#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugi n ASN 3 N 0.00 0.87 -0.12 3.42 0.23 -1.26 -4.97 115.26 113.43 1ugi n ASN 3 Ca 0.00 -1.48 -0.12 0.00 -0.53 0.00 0.00 54.58 52.46 1ugi n ASN 3 Cb 0.00 -0.09 -0.02 0.00 -2.08 0.00 0.00 39.78 37.59 1ugi n ASN 3 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1ugi h LEU 4 N 0.00 0.81 -1.66 -4.53 3.38 -1.99 -2.19 115.31 109.13 1ugi h LEU 4 Ca -0.08 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1ugi h LEU 4 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ugi h LEU 4 CO 0.13 1.04 0.23 -1.28 0.09 0.00 0.00 178.44 178.65 1ugi h SER 5 N 0.58 0.40 -0.36 -0.43 0.87 -1.96 -1.15 113.55 111.50 1ugi h SER 5 Ca 0.08 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 1ugi h SER 5 Cb 0.74 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1ugi h SER 5 CO 0.06 0.29 -0.43 0.44 -0.53 0.00 0.00 176.83 176.66 1ugi h ASP 6 N 0.47 0.99 -0.52 6.23 3.32 -1.90 0.51 116.42 125.53 1ugi h ASP 6 Ca 0.13 -0.49 0.06 0.00 0.02 0.00 0.00 57.03 56.75 1ugi h ASP 6 Cb -0.05 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.16 1ugi h ASP 6 CO -0.03 1.28 0.22 0.40 -1.72 0.00 0.00 179.24 179.39 1ugi h ILE 7 N 0.73 0.88 -0.49 0.35 2.04 -0.60 0.42 117.51 120.83 1ugi h ILE 7 Ca 0.05 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 1ugi h ILE 7 Cb 1.03 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1ugi h ILE 7 CO 0.10 0.08 -0.14 0.40 0.00 0.00 0.00 178.15 178.59 1ugi h ILE 8 N 0.43 1.27 -0.74 -0.67 2.04 -1.16 -2.85 117.51 115.83 1ugi h ILE 8 Ca 0.24 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1ugi h ILE 8 Cb 0.22 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1ugi h ILE 8 CO -0.22 0.45 0.31 -0.08 0.00 0.00 0.00 178.15 178.61 1ugi h GLU 9 N 0.83 1.08 -0.05 2.37 4.81 -0.13 -1.96 114.58 121.54 1ugi h GLU 9 Ca 0.12 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1ugi h GLU 9 Cb 0.71 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1ugi h GLU 9 CO 0.05 0.87 -0.45 -0.22 -0.73 0.00 0.00 179.01 178.52 1ugi h LYS 10 N 1.06 0.11 0.04 1.92 3.64 -0.86 0.39 116.57 122.86 1ugi h LYS 10 Ca 0.25 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.35 1ugi h LYS 10 Cb 0.17 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1ugi h LYS 10 CO -0.02 0.54 -1.05 0.93 -2.27 0.00 0.00 179.45 177.58 1ugi h GLU 11 N 0.09 0.09 0.00 1.90 4.39 -1.24 -3.40 114.58 116.41 1ugi h GLU 11 Ca 0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1ugi h GLU 11 Cb 0.84 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1ugi h GLU 11 CO 0.06 1.05 0.00 0.25 -1.16 0.00 0.00 179.01 179.21 1ugi n THR 12 N -3.44 0.00 -0.38 1.13 -2.24 -0.77 -5.01 114.28 103.57 1ugi n THR 12 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1ugi n THR 12 Cb 0.94 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 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 0.28 1.74 3.90 3.38 0.00 0.14 -4.99 105.19 109.64 1ugi n GLY 13 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ugi n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugi s LYS 14 N -0.08 3.55 -0.26 1.61 0.00 -1.25 -4.96 119.74 118.35 1ugi s LYS 14 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 55.97 55.79 1ugi s LYS 14 Cb 0.00 -2.96 0.06 0.00 0.00 0.00 0.00 37.83 34.93 1ugi s LYS 14 CO 0.00 0.55 -0.09 -1.14 0.00 0.00 0.00 175.35 174.67 1ugi s GLN 15 N -2.43 2.08 0.26 1.78 2.00 -1.26 -2.99 119.66 119.09 1ugi s GLN 15 Ca 0.36 -1.29 0.05 0.00 -2.00 0.00 0.00 55.36 52.49 1ugi s GLN 15 Cb -0.13 -2.83 -0.06 0.00 0.80 0.00 0.00 33.01 30.80 1ugi s GLN 15 CO 0.24 -0.59 -0.03 -0.51 -0.50 0.00 0.00 175.29 173.90 1ugi s LEU 16 N 1.16 2.35 -0.18 3.68 1.43 -1.26 -5.11 118.68 120.76 1ugi s LEU 16 Ca -0.08 -1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 1ugi s LEU 16 Cb -0.20 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 1ugi s LEU 16 CO -0.05 -0.42 0.58 -0.69 0.23 0.00 0.00 176.35 175.99 1ugi s VAL 17 N -3.20 5.07 -0.08 -1.59 1.01 -1.26 -4.89 120.40 115.47 1ugi s VAL 17 Ca 0.29 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 1ugi s VAL 17 Cb 0.05 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ugi s VAL 17 CO 0.10 0.17 0.52 -0.63 0.00 0.00 0.00 175.10 175.27 1ugi s ILE 18 N 1.55 5.10 0.58 2.22 -1.09 -1.26 -4.34 121.20 123.97 1ugi s ILE 18 Ca 0.28 1.07 -0.08 0.00 -2.23 0.00 0.00 60.65 59.69 1ugi s ILE 18 Cb -0.16 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1ugi s ILE 18 CO 0.11 0.35 0.93 -1.10 -1.23 0.00 0.00 174.94 174.00 1ugi s GLN 19 N 0.35 3.21 0.36 2.79 -1.52 0.16 -4.98 119.66 120.03 1ugi s GLN 19 Ca 0.28 0.27 -0.27 0.00 -1.95 0.00 0.00 55.36 53.69 1ugi s GLN 19 Cb -0.16 -2.22 -0.12 0.00 -0.22 0.00 0.00 33.01 30.29 1ugi s GLN 19 CO 0.13 -0.59 1.31 0.39 -0.25 0.00 0.00 175.29 176.28 1ugi n GLU 20 N -2.60 2.17 -2.38 2.91 -0.58 -1.26 -4.37 120.64 114.53 1ugi n GLU 20 Ca 0.04 0.76 -0.34 0.00 -0.42 0.00 0.00 57.16 57.20 1ugi n GLU 20 Cb 0.56 -2.39 -0.02 0.00 -0.57 0.00 0.00 31.44 29.03 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 -0.33 6.03 -0.07 1.62 1.04 -1.26 -4.74 113.70 115.98 1ugi s SER 21 Ca 0.56 2.02 0.05 0.00 0.48 0.00 0.00 55.95 59.06 1ugi s SER 21 Cb -0.54 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.01 1ugi s SER 21 CO 0.62 -1.00 -0.22 -0.63 0.98 0.00 0.00 173.24 172.98 1ugi s ILE 22 N -1.93 1.90 0.11 -1.02 1.01 -0.48 -4.92 121.20 115.87 1ugi s ILE 22 Ca 0.69 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 1ugi s ILE 22 Cb -0.19 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1ugi s ILE 22 CO 0.24 0.53 0.71 -0.22 0.00 0.00 0.00 174.94 176.20 1ugi s LEU 23 N 0.14 4.54 -0.01 2.97 2.96 -1.26 -0.24 118.68 127.78 1ugi s LEU 23 Ca -0.11 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1ugi s LEU 23 Cb -0.15 -3.16 0.00 0.00 0.50 0.00 0.00 46.19 43.37 1ugi s LEU 23 CO 0.06 0.18 -0.04 -0.04 -1.32 0.00 0.00 176.35 175.19 1ugi s MET 24 N -0.86 0.39 0.73 1.98 -1.94 0.89 -4.96 119.30 115.52 1ugi s MET 24 Ca 0.34 -0.14 -0.14 0.00 -1.71 0.00 0.00 55.69 54.05 1ugi s MET 24 Cb -0.21 -0.40 0.04 0.00 2.01 0.00 0.00 34.83 36.27 1ugi s MET 24 CO 0.23 0.07 1.13 -0.51 -0.01 0.00 0.00 175.02 175.93 1ugi s LEU 25 N 0.06 3.24 0.26 -0.03 1.43 -1.26 -1.74 118.68 120.64 1ugi s LEU 25 Ca -0.00 2.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.16 1ugi s LEU 25 Cb -0.04 -4.56 0.52 0.00 0.03 0.00 0.00 46.19 42.15 1ugi s LEU 25 CO -0.00 -2.02 1.76 -0.65 0.23 0.00 0.00 176.35 175.66 1ugi h PRO 26 N -0.48 0.60 -0.03 1.29 0.11 -1.87 -0.40 132.00 131.22 1ugi h PRO 26 Ca -0.46 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1ugi h PRO 26 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ugi h PRO 26 CO 0.51 0.40 -0.51 0.93 -0.21 0.00 0.00 178.00 179.11 1ugi h GLU 27 N 0.62 0.08 -0.55 1.05 3.07 -1.92 -1.79 114.58 115.13 1ugi h GLU 27 Ca 0.46 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.23 1ugi h GLU 27 Cb 0.64 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1ugi h GLU 27 CO -0.36 0.57 0.16 0.93 -1.40 0.00 0.00 179.01 178.92 1ugi h GLU 28 N 0.06 0.86 0.29 2.33 5.08 -1.48 -3.23 114.58 118.49 1ugi h GLU 28 Ca -0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1ugi h GLU 28 Cb 0.93 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1ugi h GLU 28 CO 0.07 0.79 -0.14 0.28 -1.00 0.00 0.00 179.01 179.01 1ugi h VAL 29 N 0.76 0.75 -0.88 3.13 2.07 -0.82 -3.37 116.25 117.90 1ugi h VAL 29 Ca 0.18 -0.31 0.12 0.00 0.82 0.00 0.00 66.70 67.51 1ugi h VAL 29 Cb 0.30 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1ugi h VAL 29 CO -0.00 0.07 0.57 -0.08 0.02 0.00 0.00 177.57 178.14 1ugi h GLU 30 N -0.55 0.75 -0.55 1.57 4.81 -1.35 -1.41 114.58 117.86 1ugi h GLU 30 Ca -0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1ugi h GLU 30 Cb 0.40 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1ugi h GLU 30 CO 0.06 0.50 0.28 1.49 -0.73 0.00 0.00 179.01 180.61 1ugi h GLU 31 N 0.78 0.78 -0.17 1.92 4.57 -1.72 1.17 114.58 121.90 1ugi h GLU 31 Ca 0.42 -0.10 -0.19 0.00 -1.18 0.00 0.00 59.36 58.31 1ugi h GLU 31 Cb 0.56 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1ugi h GLU 31 CO -0.19 0.62 -0.62 0.28 -1.18 0.00 0.00 179.01 177.92 1ugi h VAL 32 N 0.74 1.30 0.00 0.32 2.07 -1.47 -3.35 116.25 115.86 1ugi h VAL 32 Ca 0.19 -1.85 -0.24 0.00 0.82 0.00 0.00 66.70 65.62 1ugi h VAL 32 Cb 0.09 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1ugi h VAL 32 CO -0.03 0.58 -1.79 -0.38 0.02 0.00 0.00 177.57 175.98 1ugi n ILE 33 N -4.06 1.29 -0.82 4.57 2.08 -0.90 -4.97 119.36 116.55 1ugi n ILE 33 Ca -0.07 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.49 1ugi n ILE 33 Cb 0.66 -0.72 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 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 1.52 0.68 3.08 7.39 0.00 0.40 -5.05 105.19 113.22 1ugi n GLY 34 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.28 0.68 -0.17 1.61 0.01 -1.22 -5.02 114.94 108.55 1ugi s ASN 35 Ca 0.00 -0.80 -0.03 0.00 -0.71 0.00 0.00 52.86 51.32 1ugi s ASN 35 Cb 0.00 0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.76 1ugi s ASN 35 CO 0.00 -0.42 -0.06 -0.75 -1.51 0.00 0.00 177.10 174.37 1ugi s LYS 36 N -2.87 3.54 0.65 -0.60 2.20 -1.26 -3.78 119.74 117.62 1ugi s LYS 36 Ca -0.00 -0.58 -0.10 0.00 -0.36 0.00 0.00 55.97 54.93 1ugi s LYS 36 Cb -0.00 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1ugi s LYS 36 CO -0.04 0.12 1.02 -1.25 -0.36 0.00 0.00 175.35 174.84 1ugi s PRO 37 N 0.65 3.01 0.28 4.03 0.04 -1.26 -4.95 135.00 136.80 1ugi s PRO 37 Ca -0.03 0.36 0.12 0.00 0.04 0.00 0.00 61.00 61.48 1ugi s PRO 37 Cb -0.15 -2.12 0.37 0.00 0.04 0.00 0.00 34.50 32.65 1ugi s PRO 37 CO 0.02 -0.84 1.61 1.05 0.04 0.00 0.00 177.00 178.89 1ugi h GLU 38 N -0.43 0.00 0.00 4.56 4.11 -1.98 -3.45 114.58 117.39 1ugi h GLU 38 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 1ugi h GLU 38 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1ugi h GLU 38 CO 0.63 0.60 -0.02 0.43 0.07 0.00 0.00 179.01 180.71 1ugi n SER 39 N -3.73 -0.05 -4.58 3.06 7.64 -1.26 -5.02 113.62 109.68 1ugi n SER 39 Ca -0.01 -1.12 -0.36 0.00 1.01 0.00 0.00 58.87 58.39 1ugi n SER 39 Cb 0.62 0.11 0.08 0.00 -1.01 0.00 0.00 64.21 64.00 1ugi n SER 39 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ugi n ASP 40 N -2.68 0.08 -4.31 6.43 8.00 -1.26 -4.40 116.55 118.41 1ugi n ASP 40 Ca 0.00 0.67 -0.29 0.00 0.71 0.00 0.00 54.79 55.88 1ugi n ASP 40 Cb 0.03 -1.35 -0.15 0.00 -0.02 0.00 0.00 41.12 39.63 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 -1.79 1.99 -0.14 0.53 -1.09 -0.71 -3.28 121.20 116.70 1ugi s ILE 41 Ca 0.72 -1.25 -0.12 0.00 -2.23 0.00 0.00 60.65 57.77 1ugi s ILE 41 Cb -0.36 -1.69 -0.05 0.00 -1.58 0.00 0.00 42.46 38.78 1ugi s ILE 41 CO 0.52 0.40 0.24 -0.76 -1.23 0.00 0.00 174.94 174.10 1ugi s LEU 42 N -1.01 4.29 -0.24 2.97 1.43 -0.23 -0.08 118.68 125.81 1ugi s LEU 42 Ca 0.10 0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 53.61 1ugi s LEU 42 Cb -0.10 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1ugi s LEU 42 CO 0.01 0.20 0.10 -0.69 0.23 0.00 0.00 176.35 176.20 1ugi s VAL 43 N -0.01 4.73 -0.34 -1.59 1.01 0.67 -1.08 120.40 123.79 1ugi s VAL 43 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1ugi s VAL 43 Cb -0.13 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 33.13 1ugi s VAL 43 CO 0.04 0.35 0.08 -1.00 0.00 0.00 0.00 175.10 174.56 1ugi s HIS 44 N 1.27 3.45 0.28 5.22 0.09 0.53 -1.38 115.29 124.75 1ugi s HIS 44 Ca 0.06 -2.24 -0.04 0.00 -0.00 0.00 0.00 55.06 52.84 1ugi s HIS 44 Cb -0.14 -2.62 -0.05 0.00 -0.00 0.00 0.00 32.58 29.77 1ugi s HIS 44 CO 0.05 -0.89 0.53 -0.08 -0.00 0.00 0.00 174.74 174.35 1ugi s THR 45 N 1.16 5.06 -0.13 1.30 -1.32 -1.26 -1.29 115.64 119.16 1ugi s THR 45 Ca 0.02 -0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 60.34 1ugi s THR 45 Cb -0.21 -3.74 0.04 0.00 -1.51 0.00 0.00 72.50 67.08 1ugi s THR 45 CO -0.03 -0.32 0.34 0.00 -2.21 0.00 0.00 174.62 172.40 1ugi s ALA 46 N -2.07 -0.83 -0.15 11.08 0.00 0.35 0.39 121.76 130.54 1ugi s ALA 46 Ca 0.43 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 53.32 1ugi s ALA 46 Cb -0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1ugi s ALA 46 CO 0.30 -0.17 0.10 -0.47 0.00 0.00 0.00 175.76 175.52 1ugi s TYR 47 N 0.37 3.43 -0.47 0.00 5.04 -1.26 -0.12 117.35 124.33 1ugi s TYR 47 Ca -0.02 0.35 -0.08 0.00 -2.44 0.00 0.00 57.07 54.88 1ugi s TYR 47 Cb -0.03 -2.00 0.12 0.00 0.35 0.00 0.00 41.96 40.40 1ugi s TYR 47 CO -0.01 0.48 0.33 0.34 -1.34 0.00 0.00 175.55 175.35 1ugi s ASP 48 N -0.41 5.60 0.42 4.32 -1.08 0.31 -4.72 116.67 121.11 1ugi s ASP 48 Ca 0.11 -2.01 0.09 0.00 -0.52 0.00 0.00 52.55 50.22 1ugi s ASP 48 Cb -0.12 -1.97 0.90 0.00 -1.46 0.00 0.00 42.92 40.27 1ugi s ASP 48 CO 0.02 -0.64 2.03 -0.33 0.52 0.00 0.00 175.17 176.77 1ugi h GLU 49 N 8.28 0.39 0.00 4.34 4.39 -1.97 0.51 114.58 130.52 1ugi h GLU 49 Ca -0.18 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1ugi h GLU 49 Cb 1.06 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1ugi h GLU 49 CO 0.82 0.32 -0.00 0.66 -1.16 0.00 0.00 179.01 179.64 1ugi h SER 50 N 0.40 0.00 0.00 1.42 4.64 -1.96 -3.12 113.55 114.94 1ugi h SER 50 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ugi h SER 50 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ugi h SER 50 CO -0.01 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.30 1ugi n THR 51 N -4.42 0.00 -3.63 2.95 -2.24 -1.05 -5.03 114.28 100.86 1ugi n THR 51 Ca -0.03 -0.30 -0.24 0.00 -2.27 0.00 0.00 64.05 61.21 1ugi n THR 51 Cb 0.09 1.34 0.07 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.09 -5.64 -4.46 3.42 2.03 0.18 -4.70 116.55 107.29 1ugi n ASP 52 Ca 0.00 -0.59 -0.30 0.00 0.52 0.00 0.00 54.79 54.42 1ugi n ASP 52 Cb 0.08 -4.88 -0.12 0.00 -0.72 0.00 0.00 41.12 35.49 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 -6.25 1.92 -0.15 -0.67 2.02 -1.09 -3.04 118.70 111.44 1ugi s GLU 53 Ca 0.53 -1.08 -0.07 0.00 0.02 0.00 0.00 54.97 54.36 1ugi s GLU 53 Cb -0.24 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1ugi s GLU 53 CO 0.74 0.51 0.12 -0.80 0.02 0.00 0.00 175.26 175.85 1ugi s ASN 54 N -1.74 6.15 -0.21 -0.19 0.01 -0.30 -0.53 114.94 118.13 1ugi s ASN 54 Ca 0.16 0.33 -0.02 0.00 -0.71 0.00 0.00 52.86 52.62 1ugi s ASN 54 Cb -0.10 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.55 1ugi s ASN 54 CO 0.07 0.32 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.20 1ugi s VAL 55 N -0.48 2.98 -0.28 1.60 1.01 0.82 -0.39 120.40 125.67 1ugi s VAL 55 Ca 0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1ugi s VAL 55 Cb -0.12 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1ugi s VAL 55 CO 0.02 0.46 -0.01 -0.04 0.00 0.00 0.00 175.10 175.53 1ugi s MET 56 N 1.41 2.72 -0.25 2.72 1.00 0.41 -0.50 119.30 126.81 1ugi s MET 56 Ca 0.05 -1.07 -0.15 0.00 0.00 0.00 0.00 55.69 54.52 1ugi s MET 56 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 34.83 31.50 1ugi s MET 56 CO -0.06 -0.50 0.38 -1.17 0.00 0.00 0.00 175.02 173.66 1ugi s LEU 57 N 1.33 4.07 -0.20 -0.03 2.96 -0.41 -0.35 118.68 126.06 1ugi s LEU 57 Ca -0.01 0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.16 1ugi s LEU 57 Cb -0.18 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 1ugi s LEU 57 CO -0.02 -0.15 0.08 -0.76 -1.32 0.00 0.00 176.35 174.18 1ugi s LEU 58 N 1.85 3.87 0.31 -0.68 1.02 0.61 -0.35 118.68 125.31 1ugi s LEU 58 Ca 0.16 0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.46 1ugi s LEU 58 Cb -0.15 -1.99 -0.06 0.00 0.02 0.00 0.00 46.19 44.00 1ugi s LEU 58 CO 0.09 0.15 -0.04 0.42 0.02 0.00 0.00 176.35 176.99 1ugi s THR 59 N 0.53 1.74 1.11 5.49 -4.23 -0.24 -0.05 115.64 119.99 1ugi s THR 59 Ca 0.04 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 1ugi s THR 59 Cb -0.13 -2.59 0.25 0.00 1.34 0.00 0.00 72.50 71.38 1ugi s THR 59 CO 0.01 -0.21 1.05 -0.94 -0.54 0.00 0.00 174.62 173.99 1ugi s SER 60 N -3.51 1.53 0.92 3.99 1.04 0.46 -1.07 113.70 117.07 1ugi s SER 60 Ca 0.32 1.28 -0.12 0.00 0.48 0.00 0.00 55.95 57.91 1ugi s SER 60 Cb 0.05 -2.00 0.14 0.00 0.10 0.00 0.00 66.02 64.31 1ugi s SER 60 CO 0.14 -3.82 1.09 -0.62 0.98 0.00 0.00 173.24 171.01 1ugi s ASP 61 N -3.00 3.25 0.76 7.02 2.15 -1.21 -3.42 116.67 122.22 1ugi s ASP 61 Ca 0.67 1.49 -0.15 0.00 0.43 0.00 0.00 52.55 55.00 1ugi s ASP 61 Cb -0.21 -2.17 0.04 0.00 -0.30 0.00 0.00 42.92 40.28 1ugi s ASP 61 CO 0.61 -2.78 1.12 0.00 -0.17 0.00 0.00 175.17 173.96 1ugi n ALA 62 N -3.98 0.04 0.95 3.66 0.00 -1.26 -1.67 120.51 118.25 1ugi n ALA 62 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 53.44 53.32 1ugi n ALA 62 Cb 0.55 -2.21 0.14 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.57 1.79 -0.05 0.00 -0.04 -1.26 -4.87 135.00 128.00 1ugi n PRO 63 Ca 0.14 -1.11 -0.19 0.00 -0.04 0.00 0.00 63.50 62.30 1ugi n PRO 63 Cb 0.50 -1.29 -0.13 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.76 0.09 -5.51 0.54 4.81 -1.63 -3.48 114.58 111.17 1ugi h GLU 64 Ca 0.00 -0.16 -0.37 0.00 -0.13 0.00 0.00 59.36 58.70 1ugi h GLU 64 Cb 0.47 0.06 0.13 0.00 0.63 0.00 0.00 28.75 30.05 1ugi h GLU 64 CO 0.02 1.08 -0.64 0.66 -0.73 0.00 0.00 179.01 179.40 1ugi n TYR 65 N -4.34 -2.66 -2.84 0.92 4.01 -0.80 -4.94 117.16 106.51 1ugi n TYR 65 Ca -0.20 0.95 -0.41 0.00 -0.16 0.00 0.00 57.90 58.07 1ugi n TYR 65 Cb 0.68 -4.78 -0.04 0.00 -0.31 0.00 0.00 39.34 34.89 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 -6.16 4.37 0.24 -0.72 2.20 -1.26 -4.64 119.74 113.77 1ugi s LYS 66 Ca 0.51 1.14 -0.31 0.00 -0.36 0.00 0.00 55.97 56.94 1ugi s LYS 66 Cb -0.23 -3.54 -0.12 0.00 -1.51 0.00 0.00 37.83 32.43 1ugi s LYS 66 CO 0.68 -0.25 1.61 -2.30 -0.36 0.00 0.00 175.35 174.73 1ugi n PRO 67 N 4.85 2.57 0.00 4.03 -0.02 -1.26 -0.41 135.00 144.77 1ugi n PRO 67 Ca 0.05 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1ugi n PRO 67 Cb 0.49 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1ugi n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1ugi n TRP 68 N 2.86 0.00 -3.50 6.00 -0.00 0.93 -4.77 117.44 118.96 1ugi n TRP 68 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.50 1ugi n TRP 68 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.62 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 -1.92 -1.45 -0.08 5.87 0.00 -0.90 -0.96 121.76 122.31 1ugi s ALA 69 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1ugi s ALA 69 Cb 0.00 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1ugi s ALA 69 CO 0.00 -0.64 -0.06 -1.17 0.00 0.00 0.00 175.76 173.89 1ugi s LEU 70 N -2.40 1.17 -0.13 0.00 1.98 0.09 -0.29 118.68 119.10 1ugi s LEU 70 Ca -0.02 -0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.03 1ugi s LEU 70 Cb -0.00 -0.64 -0.01 0.00 0.66 0.00 0.00 46.19 46.20 1ugi s LEU 70 CO -0.08 -0.09 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.46 1ugi s VAL 71 N 1.36 2.86 -0.18 1.68 1.01 0.52 -0.86 120.40 126.78 1ugi s VAL 71 Ca -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1ugi s VAL 71 Cb -0.14 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1ugi s VAL 71 CO -0.03 0.53 -0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1ugi s ILE 72 N 0.45 3.56 -0.18 2.22 1.01 0.03 -0.45 121.20 127.85 1ugi s ILE 72 Ca -0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 1ugi s ILE 72 Cb -0.16 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1ugi s ILE 72 CO 0.05 0.46 -0.05 -1.58 0.00 0.00 0.00 174.94 173.82 1ugi s GLN 73 N 0.89 3.53 0.74 2.79 0.74 0.48 -0.88 119.66 127.96 1ugi s GLN 73 Ca -0.01 -0.58 -0.05 0.00 0.05 0.00 0.00 55.36 54.78 1ugi s GLN 73 Cb -0.15 -2.93 0.16 0.00 1.10 0.00 0.00 33.01 31.19 1ugi s GLN 73 CO 0.01 0.07 1.02 -0.40 -0.55 0.00 0.00 175.29 175.44 1ugi n ASP 74 N 4.02 0.92 0.00 6.67 5.68 0.17 -1.15 116.55 132.86 1ugi n ASP 74 Ca -0.18 -1.88 0.05 0.00 -0.50 0.00 0.00 54.79 52.28 1ugi n ASP 74 Cb 0.52 -0.70 0.23 0.00 -1.14 0.00 0.00 41.12 40.03 1ugi n ASP 74 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ugi n SER 75 N -3.17 0.00 -0.44 -1.12 3.41 -1.17 -0.53 113.62 110.60 1ugi n SER 75 Ca 0.15 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1ugi n SER 75 Cb 0.55 -0.44 0.38 0.00 -0.26 0.00 0.00 64.21 64.43 1ugi n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ugi n ASN 76 N -1.44 1.51 0.00 4.04 3.02 -1.26 -4.92 115.26 116.21 1ugi n ASN 76 Ca 0.03 -1.31 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 1ugi n ASN 76 Cb 0.11 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1ugi n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ugi n GLY 77 N 1.28 0.59 3.80 7.41 0.00 0.30 -5.03 105.19 113.54 1ugi n GLY 77 Ca 0.15 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.18 4.35 -0.09 1.61 2.02 -1.25 -4.80 118.70 120.35 1ugi s GLU 78 Ca 0.00 0.93 -0.03 0.00 0.02 0.00 0.00 54.97 55.89 1ugi s GLU 78 Cb 0.00 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 1ugi s GLU 78 CO 0.00 0.53 0.05 -0.80 0.02 0.00 0.00 175.26 175.06 1ugi s ASN 79 N -1.32 5.64 -0.18 -0.19 0.01 -1.26 -0.66 114.94 116.98 1ugi s ASN 79 Ca 0.36 0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.77 1ugi s ASN 79 Cb -0.20 -1.68 0.02 0.00 0.41 0.00 0.00 41.25 39.81 1ugi s ASN 79 CO 0.22 0.38 -0.18 -0.75 -1.51 0.00 0.00 177.10 175.27 1ugi s LYS 80 N -0.98 2.75 -0.10 -0.60 2.20 -0.06 -4.99 119.74 117.96 1ugi s LYS 80 Ca 0.14 -0.78 -0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1ugi s LYS 80 Cb -0.12 -2.46 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 1ugi s LYS 80 CO 0.04 -0.24 -0.09 0.42 -0.36 0.00 0.00 175.35 175.12 1ugi s ILE 81 N 1.34 3.48 -0.02 5.43 1.01 -1.26 -0.79 121.20 130.39 1ugi s ILE 81 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1ugi s ILE 81 Cb -0.13 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1ugi s ILE 81 CO -0.12 0.55 -0.14 -0.75 0.00 0.00 0.00 174.94 174.49 1ugi s LYS 82 N -0.23 1.22 0.13 2.79 2.20 -0.04 -5.00 119.74 120.81 1ugi s LYS 82 Ca 0.02 -0.49 -0.19 0.00 -0.36 0.00 0.00 55.97 54.96 1ugi s LYS 82 Cb -0.13 -1.15 -0.07 0.00 -1.51 0.00 0.00 37.83 34.97 1ugi s LYS 82 CO 0.03 0.26 0.62 -1.64 -0.36 0.00 0.00 175.35 174.26 1ugi s MET 83 N -0.18 4.21 0.00 4.03 -1.94 -1.26 -0.73 119.30 123.42 1ugi s MET 83 Ca 0.02 0.76 0.21 0.00 -1.71 0.00 0.00 55.69 54.98 1ugi s MET 83 Cb -0.07 -3.09 0.17 0.00 2.01 0.00 0.00 34.83 33.85 1ugi s MET 83 CO 0.00 0.54 1.18 1.28 -0.01 0.00 0.00 175.02 178.01