#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 0.00 0.40 3.42 4.05 -1.26 -3.42 115.26 118.44 1ugi n ASN 3 Ca 0.00 0.50 -0.18 0.00 0.45 0.00 0.00 54.58 55.35 1ugi n ASN 3 Cb 0.00 -0.50 -0.09 0.00 1.23 0.00 0.00 39.78 40.42 1ugi n ASN 3 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1ugi h LEU 4 N 0.00 -0.87 -1.56 1.20 3.38 -2.00 -2.71 115.31 112.75 1ugi h LEU 4 Ca 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ugi h LEU 4 Cb 0.37 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ugi h LEU 4 CO 0.00 -0.60 -0.05 0.28 0.09 0.00 0.00 178.44 178.15 1ugi h SER 5 N -0.99 0.20 0.81 -0.43 0.02 -1.95 -2.32 113.55 108.89 1ugi h SER 5 Ca -0.10 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.66 1ugi h SER 5 Cb 0.77 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1ugi h SER 5 CO 0.15 0.29 -0.76 0.44 -1.14 0.00 0.00 176.83 175.80 1ugi h ASP 6 N 0.21 0.00 -0.18 3.07 3.32 -1.68 0.54 116.42 121.70 1ugi h ASP 6 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ugi h ASP 6 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ugi h ASP 6 CO 0.01 0.76 0.02 0.40 -1.72 0.00 0.00 179.24 178.72 1ugi h ILE 7 N 0.00 1.23 0.00 0.35 2.04 -1.24 -0.30 117.51 119.59 1ugi h ILE 7 Ca -0.01 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 1ugi h ILE 7 Cb 1.38 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1ugi h ILE 7 CO 0.10 0.23 -0.37 0.40 0.00 0.00 0.00 178.15 178.51 1ugi h ILE 8 N 0.08 0.78 0.00 -0.67 2.04 -1.18 -1.16 117.51 117.40 1ugi h ILE 8 Ca 0.05 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 1ugi h ILE 8 Cb 0.33 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1ugi h ILE 8 CO 0.00 0.36 -0.22 -0.08 0.00 0.00 0.00 178.15 178.21 1ugi h GLU 9 N 0.00 0.00 0.04 2.37 4.81 0.17 -1.89 114.58 120.08 1ugi h GLU 9 Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1ugi h GLU 9 Cb 1.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1ugi h GLU 9 CO 0.05 0.22 -1.02 -0.22 -0.73 0.00 0.00 179.01 177.31 1ugi h LYS 10 N 0.00 0.16 -0.09 1.92 3.64 -0.43 0.46 116.57 122.23 1ugi h LYS 10 Ca -0.00 -0.23 -0.22 0.00 -1.27 0.00 0.00 60.65 58.93 1ugi h LYS 10 Cb 1.00 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1ugi h LYS 10 CO 0.03 1.05 -0.82 1.49 -2.27 0.00 0.00 179.45 178.93 1ugi h GLU 11 N 0.07 0.62 0.00 1.90 4.57 -1.05 -3.37 114.58 117.32 1ugi h GLU 11 Ca -0.06 -0.54 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 1ugi h GLU 11 Cb 1.72 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 1ugi h GLU 11 CO 0.15 1.16 -1.71 0.25 -1.18 0.00 0.00 179.01 177.69 1ugi n THR 12 N -3.87 0.00 -1.25 0.32 -2.24 -0.73 -4.98 114.28 101.52 1ugi n THR 12 Ca -0.07 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1ugi n THR 12 Cb 0.76 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.52 1.00 3.01 3.38 0.00 0.16 -4.98 105.19 109.28 1ugi n GLY 13 Ca -0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.49 0.42 -0.39 1.61 1.02 -1.20 -5.04 119.74 113.67 1ugi s LYS 14 Ca 0.00 -0.52 -0.20 0.00 0.02 0.00 0.00 55.97 55.27 1ugi s LYS 14 Cb 0.00 -0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.09 1ugi s LYS 14 CO 0.00 0.04 0.60 -0.65 -0.92 0.00 0.00 175.35 174.42 1ugi s GLN 15 N -1.06 3.48 0.31 1.68 -0.21 -1.26 -3.94 119.66 118.66 1ugi s GLN 15 Ca -0.07 -0.21 0.08 0.00 0.02 0.00 0.00 55.36 55.18 1ugi s GLN 15 Cb -0.07 -3.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 1ugi s GLN 15 CO -0.00 -0.82 0.16 -0.51 -2.12 0.00 0.00 175.29 171.99 1ugi s LEU 16 N 2.64 3.40 -0.06 2.90 1.43 -1.26 -5.09 118.68 122.64 1ugi s LEU 16 Ca 0.21 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 1ugi s LEU 16 Cb -0.15 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1ugi s LEU 16 CO 0.16 -0.22 1.19 -0.69 0.23 0.00 0.00 176.35 177.02 1ugi s VAL 17 N -2.34 4.29 -0.29 -1.59 1.01 -1.26 -5.01 120.40 115.20 1ugi s VAL 17 Ca 0.37 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.82 1ugi s VAL 17 Cb -0.05 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1ugi s VAL 17 CO 0.23 -0.00 0.26 -0.63 0.00 0.00 0.00 175.10 174.96 1ugi s ILE 18 N 2.22 5.26 0.54 2.22 -1.09 -1.26 -4.28 121.20 124.81 1ugi s ILE 18 Ca 0.55 0.19 -0.18 0.00 -2.23 0.00 0.00 60.65 58.99 1ugi s ILE 18 Cb -0.24 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1ugi s ILE 18 CO 0.22 0.14 1.05 -1.10 -1.23 0.00 0.00 174.94 174.02 1ugi s GLN 19 N 1.86 3.54 0.31 2.79 -1.52 -0.24 -4.95 119.66 121.46 1ugi s GLN 19 Ca 0.09 1.28 -0.28 0.00 -1.95 0.00 0.00 55.36 54.50 1ugi s GLN 19 Cb -0.16 -2.06 -0.13 0.00 -0.22 0.00 0.00 33.01 30.44 1ugi s GLN 19 CO 0.11 -0.64 1.14 0.39 -0.25 0.00 0.00 175.29 176.04 1ugi n GLU 20 N -1.55 1.70 -2.12 2.91 -0.58 -1.26 -4.20 120.64 115.54 1ugi n GLU 20 Ca 0.09 0.60 -0.36 0.00 -0.42 0.00 0.00 57.16 57.07 1ugi n GLU 20 Cb 0.53 -2.07 0.02 0.00 -0.57 0.00 0.00 31.44 29.35 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 -0.42 5.51 -0.08 1.62 1.04 -1.26 -4.79 113.70 115.32 1ugi s SER 21 Ca 0.58 2.33 0.04 0.00 0.48 0.00 0.00 55.95 59.38 1ugi s SER 21 Cb -0.64 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 62.88 1ugi s SER 21 CO 0.61 -1.37 -0.22 -0.63 0.98 0.00 0.00 173.24 172.61 1ugi s ILE 22 N -1.63 1.85 0.17 -1.02 1.01 -0.95 -4.93 121.20 115.71 1ugi s ILE 22 Ca 0.74 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 1ugi s ILE 22 Cb -0.28 -1.60 -0.08 0.00 0.01 0.00 0.00 42.46 40.51 1ugi s ILE 22 CO 0.32 0.52 0.77 -0.22 0.00 0.00 0.00 174.94 176.33 1ugi s LEU 23 N 0.22 4.57 0.00 2.97 0.20 -1.26 -0.84 118.68 124.54 1ugi s LEU 23 Ca -0.13 1.63 0.05 0.00 0.69 0.00 0.00 54.13 56.38 1ugi s LEU 23 Cb -0.16 -3.33 -0.02 0.00 -0.43 0.00 0.00 46.19 42.25 1ugi s LEU 23 CO 0.06 0.19 -0.17 -0.04 -0.29 0.00 0.00 176.35 176.10 1ugi s MET 24 N -1.24 1.31 0.45 1.98 -1.94 0.98 -4.97 119.30 115.87 1ugi s MET 24 Ca 0.37 -0.67 -0.20 0.00 -1.71 0.00 0.00 55.69 53.47 1ugi s MET 24 Cb -0.22 -1.30 -0.10 0.00 2.01 0.00 0.00 34.83 35.22 1ugi s MET 24 CO 0.26 0.35 0.98 -0.51 -0.01 0.00 0.00 175.02 176.09 1ugi s LEU 25 N -0.59 3.89 0.30 -0.03 1.43 -1.26 -1.32 118.68 121.10 1ugi s LEU 25 Ca 0.06 1.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 1ugi s LEU 25 Cb -0.07 -4.55 0.75 0.00 0.03 0.00 0.00 46.19 42.35 1ugi s LEU 25 CO -0.00 -0.52 1.77 -0.65 0.23 0.00 0.00 176.35 177.17 1ugi h PRO 26 N 1.73 0.70 -0.01 1.29 0.11 -1.88 -0.18 132.00 133.76 1ugi h PRO 26 Ca -0.49 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 1ugi h PRO 26 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1ugi h PRO 26 CO 0.60 0.46 -0.58 0.93 -0.21 0.00 0.00 178.00 179.20 1ugi h GLU 27 N 0.72 0.04 -0.36 1.05 3.07 -1.92 0.12 114.58 117.31 1ugi h GLU 27 Ca 0.58 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.35 1ugi h GLU 27 Cb 0.94 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1ugi h GLU 27 CO -0.40 0.61 -0.03 0.93 -1.40 0.00 0.00 179.01 178.72 1ugi h GLU 28 N 0.03 0.65 -0.66 2.33 5.08 -1.45 -2.61 114.58 117.96 1ugi h GLU 28 Ca -0.01 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1ugi h GLU 28 Cb 1.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1ugi h GLU 28 CO 0.08 0.78 0.43 0.28 -1.00 0.00 0.00 179.01 179.58 1ugi h VAL 29 N 0.45 1.16 -0.51 3.13 2.07 -0.99 -2.69 116.25 118.88 1ugi h VAL 29 Ca 0.10 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1ugi h VAL 29 Cb 0.51 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1ugi h VAL 29 CO 0.02 0.16 0.34 -0.08 0.02 0.00 0.00 177.57 178.03 1ugi h GLU 30 N 0.88 0.47 -0.28 1.57 4.81 -0.58 -0.29 114.58 121.16 1ugi h GLU 30 Ca 0.24 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 1ugi h GLU 30 Cb -0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1ugi h GLU 30 CO -0.06 0.31 -0.46 1.49 -0.73 0.00 0.00 179.01 179.56 1ugi h GLU 31 N 0.49 0.73 -0.19 1.92 4.57 -1.14 -0.22 114.58 120.74 1ugi h GLU 31 Ca 0.21 -0.42 -0.14 0.00 -1.18 0.00 0.00 59.36 57.84 1ugi h GLU 31 Cb 0.24 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1ugi h GLU 31 CO -0.06 1.04 -0.41 0.28 -1.18 0.00 0.00 179.01 178.68 1ugi h VAL 32 N 0.58 1.33 0.00 0.32 2.07 -1.11 -3.40 116.25 116.04 1ugi h VAL 32 Ca 0.03 -1.64 -0.33 0.00 0.82 0.00 0.00 66.70 65.58 1ugi h VAL 32 Cb 1.02 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1ugi h VAL 32 CO 0.10 0.51 -2.23 -0.38 0.02 0.00 0.00 177.57 175.59 1ugi n ILE 33 N -4.24 1.23 -0.45 4.57 2.08 -0.22 -5.00 119.36 117.32 1ugi n ILE 33 Ca -0.06 -0.68 0.00 0.00 0.56 0.00 0.00 62.75 62.57 1ugi n ILE 33 Cb 0.54 -0.73 0.00 0.00 -0.75 0.00 0.00 39.64 38.70 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 2.05 0.74 3.24 7.39 0.00 -0.10 -5.04 105.19 113.47 1ugi n GLY 34 Ca -0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.66 2.25 -0.24 1.61 -0.87 -1.26 -5.07 114.94 108.70 1ugi s ASN 35 Ca 0.00 -0.61 -0.06 0.00 -1.57 0.00 0.00 52.86 50.63 1ugi s ASN 35 Cb 0.00 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.25 41.08 1ugi s ASN 35 CO 0.00 0.05 0.02 -0.75 -2.57 0.00 0.00 177.10 173.86 1ugi s LYS 36 N -1.61 3.47 0.67 -0.60 2.20 -1.26 -3.69 119.74 118.93 1ugi s LYS 36 Ca 0.05 -0.58 -0.14 0.00 -0.36 0.00 0.00 55.97 54.93 1ugi s LYS 36 Cb -0.09 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1ugi s LYS 36 CO 0.03 -0.22 1.10 -1.25 -0.36 0.00 0.00 175.35 174.64 1ugi s PRO 37 N 1.55 2.81 0.20 4.03 0.04 -1.26 -4.93 135.00 137.44 1ugi s PRO 37 Ca 0.06 1.31 0.26 0.00 0.04 0.00 0.00 61.00 62.66 1ugi s PRO 37 Cb -0.15 -1.96 0.83 0.00 0.04 0.00 0.00 34.50 33.26 1ugi s PRO 37 CO 0.01 -1.23 1.78 -0.85 0.04 0.00 0.00 177.00 176.75 1ugi n GLU 38 N -2.55 0.25 -4.06 4.56 0.28 -1.26 -4.82 120.64 113.04 1ugi n GLU 38 Ca 0.10 0.21 -0.16 0.00 -0.16 0.00 0.00 57.16 57.15 1ugi n GLU 38 Cb 0.52 -1.80 -0.05 0.00 1.43 0.00 0.00 31.44 31.55 1ugi n GLU 38 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ugi n SER 39 N -2.24 -1.13 -4.57 -1.84 3.41 -1.26 -5.07 113.62 100.92 1ugi n SER 39 Ca 0.06 -2.99 -0.37 0.00 -0.26 0.00 0.00 58.87 55.30 1ugi n SER 39 Cb 0.43 2.23 0.06 0.00 -0.26 0.00 0.00 64.21 66.66 1ugi n SER 39 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ugi n ASP 40 N -1.65 0.14 -4.42 4.04 8.00 -1.26 -4.45 116.55 116.94 1ugi n ASP 40 Ca 0.03 0.75 -0.31 0.00 0.71 0.00 0.00 54.79 55.97 1ugi n ASP 40 Cb 0.59 -1.33 -0.13 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.64 2.62 -0.12 0.53 -1.09 -0.44 -3.74 121.20 117.33 1ugi s ILE 41 Ca 0.74 -1.14 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1ugi s ILE 41 Cb -0.40 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.39 1ugi s ILE 41 CO 0.49 0.41 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.85 1ugi s LEU 42 N -1.19 3.51 -0.26 2.97 1.43 0.41 -0.01 118.68 125.53 1ugi s LEU 42 Ca 0.13 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 1ugi s LEU 42 Cb -0.10 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1ugi s LEU 42 CO 0.03 0.28 0.14 -0.69 0.23 0.00 0.00 176.35 176.35 1ugi s VAL 43 N -0.30 4.98 -0.32 -1.59 1.01 -0.02 -0.69 120.40 123.47 1ugi s VAL 43 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ugi s VAL 43 Cb -0.12 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1ugi s VAL 43 CO 0.02 0.29 0.06 -1.00 0.00 0.00 0.00 175.10 174.47 1ugi s HIS 44 N 1.60 3.27 -0.16 5.22 0.09 0.75 -2.23 115.29 123.83 1ugi s HIS 44 Ca 0.07 -1.69 -0.03 0.00 -0.00 0.00 0.00 55.06 53.40 1ugi s HIS 44 Cb -0.15 -2.24 -0.02 0.00 -0.00 0.00 0.00 32.58 30.16 1ugi s HIS 44 CO 0.08 -0.78 -0.05 0.99 -0.00 0.00 0.00 174.74 174.98 1ugi s THR 45 N 1.32 3.71 -0.10 1.30 2.01 -1.26 -0.65 115.64 121.97 1ugi s THR 45 Ca -0.03 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1ugi s THR 45 Cb -0.20 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.69 1ugi s THR 45 CO 0.01 0.48 -0.21 0.00 -0.69 0.00 0.00 174.62 174.21 1ugi s ALA 46 N 0.56 1.98 -0.20 7.40 0.00 -0.20 -1.08 121.76 130.23 1ugi s ALA 46 Ca -0.04 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 1ugi s ALA 46 Cb -0.15 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1ugi s ALA 46 CO 0.03 0.17 0.47 -0.47 0.00 0.00 0.00 175.76 175.96 1ugi s TYR 47 N 0.55 3.37 -0.68 0.00 5.04 -1.26 -0.76 117.35 123.61 1ugi s TYR 47 Ca -0.15 0.71 -0.13 0.00 -2.44 0.00 0.00 57.07 55.06 1ugi s TYR 47 Cb -0.17 -2.62 0.18 0.00 0.35 0.00 0.00 41.96 39.70 1ugi s TYR 47 CO 0.05 -0.07 0.61 0.34 -1.34 0.00 0.00 175.55 175.13 1ugi s ASP 48 N 1.13 6.31 0.40 4.32 -1.08 0.50 -4.84 116.67 123.41 1ugi s ASP 48 Ca 0.22 -2.37 0.11 0.00 -0.52 0.00 0.00 52.55 49.99 1ugi s ASP 48 Cb -0.15 -2.15 0.90 0.00 -1.46 0.00 0.00 42.92 40.06 1ugi s ASP 48 CO 0.09 -0.64 1.95 -0.08 0.52 0.00 0.00 175.17 177.00 1ugi h GLU 49 N 8.09 0.56 0.00 4.34 4.81 -1.95 0.74 114.58 131.15 1ugi h GLU 49 Ca -0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1ugi h GLU 49 Cb 1.05 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1ugi h GLU 49 CO 0.84 0.37 -0.14 0.66 -0.73 0.00 0.00 179.01 180.01 1ugi h SER 50 N 0.57 0.00 0.00 1.04 4.64 -1.95 -2.68 113.55 115.17 1ugi h SER 50 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1ugi h SER 50 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1ugi h SER 50 CO -0.11 0.14 -0.00 0.35 -0.87 0.00 0.00 176.83 176.34 1ugi n THR 51 N -3.49 1.00 -4.21 2.95 -2.24 -0.61 -4.99 114.28 102.68 1ugi n THR 51 Ca -0.01 -1.02 -0.32 0.00 -2.27 0.00 0.00 64.05 60.43 1ugi n THR 51 Cb 0.30 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.98 -4.35 3.42 2.03 0.15 -4.79 116.55 111.51 1ugi n ASP 52 Ca 0.01 -1.12 -0.28 0.00 0.52 0.00 0.00 54.79 53.93 1ugi n ASP 52 Cb 0.29 -2.37 -0.13 0.00 -0.72 0.00 0.00 41.12 38.19 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 -6.98 1.38 -0.22 -0.67 2.02 -0.85 -3.36 118.70 110.02 1ugi s GLU 53 Ca 0.32 -1.24 -0.13 0.00 0.02 0.00 0.00 54.97 53.94 1ugi s GLU 53 Cb -0.18 -1.76 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 1ugi s GLU 53 CO 0.95 0.42 0.25 -0.80 0.02 0.00 0.00 175.26 176.10 1ugi s ASN 54 N -1.85 6.26 -0.26 -0.19 -0.87 0.14 -0.37 114.94 117.79 1ugi s ASN 54 Ca 0.11 0.30 -0.07 0.00 -1.57 0.00 0.00 52.86 51.63 1ugi s ASN 54 Cb -0.10 -2.15 -0.01 0.00 -0.02 0.00 0.00 41.25 38.96 1ugi s ASN 54 CO 0.05 0.03 0.07 -0.69 -2.57 0.00 0.00 177.10 173.98 1ugi s VAL 55 N 1.03 4.13 -0.30 1.60 1.01 0.07 -0.91 120.40 127.03 1ugi s VAL 55 Ca 0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1ugi s VAL 55 Cb -0.14 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1ugi s VAL 55 CO 0.05 0.25 0.07 -0.04 0.00 0.00 0.00 175.10 175.44 1ugi s MET 56 N 1.57 3.00 -0.27 2.72 -1.94 0.68 -1.03 119.30 124.03 1ugi s MET 56 Ca 0.05 -0.91 -0.13 0.00 -1.71 0.00 0.00 55.69 52.99 1ugi s MET 56 Cb -0.16 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 1ugi s MET 56 CO 0.03 -0.47 0.26 -1.17 -0.01 0.00 0.00 175.02 173.66 1ugi s LEU 57 N 1.47 4.04 -0.25 -0.03 2.96 0.18 -0.14 118.68 126.91 1ugi s LEU 57 Ca 0.02 0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.93 1ugi s LEU 57 Cb -0.17 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1ugi s LEU 57 CO 0.02 -0.09 0.29 -0.76 -1.32 0.00 0.00 176.35 174.49 1ugi s LEU 58 N 1.78 4.07 0.37 -0.68 1.02 0.12 -0.18 118.68 125.19 1ugi s LEU 58 Ca 0.10 0.22 0.07 0.00 0.02 0.00 0.00 54.13 54.54 1ugi s LEU 58 Cb -0.16 -2.30 -0.07 0.00 0.02 0.00 0.00 46.19 43.68 1ugi s LEU 58 CO 0.10 -0.08 -0.00 0.42 0.02 0.00 0.00 176.35 176.81 1ugi s THR 59 N 1.62 1.85 1.10 5.49 -4.23 0.13 -0.51 115.64 121.10 1ugi s THR 59 Ca 0.12 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 58.42 1ugi s THR 59 Cb -0.15 -2.86 0.24 0.00 1.34 0.00 0.00 72.50 71.07 1ugi s THR 59 CO 0.09 -0.05 1.14 -0.94 -0.54 0.00 0.00 174.62 174.31 1ugi s SER 60 N -3.63 1.84 0.86 3.99 1.04 0.65 -0.44 113.70 118.00 1ugi s SER 60 Ca 0.34 0.70 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 1ugi s SER 60 Cb 0.08 -1.03 0.12 0.00 0.10 0.00 0.00 66.02 65.29 1ugi s SER 60 CO 0.17 -3.56 0.72 -0.67 0.98 0.00 0.00 173.24 170.87 1ugi n ASP 61 N -4.40 0.31 -4.72 7.02 -0.08 -1.25 -3.80 116.55 109.64 1ugi n ASP 61 Ca 0.11 -1.42 -0.36 0.00 -1.51 0.00 0.00 54.79 51.62 1ugi n ASP 61 Cb 0.59 -0.53 0.09 0.00 2.34 0.00 0.00 41.12 43.61 1ugi n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ugi s ALA 62 N -3.65 2.21 -1.07 -1.67 0.00 -1.26 -1.57 121.76 114.75 1ugi s ALA 62 Ca 0.43 1.11 0.24 0.00 0.00 0.00 0.00 51.96 53.74 1ugi s ALA 62 Cb -0.02 -3.54 0.41 0.00 0.00 0.00 0.00 23.12 19.98 1ugi s ALA 62 CO 0.29 -1.82 1.35 -0.35 0.00 0.00 0.00 175.76 175.23 1ugi n PRO 63 N -2.33 0.08 0.08 0.00 -0.04 -1.26 -4.84 135.00 126.69 1ugi n PRO 63 Ca 0.15 -0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 1ugi n PRO 63 Cb 0.49 -1.50 -0.08 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 0.13 0.42 -6.55 0.54 3.07 -1.90 -3.47 114.58 106.82 1ugi h GLU 64 Ca 0.00 -0.51 -0.51 0.00 -0.50 0.00 0.00 59.36 57.84 1ugi h GLU 64 Cb 0.50 0.16 -0.09 0.00 -0.84 0.00 0.00 28.75 28.48 1ugi h GLU 64 CO 0.00 1.17 -0.87 0.66 -1.40 0.00 0.00 179.01 178.57 1ugi n TYR 65 N -3.72 -1.69 -2.22 4.33 4.01 -0.61 -4.88 117.16 112.39 1ugi n TYR 65 Ca -0.08 0.76 -0.43 0.00 -0.16 0.00 0.00 57.90 58.00 1ugi n TYR 65 Cb 0.89 -3.57 -0.02 0.00 -0.31 0.00 0.00 39.34 36.33 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 -6.65 4.13 0.30 -0.72 2.20 -1.26 -4.55 119.74 113.19 1ugi s LYS 66 Ca 0.19 1.84 -0.29 0.00 -0.36 0.00 0.00 55.97 57.36 1ugi s LYS 66 Cb -0.10 -3.90 -0.13 0.00 -1.51 0.00 0.00 37.83 32.19 1ugi s LYS 66 CO 0.90 -0.87 1.26 -2.30 -0.36 0.00 0.00 175.35 173.97 1ugi n PRO 67 N 7.01 1.92 0.00 4.03 -0.02 -1.26 -0.26 135.00 146.42 1ugi n PRO 67 Ca 0.16 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1ugi n PRO 67 Cb 0.44 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.72 0.00 -3.44 6.00 -0.00 0.34 -4.79 117.44 116.27 1ugi n TRP 68 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.45 1ugi n TRP 68 Cb 0.34 0.07 -0.02 0.00 -0.00 0.00 0.00 31.31 31.69 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 -1.66 -1.58 -0.16 5.87 0.00 -1.07 -0.67 121.76 122.49 1ugi s ALA 69 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1ugi s ALA 69 Cb 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1ugi s ALA 69 CO 0.00 -0.73 -0.07 -0.51 0.00 0.00 0.00 175.76 174.45 1ugi s LEU 70 N -2.64 3.05 -0.21 0.00 1.43 0.14 -0.71 118.68 119.75 1ugi s LEU 70 Ca 0.00 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1ugi s LEU 70 Cb -0.01 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1ugi s LEU 70 CO -0.11 0.14 -0.04 -0.69 0.23 0.00 0.00 176.35 175.88 1ugi s VAL 71 N 0.50 3.45 -0.25 -1.59 1.01 0.80 -0.55 120.40 123.75 1ugi s VAL 71 Ca -0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1ugi s VAL 71 Cb -0.15 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1ugi s VAL 71 CO 0.03 0.44 0.02 -0.63 0.00 0.00 0.00 175.10 174.96 1ugi s ILE 72 N 1.27 3.70 -0.14 2.22 1.09 0.20 -0.23 121.20 129.31 1ugi s ILE 72 Ca 0.03 -0.56 -0.01 0.00 -1.10 0.00 0.00 60.65 59.01 1ugi s ILE 72 Cb -0.14 -2.80 -0.02 0.00 -1.06 0.00 0.00 42.46 38.44 1ugi s ILE 72 CO -0.01 0.26 -0.10 -1.58 -0.10 0.00 0.00 174.94 173.41 1ugi s GLN 73 N 1.49 3.46 0.61 2.79 0.74 -0.08 -0.75 119.66 127.92 1ugi s GLN 73 Ca 0.04 -0.64 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 1ugi s GLN 73 Cb -0.16 -2.73 0.12 0.00 1.10 0.00 0.00 33.01 31.35 1ugi s GLN 73 CO -0.00 0.19 0.84 -0.40 -0.55 0.00 0.00 175.29 175.37 1ugi n ASP 74 N 3.61 1.03 0.28 6.67 5.68 -0.28 -0.69 116.55 132.85 1ugi n ASP 74 Ca -0.18 -1.89 0.12 0.00 -0.50 0.00 0.00 54.79 52.34 1ugi n ASP 74 Cb 0.53 -0.55 0.79 0.00 -1.14 0.00 0.00 41.12 40.75 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 -0.56 0.00 -0.37 -1.12 4.64 -1.86 -1.17 113.55 113.11 1ugi h SER 75 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1ugi h SER 75 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1ugi h SER 75 CO 0.29 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.85 1ugi n ASN 76 N -4.09 2.36 -1.70 4.97 3.02 -1.26 -4.88 115.26 113.67 1ugi n ASN 76 Ca -0.03 -2.10 -0.15 0.00 -0.03 0.00 0.00 54.58 52.27 1ugi n ASN 76 Cb 0.10 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.95 -0.22 3.77 7.41 0.00 -0.44 -5.00 105.19 111.66 1ugi n GLY 77 Ca 0.13 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.79 4.04 -0.00 1.61 2.02 -1.26 -4.85 118.70 115.47 1ugi s GLU 78 Ca 0.02 -0.02 -0.14 0.00 0.02 0.00 0.00 54.97 54.85 1ugi s GLU 78 Cb -0.01 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.81 1ugi s GLU 78 CO 0.03 0.41 0.40 -0.80 0.02 0.00 0.00 175.26 175.31 1ugi s ASN 79 N -0.00 6.79 -0.16 -0.19 0.02 -1.26 -1.12 114.94 119.02 1ugi s ASN 79 Ca 0.14 0.94 0.02 0.00 -1.02 0.00 0.00 52.86 52.94 1ugi s ASN 79 Cb -0.12 -2.24 0.01 0.00 0.02 0.00 0.00 41.25 38.91 1ugi s ASN 79 CO 0.03 0.33 -0.20 -0.75 0.02 0.00 0.00 177.10 176.53 1ugi s LYS 80 N -1.08 3.05 -0.16 -0.60 2.20 0.07 -4.96 119.74 118.26 1ugi s LYS 80 Ca 0.23 -0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1ugi s LYS 80 Cb -0.16 -2.52 -0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1ugi s LYS 80 CO 0.13 -0.08 -0.04 0.42 -0.36 0.00 0.00 175.35 175.42 1ugi s ILE 81 N 0.99 3.84 -0.28 5.43 1.01 -1.26 -0.63 121.20 130.31 1ugi s ILE 81 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1ugi s ILE 81 Cb -0.15 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.67 1ugi s ILE 81 CO -0.05 0.49 -0.01 -0.54 0.00 0.00 0.00 174.94 174.83 1ugi s LYS 82 N 0.41 2.74 0.19 2.79 1.02 0.29 -4.99 119.74 122.19 1ugi s LYS 82 Ca -0.04 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 1ugi s LYS 82 Cb -0.14 -3.13 -0.08 0.00 -0.52 0.00 0.00 37.83 33.96 1ugi s LYS 82 CO 0.03 -0.49 1.07 -1.64 -0.92 0.00 0.00 175.35 173.40 1ugi s MET 83 N 1.34 4.64 0.00 1.68 -1.94 -1.26 -0.68 119.30 123.07 1ugi s MET 83 Ca -0.01 1.68 0.23 0.00 -1.71 0.00 0.00 55.69 55.87 1ugi s MET 83 Cb -0.18 -3.28 0.18 0.00 2.01 0.00 0.00 34.83 33.57 1ugi s MET 83 CO -0.02 0.16 1.23 1.28 -0.01 0.00 0.00 175.02 177.66