#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 4.25 0.07 0.00 2.01 -1.06 -4.88 115.64 116.03 1ozt s THR 2 Ca 0.00 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.02 1ozt s THR 2 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1ozt s THR 2 CO 0.00 -0.68 -0.05 -0.54 -0.69 0.00 0.00 174.62 172.66 1ozt s LYS 3 N -4.25 0.70 0.16 4.92 1.02 -1.26 -1.79 119.74 119.24 1ozt s LYS 3 Ca 0.60 -1.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 1ozt s LYS 3 Cb -0.13 -0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.17 1ozt s LYS 3 CO 0.37 -0.05 0.40 0.00 -0.92 0.00 0.00 175.35 175.15 1ozt s ALA 4 N -3.45 -0.58 0.14 5.17 0.00 -0.64 -1.88 121.76 120.52 1ozt s ALA 4 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 1ozt s ALA 4 Cb 0.04 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 1ozt s ALA 4 CO -0.06 -0.70 0.26 0.54 0.00 0.00 0.00 175.76 175.80 1ozt s VAL 5 N -3.89 0.09 -0.16 0.00 0.11 0.35 -0.70 120.40 116.20 1ozt s VAL 5 Ca 0.10 -1.29 -0.09 0.00 -2.93 0.00 0.00 61.98 57.77 1ozt s VAL 5 Cb 0.01 -1.67 0.06 0.00 -1.53 0.00 0.00 36.38 33.25 1ozt s VAL 5 CO -0.04 -0.40 0.38 0.00 -3.33 0.00 0.00 175.10 171.71 1ozt s VAL 7 N 1.32 4.76 -0.07 0.00 1.01 -1.26 -1.24 120.40 124.91 1ozt s VAL 7 Ca -0.09 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1ozt s VAL 7 Cb -0.08 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1ozt s VAL 7 CO -0.11 0.27 0.51 -0.76 0.00 0.00 0.00 175.10 175.01 1ozt s LEU 8 N 1.68 4.33 0.07 3.92 2.01 0.09 -3.87 118.68 126.91 1ozt s LEU 8 Ca 0.06 0.94 -0.12 0.00 0.01 0.00 0.00 54.13 55.02 1ozt s LEU 8 Cb -0.16 -2.76 0.01 0.00 0.01 0.00 0.00 46.19 43.30 1ozt s LEU 8 CO 0.07 0.06 0.27 -0.54 1.01 0.00 0.00 176.35 177.21 1ozt s LYS 9 N 0.25 0.86 0.00 1.70 1.02 -0.07 -2.70 119.74 120.79 1ozt s LYS 9 Ca 0.28 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1ozt s LYS 9 Cb -0.16 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1ozt s LYS 9 CO 0.13 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1ozt n GLY 10 N 0.20 2.26 0.19 -3.33 0.00 -1.25 -0.23 105.19 103.03 1ozt n GLY 10 Ca -0.17 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.73 1.61 3.32 -1.92 -3.46 116.42 115.24 1ozt h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.31 0.00 0.61 -1.72 0.00 0.00 179.24 178.44 1ozt n GLY 12 N 0.73 1.26 0.13 2.75 0.00 -1.26 -5.01 105.19 103.79 1ozt n GLY 12 Ca 0.01 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 0.56 -2.20 1.61 -0.04 -1.26 -4.91 135.00 128.77 1ozt n PRO 13 Ca 0.00 -0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 62.79 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 -2.61 3.46 -0.08 0.52 1.01 -1.26 -4.32 120.40 117.12 1ozt s VAL 14 Ca 0.23 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1ozt s VAL 14 Cb 0.19 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 33.02 1ozt s VAL 14 CO 0.53 0.05 0.78 0.00 0.00 0.00 0.00 175.10 176.47 1ozt s GLN 15 N 1.48 0.91 0.02 2.72 -2.07 -0.67 -3.84 119.66 118.22 1ozt s GLN 15 Ca 0.64 0.19 -0.10 0.00 -1.82 0.00 0.00 55.36 54.28 1ozt s GLN 15 Cb -0.35 0.43 0.03 0.00 -1.09 0.00 0.00 33.01 32.03 1ozt s GLN 15 CO 0.29 -0.29 0.45 0.41 -1.32 0.00 0.00 175.29 174.83 1ozt n GLY 16 N 0.80 0.67 2.79 2.60 0.00 -1.10 -0.59 105.19 110.37 1ozt n GLY 16 Ca -0.16 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.20 0.15 0.04 -0.61 1.01 -0.90 -0.73 121.20 117.96 1ozt s ILE 17 Ca 0.10 0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.98 1ozt s ILE 17 Cb -0.01 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 1ozt s ILE 17 CO 0.01 0.16 -0.26 -0.63 0.00 0.00 0.00 174.94 174.21 1ozt s ILE 18 N 1.25 2.13 0.10 2.92 -1.09 -0.37 -2.47 121.20 123.67 1ozt s ILE 18 Ca -0.07 -1.38 0.10 0.00 -2.23 0.00 0.00 60.65 57.07 1ozt s ILE 18 Cb -0.13 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1ozt s ILE 18 CO -0.02 0.37 -0.25 0.20 -1.23 0.00 0.00 174.94 174.00 1ozt s ASN 19 N -1.23 3.06 0.05 3.58 0.01 0.13 -1.04 114.94 119.51 1ozt s ASN 19 Ca 0.12 -0.68 0.06 0.00 -0.71 0.00 0.00 52.86 51.64 1ozt s ASN 19 Cb -0.10 -0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.32 1ozt s ASN 19 CO 0.02 0.17 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.25 1ozt s PHE 20 N -1.00 1.51 -0.14 2.20 0.40 0.12 -1.19 117.98 119.88 1ozt s PHE 20 Ca 0.11 -0.38 -0.07 0.00 -0.60 0.00 0.00 56.93 56.00 1ozt s PHE 20 Cb -0.10 -0.88 0.06 0.00 0.51 0.00 0.00 43.02 42.61 1ozt s PHE 20 CO 0.04 0.08 0.32 -2.00 0.70 0.00 0.00 175.22 174.37 1ozt s GLU 21 N -1.31 0.27 -0.34 0.44 2.12 -0.09 -1.63 118.70 118.18 1ozt s GLU 21 Ca 0.04 0.69 -0.01 0.00 0.36 0.00 0.00 54.97 56.06 1ozt s GLU 21 Cb -0.09 -0.04 0.11 0.00 0.26 0.00 0.00 34.13 34.38 1ozt s GLU 21 CO 0.02 -0.18 0.15 -1.14 -0.54 0.00 0.00 175.26 173.56 1ozt s GLN 22 N 1.57 0.72 0.59 4.30 0.74 -0.74 -0.03 119.66 126.81 1ozt s GLN 22 Ca -0.07 -1.21 0.36 0.00 0.05 0.00 0.00 55.36 54.49 1ozt s GLN 22 Cb -0.10 -1.84 1.76 0.00 1.10 0.00 0.00 33.01 33.93 1ozt s GLN 22 CO -0.10 -1.06 2.14 0.87 -0.55 0.00 0.00 175.29 176.59 1ozt h LYS 23 N 7.72 0.00 -4.17 1.67 1.57 -1.81 -2.80 116.57 118.75 1ozt h LYS 23 Ca -0.09 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.36 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 0.44 0.03 -0.75 -1.21 -0.57 0.00 0.00 179.45 177.39 1ozt s GLU 24 N -3.95 0.41 0.26 3.15 2.02 -1.26 -3.49 118.70 115.84 1ozt s GLU 24 Ca -0.02 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.85 1ozt s GLU 24 Cb 0.11 -0.42 0.64 0.00 0.10 0.00 0.00 34.13 34.56 1ozt s GLU 24 CO 0.51 0.06 1.31 0.45 0.02 0.00 0.00 175.26 177.61 1ozt n SER 25 N 3.18 -0.10 -0.89 -0.19 2.88 -1.26 0.11 113.62 117.35 1ozt n SER 25 Ca -0.15 1.42 0.08 0.00 -1.33 0.00 0.00 58.87 58.89 1ozt n SER 25 Cb 0.57 -0.52 0.25 0.00 -0.75 0.00 0.00 64.21 63.76 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 -5.20 3.81 -4.14 -3.46 6.94 -1.26 -4.90 115.26 107.05 1ozt n ASN 26 Ca 0.20 -2.87 -0.19 0.00 -0.02 0.00 0.00 54.58 51.70 1ozt n ASN 26 Cb 0.64 -0.51 0.09 0.00 -2.36 0.00 0.00 39.78 37.65 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 -0.33 0.82 3.83 4.83 0.00 0.12 -5.09 105.19 109.38 1ozt n GLY 27 Ca 0.20 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 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 -4.58 3.04 -0.17 1.61 0.02 -1.26 -4.87 135.00 128.79 1ozt s PRO 28 Ca 0.54 0.85 -0.03 0.00 0.02 0.00 0.00 61.00 62.38 1ozt s PRO 28 Cb -0.03 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 1ozt s PRO 28 CO 0.36 -1.00 -0.06 0.08 -0.33 0.00 0.00 177.00 176.05 1ozt s VAL 29 N -3.11 3.54 -0.10 3.83 1.01 0.63 -4.39 120.40 121.81 1ozt s VAL 29 Ca 0.57 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 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 0.55 0.48 0.42 -0.54 0.00 0.00 0.00 175.10 176.00 1ozt s LYS 30 N 0.65 4.22 -0.08 2.72 1.02 0.95 -1.47 119.74 127.76 1ozt s LYS 30 Ca -0.04 0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.32 1ozt s LYS 30 Cb -0.15 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1ozt s LYS 30 CO 0.02 0.30 -0.11 0.54 -0.92 0.00 0.00 175.35 175.19 1ozt s VAL 31 N 0.19 1.08 0.14 3.17 0.11 -0.66 -0.91 120.40 123.53 1ozt s VAL 31 Ca 0.23 -0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 58.73 1ozt s VAL 31 Cb -0.15 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1ozt s VAL 31 CO 0.09 0.35 0.37 -1.66 -3.33 0.00 0.00 175.10 170.93 1ozt s TRP 32 N 0.96 -0.01 -5.00 1.54 -2.14 -0.34 -0.61 118.94 113.35 1ozt s TRP 32 Ca -0.09 -0.34 0.00 0.00 2.66 0.00 0.00 56.10 58.33 1ozt s TRP 32 Cb -0.15 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 1ozt s TRP 32 CO 0.00 -0.73 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1ozt n GLY 33 N -0.22 0.08 3.27 3.67 0.00 -0.71 0.21 105.19 111.48 1ozt n GLY 33 Ca -0.13 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.12 -0.01 1.61 1.04 -1.03 -0.05 113.70 111.14 1ozt s SER 34 Ca 0.00 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1ozt s SER 34 Cb 0.00 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ozt s SER 34 CO 0.00 -0.74 -0.10 -0.63 0.98 0.00 0.00 173.24 172.75 1ozt s ILE 35 N -3.35 0.82 0.34 -1.02 1.01 -0.15 -2.12 121.20 116.74 1ozt s ILE 35 Ca 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1ozt s ILE 35 Cb 0.02 -0.70 -0.07 0.00 0.01 0.00 0.00 42.46 41.72 1ozt s ILE 35 CO -0.08 0.24 0.02 -1.59 0.00 0.00 0.00 174.94 173.52 1ozt s LYS 36 N -0.09 1.73 0.00 2.79 -2.85 0.25 0.28 119.74 121.84 1ozt s LYS 36 Ca 0.01 -1.95 0.00 0.00 -1.00 0.00 0.00 55.97 53.04 1ozt s LYS 36 Cb -0.06 -1.18 0.00 0.00 -2.06 0.00 0.00 37.83 34.54 1ozt s LYS 36 CO -0.00 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.77 1ozt n GLY 37 N -0.75 0.61 3.88 0.59 0.00 -0.89 -1.67 105.19 106.95 1ozt n GLY 37 Ca -0.04 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 4.20 0.40 0.99 1.02 -0.25 -4.21 118.68 120.83 1ozt s LEU 38 Ca 0.00 0.86 -0.23 0.00 0.02 0.00 0.00 54.13 54.78 1ozt s LEU 38 Cb 0.00 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.54 1ozt s LEU 38 CO 0.00 -0.03 1.02 0.42 0.02 0.00 0.00 176.35 177.78 1ozt s THR 39 N -1.76 3.86 0.28 5.49 -4.23 -1.26 -3.83 115.64 114.18 1ozt s THR 39 Ca 0.45 1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 62.04 1ozt s THR 39 Cb -0.12 -3.68 -0.13 0.00 1.34 0.00 0.00 72.50 69.91 1ozt s THR 39 CO 0.22 -0.04 1.35 1.21 -0.54 0.00 0.00 174.62 176.82 1ozt n GLU 40 N -0.16 2.04 0.00 3.99 2.13 -1.26 -4.62 120.64 122.76 1ozt n GLU 40 Ca 0.05 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1ozt n GLU 40 Cb 0.50 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.87 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 1.63 0.44 3.74 8.31 0.00 0.86 -4.90 105.19 115.27 1ozt n GLY 41 Ca 0.09 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 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 4.47 -0.04 0.99 1.02 -1.26 0.08 118.68 123.95 1ozt s LEU 42 Ca 0.00 1.59 0.00 0.00 0.02 0.00 0.00 54.13 55.74 1ozt s LEU 42 Cb 0.00 -3.37 0.03 0.00 0.02 0.00 0.00 46.19 42.86 1ozt s LEU 42 CO 0.00 -0.01 -0.01 -1.00 0.02 0.00 0.00 176.35 175.35 1ozt s HIS 43 N -0.07 0.45 0.35 0.29 3.76 -0.11 -2.83 115.29 117.13 1ozt s HIS 43 Ca 0.42 -0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.99 1ozt s HIS 43 Cb -0.22 -0.51 -0.12 0.00 1.11 0.00 0.00 32.58 32.84 1ozt s HIS 43 CO 0.26 -0.16 1.23 0.41 -0.85 0.00 0.00 174.74 175.63 1ozt n GLY 44 N 4.21 0.43 2.72 -2.22 0.00 0.08 -0.60 105.19 109.81 1ozt n GLY 44 Ca -0.24 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.11 1.27 0.09 1.61 5.36 -0.33 0.38 117.98 125.26 1ozt s PHE 45 Ca 0.57 -1.23 -0.00 0.00 -0.96 0.00 0.00 56.93 55.30 1ozt s PHE 45 Cb -0.58 -1.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.76 1ozt s PHE 45 CO 0.61 -0.74 -0.01 1.03 -1.46 0.00 0.00 175.22 174.65 1ozt s ARG 46 N 1.77 0.79 -0.22 10.12 0.52 -0.47 -1.75 118.95 129.71 1ozt s ARG 46 Ca 0.04 -1.33 -0.09 0.00 -0.52 0.00 0.00 55.73 53.83 1ozt s ARG 46 Cb -0.17 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 1ozt s ARG 46 CO -0.18 -0.13 0.11 0.08 0.02 0.00 0.00 175.30 175.20 1ozt s VAL 47 N -3.87 4.94 0.16 3.52 1.01 -0.00 0.55 120.40 126.72 1ozt s VAL 47 Ca 0.14 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1ozt s VAL 47 Cb 0.07 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1ozt s VAL 47 CO -0.04 0.38 0.22 -1.00 0.00 0.00 0.00 175.10 174.66 1ozt s HIS 48 N 0.96 3.32 0.29 5.22 0.09 0.29 0.54 115.29 126.01 1ozt s HIS 48 Ca 0.06 0.04 0.04 0.00 -0.00 0.00 0.00 55.06 55.20 1ozt s HIS 48 Cb -0.14 -1.59 0.68 0.00 -0.00 0.00 0.00 32.58 31.54 1ozt s HIS 48 CO 0.03 0.51 1.76 1.49 -0.00 0.00 0.00 174.74 178.54 1ozt h GLU 49 N 2.19 0.67 -5.98 1.40 4.81 -0.98 -2.77 114.58 113.92 1ozt h GLU 49 Ca -0.48 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.03 1ozt h GLU 49 Cb 1.20 -0.15 -0.22 0.00 0.63 0.00 0.00 28.75 30.21 1ozt h GLU 49 CO 0.66 0.44 -0.73 -0.06 -0.73 0.00 0.00 179.01 178.59 1ozt s PHE 50 N -5.89 2.84 -0.33 0.92 0.08 0.08 -4.71 117.98 110.96 1ozt s PHE 50 Ca -0.11 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 1ozt s PHE 50 Cb 0.24 -1.73 0.04 0.00 -0.57 0.00 0.00 43.02 41.00 1ozt s PHE 50 CO 0.79 0.15 2.71 0.41 -0.10 0.00 0.00 175.22 179.18 1ozt n GLY 51 N 2.61 4.01 3.34 4.36 0.00 -1.05 -3.62 105.19 114.84 1ozt n GLY 51 Ca -0.18 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 0.64 4.95 -0.15 1.61 -1.08 -1.26 -4.94 116.67 116.44 1ozt s ASP 52 Ca 0.52 -0.61 0.18 0.00 -0.52 0.00 0.00 52.55 52.11 1ozt s ASP 52 Cb 0.33 -1.85 0.33 0.00 -1.46 0.00 0.00 42.92 40.27 1ozt s ASP 52 CO -0.13 -0.14 1.19 -3.20 0.52 0.00 0.00 175.17 173.41 1ozt n ASN 53 N 4.85 2.45 0.20 -0.34 4.05 -1.26 -2.80 115.26 122.40 1ozt n ASN 53 Ca -0.15 -3.18 0.09 0.00 0.45 0.00 0.00 54.58 51.79 1ozt n ASN 53 Cb 0.49 -0.46 0.62 0.00 1.23 0.00 0.00 39.78 41.66 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 0.31 0.98 -2.03 -0.44 1.35 -1.93 -2.93 112.91 108.22 1ozt h THR 54 Ca 0.00 -0.03 -0.56 0.00 -0.55 0.00 0.00 66.41 65.28 1ozt h THR 54 Cb 1.06 0.90 -0.41 0.00 -1.73 0.00 0.00 68.15 67.97 1ozt h THR 54 CO 0.03 0.01 -0.80 0.00 -0.25 0.00 0.00 175.52 174.52 1ozt n ALA 55 N -2.54 4.15 -0.95 6.62 0.00 -1.26 -5.06 120.51 121.47 1ozt n ALA 55 Ca -0.01 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1ozt n ALA 55 Cb 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.17 0.88 0.05 0.00 0.00 -1.11 -2.91 105.19 101.93 1ozt n GLY 56 Ca 0.30 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 1.23 0.00 0.00 2.02 -1.87 -2.60 112.91 111.69 1ozt h THR 58 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1ozt h THR 58 Cb 0.40 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1ozt h THR 58 CO 0.00 0.28 0.00 -1.20 0.37 0.00 0.00 175.52 174.97 1ozt n SER 59 N -4.43 0.44 0.15 4.18 7.64 -1.20 -2.00 113.62 118.41 1ozt n SER 59 Ca 0.05 0.67 0.11 0.00 1.01 0.00 0.00 58.87 60.72 1ozt n SER 59 Cb 0.14 -0.74 0.55 0.00 -1.01 0.00 0.00 64.21 63.15 1ozt n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ozt n ALA 60 N -1.70 1.32 -0.26 -0.43 0.00 -0.98 -4.48 120.51 113.97 1ozt n ALA 60 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ozt n ALA 60 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1ozt n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ozt n GLY 61 N -0.72 -0.79 3.57 0.00 0.00 -0.85 -0.75 105.19 105.65 1ozt n GLY 61 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1ozt n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ozt s PRO 62 N 0.00 -0.77 0.51 1.61 0.02 -1.26 -4.69 135.00 130.41 1ozt s PRO 62 Ca 0.00 0.36 -0.18 0.00 0.02 0.00 0.00 61.00 61.19 1ozt s PRO 62 Cb 0.00 -1.61 -0.08 0.00 0.02 0.00 0.00 34.50 32.83 1ozt s PRO 62 CO 0.00 -3.50 1.02 -3.38 -0.33 0.00 0.00 177.00 170.80 1ozt s HIS 63 N -2.79 3.14 0.10 6.54 -3.43 -1.26 -0.89 115.29 116.70 1ozt s HIS 63 Ca 0.68 1.54 -0.31 0.00 -0.80 0.00 0.00 55.06 56.17 1ozt s HIS 63 Cb -0.17 -2.96 -0.08 0.00 -1.43 0.00 0.00 32.58 27.94 1ozt s HIS 63 CO 0.59 -0.68 1.54 0.12 -2.00 0.00 0.00 174.74 174.31 1ozt s PHE 64 N -2.27 2.84 -0.48 0.38 5.36 0.19 -4.35 117.98 119.65 1ozt s PHE 64 Ca 0.64 0.61 0.06 0.00 -0.96 0.00 0.00 56.93 57.27 1ozt s PHE 64 Cb -0.14 -3.86 0.26 0.00 -0.34 0.00 0.00 43.02 38.95 1ozt s PHE 64 CO 0.25 -3.25 0.95 -1.71 -1.46 0.00 0.00 175.22 170.00 1ozt n ASN 65 N 4.72 -2.76 -4.53 6.13 5.15 -1.26 -0.16 115.26 122.56 1ozt n ASN 65 Ca 0.14 -3.40 -0.30 0.00 -0.60 0.00 0.00 54.58 50.42 1ozt n ASN 65 Cb 0.41 1.86 0.22 0.00 -0.53 0.00 0.00 39.78 41.73 1ozt n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ozt n PRO 66 N 1.33 -1.63 -3.57 1.20 -0.04 -1.26 -4.94 135.00 126.09 1ozt n PRO 66 Ca 0.08 -0.43 -0.41 0.00 -0.04 0.00 0.00 63.50 62.70 1ozt n PRO 66 Cb 0.65 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.80 1ozt n PRO 66 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ozt s LEU 67 N -6.44 5.05 0.00 1.53 1.02 -1.26 -4.92 118.68 113.66 1ozt s LEU 67 Ca 0.67 -1.27 0.00 0.00 0.02 0.00 0.00 54.13 53.55 1ozt s LEU 67 Cb -0.24 -2.03 0.00 0.00 0.02 0.00 0.00 46.19 43.94 1ozt s LEU 67 CO 0.63 -0.49 0.00 -1.54 0.02 0.00 0.00 176.35 174.96 1ozt n SER 68 N 4.99 0.00 -2.88 2.29 3.41 -1.26 -5.21 113.62 114.96 1ozt n SER 68 Ca -0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.47 1ozt n SER 68 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1ozt n SER 68 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ozt s ARG 69 N 2.20 1.01 0.00 4.33 6.06 -1.26 -5.26 118.95 126.03 1ozt s ARG 69 Ca 0.00 -0.88 0.00 0.00 -2.50 0.00 0.00 55.73 52.35 1ozt s ARG 69 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 34.95 34.98 1ozt s ARG 69 CO 0.00 -1.30 0.00 -1.91 -2.50 0.00 0.00 175.30 169.59 1ozt n GLU 78 N 3.31 0.00 -3.44 5.12 4.07 -1.26 -5.20 120.64 123.24 1ozt n GLU 78 Ca 0.16 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.15 1ozt n GLU 78 Cb 0.56 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.92 1ozt n GLU 78 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1ozt s ARG 79 N 0.00 1.24 -0.11 5.31 1.70 -1.26 -5.17 118.95 120.66 1ozt s ARG 79 Ca 0.00 -0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.77 1ozt s ARG 79 Cb 0.00 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1ozt s ARG 79 CO 0.00 -0.55 -0.00 -1.01 -1.08 0.00 0.00 175.30 172.66 1ozt s HIS 80 N -3.69 3.13 0.24 5.89 3.76 -1.26 -5.02 115.29 118.34 1ozt s HIS 80 Ca 0.02 0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 54.88 1ozt s HIS 80 Cb -0.01 -1.85 0.32 0.00 1.11 0.00 0.00 32.58 32.15 1ozt s HIS 80 CO -0.12 0.32 1.59 0.28 -0.85 0.00 0.00 174.74 175.96 1ozt h VAL 81 N 4.44 0.17 0.00 -0.90 2.07 -1.91 0.66 116.25 120.78 1ozt h VAL 81 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1ozt h VAL 81 Cb 1.19 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1ozt h VAL 81 CO 0.58 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1ozt n GLY 82 N -1.52 -1.01 3.59 2.17 0.00 0.78 -4.44 105.19 104.77 1ozt n GLY 82 Ca 0.11 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.92 6.38 0.00 1.61 1.01 0.22 -0.82 116.67 122.15 1ozt s ASP 83 Ca 0.09 0.60 0.20 0.00 0.71 0.00 0.00 52.55 54.15 1ozt s ASP 83 Cb 0.11 -2.54 0.52 0.00 1.01 0.00 0.00 42.92 42.01 1ozt s ASP 83 CO 0.28 -1.44 1.43 0.18 0.21 0.00 0.00 175.17 175.84 1ozt n LEU 84 N 8.68 3.60 0.00 1.23 4.77 -0.71 -4.88 117.00 129.68 1ozt n LEU 84 Ca 0.14 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 1ozt n LEU 84 Cb 0.49 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ozt n LEU 84 CO 0.71 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 1ozt n GLY 85 N 1.34 0.73 3.32 -0.72 0.00 -1.22 -4.88 105.19 103.77 1ozt n GLY 85 Ca 0.20 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 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 1.80 0.14 1.61 0.01 -1.26 -1.18 114.94 112.06 1ozt s ASN 86 Ca 0.00 -1.19 0.10 0.00 -0.71 0.00 0.00 52.86 51.05 1ozt s ASN 86 Cb 0.00 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.63 1ozt s ASN 86 CO 0.00 -0.49 -0.22 0.68 -1.51 0.00 0.00 177.10 175.55 1ozt s VAL 87 N -3.42 2.00 -0.15 1.60 -7.23 0.23 -4.85 120.40 108.59 1ozt s VAL 87 Ca 0.27 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1ozt s VAL 87 Cb 0.05 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 1ozt s VAL 87 CO 0.08 -0.10 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.71 1ozt s THR 88 N -1.47 2.65 -0.16 5.32 2.01 -1.26 -0.94 115.64 121.78 1ozt s THR 88 Ca 0.14 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 1ozt s THR 88 Cb -0.08 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 1ozt s THR 88 CO 0.06 0.52 0.23 0.00 -0.69 0.00 0.00 174.62 174.74 1ozt s ALA 89 N 0.73 3.65 1.03 7.40 0.00 0.11 -4.04 121.76 130.64 1ozt s ALA 89 Ca -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1ozt s ALA 89 Cb -0.16 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.74 1ozt s ALA 89 CO 0.01 0.18 0.21 -0.40 0.00 0.00 0.00 175.76 175.76 1ozt n ASP 90 N 3.35 -0.73 0.31 0.00 5.68 0.02 -0.10 116.55 125.09 1ozt n ASP 90 Ca -0.14 -0.80 0.19 0.00 -0.50 0.00 0.00 54.79 53.54 1ozt n ASP 90 Cb 0.52 -0.18 0.98 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 -0.18 0.11 2.10 -1.97 -1.88 116.57 114.75 1ozt h LYS 91 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1ozt h LYS 91 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1ozt h LYS 91 CO 0.05 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.27 1ozt n ASP 92 N -3.25 1.64 -0.01 7.07 8.00 -1.26 -4.82 116.55 123.93 1ozt n ASP 92 Ca -0.02 -1.73 -0.00 0.00 0.71 0.00 0.00 54.79 53.75 1ozt n ASP 92 Cb 0.16 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.14 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 1.11 0.47 3.67 0.44 0.00 -0.71 -4.75 105.19 105.43 1ozt n GLY 93 Ca 0.16 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.99 4.68 -0.18 1.61 1.01 -1.26 -1.09 120.40 123.19 1ozt s VAL 94 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1ozt s VAL 94 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1ozt s VAL 94 CO 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.50 1ozt s ALA 95 N -0.18 2.58 -0.25 5.51 0.00 0.14 -0.80 121.76 128.77 1ozt s ALA 95 Ca 0.07 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 1ozt s ALA 95 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1ozt s ALA 95 CO 0.01 -0.22 0.39 0.34 0.00 0.00 0.00 175.76 176.28 1ozt s ASP 96 N 1.12 6.33 -0.13 0.00 2.15 -1.26 -0.97 116.67 123.90 1ozt s ASP 96 Ca 0.01 0.38 -0.05 0.00 0.43 0.00 0.00 52.55 53.32 1ozt s ASP 96 Cb -0.14 -2.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 1ozt s ASP 96 CO -0.04 -0.15 0.03 -0.69 -0.17 0.00 0.00 175.17 174.15 1ozt s VAL 97 N 1.83 4.55 -0.29 1.11 1.01 0.93 -4.77 120.40 124.77 1ozt s VAL 97 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1ozt s VAL 97 Cb -0.15 -2.98 0.19 0.00 0.00 0.00 0.00 36.38 33.43 1ozt s VAL 97 CO 0.09 0.54 0.58 -0.55 0.00 0.00 0.00 175.10 175.76 1ozt s SER 98 N -0.31 -1.30 0.12 3.32 0.15 -1.25 -1.75 113.70 112.68 1ozt s SER 98 Ca 0.07 0.71 0.01 0.00 0.70 0.00 0.00 55.95 57.44 1ozt s SER 98 Cb -0.12 2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 66.21 1ozt s SER 98 CO 0.02 -0.27 -0.02 -0.63 1.20 0.00 0.00 173.24 173.54 1ozt s ILE 99 N 2.83 0.53 -0.04 6.45 1.01 0.22 -5.01 121.20 127.19 1ozt s ILE 99 Ca 0.19 -1.92 -0.01 0.00 0.00 0.00 0.00 60.65 58.90 1ozt s ILE 99 Cb -0.14 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.52 1ozt s ILE 99 CO -0.22 -0.72 0.05 -0.70 0.00 0.00 0.00 174.94 173.35 1ozt s GLU 100 N -3.90 -0.01 0.00 2.79 2.12 -1.26 -1.65 118.70 116.79 1ozt s GLU 100 Ca 0.16 0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.82 1ozt s GLU 100 Cb 0.06 -0.47 -0.01 0.00 0.26 0.00 0.00 34.13 33.97 1ozt s GLU 100 CO -0.02 -0.28 -0.08 0.34 -0.54 0.00 0.00 175.26 174.68 1ozt s ASP 101 N 1.83 0.94 -0.08 -1.70 -1.08 -0.54 -4.96 116.67 111.08 1ozt s ASP 101 Ca 0.01 -0.20 0.12 0.00 -0.52 0.00 0.00 52.55 51.95 1ozt s ASP 101 Cb -0.12 -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 2.67 2.77 -0.13 -0.34 3.41 -1.26 -0.27 113.62 120.46 1ozt n SER 102 Ca -0.15 -2.55 -0.28 0.00 -0.26 0.00 0.00 58.87 55.63 1ozt n SER 102 Cb 0.57 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.54 1.53 -1.17 -3.33 0.31 -1.26 -4.92 118.33 108.95 1ozt n VAL 103 Ca 0.12 -0.35 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1ozt n VAL 103 Cb 0.56 -1.88 0.11 0.00 -0.91 0.00 0.00 33.84 31.72 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 3.04 0.12 2.52 -4.36 -1.26 -4.85 121.20 113.91 1ozt s ILE 104 Ca -0.37 0.34 -0.12 0.00 -0.26 0.00 0.00 60.65 60.24 1ozt s ILE 104 Cb 0.13 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 41.09 1ozt s ILE 104 CO 0.51 -0.44 0.30 -0.55 0.24 0.00 0.00 174.94 175.00 1ozt s SER 105 N -3.31 -0.03 -0.01 4.36 0.15 -0.87 -4.68 113.70 109.31 1ozt s SER 105 Ca 0.62 -0.57 0.21 0.00 0.70 0.00 0.00 55.95 56.91 1ozt s SER 105 Cb -0.18 0.42 0.62 0.00 -1.71 0.00 0.00 66.02 65.17 1ozt s SER 105 CO 0.57 -0.82 1.52 0.18 1.20 0.00 0.00 173.24 175.88 1ozt n LEU 106 N -0.16 3.80 -3.78 3.45 4.77 -1.26 -1.28 117.00 122.54 1ozt n LEU 106 Ca -0.14 -1.90 -0.07 0.00 -0.03 0.00 0.00 56.01 53.87 1ozt n LEU 106 Cb 0.63 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1ozt n LEU 106 CO 0.21 0.93 0.51 -0.94 -1.33 0.00 0.00 177.39 176.76 1ozt s SER 107 N -0.99 -0.29 0.19 -1.43 1.04 -1.26 -4.81 113.70 106.15 1ozt s SER 107 Ca 0.47 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1ozt s SER 107 Cb 0.25 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.03 1ozt s SER 107 CO 0.31 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1ozt n GLY 108 N -0.45 -1.29 0.27 7.32 0.00 -1.26 -3.29 105.19 106.50 1ozt n GLY 108 Ca -0.06 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.55 1.61 3.32 -2.00 -2.17 116.42 116.63 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 0.08 0.00 1.41 -1.72 0.00 0.00 179.24 179.01 1ozt n HIS 110 N -3.70 1.37 -1.68 4.55 8.25 -1.26 -4.96 115.22 117.79 1ozt n HIS 110 Ca -0.02 -0.66 -0.46 0.00 -0.26 0.00 0.00 57.72 56.33 1ozt n HIS 110 Cb 0.19 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.99 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 4.33 0.28 -2.38 0.00 -5.35 -0.41 -4.93 119.36 110.91 1ozt n ILE 112 Ca 0.19 -0.64 -0.42 0.00 -0.27 0.00 0.00 62.75 61.62 1ozt n ILE 112 Cb 0.31 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.35 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 -1.50 3.74 0.00 7.28 1.01 -1.26 -2.02 121.20 128.46 1ozt s ILE 113 Ca 0.29 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.29 1ozt s ILE 113 Cb 0.18 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1ozt s ILE 113 CO 0.26 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1ozt n GLY 114 N 2.75 0.67 3.38 6.18 0.00 0.18 -5.01 105.19 113.35 1ozt n GLY 114 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 0.71 -4.88 1.61 1.74 -0.85 -2.52 116.66 110.47 1ozt n ARG 115 Ca 0.00 -2.87 -0.33 0.00 -0.77 0.00 0.00 57.85 53.88 1ozt n ARG 115 Cb 0.00 0.05 -0.13 0.00 -1.02 0.00 0.00 32.46 31.36 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 -2.27 3.09 -0.18 0.55 2.01 -1.04 -0.45 115.64 117.34 1ozt s THR 116 Ca 0.41 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.61 1ozt s THR 116 Cb -0.03 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1ozt s THR 116 CO 0.26 0.59 0.10 -0.22 -0.69 0.00 0.00 174.62 174.66 1ozt s LEU 117 N -0.74 4.08 0.01 4.42 2.96 -0.66 0.11 118.68 128.86 1ozt s LEU 117 Ca 0.12 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 1ozt s LEU 117 Cb -0.11 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1ozt s LEU 117 CO 0.01 0.22 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.41 1ozt s VAL 118 N 0.13 1.21 -0.17 1.68 1.01 0.19 -2.67 120.40 121.78 1ozt s VAL 118 Ca 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1ozt s VAL 118 Cb -0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1ozt s VAL 118 CO -0.00 0.23 -0.10 0.54 0.00 0.00 0.00 175.10 175.77 1ozt s VAL 119 N -0.53 3.16 0.28 2.92 0.11 -0.79 -1.37 120.40 124.18 1ozt s VAL 119 Ca 0.05 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1ozt s VAL 119 Cb -0.07 -2.37 -0.05 0.00 -1.53 0.00 0.00 36.38 32.37 1ozt s VAL 119 CO 0.00 0.49 0.52 -1.00 -3.33 0.00 0.00 175.10 171.78 1ozt s HIS 120 N 0.83 3.48 0.19 1.54 3.76 0.16 -1.57 115.29 123.69 1ozt s HIS 120 Ca -0.03 0.52 -0.12 0.00 -0.15 0.00 0.00 55.06 55.28 1ozt s HIS 120 Cb -0.15 -2.01 0.16 0.00 1.11 0.00 0.00 32.58 31.69 1ozt s HIS 120 CO 0.01 0.20 1.83 1.49 -0.85 0.00 0.00 174.74 177.41 1ozt h GLU 121 N 1.53 0.69 -6.19 1.40 4.81 -0.76 -3.32 114.58 112.76 1ozt h GLU 121 Ca -0.48 -0.04 -0.52 0.00 -0.13 0.00 0.00 59.36 58.19 1ozt h GLU 121 Cb 1.20 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 1ozt h GLU 121 CO 0.65 0.46 -0.53 0.15 -0.73 0.00 0.00 179.01 179.02 1ozt s LYS 122 N -6.12 2.71 0.85 1.92 1.02 -1.26 -4.85 119.74 114.00 1ozt s LYS 122 Ca -0.13 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 54.52 1ozt s LYS 122 Cb 0.14 -2.43 0.10 0.00 -0.52 0.00 0.00 37.83 35.12 1ozt s LYS 122 CO 0.75 0.29 1.09 0.00 -0.92 0.00 0.00 175.35 176.56 1ozt s ALA 123 N -2.24 1.84 -0.46 5.17 0.00 -1.13 -0.75 121.76 124.19 1ozt s ALA 123 Ca 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1ozt s ALA 123 Cb -0.06 -3.21 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1ozt s ALA 123 CO 0.24 -2.11 0.24 0.34 0.00 0.00 0.00 175.76 174.47 1ozt s ASP 124 N -3.45 5.10 0.01 0.00 -1.08 -1.26 -4.64 116.67 111.34 1ozt s ASP 124 Ca 0.62 -2.32 -0.30 0.00 -0.52 0.00 0.00 52.55 50.03 1ozt s ASP 124 Cb -0.17 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.46 1ozt s ASP 124 CO 0.56 -0.45 1.10 1.51 0.52 0.00 0.00 175.17 178.41 1ozt s ASP 125 N 1.25 7.20 0.00 -0.34 1.47 -1.26 -4.74 116.67 120.25 1ozt s ASP 125 Ca 0.11 1.81 0.00 0.00 1.18 0.00 0.00 52.55 55.65 1ozt s ASP 125 Cb -0.22 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.79 1ozt s ASP 125 CO -0.04 -0.41 0.54 0.18 0.68 0.00 0.00 175.17 176.12 1ozt n LEU 126 N 4.21 1.63 0.00 2.11 4.32 -1.26 -4.56 117.00 123.46 1ozt n LEU 126 Ca 0.08 -0.82 0.00 0.00 -0.02 0.00 0.00 56.01 55.25 1ozt n LEU 126 Cb 0.48 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1ozt n LEU 126 CO 0.54 0.27 0.00 0.61 -1.22 0.00 0.00 177.39 177.59 1ozt n GLY 127 N 0.73 2.40 2.12 -0.72 0.00 -1.26 -4.85 105.19 103.61 1ozt n GLY 127 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ozt n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ozt n LYS 128 N -2.00 2.75 0.00 1.61 4.76 -1.26 -4.65 118.16 119.36 1ozt n LYS 128 Ca 0.00 -3.45 0.14 0.00 -2.87 0.00 0.00 58.31 52.14 1ozt n LYS 128 Cb 0.00 -2.22 0.68 0.00 -1.84 0.00 0.00 35.03 31.65 1ozt n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozt n GLY 129 N -0.93 -1.37 0.94 0.72 0.00 -1.26 -4.95 105.19 98.34 1ozt n GLY 129 Ca 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1ozt n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozt n GLY 130 N 1.39 0.73 0.33 -0.02 0.00 -1.26 -5.14 105.19 101.21 1ozt n GLY 130 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ozt n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ozt n ASN 131 N 0.00 0.00 -4.81 1.61 0.23 -1.26 -5.28 115.26 105.75 1ozt n ASN 131 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.74 1ozt n ASN 131 Cb 0.00 0.02 0.06 0.00 -2.08 0.00 0.00 39.78 37.79 1ozt n ASN 131 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1ozt s SER 142 N 0.55 5.11 -0.45 0.53 1.04 -1.26 -5.21 113.70 114.01 1ozt s SER 142 Ca 0.00 1.59 -0.25 0.00 0.48 0.00 0.00 55.95 57.77 1ozt s SER 142 Cb 0.00 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.72 1ozt s SER 142 CO 0.00 -1.62 0.89 -0.13 0.98 0.00 0.00 173.24 173.36 1ozt s ARG 143 N -5.04 3.54 0.03 4.02 0.52 -1.26 -0.01 118.95 120.75 1ozt s ARG 143 Ca 0.59 0.14 -0.19 0.00 -0.52 0.00 0.00 55.73 55.76 1ozt s ARG 143 Cb -0.15 -3.91 -0.19 0.00 0.52 0.00 0.00 34.95 31.22 1ozt s ARG 143 CO 0.55 -1.15 1.19 -0.07 0.02 0.00 0.00 175.30 175.84 1ozt h LEU 144 N 10.38 0.56 -7.06 2.53 3.38 -1.60 -3.47 115.31 120.03 1ozt h LEU 144 Ca -0.24 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 1ozt h LEU 144 Cb 1.08 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1ozt h LEU 144 CO 1.00 1.14 0.16 0.00 0.09 0.00 0.00 178.44 180.84 1ozt s ALA 145 N -3.57 -1.53 0.31 1.53 0.00 -1.21 -4.21 121.76 113.08 1ozt s ALA 145 Ca -0.13 0.56 -0.20 0.00 0.00 0.00 0.00 51.96 52.19 1ozt s ALA 145 Cb 0.05 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.90 1ozt s ALA 145 CO 0.82 -0.68 0.75 0.00 0.00 0.00 0.00 175.76 176.64 1ozt s GLY 147 N -2.97 -0.43 0.22 0.00 0.00 -1.09 -0.90 107.32 102.16 1ozt s GLY 147 Ca 0.12 1.25 -0.22 0.00 0.00 0.00 0.00 44.72 45.87 1ozt s GLY 147 CO 0.08 0.51 0.77 0.14 0.00 0.00 0.00 173.10 174.60 1ozt s VAL 148 N -2.60 4.47 -0.45 1.40 1.01 -1.26 -1.65 120.40 121.32 1ozt s VAL 148 Ca 0.03 1.46 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 1ozt s VAL 148 Cb -0.01 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ozt s VAL 148 CO -0.06 0.27 0.83 -0.63 0.00 0.00 0.00 175.10 175.51 1ozt s ILE 149 N -1.45 4.59 0.27 2.22 1.01 0.40 -4.49 121.20 123.75 1ozt s ILE 149 Ca 0.42 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.68 1ozt s ILE 149 Cb -0.18 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1ozt s ILE 149 CO 0.22 -0.75 0.20 -0.83 0.00 0.00 0.00 174.94 173.78 1ozt s GLY 150 N 2.17 1.49 0.10 6.18 0.00 -0.06 -0.65 107.32 116.56 1ozt s GLY 150 Ca 0.32 -1.48 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 1ozt s GLY 150 CO 0.24 -1.50 1.49 -0.42 0.00 0.00 0.00 173.10 172.90 1ozt s ILE 151 N -2.18 3.15 0.29 0.90 1.01 -1.26 -0.49 121.20 122.62 1ozt s ILE 151 Ca 0.34 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.83 1ozt s ILE 151 Cb -0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1ozt s ILE 151 CO 0.25 0.04 0.13 0.00 0.00 0.00 0.00 174.94 175.35 1ozt s ALA 152 N 1.63 3.46 -2.00 9.38 0.00 -0.79 -4.78 121.76 128.65 1ozt s ALA 152 Ca 0.68 -1.63 0.25 0.00 0.00 0.00 0.00 51.96 51.26 1ozt s ALA 152 Cb -0.38 -0.96 1.51 0.00 0.00 0.00 0.00 23.12 23.28 1ozt s ALA 152 CO 0.30 0.17 1.86 0.94 0.00 0.00 0.00 175.76 179.04