#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozt s THR 2 N 0.00 4.33 0.08 0.00 2.01 -1.06 -4.89 115.64 116.11 1ozt s THR 2 Ca 0.00 1.09 0.01 0.00 0.31 0.00 0.00 61.69 63.11 1ozt s THR 2 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1ozt s THR 2 CO 0.00 -0.66 -0.06 -0.54 -0.69 0.00 0.00 174.62 172.66 1ozt s LYS 3 N -4.14 0.75 0.16 4.92 1.02 -1.26 -1.73 119.74 119.46 1ozt s LYS 3 Ca 0.60 -1.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.24 1ozt s LYS 3 Cb -0.12 -0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.04 1ozt s LYS 3 CO 0.34 -0.02 0.40 0.00 -0.92 0.00 0.00 175.35 175.15 1ozt s ALA 4 N -3.25 -0.58 0.12 5.17 0.00 -0.43 -2.18 121.76 120.61 1ozt s ALA 4 Ca 0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 1ozt s ALA 4 Cb 0.03 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ozt s ALA 4 CO -0.04 -0.70 0.25 0.54 0.00 0.00 0.00 175.76 175.81 1ozt s VAL 5 N -3.89 0.11 -0.18 0.00 0.11 0.08 -0.64 120.40 115.99 1ozt s VAL 5 Ca 0.10 -1.20 -0.10 0.00 -2.93 0.00 0.00 61.98 57.85 1ozt s VAL 5 Cb 0.01 -1.52 0.06 0.00 -1.53 0.00 0.00 36.38 33.40 1ozt s VAL 5 CO -0.04 -0.48 0.43 0.00 -3.33 0.00 0.00 175.10 171.68 1ozt s VAL 7 N 1.50 5.17 -0.15 0.00 1.01 -1.26 -1.56 120.40 125.10 1ozt s VAL 7 Ca -0.09 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 1ozt s VAL 7 Cb -0.08 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1ozt s VAL 7 CO -0.13 0.34 0.28 -0.76 0.00 0.00 0.00 175.10 174.83 1ozt s LEU 8 N 1.19 4.26 0.09 3.92 2.01 0.08 -3.84 118.68 126.39 1ozt s LEU 8 Ca 0.07 0.51 -0.07 0.00 0.01 0.00 0.00 54.13 54.65 1ozt s LEU 8 Cb -0.14 -2.36 -0.01 0.00 0.01 0.00 0.00 46.19 43.69 1ozt s LEU 8 CO 0.05 0.12 0.16 -0.54 1.01 0.00 0.00 176.35 177.15 1ozt s LYS 9 N 0.35 0.82 0.00 1.70 1.02 0.16 -2.63 119.74 121.16 1ozt s LYS 9 Ca 0.16 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1ozt s LYS 9 Cb -0.13 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1ozt s LYS 9 CO 0.04 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1ozt n GLY 10 N -0.04 2.33 0.15 -3.33 0.00 -1.25 -0.17 105.19 102.87 1ozt n GLY 10 Ca -0.14 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.02 1ozt n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ozt h ASP 11 N 0.00 0.00 -0.76 1.61 3.32 -1.92 -3.46 116.42 115.21 1ozt h ASP 11 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ozt h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ozt h ASP 11 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1ozt n GLY 12 N 1.21 1.66 0.22 2.75 0.00 -1.26 -5.01 105.19 104.76 1ozt n GLY 12 Ca 0.04 -1.90 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1ozt n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ozt n PRO 13 N 0.00 0.77 -2.17 1.61 -0.04 -1.26 -4.92 135.00 128.99 1ozt n PRO 13 Ca 0.00 -0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 62.60 1ozt n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1ozt n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ozt s VAL 14 N -2.53 3.57 -0.03 0.52 1.01 -1.26 -4.31 120.40 117.37 1ozt s VAL 14 Ca 0.24 0.98 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1ozt s VAL 14 Cb 0.19 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 33.02 1ozt s VAL 14 CO 0.53 0.00 0.69 0.00 0.00 0.00 0.00 175.10 176.32 1ozt s GLN 15 N 2.39 1.06 0.00 2.72 -2.07 -0.42 -3.84 119.66 119.51 1ozt s GLN 15 Ca 0.66 0.14 -0.12 0.00 -1.82 0.00 0.00 55.36 54.21 1ozt s GLN 15 Cb -0.33 0.50 0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1ozt s GLN 15 CO 0.28 -0.35 0.56 0.41 -1.32 0.00 0.00 175.29 174.86 1ozt n GLY 16 N 0.69 0.52 2.84 2.60 0.00 -1.08 -0.24 105.19 110.53 1ozt n GLY 16 Ca -0.18 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 1ozt n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozt s ILE 17 N -2.13 0.30 0.03 -0.61 1.01 -0.93 -0.74 121.20 118.14 1ozt s ILE 17 Ca 0.13 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1ozt s ILE 17 Cb -0.00 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 1ozt s ILE 17 CO 0.00 0.18 -0.26 -0.63 0.00 0.00 0.00 174.94 174.23 1ozt s ILE 18 N 1.03 2.10 0.15 2.92 -1.09 -0.60 -2.48 121.20 123.23 1ozt s ILE 18 Ca -0.10 -1.32 0.11 0.00 -2.23 0.00 0.00 60.65 57.11 1ozt s ILE 18 Cb -0.14 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 1ozt s ILE 18 CO -0.01 0.40 -0.25 0.20 -1.23 0.00 0.00 174.94 174.05 1ozt s ASN 19 N -1.10 3.25 0.02 3.58 0.01 0.14 -1.30 114.94 119.53 1ozt s ASN 19 Ca 0.11 -0.80 0.04 0.00 -0.71 0.00 0.00 52.86 51.51 1ozt s ASN 19 Cb -0.10 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.32 1ozt s ASN 19 CO 0.01 0.13 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.25 1ozt s PHE 20 N -1.37 1.14 -0.13 2.20 0.40 0.19 -1.69 117.98 118.72 1ozt s PHE 20 Ca 0.16 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 56.13 1ozt s PHE 20 Cb -0.09 -0.69 0.06 0.00 0.51 0.00 0.00 43.02 42.81 1ozt s PHE 20 CO 0.07 0.01 0.29 -2.00 0.70 0.00 0.00 175.22 174.29 1ozt s GLU 21 N -0.87 0.21 -0.35 0.44 2.12 -0.19 -1.32 118.70 118.75 1ozt s GLU 21 Ca 0.02 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1ozt s GLU 21 Cb -0.07 -0.04 0.11 0.00 0.26 0.00 0.00 34.13 34.39 1ozt s GLU 21 CO 0.01 -0.22 0.14 -1.14 -0.54 0.00 0.00 175.26 173.51 1ozt s GLN 22 N 1.85 0.90 0.60 4.30 0.74 -0.70 -0.17 119.66 127.18 1ozt s GLN 22 Ca -0.05 -1.38 0.39 0.00 0.05 0.00 0.00 55.36 54.37 1ozt s GLN 22 Cb -0.11 -2.12 1.87 0.00 1.10 0.00 0.00 33.01 33.74 1ozt s GLN 22 CO -0.09 -1.04 2.16 0.87 -0.55 0.00 0.00 175.29 176.64 1ozt h LYS 23 N 7.65 0.00 -3.96 1.67 1.57 -1.80 -2.81 116.57 118.89 1ozt h LYS 23 Ca -0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.40 1ozt h LYS 23 Cb 0.99 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.01 1ozt h LYS 23 CO 0.47 0.00 -0.74 -1.21 -0.57 0.00 0.00 179.45 177.40 1ozt s GLU 24 N -3.89 0.22 0.25 3.15 2.02 -1.26 -3.70 118.70 115.49 1ozt s GLU 24 Ca -0.02 -0.06 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 1ozt s GLU 24 Cb 0.11 -0.25 0.52 0.00 0.10 0.00 0.00 34.13 34.61 1ozt s GLU 24 CO 0.48 0.02 1.31 0.45 0.02 0.00 0.00 175.26 177.53 1ozt n SER 25 N 3.23 -0.19 -1.09 -0.19 2.88 -1.26 0.16 113.62 117.15 1ozt n SER 25 Ca -0.15 1.43 0.08 0.00 -1.33 0.00 0.00 58.87 58.90 1ozt n SER 25 Cb 0.57 -0.48 0.28 0.00 -0.75 0.00 0.00 64.21 63.84 1ozt n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ozt n ASN 26 N -5.28 4.16 -3.73 -3.46 6.94 -1.26 -4.89 115.26 107.74 1ozt n ASN 26 Ca 0.17 -2.83 -0.15 0.00 -0.02 0.00 0.00 54.58 51.75 1ozt n ASN 26 Cb 0.54 -0.53 0.07 0.00 -2.36 0.00 0.00 39.78 37.50 1ozt n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ozt n GLY 27 N -0.05 0.94 3.84 4.83 0.00 0.12 -5.09 105.19 109.78 1ozt n GLY 27 Ca 0.22 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 1ozt n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ozt s PRO 28 N -4.09 3.23 -0.16 1.61 0.02 -1.26 -4.88 135.00 129.48 1ozt s PRO 28 Ca 0.43 0.90 -0.03 0.00 0.02 0.00 0.00 61.00 62.33 1ozt s PRO 28 Cb -0.03 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 1ozt s PRO 28 CO 0.28 -0.86 -0.07 0.08 -0.33 0.00 0.00 177.00 176.10 1ozt s VAL 29 N -3.03 3.56 -0.12 3.83 1.01 0.67 -4.39 120.40 121.93 1ozt s VAL 29 Ca 0.57 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1ozt s VAL 29 Cb -0.13 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1ozt s VAL 29 CO 0.52 0.49 0.35 -0.54 0.00 0.00 0.00 175.10 175.92 1ozt s LYS 30 N 0.50 4.16 -0.09 2.72 1.02 0.76 -1.39 119.74 127.43 1ozt s LYS 30 Ca -0.05 0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.17 1ozt s LYS 30 Cb -0.15 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1ozt s LYS 30 CO 0.03 0.34 -0.09 0.54 -0.92 0.00 0.00 175.35 175.26 1ozt s VAL 31 N 0.11 1.00 0.14 3.17 0.11 -0.44 -1.02 120.40 123.47 1ozt s VAL 31 Ca 0.20 -0.33 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 1ozt s VAL 31 Cb -0.14 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1ozt s VAL 31 CO 0.07 0.34 0.31 -1.66 -3.33 0.00 0.00 175.10 170.84 1ozt s TRP 32 N 1.22 0.16 -5.00 1.54 -2.14 -0.68 -0.60 118.94 113.43 1ozt s TRP 32 Ca -0.05 -0.53 0.00 0.00 2.66 0.00 0.00 56.10 58.19 1ozt s TRP 32 Cb -0.14 0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.29 1ozt s TRP 32 CO -0.02 -0.70 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1ozt n GLY 33 N -0.20 0.16 3.21 3.67 0.00 -0.73 0.23 105.19 111.55 1ozt n GLY 33 Ca -0.11 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 1ozt n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ozt s SER 34 N -4.00 0.08 -0.03 1.61 1.04 -1.03 -0.02 113.70 111.34 1ozt s SER 34 Ca 0.00 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 55.87 1ozt s SER 34 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1ozt s SER 34 CO 0.00 -0.72 -0.10 -0.63 0.98 0.00 0.00 173.24 172.77 1ozt s ILE 35 N -3.71 0.87 0.33 -1.02 1.01 -0.13 -2.19 121.20 116.36 1ozt s ILE 35 Ca 0.04 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.35 1ozt s ILE 35 Cb 0.04 -0.77 -0.07 0.00 0.01 0.00 0.00 42.46 41.68 1ozt s ILE 35 CO -0.10 0.27 -0.04 -1.59 0.00 0.00 0.00 174.94 173.47 1ozt s LYS 36 N 0.17 1.73 0.00 2.79 -2.85 0.67 0.16 119.74 122.41 1ozt s LYS 36 Ca -0.03 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 53.02 1ozt s LYS 36 Cb -0.09 -1.39 0.00 0.00 -2.06 0.00 0.00 37.83 34.29 1ozt s LYS 36 CO 0.01 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1ozt n GLY 37 N -0.74 0.52 3.90 0.59 0.00 -0.94 -1.30 105.19 107.22 1ozt n GLY 37 Ca -0.05 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1ozt n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozt s LEU 38 N 0.00 4.26 0.42 0.99 1.02 -0.39 -4.10 118.68 120.88 1ozt s LEU 38 Ca 0.00 0.55 -0.22 0.00 0.02 0.00 0.00 54.13 54.48 1ozt s LEU 38 Cb 0.00 -3.28 -0.10 0.00 0.02 0.00 0.00 46.19 42.83 1ozt s LEU 38 CO 0.00 0.04 1.00 0.42 0.02 0.00 0.00 176.35 177.83 1ozt s THR 39 N -1.70 4.02 0.25 5.49 -4.23 -1.26 -3.90 115.64 114.31 1ozt s THR 39 Ca 0.40 1.38 -0.31 0.00 -1.18 0.00 0.00 61.69 61.99 1ozt s THR 39 Cb -0.12 -3.63 -0.13 0.00 1.34 0.00 0.00 72.50 69.96 1ozt s THR 39 CO 0.26 -0.15 1.45 1.21 -0.54 0.00 0.00 174.62 176.85 1ozt n GLU 40 N -0.43 2.21 0.00 3.99 2.13 -1.26 -4.61 120.64 122.66 1ozt n GLU 40 Ca 0.06 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1ozt n GLU 40 Cb 0.52 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1ozt n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ozt n GLY 41 N 2.14 0.52 3.77 8.31 0.00 0.69 -4.90 105.19 115.72 1ozt n GLY 41 Ca 0.11 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 1ozt n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozt s LEU 42 N 0.00 4.57 -0.03 0.99 1.02 -1.26 -0.02 118.68 123.95 1ozt s LEU 42 Ca 0.00 1.66 -0.01 0.00 0.02 0.00 0.00 54.13 55.80 1ozt s LEU 42 Cb 0.00 -3.34 0.03 0.00 0.02 0.00 0.00 46.19 42.90 1ozt s LEU 42 CO 0.00 0.16 0.06 -1.00 0.02 0.00 0.00 176.35 175.58 1ozt s HIS 43 N -0.91 0.00 0.42 0.29 3.76 -0.25 -3.07 115.29 115.53 1ozt s HIS 43 Ca 0.37 0.22 -0.25 0.00 -0.15 0.00 0.00 55.06 55.25 1ozt s HIS 43 Cb -0.23 -0.26 -0.10 0.00 1.11 0.00 0.00 32.58 33.11 1ozt s HIS 43 CO 0.27 -0.12 1.21 0.41 -0.85 0.00 0.00 174.74 175.66 1ozt n GLY 44 N 4.40 0.38 2.71 -2.22 0.00 -0.10 -0.78 105.19 109.58 1ozt n GLY 44 Ca -0.23 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1ozt n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ozt s PHE 45 N -1.22 1.06 0.08 1.61 5.36 -0.59 0.10 117.98 124.38 1ozt s PHE 45 Ca 0.62 -1.02 -0.02 0.00 -0.96 0.00 0.00 56.93 55.55 1ozt s PHE 45 Cb -0.52 -1.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.99 1ozt s PHE 45 CO 0.57 -0.69 0.02 1.03 -1.46 0.00 0.00 175.22 174.70 1ozt s ARG 46 N 1.85 0.73 -0.23 10.12 0.52 -0.48 -1.81 118.95 129.65 1ozt s ARG 46 Ca 0.02 -1.27 -0.09 0.00 -0.52 0.00 0.00 55.73 53.88 1ozt s ARG 46 Cb -0.17 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 1ozt s ARG 46 CO -0.15 -0.17 0.12 0.08 0.02 0.00 0.00 175.30 175.20 1ozt s VAL 47 N -3.95 5.03 0.20 3.52 1.01 0.19 0.26 120.40 126.65 1ozt s VAL 47 Ca 0.12 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1ozt s VAL 47 Cb 0.08 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1ozt s VAL 47 CO -0.06 0.36 0.29 -1.00 0.00 0.00 0.00 175.10 174.69 1ozt s HIS 48 N 1.04 3.41 0.28 5.22 0.09 0.13 0.07 115.29 125.54 1ozt s HIS 48 Ca 0.06 0.03 0.01 0.00 -0.00 0.00 0.00 55.06 55.16 1ozt s HIS 48 Cb -0.14 -1.59 0.56 0.00 -0.00 0.00 0.00 32.58 31.41 1ozt s HIS 48 CO 0.04 0.49 1.82 1.49 -0.00 0.00 0.00 174.74 178.58 1ozt h GLU 49 N 1.72 0.89 -5.87 1.40 4.81 -1.00 -2.83 114.58 113.71 1ozt h GLU 49 Ca -0.50 -0.05 -0.67 0.00 -0.13 0.00 0.00 59.36 58.01 1ozt h GLU 49 Cb 1.21 -0.20 -0.22 0.00 0.63 0.00 0.00 28.75 30.17 1ozt h GLU 49 CO 0.64 0.59 -0.72 -0.06 -0.73 0.00 0.00 179.01 178.74 1ozt s PHE 50 N -5.95 2.89 -0.38 0.92 0.08 0.13 -4.71 117.98 110.95 1ozt s PHE 50 Ca -0.12 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 1ozt s PHE 50 Cb 0.22 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.95 1ozt s PHE 50 CO 0.80 0.14 2.75 0.41 -0.10 0.00 0.00 175.22 179.23 1ozt n GLY 51 N 2.72 4.16 3.32 4.36 0.00 -1.04 -3.56 105.19 115.15 1ozt n GLY 51 Ca -0.18 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 1ozt n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozt s ASP 52 N 0.51 5.00 -0.18 1.61 -1.08 -1.26 -4.95 116.67 116.32 1ozt s ASP 52 Ca 0.56 -0.75 0.16 0.00 -0.52 0.00 0.00 52.55 51.99 1ozt s ASP 52 Cb 0.36 -1.84 0.41 0.00 -1.46 0.00 0.00 42.92 40.39 1ozt s ASP 52 CO -0.17 -0.19 1.29 -3.20 0.52 0.00 0.00 175.17 173.43 1ozt n ASN 53 N 4.83 2.75 0.27 -0.34 4.05 -1.26 -2.83 115.26 122.72 1ozt n ASN 53 Ca -0.15 -3.29 0.10 0.00 0.45 0.00 0.00 54.58 51.69 1ozt n ASN 53 Cb 0.48 -0.51 0.70 0.00 1.23 0.00 0.00 39.78 41.68 1ozt n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1ozt h THR 54 N 0.84 0.86 -1.79 -0.44 1.35 -1.93 -2.98 112.91 108.82 1ozt h THR 54 Ca 0.03 -0.12 -0.53 0.00 -0.55 0.00 0.00 66.41 65.25 1ozt h THR 54 Cb 1.24 1.07 -0.41 0.00 -1.73 0.00 0.00 68.15 68.31 1ozt h THR 54 CO 0.13 0.03 -0.87 0.00 -0.25 0.00 0.00 175.52 174.56 1ozt n ALA 55 N -2.46 4.07 -0.72 6.62 0.00 -1.26 -5.05 120.51 121.70 1ozt n ALA 55 Ca -0.03 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1ozt n ALA 55 Cb 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1ozt n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ozt n GLY 56 N -0.18 0.47 0.03 0.00 0.00 -1.13 -3.00 105.19 101.37 1ozt n GLY 56 Ca 0.29 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.57 1ozt n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozt h THR 58 N 0.00 1.26 0.00 0.00 2.02 -1.88 -2.50 112.91 111.82 1ozt h THR 58 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1ozt h THR 58 Cb 0.40 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1ozt h THR 58 CO 0.00 0.35 0.00 -1.20 0.37 0.00 0.00 175.52 175.04 1ozt n SER 59 N -4.28 0.04 0.20 4.18 7.64 -1.19 -2.29 113.62 117.92 1ozt n SER 59 Ca 0.06 0.51 0.14 0.00 1.01 0.00 0.00 58.87 60.60 1ozt n SER 59 Cb 0.22 -0.52 0.68 0.00 -1.01 0.00 0.00 64.21 63.58 1ozt n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ozt h ALA 60 N 2.31 1.00 -0.16 -0.43 0.00 -1.28 -3.40 119.26 117.29 1ozt h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ozt h ALA 60 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ozt h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ozt n GLY 61 N -0.58 -1.27 3.79 0.00 0.00 -0.97 -0.69 105.19 105.47 1ozt n GLY 61 Ca -0.00 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 1ozt n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ozt s PRO 62 N 0.00 1.30 0.65 1.61 0.04 -1.26 -4.69 135.00 132.65 1ozt s PRO 62 Ca 0.00 0.34 -0.17 0.00 0.04 0.00 0.00 61.00 61.21 1ozt s PRO 62 Cb 0.00 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 1ozt s PRO 62 CO 0.00 -2.10 1.19 -3.38 0.04 0.00 0.00 177.00 172.75 1ozt s HIS 63 N -3.26 2.32 0.24 0.56 -3.43 -1.26 -0.94 115.29 109.52 1ozt s HIS 63 Ca 0.63 1.55 -0.30 0.00 -0.80 0.00 0.00 55.06 56.14 1ozt s HIS 63 Cb -0.15 -3.42 -0.09 0.00 -1.43 0.00 0.00 32.58 27.49 1ozt s HIS 63 CO 0.53 -2.24 1.33 0.12 -2.00 0.00 0.00 174.74 172.48 1ozt s PHE 64 N -1.85 3.18 -0.30 0.38 5.36 0.11 -4.42 117.98 120.44 1ozt s PHE 64 Ca 0.74 1.24 -0.09 0.00 -0.96 0.00 0.00 56.93 57.87 1ozt s PHE 64 Cb -0.28 -3.65 0.19 0.00 -0.34 0.00 0.00 43.02 38.94 1ozt s PHE 64 CO 0.38 -1.98 0.99 1.21 -1.46 0.00 0.00 175.22 174.36 1ozt s ASN 65 N 0.12 -0.56 0.00 6.13 2.47 -1.26 -1.17 114.94 120.67 1ozt s ASN 65 Ca 0.55 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.86 1ozt s ASN 65 Cb -0.38 1.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.70 1ozt s ASN 65 CO 0.42 -0.10 0.00 -2.65 -3.72 0.00 0.00 177.10 171.05 1ozt n PRO 66 N 4.99 0.00 -3.40 0.43 -0.02 -1.26 -4.99 135.00 130.76 1ozt n PRO 66 Ca 0.09 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.39 1ozt n PRO 66 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.96 1ozt n PRO 66 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ozt s LEU 67 N 0.00 -0.22 -0.00 2.45 2.01 -1.26 -5.10 118.68 116.56 1ozt s LEU 67 Ca 0.00 -0.83 0.05 0.00 0.01 0.00 0.00 54.13 53.35 1ozt s LEU 67 Cb 0.00 0.50 0.14 0.00 0.01 0.00 0.00 46.19 46.84 1ozt s LEU 67 CO 0.00 -0.38 1.11 1.21 1.01 0.00 0.00 176.35 179.30 1ozt n GLU 78 N 5.22 1.37 -3.11 1.70 4.07 -1.26 -5.21 120.64 123.42 1ozt n GLU 78 Ca -0.01 -0.56 -0.40 0.00 -0.06 0.00 0.00 57.16 56.13 1ozt n GLU 78 Cb 0.46 -1.13 -0.05 0.00 -0.06 0.00 0.00 31.44 30.66 1ozt n GLU 78 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1ozt s ARG 79 N -1.78 4.28 0.18 5.31 6.06 -1.26 -5.05 118.95 126.68 1ozt s ARG 79 Ca 0.10 0.68 -0.30 0.00 -2.50 0.00 0.00 55.73 53.72 1ozt s ARG 79 Cb 0.05 -3.54 -0.08 0.00 0.06 0.00 0.00 34.95 31.45 1ozt s ARG 79 CO 0.07 -0.14 1.03 -1.01 -2.50 0.00 0.00 175.30 172.75 1ozt s HIS 80 N 1.57 3.72 0.22 5.12 3.76 -1.26 -4.93 115.29 123.49 1ozt s HIS 80 Ca 0.31 1.72 -0.13 0.00 -0.15 0.00 0.00 55.06 56.81 1ozt s HIS 80 Cb -0.16 -3.16 0.26 0.00 1.11 0.00 0.00 32.58 30.63 1ozt s HIS 80 CO 0.12 -0.18 1.62 0.28 -0.85 0.00 0.00 174.74 175.72 1ozt h VAL 81 N 3.65 0.31 0.00 -0.90 2.07 -1.94 0.05 116.25 119.49 1ozt h VAL 81 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ozt h VAL 81 Cb 1.21 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1ozt h VAL 81 CO 0.71 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1ozt n GLY 82 N -1.46 -0.95 3.59 2.17 0.00 -0.32 -4.42 105.19 103.81 1ozt n GLY 82 Ca 0.09 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1ozt n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozt s ASP 83 N -2.48 6.62 0.00 1.61 1.01 0.00 -0.64 116.67 122.79 1ozt s ASP 83 Ca 0.23 0.42 0.19 0.00 0.71 0.00 0.00 52.55 54.10 1ozt s ASP 83 Cb 0.15 -2.52 0.54 0.00 1.01 0.00 0.00 42.92 42.09 1ozt s ASP 83 CO 0.32 -1.18 1.45 0.18 0.21 0.00 0.00 175.17 176.15 1ozt n LEU 84 N 7.62 3.64 0.00 1.23 4.77 -0.75 -4.86 117.00 128.64 1ozt n LEU 84 Ca 0.11 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1ozt n LEU 84 Cb 0.49 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ozt n LEU 84 CO 0.69 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 178.27 1ozt n GLY 85 N 1.31 0.69 3.27 -0.72 0.00 -1.23 -4.88 105.19 103.63 1ozt n GLY 85 Ca 0.21 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1ozt n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ozt s ASN 86 N -4.00 1.44 0.19 1.61 0.01 -1.26 -1.55 114.94 111.39 1ozt s ASN 86 Ca 0.00 -1.18 0.10 0.00 -0.71 0.00 0.00 52.86 51.07 1ozt s ASN 86 Cb 0.00 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.69 1ozt s ASN 86 CO 0.00 -0.54 -0.21 0.68 -1.51 0.00 0.00 177.10 175.52 1ozt s VAL 87 N -3.56 2.15 -0.13 1.60 -7.23 0.04 -4.85 120.40 108.42 1ozt s VAL 87 Ca 0.25 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1ozt s VAL 87 Cb 0.06 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1ozt s VAL 87 CO 0.05 -0.22 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.53 1ozt s THR 88 N -1.88 2.21 -0.18 5.32 2.01 -1.26 -1.09 115.64 120.77 1ozt s THR 88 Ca 0.19 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 1ozt s THR 88 Cb -0.07 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1ozt s THR 88 CO 0.09 0.55 0.12 0.00 -0.69 0.00 0.00 174.62 174.69 1ozt s ALA 89 N 0.61 3.70 1.00 7.40 0.00 0.97 -4.06 121.76 131.38 1ozt s ALA 89 Ca -0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1ozt s ALA 89 Cb -0.16 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.85 1ozt s ALA 89 CO 0.03 0.25 0.03 -0.40 0.00 0.00 0.00 175.76 175.66 1ozt n ASP 90 N 3.23 -0.53 0.26 0.00 5.68 0.08 -0.22 116.55 125.06 1ozt n ASP 90 Ca -0.17 -0.75 0.18 0.00 -0.50 0.00 0.00 54.79 53.54 1ozt n ASP 90 Cb 0.53 -0.02 0.81 0.00 -1.14 0.00 0.00 41.12 41.30 1ozt n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1ozt h LYS 91 N 0.00 0.00 -0.42 0.11 2.10 -1.97 -1.79 116.57 114.60 1ozt h LYS 91 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1ozt h LYS 91 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1ozt h LYS 91 CO 0.01 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.21 1ozt n ASP 92 N -2.86 2.53 -0.07 7.07 8.00 -1.26 -4.84 116.55 125.12 1ozt n ASP 92 Ca -0.01 -1.95 -0.01 0.00 0.71 0.00 0.00 54.79 53.54 1ozt n ASP 92 Cb 0.19 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1ozt n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ozt n GLY 93 N 1.27 0.48 3.61 0.44 0.00 -0.67 -4.76 105.19 105.56 1ozt n GLY 93 Ca 0.17 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1ozt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozt s VAL 94 N -1.90 4.34 -0.20 1.61 1.01 -1.26 -1.26 120.40 122.74 1ozt s VAL 94 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1ozt s VAL 94 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1ozt s VAL 94 CO 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 175.52 1ozt s ALA 95 N -0.06 2.64 -0.28 5.51 0.00 0.12 -0.74 121.76 128.96 1ozt s ALA 95 Ca 0.04 -1.17 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 1ozt s ALA 95 Cb -0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1ozt s ALA 95 CO 0.02 -0.36 0.45 0.34 0.00 0.00 0.00 175.76 176.21 1ozt s ASP 96 N 1.35 6.33 -0.15 0.00 2.15 -1.26 -0.96 116.67 124.13 1ozt s ASP 96 Ca 0.04 0.29 -0.07 0.00 0.43 0.00 0.00 52.55 53.25 1ozt s ASP 96 Cb -0.14 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1ozt s ASP 96 CO -0.06 -0.28 0.09 -0.69 -0.17 0.00 0.00 175.17 174.06 1ozt s VAL 97 N 2.21 5.08 -0.29 1.11 1.01 0.97 -4.79 120.40 125.71 1ozt s VAL 97 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1ozt s VAL 97 Cb -0.16 -3.25 0.18 0.00 0.00 0.00 0.00 36.38 33.16 1ozt s VAL 97 CO 0.10 0.54 0.56 -0.55 0.00 0.00 0.00 175.10 175.75 1ozt s SER 98 N -0.33 -1.11 0.07 3.32 0.15 -1.25 -1.76 113.70 112.80 1ozt s SER 98 Ca 0.10 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1ozt s SER 98 Cb -0.12 1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 66.09 1ozt s SER 98 CO 0.01 -0.28 -0.05 -0.63 1.20 0.00 0.00 173.24 173.50 1ozt s ILE 99 N 2.79 0.45 -0.05 6.45 1.01 0.23 -5.01 121.20 127.07 1ozt s ILE 99 Ca 0.17 -1.87 -0.00 0.00 0.00 0.00 0.00 60.65 58.95 1ozt s ILE 99 Cb -0.14 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.75 1ozt s ILE 99 CO -0.21 -0.94 -0.00 -0.70 0.00 0.00 0.00 174.94 173.09 1ozt s GLU 100 N -3.88 0.47 -0.00 2.79 2.12 -1.26 -1.33 118.70 117.61 1ozt s GLU 100 Ca 0.09 0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.54 1ozt s GLU 100 Cb 0.07 -0.74 -0.01 0.00 0.26 0.00 0.00 34.13 33.71 1ozt s GLU 100 CO -0.07 -0.21 -0.07 0.34 -0.54 0.00 0.00 175.26 174.71 1ozt s ASP 101 N 1.49 0.79 -0.07 -1.70 -1.08 -0.48 -4.96 116.67 110.67 1ozt s ASP 101 Ca -0.03 -0.16 0.11 0.00 -0.52 0.00 0.00 52.55 51.95 1ozt s ASP 101 Cb -0.13 -0.08 0.28 0.00 -1.46 0.00 0.00 42.92 41.53 1ozt s ASP 101 CO -0.03 0.06 1.20 -1.54 0.52 0.00 0.00 175.17 175.38 1ozt n SER 102 N 2.78 2.79 -0.12 -0.34 3.41 -1.26 -0.24 113.62 120.63 1ozt n SER 102 Ca -0.14 -2.49 -0.25 0.00 -0.26 0.00 0.00 58.87 55.73 1ozt n SER 102 Cb 0.57 -0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 1ozt n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1ozt n VAL 103 N -0.43 1.54 -1.31 -3.33 0.31 -1.26 -4.91 118.33 108.93 1ozt n VAL 103 Ca 0.12 -0.39 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 1ozt n VAL 103 Cb 0.54 -1.79 0.10 0.00 -0.91 0.00 0.00 33.84 31.77 1ozt n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ozt s ILE 104 N -2.49 3.26 0.12 2.52 -4.36 -1.26 -4.86 121.20 114.13 1ozt s ILE 104 Ca -0.35 0.41 -0.13 0.00 -0.26 0.00 0.00 60.65 60.32 1ozt s ILE 104 Cb 0.12 -2.95 0.02 0.00 1.25 0.00 0.00 42.46 40.90 1ozt s ILE 104 CO 0.55 -0.53 0.33 -0.55 0.24 0.00 0.00 174.94 174.97 1ozt s SER 105 N -3.49 -0.09 0.00 4.36 0.15 -0.81 -4.68 113.70 109.14 1ozt s SER 105 Ca 0.61 -0.51 0.21 0.00 0.70 0.00 0.00 55.95 56.96 1ozt s SER 105 Cb -0.17 0.43 0.58 0.00 -1.71 0.00 0.00 66.02 65.15 1ozt s SER 105 CO 0.56 -0.84 1.48 0.18 1.20 0.00 0.00 173.24 175.83 1ozt n LEU 106 N -0.18 3.53 -3.75 3.45 4.77 -1.26 -0.99 117.00 122.57 1ozt n LEU 106 Ca -0.14 -1.73 -0.08 0.00 -0.03 0.00 0.00 56.01 54.03 1ozt n LEU 106 Cb 0.63 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1ozt n LEU 106 CO 0.20 0.86 0.45 -0.94 -1.33 0.00 0.00 177.39 176.63 1ozt s SER 107 N -1.08 -0.33 0.14 -1.43 1.04 -1.26 -4.79 113.70 105.98 1ozt s SER 107 Ca 0.44 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1ozt s SER 107 Cb 0.23 0.69 0.00 0.00 0.10 0.00 0.00 66.02 67.05 1ozt s SER 107 CO 0.31 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1ozt n GLY 108 N -0.44 -1.34 0.28 7.32 0.00 -1.26 -3.33 105.19 106.42 1ozt n GLY 108 Ca -0.07 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 44.82 1ozt n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ozt h ASP 109 N 0.00 0.00 -0.53 1.61 3.32 -2.01 -2.17 116.42 116.65 1ozt h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ozt h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ozt h ASP 109 CO 0.00 0.05 0.00 1.41 -1.72 0.00 0.00 179.24 178.98 1ozt n HIS 110 N -3.78 1.35 -1.68 4.55 8.25 -1.26 -4.91 115.22 117.74 1ozt n HIS 110 Ca -0.03 -0.67 -0.45 0.00 -0.26 0.00 0.00 57.72 56.32 1ozt n HIS 110 Cb 0.14 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.94 1ozt n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ozt n ILE 112 N 4.25 0.58 -2.52 0.00 -5.35 -0.16 -4.92 119.36 111.23 1ozt n ILE 112 Ca 0.18 -0.79 -0.41 0.00 -0.27 0.00 0.00 62.75 61.46 1ozt n ILE 112 Cb 0.32 0.88 -0.04 0.00 -1.74 0.00 0.00 39.64 39.07 1ozt n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ozt s ILE 113 N -1.27 4.02 0.00 7.28 1.01 -1.26 -2.35 121.20 128.63 1ozt s ILE 113 Ca 0.33 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.63 1ozt s ILE 113 Cb 0.19 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1ozt s ILE 113 CO 0.26 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1ozt n GLY 114 N 2.39 0.72 3.84 6.18 0.00 -0.13 -5.01 105.19 113.18 1ozt n GLY 114 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1ozt n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozt n ARG 115 N -2.00 0.64 -4.63 1.61 1.74 -0.99 -2.49 116.66 110.55 1ozt n ARG 115 Ca 0.00 -3.28 -0.33 0.00 -0.77 0.00 0.00 57.85 53.47 1ozt n ARG 115 Cb 0.00 0.08 -0.11 0.00 -1.02 0.00 0.00 32.46 31.40 1ozt n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ozt s THR 116 N -2.66 3.56 -0.15 0.55 2.01 -1.07 -0.55 115.64 117.33 1ozt s THR 116 Ca 0.45 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 1ozt s THR 116 Cb -0.04 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1ozt s THR 116 CO 0.29 0.54 0.08 -0.22 -0.69 0.00 0.00 174.62 174.61 1ozt s LEU 117 N -0.97 3.97 -0.01 4.42 2.96 -0.53 0.22 118.68 128.74 1ozt s LEU 117 Ca 0.14 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1ozt s LEU 117 Cb -0.11 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1ozt s LEU 117 CO 0.03 0.28 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.55 1ozt s VAL 118 N -0.28 0.86 -0.18 1.68 1.01 0.14 -2.62 120.40 121.02 1ozt s VAL 118 Ca 0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1ozt s VAL 118 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1ozt s VAL 118 CO 0.01 0.25 -0.03 0.54 0.00 0.00 0.00 175.10 175.87 1ozt s VAL 119 N -0.11 3.77 0.23 2.92 0.11 -0.70 -1.38 120.40 125.23 1ozt s VAL 119 Ca 0.02 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.64 1ozt s VAL 119 Cb -0.06 -2.67 -0.05 0.00 -1.53 0.00 0.00 36.38 32.07 1ozt s VAL 119 CO -0.00 0.47 0.46 -1.00 -3.33 0.00 0.00 175.10 171.70 1ozt s HIS 120 N 0.71 3.47 0.16 1.54 3.76 0.12 -1.30 115.29 123.76 1ozt s HIS 120 Ca -0.02 0.53 -0.15 0.00 -0.15 0.00 0.00 55.06 55.28 1ozt s HIS 120 Cb -0.14 -2.01 0.09 0.00 1.11 0.00 0.00 32.58 31.63 1ozt s HIS 120 CO 0.02 0.30 1.76 1.49 -0.85 0.00 0.00 174.74 177.46 1ozt h GLU 121 N 2.06 0.33 -6.20 1.40 4.81 -0.60 -3.31 114.58 113.08 1ozt h GLU 121 Ca -0.47 -0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.24 1ozt h GLU 121 Cb 1.18 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1ozt h GLU 121 CO 0.68 0.22 -0.52 0.15 -0.73 0.00 0.00 179.01 178.81 1ozt s LYS 122 N -6.15 2.97 0.74 1.92 1.02 -1.26 -4.83 119.74 114.15 1ozt s LYS 122 Ca -0.13 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 54.69 1ozt s LYS 122 Cb 0.13 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1ozt s LYS 122 CO 0.72 0.40 1.14 0.00 -0.92 0.00 0.00 175.35 176.69 1ozt s ALA 123 N -2.12 2.16 -0.31 5.17 0.00 -1.17 -0.93 121.76 124.55 1ozt s ALA 123 Ca 0.33 0.60 -0.22 0.00 0.00 0.00 0.00 51.96 52.67 1ozt s ALA 123 Cb -0.08 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1ozt s ALA 123 CO 0.25 -1.79 0.71 0.34 0.00 0.00 0.00 175.76 175.28 1ozt s ASP 124 N -2.59 6.57 0.14 0.00 -1.08 -1.26 -4.64 116.67 113.82 1ozt s ASP 124 Ca 0.68 0.51 -0.12 0.00 -0.52 0.00 0.00 52.55 53.10 1ozt s ASP 124 Cb -0.23 -2.37 -0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1ozt s ASP 124 CO 0.48 -0.57 1.56 -0.78 0.52 0.00 0.00 175.17 176.38 1ozt h ASP 125 N 8.20 0.88 0.00 -0.34 1.82 -1.97 -3.47 116.42 121.55 1ozt h ASP 125 Ca -0.25 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 1ozt h ASP 125 Cb 1.11 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1ozt h ASP 125 CO 0.85 1.03 0.00 0.18 -1.61 0.00 0.00 179.24 179.69 1ozt n LEU 126 N -4.27 0.00 0.00 2.28 4.77 -1.26 -5.19 117.00 113.33 1ozt n LEU 126 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ozt n LEU 126 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ozt n LEU 126 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ozt n GLY 127 N 0.00 0.00 0.00 -0.72 0.00 -1.26 -5.26 105.19 97.95 1ozt n GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ozt n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozt n GLY 141 N 0.00 -2.20 3.26 -0.02 0.00 -1.26 -5.23 105.19 99.74 1ozt n GLY 141 Ca 0.00 0.79 -0.15 0.00 0.00 0.00 0.00 46.02 46.66 1ozt n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ozt s SER 142 N 2.00 1.80 -0.48 1.61 1.04 -1.26 -4.97 113.70 113.44 1ozt s SER 142 Ca 0.00 -1.05 -0.26 0.00 0.48 0.00 0.00 55.95 55.12 1ozt s SER 142 Cb 0.00 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1ozt s SER 142 CO 0.00 -0.36 0.97 -0.13 0.98 0.00 0.00 173.24 174.70 1ozt s ARG 143 N -3.77 3.54 0.06 4.02 0.52 -1.26 0.17 118.95 122.23 1ozt s ARG 143 Ca 0.19 0.18 -0.16 0.00 -0.52 0.00 0.00 55.73 55.42 1ozt s ARG 143 Cb 0.03 -3.94 -0.18 0.00 0.52 0.00 0.00 34.95 31.38 1ozt s ARG 143 CO 0.02 -1.30 1.23 -0.07 0.02 0.00 0.00 175.30 175.21 1ozt h LEU 144 N 10.78 0.74 -7.01 2.53 3.38 -1.50 -3.47 115.31 120.75 1ozt h LEU 144 Ca -0.24 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.04 1ozt h LEU 144 Cb 1.07 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 1ozt h LEU 144 CO 1.06 1.28 0.20 0.00 0.09 0.00 0.00 178.44 181.07 1ozt s ALA 145 N -3.62 -1.61 0.34 1.53 0.00 -1.20 -4.19 121.76 113.02 1ozt s ALA 145 Ca -0.12 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 1ozt s ALA 145 Cb 0.06 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.98 1ozt s ALA 145 CO 0.86 -0.71 0.75 0.00 0.00 0.00 0.00 175.76 176.66 1ozt s GLY 147 N -3.02 -0.41 0.20 0.00 0.00 -1.08 -0.67 107.32 102.35 1ozt s GLY 147 Ca 0.14 1.25 -0.23 0.00 0.00 0.00 0.00 44.72 45.89 1ozt s GLY 147 CO 0.10 0.45 0.76 0.14 0.00 0.00 0.00 173.10 174.55 1ozt s VAL 148 N -2.75 4.46 -0.41 1.40 1.01 -1.26 -1.45 120.40 121.41 1ozt s VAL 148 Ca 0.05 1.50 -0.24 0.00 0.00 0.00 0.00 61.98 63.29 1ozt s VAL 148 Cb -0.01 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1ozt s VAL 148 CO -0.07 0.35 0.85 -0.63 0.00 0.00 0.00 175.10 175.60 1ozt s ILE 149 N -1.36 4.62 0.33 2.22 1.01 0.28 -4.48 121.20 123.82 1ozt s ILE 149 Ca 0.40 0.82 0.08 0.00 0.00 0.00 0.00 60.65 61.95 1ozt s ILE 149 Cb -0.20 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 1ozt s ILE 149 CO 0.23 -0.62 0.23 -0.83 0.00 0.00 0.00 174.94 173.95 1ozt s GLY 150 N 2.02 1.80 0.04 6.18 0.00 -0.01 -0.95 107.32 116.40 1ozt s GLY 150 Ca 0.34 -1.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 1ozt s GLY 150 CO 0.21 -1.63 1.34 -0.42 0.00 0.00 0.00 173.10 172.60 1ozt s ILE 151 N -2.33 3.72 0.30 0.90 1.01 -1.26 -0.74 121.20 122.80 1ozt s ILE 151 Ca 0.39 1.17 0.08 0.00 0.00 0.00 0.00 60.65 62.29 1ozt s ILE 151 Cb -0.05 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1ozt s ILE 151 CO 0.25 0.04 0.17 0.00 0.00 0.00 0.00 174.94 175.40 1ozt s ALA 152 N 1.79 3.55 -2.00 9.38 0.00 -0.93 -4.79 121.76 128.76 1ozt s ALA 152 Ca 0.62 -1.65 0.27 0.00 0.00 0.00 0.00 51.96 51.20 1ozt s ALA 152 Cb -0.32 -0.99 1.62 0.00 0.00 0.00 0.00 23.12 23.42 1ozt s ALA 152 CO 0.28 0.12 1.96 0.94 0.00 0.00 0.00 175.76 179.06