#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ugi h ASN 3 N 0.00 0.00 0.09 3.42 4.21 -2.03 -2.32 115.58 118.94 2ugi h ASN 3 Ca 0.00 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.17 2ugi h ASN 3 Cb 0.00 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 2ugi h ASN 3 CO 0.00 0.00 -1.90 0.18 -1.29 0.00 0.00 177.43 174.42 2ugi n LEU 4 N -2.75 2.49 -0.23 1.61 4.77 -1.26 -3.77 117.00 117.85 2ugi n LEU 4 Ca -0.01 0.23 -0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2ugi n LEU 4 Cb 0.17 -1.07 0.11 0.00 -2.33 0.00 0.00 43.42 40.30 2ugi n LEU 4 CO 0.20 0.74 1.07 0.28 -1.33 0.00 0.00 177.39 178.35 2ugi h SER 5 N -0.18 0.48 -0.93 -1.43 0.02 -1.80 -0.23 113.55 109.49 2ugi h SER 5 Ca -0.43 0.05 0.13 0.00 -0.84 0.00 0.00 61.79 60.70 2ugi h SER 5 Cb 1.87 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 64.29 2ugi h SER 5 CO 0.00 0.30 0.59 0.44 -1.14 0.00 0.00 176.83 177.02 2ugi h ASP 6 N 0.62 0.77 -0.55 3.07 3.32 -1.58 0.25 116.42 122.32 2ugi h ASP 6 Ca 0.32 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 2ugi h ASP 6 Cb 0.28 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2ugi h ASP 6 CO -0.23 0.41 -0.05 0.40 -1.72 0.00 0.00 179.24 178.04 2ugi h ILE 7 N 0.83 1.27 -0.26 0.35 2.04 -1.14 -1.68 117.51 118.91 2ugi h ILE 7 Ca 0.46 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 2ugi h ILE 7 Cb 0.59 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2ugi h ILE 7 CO -0.22 0.42 -0.22 0.40 0.00 0.00 0.00 178.15 178.53 2ugi h ILE 8 N 0.88 1.31 -0.68 -0.67 2.04 -0.79 -2.76 117.51 116.83 2ugi h ILE 8 Ca 0.15 -1.37 0.07 0.00 1.00 0.00 0.00 64.86 64.70 2ugi h ILE 8 Cb 0.61 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 2ugi h ILE 8 CO 0.04 0.43 0.37 -0.08 0.00 0.00 0.00 178.15 178.91 2ugi h GLU 9 N 0.33 0.66 -0.26 2.37 4.81 -0.39 -0.37 114.58 121.73 2ugi h GLU 9 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2ugi h GLU 9 Cb 0.77 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2ugi h GLU 9 CO 0.06 0.44 0.13 -0.22 -0.73 0.00 0.00 179.01 178.68 2ugi h LYS 10 N 0.68 0.38 0.00 1.92 3.64 -1.29 0.25 116.57 122.15 2ugi h LYS 10 Ca 0.31 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 2ugi h LYS 10 Cb 0.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2ugi h LYS 10 CO -0.20 0.37 -0.39 0.93 -2.27 0.00 0.00 179.45 177.90 2ugi h GLU 11 N 0.29 0.00 0.00 1.90 4.39 -1.16 -3.39 114.58 116.62 2ugi h GLU 11 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2ugi h GLU 11 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2ugi h GLU 11 CO -0.01 0.39 -0.36 0.25 -1.16 0.00 0.00 179.01 178.11 2ugi n THR 12 N -3.23 0.00 0.00 1.13 -2.24 -0.19 -5.03 114.28 104.72 2ugi n THR 12 Ca 0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2ugi n THR 12 Cb 0.66 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2ugi n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ugi n GLY 13 N 1.31 2.72 3.88 3.38 0.00 0.88 -5.02 105.19 112.33 2ugi n GLY 13 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2ugi n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ugi s LYS 14 N -0.42 3.75 -0.29 1.61 -2.85 -1.26 -4.92 119.74 115.36 2ugi s LYS 14 Ca 0.00 0.19 -0.04 0.00 -1.00 0.00 0.00 55.97 55.12 2ugi s LYS 14 Cb 0.00 -2.67 0.03 0.00 -2.06 0.00 0.00 37.83 33.13 2ugi s LYS 14 CO 0.00 0.31 0.03 -0.65 0.10 0.00 0.00 175.35 175.14 2ugi s GLN 15 N -2.93 2.73 0.27 1.78 -0.21 -1.26 -3.27 119.66 116.77 2ugi s GLN 15 Ca 0.46 -1.08 0.06 0.00 0.02 0.00 0.00 55.36 54.82 2ugi s GLN 15 Cb -0.11 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.60 2ugi s GLN 15 CO 0.23 -0.53 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.32 2ugi s LEU 16 N 1.36 2.40 -0.23 2.90 1.43 -1.26 -5.10 118.68 120.18 2ugi s LEU 16 Ca -0.01 -1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 51.81 2ugi s LEU 16 Cb -0.18 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 2ugi s LEU 16 CO -0.00 -0.39 0.10 -0.69 0.23 0.00 0.00 176.35 175.60 2ugi s VAL 17 N -3.13 4.75 0.19 -1.59 1.01 -1.26 -4.76 120.40 115.61 2ugi s VAL 17 Ca 0.29 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 2ugi s VAL 17 Cb 0.04 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 2ugi s VAL 17 CO 0.11 0.36 1.55 -0.63 0.00 0.00 0.00 175.10 176.48 2ugi s ILE 18 N 1.21 2.58 -0.01 2.22 -1.09 -1.26 -4.62 121.20 120.22 2ugi s ILE 18 Ca 0.05 0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 58.90 2ugi s ILE 18 Cb -0.14 -3.28 -0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2ugi s ILE 18 CO 0.04 0.04 -0.01 1.56 -1.23 0.00 0.00 174.94 175.35 2ugi h GLN 19 N 6.29 0.00 -4.28 2.79 1.08 -1.08 -3.49 115.11 116.41 2ugi h GLN 19 Ca -0.44 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.61 2ugi h GLN 19 Cb 1.21 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.47 2ugi h GLN 19 CO 0.88 0.00 -0.69 -1.21 -0.95 0.00 0.00 178.83 176.86 2ugi s GLU 20 N -1.09 0.59 -0.21 1.46 8.01 -1.26 -4.97 118.70 121.22 2ugi s GLU 20 Ca -0.01 -1.10 0.01 0.00 0.01 0.00 0.00 54.97 53.88 2ugi s GLU 20 Cb 0.00 0.09 0.03 0.00 -4.31 0.00 0.00 34.13 29.94 2ugi s GLU 20 CO 0.01 -0.07 -0.14 -1.12 0.01 0.00 0.00 175.26 173.94 2ugi s SER 21 N -2.59 3.72 -0.11 -0.19 0.01 -1.26 -2.39 113.70 110.90 2ugi s SER 21 Ca 0.03 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 56.47 2ugi s SER 21 Cb 0.03 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2ugi s SER 21 CO -0.07 -0.07 -0.23 -0.63 0.41 0.00 0.00 173.24 172.65 2ugi s ILE 22 N 1.26 2.12 0.34 1.44 1.01 -0.84 -4.92 121.20 121.61 2ugi s ILE 22 Ca 0.01 -0.99 -0.23 0.00 0.00 0.00 0.00 60.65 59.44 2ugi s ILE 22 Cb -0.15 -1.81 -0.10 0.00 0.01 0.00 0.00 42.46 40.40 2ugi s ILE 22 CO -0.09 0.56 0.90 -0.22 0.00 0.00 0.00 174.94 176.09 2ugi s LEU 23 N 0.41 4.19 -0.00 2.97 2.96 -1.26 -1.13 118.68 126.81 2ugi s LEU 23 Ca -0.17 1.69 -0.02 0.00 -0.22 0.00 0.00 54.13 55.41 2ugi s LEU 23 Cb -0.18 -4.14 -0.00 0.00 0.50 0.00 0.00 46.19 42.38 2ugi s LEU 23 CO 0.07 -0.16 0.04 -0.04 -1.32 0.00 0.00 176.35 174.95 2ugi s MET 24 N -2.48 0.21 0.67 1.98 -1.94 -0.73 -4.97 119.30 112.04 2ugi s MET 24 Ca 0.53 -0.21 -0.11 0.00 -1.71 0.00 0.00 55.69 54.19 2ugi s MET 24 Cb -0.15 0.08 -0.01 0.00 2.01 0.00 0.00 34.83 36.77 2ugi s MET 24 CO 0.19 -0.04 1.07 -0.51 -0.01 0.00 0.00 175.02 175.73 2ugi s LEU 25 N -0.65 3.02 0.23 -0.03 1.43 -1.26 -2.00 118.68 119.42 2ugi s LEU 25 Ca -0.07 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.18 2ugi s LEU 25 Cb -0.04 -4.12 0.21 0.00 0.03 0.00 0.00 46.19 42.26 2ugi s LEU 25 CO -0.00 -1.17 1.91 -0.65 0.23 0.00 0.00 176.35 176.67 2ugi h PRO 26 N -0.53 1.17 -0.20 1.29 0.11 -1.86 -2.85 132.00 129.13 2ugi h PRO 26 Ca -0.45 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2ugi h PRO 26 Cb 1.23 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2ugi h PRO 26 CO 0.63 0.77 -0.14 0.93 -0.21 0.00 0.00 178.00 179.98 2ugi h GLU 27 N 1.21 0.32 -0.25 1.05 3.07 -1.93 -2.39 114.58 115.66 2ugi h GLU 27 Ca 0.33 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 58.92 2ugi h GLU 27 Cb -0.14 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 2ugi h GLU 27 CO -0.07 0.47 -0.56 0.93 -1.40 0.00 0.00 179.01 178.39 2ugi h GLU 28 N 0.30 0.76 -0.00 2.33 5.08 -1.90 -3.26 114.58 117.90 2ugi h GLU 28 Ca 0.06 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2ugi h GLU 28 Cb 0.44 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ugi h GLU 28 CO 0.03 1.11 -0.33 1.55 -1.00 0.00 0.00 179.01 180.37 2ugi n VAL 29 N -3.99 0.00 -0.24 3.13 3.14 -1.12 -4.31 118.33 114.94 2ugi n VAL 29 Ca -0.04 -0.05 0.03 0.00 -2.96 0.00 0.00 64.34 61.32 2ugi n VAL 29 Cb 0.62 0.19 0.27 0.00 -1.06 0.00 0.00 33.84 33.86 2ugi n VAL 29 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2ugi h GLU 30 N 0.45 0.94 -0.03 1.45 4.81 -1.47 -2.78 114.58 117.94 2ugi h GLU 30 Ca 0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2ugi h GLU 30 Cb 0.48 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2ugi h GLU 30 CO 0.00 0.62 -0.05 1.49 -0.73 0.00 0.00 179.01 180.34 2ugi h GLU 31 N 0.97 0.09 -0.69 1.92 4.57 -1.79 1.54 114.58 121.18 2ugi h GLU 31 Ca 0.32 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.52 2ugi h GLU 31 Cb 0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.61 2ugi h GLU 31 CO -0.10 0.60 0.38 0.28 -1.18 0.00 0.00 179.01 178.99 2ugi h VAL 32 N -0.42 0.95 0.10 0.32 2.07 -1.82 -3.13 116.25 114.32 2ugi h VAL 32 Ca 0.00 -0.24 -0.28 0.00 0.82 0.00 0.00 66.70 67.01 2ugi h VAL 32 Cb 0.60 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2ugi h VAL 32 CO 0.01 0.13 -1.45 0.40 0.02 0.00 0.00 177.57 176.68 2ugi h ILE 33 N 0.69 0.98 0.00 4.57 1.08 -1.55 -3.49 117.51 119.79 2ugi h ILE 33 Ca 0.31 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 2ugi h ILE 33 Cb 0.22 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 2ugi h ILE 33 CO -0.20 0.68 0.00 0.61 -0.69 0.00 0.00 178.15 178.56 2ugi n GLY 34 N 1.74 0.86 3.29 5.37 0.00 0.52 -5.06 105.19 111.91 2ugi n GLY 34 Ca -0.26 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 2ugi n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ugi s ASN 35 N -2.57 -0.20 -0.22 1.61 0.01 -1.12 -5.03 114.94 107.42 2ugi s ASN 35 Ca 0.00 -0.13 -0.02 0.00 -0.71 0.00 0.00 52.86 52.00 2ugi s ASN 35 Cb 0.00 0.40 0.01 0.00 0.41 0.00 0.00 41.25 42.07 2ugi s ASN 35 CO 0.00 -0.67 -0.10 -0.75 -1.51 0.00 0.00 177.10 174.08 2ugi s LYS 36 N -2.70 3.07 0.67 -0.60 2.20 -1.26 -4.09 119.74 117.04 2ugi s LYS 36 Ca -0.04 -0.81 -0.13 0.00 -0.36 0.00 0.00 55.97 54.63 2ugi s LYS 36 Cb -0.00 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2ugi s LYS 36 CO -0.04 -0.27 1.07 -1.25 -0.36 0.00 0.00 175.35 174.50 2ugi s PRO 37 N 1.37 2.90 0.00 4.03 0.04 -1.26 -4.97 135.00 137.11 2ugi s PRO 37 Ca 0.04 1.14 0.28 0.00 0.04 0.00 0.00 61.00 62.50 2ugi s PRO 37 Cb -0.15 -1.98 1.11 0.00 0.04 0.00 0.00 34.50 33.53 2ugi s PRO 37 CO -0.07 -1.14 1.79 -0.85 0.04 0.00 0.00 177.00 176.77 2ugi n GLU 38 N -2.75 0.79 -4.05 4.56 0.28 -1.26 -4.76 120.64 113.45 2ugi n GLU 38 Ca 0.09 -0.33 -0.11 0.00 -0.16 0.00 0.00 57.16 56.64 2ugi n GLU 38 Cb 0.53 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.85 2ugi n GLU 38 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2ugi s SER 39 N -2.44 0.27 0.67 -1.84 0.15 -1.26 -5.07 113.70 104.18 2ugi s SER 39 Ca 0.29 -1.18 -0.16 0.00 0.70 0.00 0.00 55.95 55.60 2ugi s SER 39 Cb 0.20 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2ugi s SER 39 CO 0.47 -1.18 1.19 -1.81 1.20 0.00 0.00 173.24 173.11 2ugi s ASP 40 N -3.11 4.74 0.01 5.45 1.01 -1.26 -4.46 116.67 119.05 2ugi s ASP 40 Ca 0.27 2.29 0.03 0.00 0.71 0.00 0.00 52.55 55.86 2ugi s ASP 40 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 2ugi s ASP 40 CO 0.13 -1.90 -0.11 0.27 0.21 0.00 0.00 175.17 173.78 2ugi s ILE 41 N -1.92 0.86 -0.01 0.77 -5.25 -0.85 -3.58 121.20 111.22 2ugi s ILE 41 Ca 0.74 -0.63 -0.16 0.00 -0.99 0.00 0.00 60.65 59.61 2ugi s ILE 41 Cb -0.28 -0.75 -0.06 0.00 2.95 0.00 0.00 42.46 44.33 2ugi s ILE 41 CO 0.40 0.12 0.44 -0.76 -1.79 0.00 0.00 174.94 173.35 2ugi s LEU 42 N -0.58 4.44 -0.29 0.37 1.43 0.26 -1.78 118.68 122.53 2ugi s LEU 42 Ca 0.02 0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 2ugi s LEU 42 Cb -0.05 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 2ugi s LEU 42 CO 0.00 0.26 0.10 -0.69 0.23 0.00 0.00 176.35 176.25 2ugi s VAL 43 N -0.76 4.24 -0.33 -1.59 1.01 -0.29 -1.22 120.40 121.47 2ugi s VAL 43 Ca 0.25 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2ugi s VAL 43 Cb -0.17 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.09 2ugi s VAL 43 CO 0.13 0.13 0.16 -1.00 0.00 0.00 0.00 175.10 174.52 2ugi s HIS 44 N 1.56 3.20 0.31 5.22 0.09 0.64 -1.99 115.29 124.32 2ugi s HIS 44 Ca 0.04 -0.80 -0.10 0.00 -0.00 0.00 0.00 55.06 54.20 2ugi s HIS 44 Cb -0.17 -2.37 -0.07 0.00 -0.00 0.00 0.00 32.58 29.98 2ugi s HIS 44 CO 0.04 -0.55 0.65 0.95 -0.00 0.00 0.00 174.74 175.83 2ugi s THR 45 N 1.57 4.86 0.28 1.30 -4.23 -1.00 -1.31 115.64 117.10 2ugi s THR 45 Ca 0.03 0.52 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 2ugi s THR 45 Cb -0.18 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.00 2ugi s THR 45 CO 0.06 -0.28 0.60 0.00 -0.54 0.00 0.00 174.62 174.46 2ugi s ALA 46 N -2.07 -0.56 -0.14 3.99 0.00 0.93 -0.38 121.76 123.52 2ugi s ALA 46 Ca 0.49 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 2ugi s ALA 46 Cb -0.11 0.95 0.07 0.00 0.00 0.00 0.00 23.12 24.03 2ugi s ALA 46 CO 0.25 -0.93 0.30 -0.47 0.00 0.00 0.00 175.76 174.91 2ugi s TYR 47 N -3.68 -0.51 -0.34 0.00 5.04 -1.26 -0.41 117.35 116.19 2ugi s TYR 47 Ca 0.18 1.10 -0.19 0.00 -2.44 0.00 0.00 57.07 55.72 2ugi s TYR 47 Cb -0.03 0.05 -0.00 0.00 0.35 0.00 0.00 41.96 42.33 2ugi s TYR 47 CO 0.10 -0.38 0.55 0.34 -1.34 0.00 0.00 175.55 174.82 2ugi s ASP 48 N 2.39 6.36 0.21 4.32 -1.08 0.69 -4.91 116.67 124.65 2ugi s ASP 48 Ca -0.00 0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.22 2ugi s ASP 48 Cb -0.12 -2.29 -0.04 0.00 -1.46 0.00 0.00 42.92 39.02 2ugi s ASP 48 CO -0.10 -0.50 1.35 -0.08 0.52 0.00 0.00 175.17 176.37 2ugi h GLU 49 N 8.42 0.00 0.00 4.34 4.81 -1.96 -0.21 114.58 129.98 2ugi h GLU 49 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2ugi h GLU 49 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2ugi h GLU 49 CO 0.79 0.66 0.00 -1.13 -0.73 0.00 0.00 179.01 178.60 2ugi n SER 50 N -3.25 0.16 0.00 1.04 3.41 -1.26 -3.34 113.62 110.38 2ugi n SER 50 Ca 0.01 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2ugi n SER 50 Cb 0.81 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2ugi n SER 50 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2ugi n THR 51 N -1.66 0.13 -3.83 6.66 -2.24 -1.21 -5.02 114.28 107.10 2ugi n THR 51 Ca 0.05 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 2ugi n THR 51 Cb 0.25 1.35 0.01 0.00 -2.10 0.00 0.00 70.33 69.85 2ugi n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ugi n ASP 52 N -0.06 -1.48 -4.28 3.42 2.03 -0.22 -4.67 116.55 111.29 2ugi n ASP 52 Ca 0.00 -0.88 -0.29 0.00 0.52 0.00 0.00 54.79 54.14 2ugi n ASP 52 Cb 0.23 -3.69 -0.16 0.00 -0.72 0.00 0.00 41.12 36.78 2ugi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ugi s GLU 53 N -6.27 1.93 -0.07 -0.67 2.02 -0.45 -3.55 118.70 111.62 2ugi s GLU 53 Ca 0.12 -0.87 -0.19 0.00 0.02 0.00 0.00 54.97 54.06 2ugi s GLU 53 Cb -0.06 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 2ugi s GLU 53 CO 0.84 0.51 0.52 -0.80 0.02 0.00 0.00 175.26 176.36 2ugi s ASN 54 N -0.59 6.80 -0.09 -0.19 -0.87 -0.68 -0.22 114.94 119.10 2ugi s ASN 54 Ca 0.09 0.96 0.02 0.00 -1.57 0.00 0.00 52.86 52.36 2ugi s ASN 54 Cb -0.09 -2.32 -0.02 0.00 -0.02 0.00 0.00 41.25 38.81 2ugi s ASN 54 CO -0.01 0.05 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.73 2ugi s VAL 55 N 0.25 2.86 -0.18 1.60 1.01 0.46 -1.97 120.40 124.42 2ugi s VAL 55 Ca 0.28 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2ugi s VAL 55 Cb -0.16 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.12 2ugi s VAL 55 CO 0.13 0.55 -0.01 -0.04 0.00 0.00 0.00 175.10 175.74 2ugi s MET 56 N -0.05 1.05 -0.24 2.72 -1.94 -0.09 -0.05 119.30 120.71 2ugi s MET 56 Ca -0.04 -0.51 -0.10 0.00 -1.71 0.00 0.00 55.69 53.33 2ugi s MET 56 Cb -0.14 -2.07 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 2ugi s MET 56 CO 0.04 -0.54 0.15 -1.17 -0.01 0.00 0.00 175.02 173.48 2ugi s LEU 57 N 1.72 4.01 -0.18 -0.03 2.96 -0.43 -0.24 118.68 126.49 2ugi s LEU 57 Ca -0.01 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 2ugi s LEU 57 Cb -0.16 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2ugi s LEU 57 CO -0.07 0.05 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.23 2ugi s LEU 58 N 1.15 3.26 0.22 -0.68 1.43 0.02 -0.26 118.68 123.82 2ugi s LEU 58 Ca 0.07 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2ugi s LEU 58 Cb -0.14 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 2ugi s LEU 58 CO 0.05 0.12 0.06 0.42 0.23 0.00 0.00 176.35 177.24 2ugi s THR 59 N 0.65 0.53 1.22 5.49 -4.23 -0.35 -1.09 115.64 117.86 2ugi s THR 59 Ca -0.01 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 2ugi s THR 59 Cb -0.14 -2.42 0.29 0.00 1.34 0.00 0.00 72.50 71.58 2ugi s THR 59 CO 0.02 -0.19 1.11 -0.94 -0.54 0.00 0.00 174.62 174.08 2ugi s SER 60 N -3.24 0.78 0.71 3.99 1.04 -0.02 0.90 113.70 117.85 2ugi s SER 60 Ca 0.32 0.60 -0.11 0.00 0.48 0.00 0.00 55.95 57.25 2ugi s SER 60 Cb 0.07 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.39 2ugi s SER 60 CO 0.10 -4.21 1.07 -0.62 0.98 0.00 0.00 173.24 170.55 2ugi s ASP 61 N -3.91 5.24 0.59 7.02 -1.08 -1.23 -3.83 116.67 119.46 2ugi s ASP 61 Ca 0.71 1.66 -0.19 0.00 -0.52 0.00 0.00 52.55 54.21 2ugi s ASP 61 Cb -0.09 -2.50 -0.03 0.00 -1.46 0.00 0.00 42.92 38.83 2ugi s ASP 61 CO 0.56 -1.54 1.26 0.00 0.52 0.00 0.00 175.17 175.97 2ugi s ALA 62 N -3.01 2.58 -1.96 3.66 0.00 -1.26 -2.22 121.76 119.55 2ugi s ALA 62 Ca 0.59 1.13 0.27 0.00 0.00 0.00 0.00 51.96 53.95 2ugi s ALA 62 Cb -0.15 -3.50 0.89 0.00 0.00 0.00 0.00 23.12 20.36 2ugi s ALA 62 CO 0.55 -1.30 1.65 -0.35 0.00 0.00 0.00 175.76 176.31 2ugi n PRO 63 N -1.49 1.07 0.07 0.00 -0.04 -1.26 -4.88 135.00 128.46 2ugi n PRO 63 Ca 0.13 -0.60 -0.12 0.00 -0.04 0.00 0.00 63.50 62.87 2ugi n PRO 63 Cb 0.48 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2ugi n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2ugi h GLU 64 N 1.47 -0.13 -6.27 0.54 4.81 -1.78 -3.47 114.58 109.76 2ugi h GLU 64 Ca 0.00 0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 2ugi h GLU 64 Cb 0.49 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2ugi h GLU 64 CO 0.00 -0.08 -0.79 0.66 -0.73 0.00 0.00 179.01 178.07 2ugi n TYR 65 N -5.17 -2.15 -2.45 0.92 4.01 -1.04 -4.92 117.16 106.36 2ugi n TYR 65 Ca -0.07 0.88 -0.43 0.00 -0.16 0.00 0.00 57.90 58.12 2ugi n TYR 65 Cb 0.10 -4.06 -0.02 0.00 -0.31 0.00 0.00 39.34 35.05 2ugi n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2ugi s LYS 66 N -6.45 4.25 0.30 -0.72 2.20 -1.26 -4.64 119.74 113.41 2ugi s LYS 66 Ca 0.45 1.64 -0.29 0.00 -0.36 0.00 0.00 55.97 57.40 2ugi s LYS 66 Cb -0.23 -3.73 -0.13 0.00 -1.51 0.00 0.00 37.83 32.24 2ugi s LYS 66 CO 0.83 -0.67 1.38 -2.30 -0.36 0.00 0.00 175.35 174.23 2ugi n PRO 67 N 6.40 2.18 0.00 4.03 -0.02 -1.26 -0.84 135.00 145.49 2ugi n PRO 67 Ca 0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2ugi n PRO 67 Cb 0.45 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2ugi n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2ugi n TRP 68 N 1.17 0.00 -3.66 6.00 -0.00 -0.25 -4.80 117.44 115.91 2ugi n TRP 68 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.48 2ugi n TRP 68 Cb 0.34 0.13 -0.03 0.00 -0.00 0.00 0.00 31.31 31.75 2ugi n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2ugi s ALA 69 N -1.99 -1.12 -0.06 5.87 0.00 -1.09 -0.26 121.76 123.11 2ugi s ALA 69 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2ugi s ALA 69 Cb 0.00 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2ugi s ALA 69 CO 0.00 -0.79 -0.05 -1.17 0.00 0.00 0.00 175.76 173.75 2ugi s LEU 70 N -2.84 1.24 -0.09 0.00 1.98 -0.34 -0.80 118.68 117.83 2ugi s LEU 70 Ca 0.06 -0.15 0.04 0.00 -2.89 0.00 0.00 54.13 51.19 2ugi s LEU 70 Cb -0.01 -0.51 -0.00 0.00 0.66 0.00 0.00 46.19 46.32 2ugi s LEU 70 CO -0.06 -0.07 -0.23 -0.69 -1.89 0.00 0.00 176.35 173.41 2ugi s VAL 71 N 1.11 2.17 -0.15 1.68 1.01 0.67 -1.18 120.40 125.71 2ugi s VAL 71 Ca -0.08 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2ugi s VAL 71 Cb -0.14 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2ugi s VAL 71 CO -0.01 0.56 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 2ugi s ILE 72 N 0.24 1.78 -0.20 2.22 -1.09 -0.56 -0.91 121.20 122.67 2ugi s ILE 72 Ca -0.15 -0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 57.44 2ugi s ILE 72 Cb -0.17 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.07 2ugi s ILE 72 CO 0.08 0.49 -0.02 -1.58 -1.23 0.00 0.00 174.94 172.68 2ugi s GLN 73 N 1.19 3.52 0.17 2.79 0.74 -0.83 -1.81 119.66 125.42 2ugi s GLN 73 Ca 0.00 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 2ugi s GLN 73 Cb -0.14 -3.03 0.04 0.00 1.10 0.00 0.00 33.01 30.98 2ugi s GLN 73 CO -0.08 -0.05 0.23 -0.40 -0.55 0.00 0.00 175.29 174.44 2ugi n ASP 74 N 4.41 0.13 0.02 6.67 5.68 -0.96 -1.68 116.55 130.82 2ugi n ASP 74 Ca -0.18 -1.15 0.14 0.00 -0.50 0.00 0.00 54.79 53.11 2ugi n ASP 74 Cb 0.51 -0.16 0.60 0.00 -1.14 0.00 0.00 41.12 40.94 2ugi n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2ugi h SER 75 N -0.24 0.15 -0.18 -1.12 0.02 -1.83 -1.07 113.55 109.28 2ugi h SER 75 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2ugi h SER 75 Cb 0.23 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2ugi h SER 75 CO 0.06 0.09 0.00 0.59 -1.14 0.00 0.00 176.83 176.43 2ugi n ASN 76 N -4.45 1.32 -1.18 3.07 5.03 -1.26 -4.92 115.26 112.88 2ugi n ASN 76 Ca 0.07 -1.78 -0.14 0.00 0.87 0.00 0.00 54.58 53.60 2ugi n ASN 76 Cb 0.40 -0.12 -0.04 0.00 -1.02 0.00 0.00 39.78 39.00 2ugi n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ugi n GLY 77 N 1.00 0.99 3.68 7.41 0.00 -0.40 -4.99 105.19 112.87 2ugi n GLY 77 Ca 0.13 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2ugi n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ugi s GLU 78 N -3.56 3.76 0.47 1.61 2.02 -1.26 -4.87 118.70 116.86 2ugi s GLU 78 Ca 0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.63 2ugi s GLU 78 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 2ugi s GLU 78 CO 0.00 0.41 0.75 -0.80 0.02 0.00 0.00 175.26 175.64 2ugi s ASN 79 N -0.02 6.20 -0.15 -0.19 0.02 -1.26 -2.27 114.94 117.27 2ugi s ASN 79 Ca 0.06 0.81 -0.05 0.00 -1.02 0.00 0.00 52.86 52.65 2ugi s ASN 79 Cb -0.12 -2.14 0.07 0.00 0.02 0.00 0.00 41.25 39.08 2ugi s ASN 79 CO 0.01 -0.58 0.31 -0.75 0.02 0.00 0.00 177.10 176.11 2ugi s LYS 80 N -4.69 0.20 -0.08 -0.60 2.20 -0.75 -4.98 119.74 111.05 2ugi s LYS 80 Ca 0.47 0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 56.89 2ugi s LYS 80 Cb -0.10 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 2ugi s LYS 80 CO 0.43 -0.27 -0.04 0.42 -0.36 0.00 0.00 175.35 175.53 2ugi s ILE 81 N 2.40 3.96 -0.18 5.43 1.01 -1.26 -1.50 121.20 131.07 2ugi s ILE 81 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 2ugi s ILE 81 Cb -0.12 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.75 2ugi s ILE 81 CO -0.10 0.60 -0.02 -0.75 0.00 0.00 0.00 174.94 174.67 2ugi s LYS 82 N -0.77 1.18 0.06 2.79 2.20 -0.33 -5.00 119.74 119.87 2ugi s LYS 82 Ca 0.12 -0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 54.91 2ugi s LYS 82 Cb -0.11 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 34.10 2ugi s LYS 82 CO 0.02 -0.51 1.21 -1.64 -0.36 0.00 0.00 175.35 174.07 2ugi s MET 83 N 1.69 4.42 0.00 4.03 -1.94 -1.26 -1.19 119.30 125.05 2ugi s MET 83 Ca -0.00 1.79 0.25 0.00 -1.71 0.00 0.00 55.69 56.02 2ugi s MET 83 Cb -0.16 -3.34 0.50 0.00 2.01 0.00 0.00 34.83 33.84 2ugi s MET 83 CO -0.07 -0.27 1.44 1.28 -0.01 0.00 0.00 175.02 177.39