#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uug h LEU 4 N 0.00 0.52 -1.61 1.20 3.38 -2.01 -3.22 115.31 113.56 1uug h LEU 4 Ca 0.00 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.72 1uug h LEU 4 Cb 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1uug h LEU 4 CO 0.00 1.12 0.43 0.28 0.09 0.00 0.00 178.44 180.36 1uug h SER 5 N 0.28 0.39 -0.06 -0.43 0.02 -2.01 -1.93 113.55 109.81 1uug h SER 5 Ca -0.04 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1uug h SER 5 Cb 1.37 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 1uug h SER 5 CO 0.14 0.23 -0.04 0.44 -1.14 0.00 0.00 176.83 176.45 1uug h ASP 6 N 0.43 -0.12 -0.68 3.07 5.19 -1.93 -1.86 116.42 120.51 1uug h ASP 6 Ca 0.30 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.75 1uug h ASP 6 Cb 0.60 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 1uug h ASP 6 CO -0.09 -0.06 0.45 0.40 -3.12 0.00 0.00 179.24 176.83 1uug h ILE 7 N -0.04 1.17 -0.18 0.35 2.04 -1.49 0.11 117.51 119.46 1uug h ILE 7 Ca 0.04 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1uug h ILE 7 Cb 0.10 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1uug h ILE 7 CO -0.08 0.17 0.05 0.40 0.00 0.00 0.00 178.15 178.68 1uug h ILE 8 N 0.92 1.20 -0.73 -0.67 2.04 -1.28 -1.17 117.51 117.81 1uug h ILE 8 Ca 0.25 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1uug h ILE 8 Cb -0.10 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1uug h ILE 8 CO -0.06 0.20 0.34 -0.08 0.00 0.00 0.00 178.15 178.55 1uug h GLU 9 N 0.10 1.05 0.00 2.37 4.81 -0.70 0.41 114.58 122.63 1uug h GLU 9 Ca 0.06 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1uug h GLU 9 Cb 0.26 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1uug h GLU 9 CO 0.00 0.82 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.57 1uug h LYS 10 N 1.04 0.00 0.00 1.92 3.64 -0.58 0.36 116.57 122.95 1uug h LYS 10 Ca 0.25 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1uug h LYS 10 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1uug h LYS 10 CO -0.03 0.31 -1.80 0.39 -2.27 0.00 0.00 179.45 176.05 1uug n GLU 11 N -4.07 0.65 0.00 1.90 -0.58 -0.46 -4.67 120.64 113.41 1uug n GLU 11 Ca -0.02 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1uug n GLU 11 Cb 0.37 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1uug n GLU 11 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1uug n THR 12 N -2.47 0.00 0.00 2.62 -2.24 0.14 -5.03 114.28 107.30 1uug n THR 12 Ca -0.08 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1uug n THR 12 Cb 0.67 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1uug n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uug n GLY 13 N 1.75 2.71 3.78 3.38 0.00 0.13 -5.00 105.19 111.93 1uug n GLY 13 Ca 0.00 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1uug n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uug s LYS 14 N 0.00 4.06 -0.45 1.61 1.02 -1.26 -4.86 119.74 119.86 1uug s LYS 14 Ca 0.00 1.66 -0.13 0.00 0.02 0.00 0.00 55.97 57.52 1uug s LYS 14 Cb 0.00 -2.56 0.07 0.00 -0.52 0.00 0.00 37.83 34.82 1uug s LYS 14 CO 0.00 -0.27 0.33 -0.65 -0.92 0.00 0.00 175.35 173.84 1uug s GLN 15 N -2.46 2.81 0.16 1.68 -0.21 -1.26 -3.60 119.66 116.79 1uug s GLN 15 Ca 0.58 -1.39 0.10 0.00 0.02 0.00 0.00 55.36 54.68 1uug s GLN 15 Cb -0.26 -3.97 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1uug s GLN 15 CO 0.32 -0.99 -0.23 -0.51 -2.12 0.00 0.00 175.29 171.77 1uug s LEU 16 N 1.54 2.40 -0.20 2.90 1.43 -1.26 -5.11 118.68 120.37 1uug s LEU 16 Ca 0.04 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 1uug s LEU 16 Cb -0.24 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1uug s LEU 16 CO 0.05 0.09 0.17 -0.69 0.23 0.00 0.00 176.35 176.19 1uug s VAL 17 N -1.58 5.38 0.01 -1.59 1.01 -1.26 -4.81 120.40 117.56 1uug s VAL 17 Ca 0.17 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1uug s VAL 17 Cb -0.08 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1uug s VAL 17 CO 0.08 0.41 1.28 -0.63 0.00 0.00 0.00 175.10 176.24 1uug s ILE 18 N 0.55 3.94 -0.13 2.22 1.01 -1.26 -4.45 121.20 123.08 1uug s ILE 18 Ca 0.09 1.34 0.18 0.00 0.00 0.00 0.00 60.65 62.26 1uug s ILE 18 Cb -0.12 -3.86 -0.25 0.00 0.01 0.00 0.00 42.46 38.25 1uug s ILE 18 CO 0.00 0.03 0.36 0.00 0.00 0.00 0.00 174.94 175.33 1uug n GLN 19 N 4.84 0.66 -3.54 2.79 6.02 0.19 -4.98 117.38 123.37 1uug n GLN 19 Ca 0.11 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1uug n GLN 19 Cb 0.45 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 30.07 1uug n GLN 19 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1uug s GLU 20 N -2.81 1.13 -0.15 -1.09 -1.05 -1.19 -5.03 118.70 108.51 1uug s GLU 20 Ca -0.08 -0.43 -0.04 0.00 -0.15 0.00 0.00 54.97 54.28 1uug s GLU 20 Cb 0.08 0.51 0.05 0.00 -0.44 0.00 0.00 34.13 34.34 1uug s GLU 20 CO 0.84 -0.45 0.06 -1.12 0.95 0.00 0.00 175.26 175.54 1uug s SER 21 N -2.44 2.28 -0.13 0.83 0.01 -1.26 -1.46 113.70 111.53 1uug s SER 21 Ca -0.01 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1uug s SER 21 Cb -0.00 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 1uug s SER 21 CO -0.08 -0.31 -0.05 -0.63 0.41 0.00 0.00 173.24 172.59 1uug s ILE 22 N 2.04 3.83 0.01 1.44 -1.09 -0.63 -4.87 121.20 121.92 1uug s ILE 22 Ca 0.02 -0.39 -0.22 0.00 -2.23 0.00 0.00 60.65 57.82 1uug s ILE 22 Cb -0.15 -2.65 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 1uug s ILE 22 CO -0.07 0.53 0.66 -0.22 -1.23 0.00 0.00 174.94 174.61 1uug s LEU 23 N 0.02 4.42 0.02 2.97 2.96 -1.26 0.07 118.68 127.88 1uug s LEU 23 Ca 0.00 1.27 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1uug s LEU 23 Cb -0.13 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1uug s LEU 23 CO 0.03 0.05 -0.04 -0.04 -1.32 0.00 0.00 176.35 175.03 1uug s MET 24 N -0.07 0.33 0.58 1.98 -1.94 0.37 -4.99 119.30 115.55 1uug s MET 24 Ca 0.34 -0.42 -0.08 0.00 -1.71 0.00 0.00 55.69 53.82 1uug s MET 24 Cb -0.19 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.48 1uug s MET 24 CO 0.19 0.03 0.94 -0.51 -0.01 0.00 0.00 175.02 175.65 1uug s LEU 25 N -0.86 3.33 0.34 -0.03 1.43 -1.26 -1.11 118.68 120.51 1uug s LEU 25 Ca -0.07 1.11 0.07 0.00 -1.03 0.00 0.00 54.13 54.21 1uug s LEU 25 Cb -0.06 -4.07 0.75 0.00 0.03 0.00 0.00 46.19 42.84 1uug s LEU 25 CO -0.00 -0.86 1.86 -0.65 0.23 0.00 0.00 176.35 176.94 1uug h PRO 26 N -0.15 0.75 -0.28 1.29 0.11 -1.86 -2.47 132.00 129.38 1uug h PRO 26 Ca -0.45 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1uug h PRO 26 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1uug h PRO 26 CO 0.62 0.50 -0.31 0.93 -0.21 0.00 0.00 178.00 179.53 1uug h GLU 27 N 0.77 0.59 0.00 1.05 3.07 -1.93 -0.99 114.58 117.14 1uug h GLU 27 Ca 0.46 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1uug h GLU 27 Cb 0.65 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1uug h GLU 27 CO -0.22 0.83 -0.04 1.05 -1.40 0.00 0.00 179.01 179.23 1uug h GLU 28 N 0.50 0.00 0.18 2.33 4.11 -1.84 -3.24 114.58 116.62 1uug h GLU 28 Ca 0.06 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.19 1uug h GLU 28 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1uug h GLU 28 CO 0.06 0.00 -1.47 0.28 0.07 0.00 0.00 179.01 177.95 1uug h VAL 29 N 0.00 1.12 -0.34 -1.06 2.07 -1.35 -3.40 116.25 113.29 1uug h VAL 29 Ca 0.00 -2.52 0.07 0.00 0.82 0.00 0.00 66.70 65.07 1uug h VAL 29 Cb 0.95 2.87 -0.08 0.00 -1.52 0.00 0.00 31.29 33.52 1uug h VAL 29 CO 0.00 0.79 -0.26 -0.08 0.02 0.00 0.00 177.57 178.04 1uug h GLU 30 N -0.06 -0.21 0.00 1.57 4.81 -1.20 -1.30 114.58 118.18 1uug h GLU 30 Ca -0.29 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1uug h GLU 30 Cb 1.96 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.39 1uug h GLU 30 CO 0.16 -0.14 0.00 1.05 -0.73 0.00 0.00 179.01 179.35 1uug h GLU 31 N -0.22 0.00 0.02 1.92 4.11 -1.76 0.40 114.58 119.04 1uug h GLU 31 Ca 0.17 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.25 1uug h GLU 31 Cb 0.48 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1uug h GLU 31 CO -0.46 0.00 -1.93 0.28 0.07 0.00 0.00 179.01 176.97 1uug n VAL 32 N -2.66 1.56 0.10 -1.06 0.31 -0.79 -4.49 118.33 111.30 1uug n VAL 32 Ca -0.01 -0.29 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1uug n VAL 32 Cb 0.12 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.12 1uug n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1uug h ILE 33 N -0.76 1.19 0.00 2.52 1.08 -1.20 -3.48 117.51 116.86 1uug h ILE 33 Ca -0.51 -2.71 0.00 0.00 -0.39 0.00 0.00 64.86 61.25 1uug h ILE 33 Cb 1.57 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.89 1uug h ILE 33 CO -0.24 0.68 0.00 0.61 -0.69 0.00 0.00 178.15 178.51 1uug n GLY 34 N 1.29 0.49 3.43 5.37 0.00 0.14 -5.04 105.19 110.87 1uug n GLY 34 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1uug n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uug s ASN 35 N -2.90 -0.58 -0.33 1.61 3.04 -1.21 -5.05 114.94 109.52 1uug s ASN 35 Ca 0.00 1.09 -0.12 0.00 0.04 0.00 0.00 52.86 53.86 1uug s ASN 35 Cb 0.00 1.07 -0.02 0.00 -1.54 0.00 0.00 41.25 40.75 1uug s ASN 35 CO 0.00 -0.19 0.23 -0.75 -3.04 0.00 0.00 177.10 173.35 1uug s LYS 36 N 0.57 3.60 0.64 0.43 2.20 -1.26 -3.95 119.74 121.96 1uug s LYS 36 Ca -0.02 -0.57 -0.18 0.00 -0.36 0.00 0.00 55.97 54.84 1uug s LYS 36 Cb -0.04 -3.77 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1uug s LYS 36 CO -0.03 -0.39 1.24 -1.25 -0.36 0.00 0.00 175.35 174.56 1uug s PRO 37 N 1.74 2.67 0.47 4.03 0.04 -1.26 -4.94 135.00 137.74 1uug s PRO 37 Ca 0.06 1.90 0.28 0.00 0.04 0.00 0.00 61.00 63.29 1uug s PRO 37 Cb -0.17 -1.88 0.89 0.00 0.04 0.00 0.00 34.50 33.38 1uug s PRO 37 CO 0.11 -1.46 1.80 1.49 0.04 0.00 0.00 177.00 178.98 1uug h GLU 38 N 0.55 0.00 0.00 4.56 4.81 -1.98 -3.45 114.58 119.07 1uug h GLU 38 Ca -0.50 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.54 1uug h GLU 38 Cb 1.31 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 1uug h GLU 38 CO 0.53 0.00 -0.01 0.45 -0.73 0.00 0.00 179.01 179.25 1uug n SER 39 N -3.01 -1.53 -4.62 1.04 2.88 -1.26 -5.07 113.62 102.06 1uug n SER 39 Ca 0.02 -2.66 -0.35 0.00 -1.33 0.00 0.00 58.87 54.55 1uug n SER 39 Cb 0.40 2.73 0.10 0.00 -0.75 0.00 0.00 64.21 66.69 1uug n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1uug n ASP 40 N -1.60 0.41 -4.07 -3.46 8.00 -1.26 -4.46 116.55 110.11 1uug n ASP 40 Ca -0.02 0.62 -0.17 0.00 0.71 0.00 0.00 54.79 55.93 1uug n ASP 40 Cb 0.54 -1.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.10 1uug n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1uug s ILE 41 N -1.94 0.76 -0.19 0.53 1.01 -0.27 -3.64 121.20 117.46 1uug s ILE 41 Ca 0.72 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1uug s ILE 41 Cb -0.32 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1uug s ILE 41 CO 0.52 -0.11 0.02 -0.76 0.00 0.00 0.00 174.94 174.61 1uug s LEU 42 N -1.06 3.48 -0.46 2.97 1.43 0.15 -0.48 118.68 124.71 1uug s LEU 42 Ca -0.02 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1uug s LEU 42 Cb -0.07 -1.88 0.07 0.00 0.03 0.00 0.00 46.19 44.34 1uug s LEU 42 CO 0.01 0.12 0.36 -0.69 0.23 0.00 0.00 176.35 176.38 1uug s VAL 43 N 0.68 5.10 -0.32 -1.59 1.01 0.11 -1.52 120.40 123.87 1uug s VAL 43 Ca 0.01 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 1uug s VAL 43 Cb -0.14 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1uug s VAL 43 CO 0.02 -0.53 0.51 -1.00 0.00 0.00 0.00 175.10 174.09 1uug s HIS 44 N 1.62 3.20 -0.07 5.22 0.09 -0.14 -1.61 115.29 123.60 1uug s HIS 44 Ca 0.04 0.32 0.02 0.00 -0.00 0.00 0.00 55.06 55.44 1uug s HIS 44 Cb -0.23 -2.85 -0.02 0.00 -0.00 0.00 0.00 32.58 29.47 1uug s HIS 44 CO 0.06 -0.45 -0.12 0.99 -0.00 0.00 0.00 174.74 175.22 1uug s THR 45 N 2.36 3.21 0.01 1.30 2.01 -0.53 -0.99 115.64 123.00 1uug s THR 45 Ca 0.19 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1uug s THR 45 Cb -0.15 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1uug s THR 45 CO 0.12 0.58 -0.08 0.00 -0.69 0.00 0.00 174.62 174.55 1uug s ALA 46 N -0.50 0.65 -0.11 7.40 0.00 -0.46 -0.64 121.76 128.10 1uug s ALA 46 Ca 0.07 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1uug s ALA 46 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1uug s ALA 46 CO 0.02 0.12 0.08 -0.47 0.00 0.00 0.00 175.76 175.51 1uug s TYR 47 N -0.47 3.42 -0.39 0.00 5.04 -1.26 -0.61 117.35 123.08 1uug s TYR 47 Ca 0.00 0.39 -0.06 0.00 -2.44 0.00 0.00 57.07 54.97 1uug s TYR 47 Cb -0.05 -1.88 0.08 0.00 0.35 0.00 0.00 41.96 40.46 1uug s TYR 47 CO 0.00 0.63 0.18 0.34 -1.34 0.00 0.00 175.55 175.36 1uug s ASP 48 N -0.97 5.36 0.30 4.32 2.15 -0.10 -4.85 116.67 122.89 1uug s ASP 48 Ca 0.14 -1.58 -0.02 0.00 0.43 0.00 0.00 52.55 51.53 1uug s ASP 48 Cb -0.12 -1.88 0.46 0.00 -0.30 0.00 0.00 42.92 41.08 1uug s ASP 48 CO 0.03 -0.47 1.97 -0.33 -0.17 0.00 0.00 175.17 176.20 1uug h GLU 49 N 8.21 1.05 -0.50 4.34 3.07 -1.97 0.31 114.58 129.09 1uug h GLU 49 Ca -0.20 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1uug h GLU 49 Cb 1.07 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1uug h GLU 49 CO 0.68 0.71 0.31 0.66 -1.40 0.00 0.00 179.01 179.97 1uug h SER 50 N 1.08 0.59 -0.00 1.42 4.64 -1.97 -3.23 113.55 116.08 1uug h SER 50 Ca 0.29 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1uug h SER 50 Cb -0.11 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1uug h SER 50 CO -0.06 0.45 -0.16 0.35 -0.87 0.00 0.00 176.83 176.54 1uug n THR 51 N -4.44 0.00 -3.25 2.95 -2.24 -1.13 -5.03 114.28 101.14 1uug n THR 51 Ca 0.04 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.25 1uug n THR 51 Cb 0.07 1.01 0.08 0.00 -2.10 0.00 0.00 70.33 69.38 1uug n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1uug n ASP 52 N -1.00 -2.47 -4.35 3.42 2.03 0.11 -4.86 116.55 109.43 1uug n ASP 52 Ca 0.01 -0.52 -0.21 0.00 0.52 0.00 0.00 54.79 54.59 1uug n ASP 52 Cb 0.06 -4.46 -0.11 0.00 -0.72 0.00 0.00 41.12 35.89 1uug n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1uug s GLU 53 N -5.28 1.33 -0.18 -0.67 2.02 -1.13 -3.42 118.70 111.37 1uug s GLU 53 Ca 0.06 -1.51 -0.05 0.00 0.02 0.00 0.00 54.97 53.49 1uug s GLU 53 Cb -0.03 -1.29 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 1uug s GLU 53 CO 0.63 0.24 -0.01 -0.80 0.02 0.00 0.00 175.26 175.34 1uug s ASN 54 N -2.99 4.92 -0.17 -0.19 0.01 -0.62 -0.92 114.94 114.99 1uug s ASN 54 Ca 0.20 -0.14 -0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1uug s ASN 54 Cb -0.04 -1.83 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 1uug s ASN 54 CO 0.07 0.12 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.01 1uug s VAL 55 N 0.68 3.31 -0.09 1.60 1.01 0.22 -1.40 120.40 125.74 1uug s VAL 55 Ca -0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1uug s VAL 55 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1uug s VAL 55 CO 0.02 0.48 -0.20 -0.04 0.00 0.00 0.00 175.10 175.36 1uug s MET 56 N 0.83 2.57 -0.22 2.72 -1.94 0.31 -1.35 119.30 122.21 1uug s MET 56 Ca -0.02 -0.72 -0.05 0.00 -1.71 0.00 0.00 55.69 53.18 1uug s MET 56 Cb -0.15 -1.99 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1uug s MET 56 CO 0.01 0.14 0.01 -1.17 -0.01 0.00 0.00 175.02 174.00 1uug s LEU 57 N 0.42 3.20 -0.23 -0.03 2.96 -0.16 -0.30 118.68 124.54 1uug s LEU 57 Ca -0.17 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.38 1uug s LEU 57 Cb -0.17 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1uug s LEU 57 CO 0.07 -0.00 0.12 -0.76 -1.32 0.00 0.00 176.35 174.46 1uug s LEU 58 N 1.39 3.94 0.38 -0.68 1.43 0.56 -0.97 118.68 124.72 1uug s LEU 58 Ca 0.05 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1uug s LEU 58 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1uug s LEU 58 CO 0.01 0.07 0.09 0.42 0.23 0.00 0.00 176.35 177.17 1uug s THR 59 N 1.00 0.87 0.97 5.49 -4.23 -0.57 -0.66 115.64 118.51 1uug s THR 59 Ca 0.06 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.41 1uug s THR 59 Cb -0.14 -2.52 0.19 0.00 1.34 0.00 0.00 72.50 71.37 1uug s THR 59 CO 0.04 0.00 1.26 -0.94 -0.54 0.00 0.00 174.62 174.43 1uug s SER 60 N -3.57 2.99 0.98 3.99 1.04 -0.47 -0.67 113.70 117.99 1uug s SER 60 Ca 0.28 0.45 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 1uug s SER 60 Cb 0.05 -0.63 0.18 0.00 0.10 0.00 0.00 66.02 65.72 1uug s SER 60 CO 0.14 -2.82 1.11 -0.62 0.98 0.00 0.00 173.24 172.03 1uug s ASP 61 N -4.62 2.84 0.70 7.02 2.15 -1.24 -3.84 116.67 119.68 1uug s ASP 61 Ca 0.71 1.05 -0.15 0.00 0.43 0.00 0.00 52.55 54.60 1uug s ASP 61 Cb -0.07 -1.66 0.03 0.00 -0.30 0.00 0.00 42.92 40.92 1uug s ASP 61 CO 0.53 -2.98 1.16 0.00 -0.17 0.00 0.00 175.17 173.71 1uug s ALA 62 N -3.10 2.25 -2.44 3.66 0.00 -1.26 -1.93 121.76 118.95 1uug s ALA 62 Ca 0.65 0.72 0.24 0.00 0.00 0.00 0.00 51.96 53.57 1uug s ALA 62 Cb -0.17 -3.40 0.83 0.00 0.00 0.00 0.00 23.12 20.39 1uug s ALA 62 CO 0.56 -1.64 1.61 -0.35 0.00 0.00 0.00 175.76 175.94 1uug n PRO 63 N -2.64 1.78 0.39 0.00 -0.04 -1.26 -4.85 135.00 128.38 1uug n PRO 63 Ca 0.12 -1.16 -0.16 0.00 -0.04 0.00 0.00 63.50 62.26 1uug n PRO 63 Cb 0.51 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1uug n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1uug h GLU 64 N 2.57 -0.97 -4.43 0.54 4.57 -1.85 -3.47 114.58 111.53 1uug h GLU 64 Ca 0.00 0.07 -0.36 0.00 -1.18 0.00 0.00 59.36 57.88 1uug h GLU 64 Cb 0.55 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1uug h GLU 64 CO 0.00 -0.64 -0.52 0.66 -1.18 0.00 0.00 179.01 177.33 1uug n TYR 65 N -5.45 -1.67 -2.13 0.92 4.01 -0.81 -4.93 117.16 107.11 1uug n TYR 65 Ca -0.13 0.32 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1uug n TYR 65 Cb 0.40 -3.58 -0.03 0.00 -0.31 0.00 0.00 39.34 35.82 1uug n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1uug s LYS 66 N -5.56 4.28 0.37 -0.72 2.20 -1.26 -4.53 119.74 114.53 1uug s LYS 66 Ca 0.22 2.11 -0.28 0.00 -0.36 0.00 0.00 55.97 57.67 1uug s LYS 66 Cb -0.11 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.71 1uug s LYS 66 CO 0.28 -0.55 1.38 -2.14 -0.36 0.00 0.00 175.35 173.96 1uug s PRO 67 N 1.78 4.13 0.00 4.03 0.02 -1.26 -1.37 135.00 142.33 1uug s PRO 67 Ca 0.66 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1uug s PRO 67 Cb -0.36 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1uug s PRO 67 CO 0.29 -0.42 0.00 1.87 -0.33 0.00 0.00 177.00 178.41 1uug n TRP 68 N 0.46 0.00 -3.54 6.54 -0.00 0.16 -4.83 117.44 116.23 1uug n TRP 68 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.42 1uug n TRP 68 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.69 1uug n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1uug s ALA 69 N -1.66 -1.88 -0.06 5.87 0.00 -1.08 -1.92 121.76 121.03 1uug s ALA 69 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.28 1uug s ALA 69 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 1uug s ALA 69 CO 0.00 -0.53 -0.19 -1.17 0.00 0.00 0.00 175.76 173.87 1uug s LEU 70 N -1.89 1.92 -0.07 0.00 2.96 -0.24 -0.33 118.68 121.04 1uug s LEU 70 Ca 0.02 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1uug s LEU 70 Cb -0.01 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.59 1uug s LEU 70 CO -0.04 0.15 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.31 1uug s VAL 71 N 0.19 1.27 -0.21 1.68 1.01 0.59 -1.31 120.40 123.62 1uug s VAL 71 Ca -0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1uug s VAL 71 Cb -0.14 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1uug s VAL 71 CO 0.04 0.38 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 1uug s ILE 72 N 0.56 2.72 -0.10 2.22 1.01 -0.58 -0.53 121.20 126.51 1uug s ILE 72 Ca -0.14 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1uug s ILE 72 Cb -0.16 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1uug s ILE 72 CO 0.04 0.43 -0.14 -1.58 0.00 0.00 0.00 174.94 173.69 1uug s GLN 73 N 1.37 3.01 0.85 2.79 0.74 -0.49 -0.35 119.66 127.58 1uug s GLN 73 Ca 0.04 -0.69 -0.09 0.00 0.05 0.00 0.00 55.36 54.68 1uug s GLN 73 Cb -0.14 -2.52 0.17 0.00 1.10 0.00 0.00 33.01 31.62 1uug s GLN 73 CO -0.08 0.39 1.17 0.16 -0.55 0.00 0.00 175.29 176.38 1uug s ASP 74 N -0.11 3.66 0.49 6.67 1.47 -0.53 -1.58 116.67 126.74 1uug s ASP 74 Ca -0.01 -0.08 0.26 0.00 1.18 0.00 0.00 52.55 53.90 1uug s ASP 74 Cb -0.14 -0.11 1.33 0.00 -0.34 0.00 0.00 42.92 43.67 1uug s ASP 74 CO 0.04 -2.35 1.87 0.28 0.68 0.00 0.00 175.17 175.69 1uug h SER 75 N -1.12 0.16 0.02 2.11 0.02 -1.89 -1.81 113.55 111.03 1uug h SER 75 Ca -0.40 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1uug h SER 75 Cb 1.25 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1uug h SER 75 CO 0.38 0.06 -0.23 0.59 -1.14 0.00 0.00 176.83 176.48 1uug n ASN 76 N -4.37 2.13 0.00 3.07 3.02 -1.26 -4.98 115.26 112.87 1uug n ASN 76 Ca 0.19 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1uug n ASN 76 Cb 0.87 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 1uug n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uug n GLY 77 N 1.36 0.72 3.71 7.41 0.00 -0.68 -5.09 105.19 112.62 1uug n GLY 77 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1uug n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uug s GLU 78 N -0.55 4.36 -0.10 1.61 0.41 -1.26 -4.79 118.70 118.38 1uug s GLU 78 Ca 0.00 1.94 -0.04 0.00 -0.41 0.00 0.00 54.97 56.46 1uug s GLU 78 Cb 0.00 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 1uug s GLU 78 CO 0.00 -0.37 0.05 -0.80 -0.49 0.00 0.00 175.26 173.64 1uug s ASN 79 N 1.14 5.59 -0.33 -0.19 0.01 -1.26 -1.45 114.94 118.46 1uug s ASN 79 Ca 0.62 0.23 0.02 0.00 -0.71 0.00 0.00 52.86 53.02 1uug s ASN 79 Cb -0.33 -1.69 0.09 0.00 0.41 0.00 0.00 41.25 39.72 1uug s ASN 79 CO 0.29 0.37 0.03 -0.54 -1.51 0.00 0.00 177.10 175.74 1uug s LYS 80 N -0.81 1.88 -0.06 -0.60 -0.14 0.53 -4.95 119.74 115.60 1uug s LYS 80 Ca 0.13 -1.66 -0.13 0.00 -1.36 0.00 0.00 55.97 52.95 1uug s LYS 80 Cb -0.12 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.79 1uug s LYS 80 CO 0.03 -0.83 0.33 0.42 -0.76 0.00 0.00 175.35 174.54 1uug s ILE 81 N 1.04 5.18 -0.04 2.17 1.01 -1.26 -1.52 121.20 127.79 1uug s ILE 81 Ca 0.03 0.66 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 1uug s ILE 81 Cb -0.20 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1uug s ILE 81 CO -0.06 0.55 0.05 -0.75 0.00 0.00 0.00 174.94 174.72 1uug s LYS 82 N -0.74 -0.01 0.31 2.79 2.20 -0.43 -5.01 119.74 118.85 1uug s LYS 82 Ca 0.21 0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 55.84 1uug s LYS 82 Cb -0.15 -0.46 -0.09 0.00 -1.51 0.00 0.00 37.83 35.62 1uug s LYS 82 CO 0.10 -0.27 0.99 -1.64 -0.36 0.00 0.00 175.35 174.17 1uug s MET 83 N 1.78 4.57 0.00 4.03 -1.94 -1.26 -1.08 119.30 125.41 1uug s MET 83 Ca 0.00 1.49 0.07 0.00 -1.71 0.00 0.00 55.69 55.54 1uug s MET 83 Cb -0.12 -2.93 0.06 0.00 2.01 0.00 0.00 34.83 33.84 1uug s MET 83 CO -0.03 0.24 0.73 1.28 -0.01 0.00 0.00 175.02 177.22