33 Ca -0.10 -0.79 0.00 0.00 0.56 0.00 0.00 62.75 62.42 1ugi n ILE 33 Cb 0.58 -0.71 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 1ugi n ILE 33 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ugi n GLY 34 N 1.86 0.76 2.99 7.39 0.00 0.63 -5.03 105.19 113.80 1ugi n GLY 34 Ca -0.35 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.45 0.62 -0.23 1.61 -0.87 -1.26 -5.08 114.94 107.29 1ugi s ASN 35 Ca 0.00 -0.30 -0.09 0.00 -1.57 0.00 0.00 52.86 50.90 1ugi s ASN 35 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.25 41.18 1ugi s ASN 35 CO 0.00 -0.08 0.10 -0.75 -2.57 0.00 0.00 177.10 173.81 1ugi s LYS 36 N -0.80 3.87 0.74 -0.60 2.20 -1.26 -3.71 119.74 120.18 1ugi s LYS 36 Ca -0.04 -0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.07 1ugi s LYS 36 Cb -0.06 -3.39 0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1ugi s LYS 36 CO -0.00 -0.01 1.10 -1.25 -0.36 0.00 0.00 175.35 174.83 1ugi s PRO 37 N 1.20 2.40 0.00 4.03 0.04 -1.26 -4.94 135.00 136.46 1ugi s PRO 37 Ca 0.06 1.26 0.29 0.00 0.04 0.00 0.00 61.00 62.65 1ugi s PRO 37 Cb -0.14 -1.91 1.21 0.00 0.04 0.00 0.00 34.50 33.70 1ugi s PRO 37 CO 0.04 -1.55 1.85 0.39 0.04 0.00 0.00 177.00 177.77 1ugi n GLU 38 N -3.16 0.79 -2.58 4.56 1.02 -1.26 -4.81 120.64 115.20 1ugi n GLU 38 Ca 0.10 -0.29 -0.04 0.00 -0.02 0.00 0.00 57.16 56.90 1ugi n GLU 38 Cb 0.53 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1ugi n GLU 38 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ugi n SER 39 N -0.85 -1.20 -4.68 1.62 2.88 -1.26 -5.10 113.62 105.03 1ugi n SER 39 Ca 0.15 -1.80 -0.38 0.00 -1.33 0.00 0.00 58.87 55.51 1ugi n SER 39 Cb 0.28 1.99 0.05 0.00 -0.75 0.00 0.00 64.21 65.78 1ugi n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ugi n ASP 40 N -1.23 1.70 -4.48 -3.46 8.00 -1.26 -4.52 116.55 111.31 1ugi n ASP 40 Ca -0.04 0.90 -0.32 0.00 0.71 0.00 0.00 54.79 56.04 1ugi n ASP 40 Cb 0.33 -1.48 -0.13 0.00 -0.02 0.00 0.00 41.12 39.82 1ugi n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ugi s ILE 41 N -1.39 2.98 -0.17 0.53 -1.09 -0.52 -3.42 121.20 118.11 1ugi s ILE 41 Ca 0.74 -0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 58.10 1ugi s ILE 41 Cb -0.43 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 1ugi s ILE 41 CO 0.48 0.42 0.07 -0.76 -1.23 0.00 0.00 174.94 173.92 1ugi s LEU 42 N -1.21 3.89 -0.24 2.97 1.43 0.20 -1.04 118.68 124.67 1ugi s LEU 42 Ca 0.14 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.29 1ugi s LEU 42 Cb -0.11 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1ugi s LEU 42 CO 0.04 0.20 0.10 -0.69 0.23 0.00 0.00 176.35 176.23 1ugi s VAL 43 N 0.19 4.62 -0.36 -1.59 1.01 0.36 -1.27 120.40 123.36 1ugi s VAL 43 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1ugi s VAL 43 Cb -0.12 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.18 1ugi s VAL 43 CO 0.00 0.34 0.13 -1.00 0.00 0.00 0.00 175.10 174.57 1ugi s HIS 44 N 1.41 3.43 -0.08 5.22 0.09 -0.14 -1.53 115.29 123.70 1ugi s HIS 44 Ca 0.06 -2.06 -0.05 0.00 -0.00 0.00 0.00 55.06 53.01 1ugi s HIS 44 Cb -0.15 -2.73 -0.04 0.00 -0.00 0.00 0.00 32.58 29.67 1ugi s HIS 44 CO 0.05 -0.88 0.13 0.95 -0.00 0.00 0.00 174.74 174.99 1ugi s THR 45 N 1.23 5.26 -0.02 1.30 -4.23 -1.26 -1.09 115.64 116.83 1ugi s THR 45 Ca 0.02 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1ugi s THR 45 Cb -0.21 -3.34 0.02 0.00 1.34 0.00 0.00 72.50 70.31 1ugi s THR 45 CO -0.02 0.52 0.04 0.00 -0.54 0.00 0.00 174.62 174.61 1ugi s ALA 46 N -1.10 0.00 -0.10 3.99 0.00 0.62 -0.83 121.76 124.34 1ugi s ALA 46 Ca 0.19 0.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 1ugi s ALA 46 Cb -0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1ugi s ALA 46 CO 0.09 -0.08 0.59 -0.47 0.00 0.00 0.00 175.76 175.88 1ugi s TYR 47 N 0.72 3.53 -0.75 0.00 5.04 -1.26 -1.03 117.35 123.61 1ugi s TYR 47 Ca -0.06 1.05 -0.11 0.00 -2.44 0.00 0.00 57.07 55.51 1ugi s TYR 47 Cb -0.08 -2.68 0.20 0.00 0.35 0.00 0.00 41.96 39.74 1ugi s TYR 47 CO -0.02 0.10 0.65 0.34 -1.34 0.00 0.00 175.55 175.28 1ugi s ASP 48 N 0.75 6.28 0.53 4.32 -1.08 0.91 -4.71 116.67 123.67 1ugi s ASP 48 Ca 0.31 -2.67 0.29 0.00 -0.52 0.00 0.00 52.55 49.96 1ugi s ASP 48 Cb -0.16 -2.11 1.48 0.00 -1.46 0.00 0.00 42.92 40.67 1ugi s ASP 48 CO 0.14 -0.53 2.07 -0.08 0.52 0.00 0.00 175.17 177.28 1ugi h GLU 49 N 7.65 0.00 0.00 4.34 4.81 -1.95 0.11 114.58 129.54 1ugi h GLU 49 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1ugi h GLU 49 Cb 1.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1ugi h GLU 49 CO 0.76 0.11 -0.12 0.66 -0.73 0.00 0.00 179.01 179.69 1ugi h SER 50 N 0.00 0.00 0.00 1.04 4.64 -1.95 -3.00 113.55 114.28 1ugi h SER 50 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ugi h SER 50 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1ugi h SER 50 CO 0.01 0.12 0.00 0.35 -0.87 0.00 0.00 176.83 176.44 1ugi n THR 51 N -4.31 0.30 -3.75 2.95 -2.24 -0.92 -5.01 114.28 101.30 1ugi n THR 51 Ca -0.03 -0.65 -0.22 0.00 -2.27 0.00 0.00 64.05 60.88 1ugi n THR 51 Cb 0.19 0.86 0.02 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.15 -1.17 -4.28 3.42 2.03 0.34 -4.84 116.55 111.90 1ugi n ASP 52 Ca 0.00 -0.87 -0.30 0.00 0.52 0.00 0.00 54.79 54.14 1ugi n ASP 52 Cb 0.08 -3.81 -0.16 0.00 -0.72 0.00 0.00 41.12 36.50 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 -6.09 2.01 -0.16 -0.67 2.02 -0.82 -3.58 118.70 111.42 1ugi s GLU 53 Ca 0.02 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 1ugi s GLU 53 Cb -0.01 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 1ugi s GLU 53 CO 0.83 0.52 0.18 -0.80 0.02 0.00 0.00 175.26 176.01 1ugi s ASN 54 N -0.54 6.34 -0.25 -0.19 -0.87 -0.07 -0.06 114.94 119.30 1ugi s ASN 54 Ca 0.09 0.40 -0.04 0.00 -1.57 0.00 0.00 52.86 51.73 1ugi s ASN 54 Cb -0.10 -2.11 0.00 0.00 -0.02 0.00 0.00 41.25 39.02 1ugi s ASN 54 CO -0.01 0.24 -0.01 -0.69 -2.57 0.00 0.00 177.10 174.06 1ugi s VAL 55 N -0.10 3.42 -0.25 1.60 1.01 -0.19 0.05 120.40 125.93 1ugi s VAL 55 Ca 0.13 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ugi s VAL 55 Cb -0.12 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.65 1ugi s VAL 55 CO 0.02 0.27 -0.11 -0.04 0.00 0.00 0.00 175.10 175.24 1ugi s MET 56 N 1.45 2.48 -0.24 2.72 -1.94 0.32 -0.27 119.30 123.82 1ugi s MET 56 Ca 0.04 -1.19 -0.17 0.00 -1.71 0.00 0.00 55.69 52.65 1ugi s MET 56 Cb -0.16 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.79 1ugi s MET 56 CO -0.02 -0.48 0.47 -1.17 -0.01 0.00 0.00 175.02 173.81 1ugi s LEU 57 N 1.18 4.08 -0.29 -0.03 2.96 -0.25 -0.37 118.68 125.96 1ugi s LEU 57 Ca -0.05 0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 54.26 1ugi s LEU 57 Cb -0.18 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1ugi s LEU 57 CO -0.06 -0.21 0.18 -0.76 -1.32 0.00 0.00 176.35 174.18 1ugi s LEU 58 N 1.96 4.06 0.36 -0.68 1.43 0.55 -0.97 118.68 125.39 1ugi s LEU 58 Ca 0.20 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1ugi s LEU 58 Cb -0.15 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 1ugi s LEU 58 CO 0.09 -0.10 -0.01 0.42 0.23 0.00 0.00 176.35 176.97 1ugi s THR 59 N 1.72 1.85 1.07 5.49 -4.23 -0.40 -0.47 115.64 120.67 1ugi s THR 59 Ca 0.06 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.35 1ugi s THR 59 Cb -0.16 -2.81 0.23 0.00 1.34 0.00 0.00 72.50 71.10 1ugi s THR 59 CO 0.09 -0.09 1.15 -0.94 -0.54 0.00 0.00 174.62 174.30 1ugi s SER 60 N -3.61 2.07 0.96 3.99 1.04 0.09 0.58 113.70 118.83 1ugi s SER 60 Ca 0.34 0.71 -0.13 0.00 0.48 0.00 0.00 55.95 57.35 1ugi s SER 60 Cb 0.07 -1.05 0.17 0.00 0.10 0.00 0.00 66.02 65.31 1ugi s SER 60 CO 0.16 -3.42 1.14 -0.62 0.98 0.00 0.00 173.24 171.48 1ugi s ASP 61 N -4.03 3.06 0.75 7.02 -1.08 -1.22 -3.73 116.67 117.43 1ugi s ASP 61 Ca 0.69 0.94 -0.14 0.00 -0.52 0.00 0.00 52.55 53.52 1ugi s ASP 61 Cb -0.11 -1.48 0.05 0.00 -1.46 0.00 0.00 42.92 39.92 1ugi s ASP 61 CO 0.55 -2.83 1.17 0.00 0.52 0.00 0.00 175.17 174.58 1ugi s ALA 62 N -3.22 2.10 -2.13 3.66 0.00 -1.26 -1.64 121.76 119.27 1ugi s ALA 62 Ca 0.65 0.73 0.28 0.00 0.00 0.00 0.00 51.96 53.61 1ugi s ALA 62 Cb -0.15 -3.42 1.00 0.00 0.00 0.00 0.00 23.12 20.55 1ugi s ALA 62 CO 0.54 -1.88 1.71 -0.35 0.00 0.00 0.00 175.76 175.78 1ugi n PRO 63 N -2.94 1.25 0.08 0.00 -0.04 -1.26 -4.85 135.00 127.23 1ugi n PRO 63 Ca 0.12 -0.69 -0.20 0.00 -0.04 0.00 0.00 63.50 62.69 1ugi n PRO 63 Cb 0.51 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.68 0.60 -6.49 0.54 3.07 -1.86 -3.47 114.58 108.65 1ugi h GLU 64 Ca 0.00 -0.74 -0.51 0.00 -0.50 0.00 0.00 59.36 57.62 1ugi h GLU 64 Cb 0.47 0.23 -0.10 0.00 -0.84 0.00 0.00 28.75 28.50 1ugi h GLU 64 CO 0.00 1.32 -0.80 0.66 -1.40 0.00 0.00 179.01 178.79 1ugi n TYR 65 N -3.79 -2.04 -1.88 4.33 4.01 -0.65 -4.87 117.16 112.28 1ugi n TYR 65 Ca -0.12 0.85 -0.42 0.00 -0.16 0.00 0.00 57.90 58.06 1ugi n TYR 65 Cb 0.94 -3.57 -0.03 0.00 -0.31 0.00 0.00 39.34 36.37 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 -6.72 4.13 0.23 -0.72 2.20 -1.26 -4.58 119.74 113.02 1ugi s LYS 66 Ca 0.64 2.33 -0.31 0.00 -0.36 0.00 0.00 55.97 58.27 1ugi s LYS 66 Cb -0.34 -4.06 -0.11 0.00 -1.51 0.00 0.00 37.83 31.81 1ugi s LYS 66 CO 0.87 -0.93 1.62 -2.14 -0.36 0.00 0.00 175.35 174.41 1ugi s PRO 67 N 4.26 4.16 0.00 4.03 0.02 -1.26 -0.73 135.00 145.48 1ugi s PRO 67 Ca 0.79 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.32 1ugi s PRO 67 Cb -0.36 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1ugi s PRO 67 CO 0.34 -0.65 0.00 1.87 -0.33 0.00 0.00 177.00 178.23 1ugi n TRP 68 N 3.24 0.00 -3.46 6.54 -0.00 0.38 -4.75 117.44 119.38 1ugi n TRP 68 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.49 1ugi n TRP 68 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.65 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 -1.85 -1.53 -0.10 5.87 0.00 -0.99 -0.95 121.76 122.22 1ugi s ALA 69 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1ugi s ALA 69 Cb 0.00 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1ugi s ALA 69 CO 0.00 -0.70 -0.16 -1.17 0.00 0.00 0.00 175.76 173.73 1ugi s LEU 70 N -2.54 1.78 -0.17 0.00 2.96 0.13 -0.33 118.68 120.51 1ugi s LEU 70 Ca -0.00 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1ugi s LEU 70 Cb -0.01 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1ugi s LEU 70 CO -0.10 0.04 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.17 1ugi s VAL 71 N 0.87 3.05 -0.21 1.68 1.01 0.50 -0.25 120.40 127.06 1ugi s VAL 71 Ca -0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1ugi s VAL 71 Cb -0.15 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1ugi s VAL 71 CO 0.00 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 174.90 1ugi s ILE 72 N 0.85 3.19 -0.10 2.22 -1.09 -0.22 0.12 121.20 126.16 1ugi s ILE 72 Ca -0.03 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 1ugi s ILE 72 Cb -0.15 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1ugi s ILE 72 CO 0.00 0.44 -0.07 -1.58 -1.23 0.00 0.00 174.94 172.51 1ugi s GLN 73 N 1.43 3.14 0.75 2.79 0.74 0.11 -1.26 119.66 127.36 1ugi s GLN 73 Ca 0.05 -0.55 -0.01 0.00 0.05 0.00 0.00 55.36 54.90 1ugi s GLN 73 Cb -0.14 -2.70 0.15 0.00 1.10 0.00 0.00 33.01 31.42 1ugi s GLN 73 CO -0.04 0.47 1.03 -0.40 -0.55 0.00 0.00 175.29 175.79 1ugi n ASP 74 N 2.82 1.30 0.24 6.67 5.68 -0.50 -0.89 116.55 131.88 1ugi n ASP 74 Ca -0.18 -2.12 0.13 0.00 -0.50 0.00 0.00 54.79 52.12 1ugi n ASP 74 Cb 0.53 -0.67 0.54 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.66 0.00 0.14 -1.12 4.64 -1.88 -0.86 113.55 113.81 1ugi h SER 75 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1ugi h SER 75 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ugi h SER 75 CO 0.36 0.14 -0.02 0.59 -0.87 0.00 0.00 176.83 177.02 1ugi n ASN 76 N -3.28 0.29 -0.09 4.97 5.03 -1.26 -4.91 115.26 116.01 1ugi n ASN 76 Ca 0.00 -0.87 -0.01 0.00 0.87 0.00 0.00 54.58 54.57 1ugi n ASN 76 Cb 0.38 -0.06 -0.00 0.00 -1.02 0.00 0.00 39.78 39.09 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 1.11 0.37 3.79 7.41 0.00 -0.33 -5.05 105.19 112.50 1ugi n GLY 77 Ca 0.20 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.37 4.05 -0.06 1.61 2.02 -1.26 -4.85 118.70 116.84 1ugi s GLU 78 Ca 0.00 0.27 -0.09 0.00 0.02 0.00 0.00 54.97 55.17 1ugi s GLU 78 Cb 0.00 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 1ugi s GLU 78 CO 0.00 0.46 0.25 -0.80 0.02 0.00 0.00 175.26 175.19 1ugi s ASN 79 N -0.29 6.54 -0.09 -0.19 0.02 -1.26 -1.40 114.94 118.26 1ugi s ASN 79 Ca 0.21 0.64 0.02 0.00 -1.02 0.00 0.00 52.86 52.72 1ugi s ASN 79 Cb -0.15 -2.13 -0.02 0.00 0.02 0.00 0.00 41.25 38.97 1ugi s ASN 79 CO 0.09 0.36 -0.16 -0.75 0.02 0.00 0.00 177.10 176.66 1ugi s LYS 80 N -1.14 2.96 -0.07 -0.60 2.20 -0.39 -5.00 119.74 117.71 1ugi s LYS 80 Ca 0.20 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1ugi s LYS 80 Cb -0.14 -2.45 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 1ugi s LYS 80 CO 0.09 0.35 -0.24 0.42 -0.36 0.00 0.00 175.35 175.61 1ugi s ILE 81 N -0.04 1.99 -0.16 5.43 1.01 -1.26 -1.06 121.20 127.11 1ugi s ILE 81 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1ugi s ILE 81 Cb -0.14 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.66 1ugi s ILE 81 CO 0.04 0.55 -0.14 -0.75 0.00 0.00 0.00 174.94 174.64 1ugi s LYS 82 N 0.03 2.30 0.20 2.79 2.20 0.65 -4.99 119.74 122.93 1ugi s LYS 82 Ca -0.09 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 1ugi s LYS 82 Cb -0.15 -2.19 -0.08 0.00 -1.51 0.00 0.00 37.83 33.90 1ugi s LYS 82 CO 0.05 -0.27 1.08 -1.64 -0.36 0.00 0.00 175.35 174.22 1ugi s MET 83 N 1.46 4.62 0.00 4.03 -1.94 -1.26 0.19 119.30 126.40 1ugi s MET 83 Ca 0.04 1.70 0.23 0.00 -1.71 0.00 0.00 55.69 55.96 1ugi s MET 83 Cb -0.13 -3.27 0.18 0.00 2.01 0.00 0.00 34.83 33.62 1ugi s MET 83 CO -0.10 0.13 1.23 1.28 -0.01 0.00 0.00 175.02 177.55