#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 4.45 0.08 0.00 2.01 -1.07 -4.89 115.64 116.23 1ozt s THR 2 Ca 0.00 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.20 1ozt s THR 2 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1ozt s THR 2 CO 0.00 -0.66 -0.06 -0.54 -0.69 0.00 0.00 174.62 172.67 1ozt s LYS 3 N -4.04 0.73 0.17 4.92 1.02 -1.26 -1.61 119.74 119.66 1ozt s LYS 3 Ca 0.59 -1.17 -0.13 0.00 0.02 0.00 0.00 55.97 55.29 1ozt s LYS 3 Cb -0.11 -0.18 0.01 0.00 -0.52 0.00 0.00 37.83 37.03 1ozt s LYS 3 CO 0.31 -0.01 0.38 0.00 -0.92 0.00 0.00 175.35 175.11 1ozt s ALA 4 N -3.05 -0.43 0.15 5.17 0.00 -0.72 -2.05 121.76 120.83 1ozt s ALA 4 Ca 0.05 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1ozt s ALA 4 Cb 0.01 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1ozt s ALA 4 CO -0.04 -0.70 0.31 0.54 0.00 0.00 0.00 175.76 175.87 1ozt s VAL 5 N -3.91 0.08 -0.16 0.00 0.11 0.06 -0.69 120.40 115.88 1ozt s VAL 5 Ca 0.12 -1.19 -0.10 0.00 -2.93 0.00 0.00 61.98 57.88 1ozt s VAL 5 Cb 0.02 -1.64 0.05 0.00 -1.53 0.00 0.00 36.38 33.28 1ozt s VAL 5 CO -0.02 -0.35 0.39 0.00 -3.33 0.00 0.00 175.10 171.78 1ozt s VAL 7 N 1.16 4.65 -0.17 0.00 1.01 -1.26 -1.42 120.40 124.37 1ozt s VAL 7 Ca -0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1ozt s VAL 7 Cb -0.08 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1ozt s VAL 7 CO -0.10 0.37 0.24 -0.76 0.00 0.00 0.00 175.10 174.85 1ozt s LEU 8 N 1.13 4.25 0.08 3.92 2.01 0.42 -3.74 118.68 126.75 1ozt s LEU 8 Ca 0.05 0.43 -0.05 0.00 0.01 0.00 0.00 54.13 54.57 1ozt s LEU 8 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 46.19 43.76 1ozt s LEU 8 CO 0.04 0.14 0.09 -0.54 1.01 0.00 0.00 176.35 177.09 1ozt s LYS 9 N 0.33 0.78 0.06 1.70 1.02 -0.19 -2.47 119.74 120.96 1ozt s LYS 9 Ca 0.14 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 1ozt s LYS 9 Cb -0.12 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.48 1ozt s LYS 9 CO 0.02 -0.21 0.11 0.41 -0.92 0.00 0.00 175.35 174.76 1ozt n GLY 10 N -0.00 2.02 0.23 -3.33 0.00 -1.25 -0.14 105.19 102.72 1ozt n GLY 10 Ca -0.13 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 0.30 0.00 -0.68 1.61 3.32 -1.92 -3.46 116.42 115.60 1ozt h ASP 11 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ozt h ASP 11 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ozt h ASP 11 CO 0.06 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.27 1ozt n GLY 12 N 0.73 1.60 0.30 2.75 0.00 -1.26 -5.00 105.19 104.30 1ozt n GLY 12 Ca 0.02 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.30 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 1.10 -2.32 1.61 -0.04 -1.26 -4.91 135.00 129.19 1ozt n PRO 13 Ca 0.00 -0.61 -0.42 0.00 -0.04 0.00 0.00 63.50 62.43 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 -2.31 3.83 -0.08 0.52 1.01 -1.26 -4.25 120.40 117.86 1ozt s VAL 14 Ca 0.30 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1ozt s VAL 14 Cb 0.20 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.84 1ozt s VAL 14 CO 0.45 0.05 0.72 0.00 0.00 0.00 0.00 175.10 176.31 1ozt s GLN 15 N 1.68 0.99 0.06 2.72 -2.07 -0.62 -3.82 119.66 118.60 1ozt s GLN 15 Ca 0.61 0.32 -0.16 0.00 -1.82 0.00 0.00 55.36 54.30 1ozt s GLN 15 Cb -0.31 0.47 0.06 0.00 -1.09 0.00 0.00 33.01 32.14 1ozt s GLN 15 CO 0.27 -0.29 0.76 0.41 -1.32 0.00 0.00 175.29 175.12 1ozt n GLY 16 N 1.06 0.61 2.89 2.60 0.00 -1.03 -0.42 105.19 110.90 1ozt n GLY 16 Ca -0.18 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.15 0.48 0.01 -0.61 1.01 -0.91 -0.43 121.20 118.59 1ozt s ILE 17 Ca 0.17 -0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1ozt s ILE 17 Cb -0.01 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 1ozt s ILE 17 CO 0.02 0.21 -0.22 -0.63 0.00 0.00 0.00 174.94 174.31 1ozt s ILE 18 N 0.86 1.76 0.18 2.92 -1.09 -0.51 -2.44 121.20 122.89 1ozt s ILE 18 Ca -0.11 -1.07 0.11 0.00 -2.23 0.00 0.00 60.65 57.35 1ozt s ILE 18 Cb -0.14 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 1ozt s ILE 18 CO 0.00 0.39 -0.23 0.20 -1.23 0.00 0.00 174.94 174.07 1ozt s ASN 19 N -0.80 3.49 0.04 3.58 0.01 0.12 -1.08 114.94 120.30 1ozt s ASN 19 Ca 0.09 -0.83 0.03 0.00 -0.71 0.00 0.00 52.86 51.44 1ozt s ASN 19 Cb -0.09 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.27 1ozt s ASN 19 CO 0.00 0.13 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.26 1ozt s PHE 20 N -1.60 0.86 -0.16 2.20 0.40 0.13 -1.63 117.98 118.18 1ozt s PHE 20 Ca 0.20 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 1ozt s PHE 20 Cb -0.08 -0.51 0.06 0.00 0.51 0.00 0.00 43.02 43.00 1ozt s PHE 20 CO 0.10 -0.02 0.38 -2.00 0.70 0.00 0.00 175.22 174.38 1ozt s GLU 21 N -1.26 0.35 -0.34 0.44 2.12 -0.28 -1.75 118.70 117.98 1ozt s GLU 21 Ca -0.04 0.79 -0.01 0.00 0.36 0.00 0.00 54.97 56.07 1ozt s GLU 21 Cb -0.08 0.01 0.11 0.00 0.26 0.00 0.00 34.13 34.43 1ozt s GLU 21 CO 0.01 -0.18 0.15 -1.14 -0.54 0.00 0.00 175.26 173.56 1ozt s GLN 22 N 1.59 0.66 0.57 4.30 0.74 -0.64 -0.06 119.66 126.84 1ozt s GLN 22 Ca -0.08 -1.17 0.34 0.00 0.05 0.00 0.00 55.36 54.50 1ozt s GLN 22 Cb -0.09 -1.72 1.70 0.00 1.10 0.00 0.00 33.01 34.00 1ozt s GLN 22 CO -0.12 -1.07 2.13 0.87 -0.55 0.00 0.00 175.29 176.55 1ozt h LYS 23 N 7.69 0.00 -4.30 1.67 1.57 -1.80 -2.83 116.57 118.57 1ozt h LYS 23 Ca -0.09 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.34 1ozt h LYS 23 Cb 0.99 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.00 1ozt h LYS 23 CO 0.42 0.05 -0.76 -1.21 -0.57 0.00 0.00 179.45 177.38 1ozt s GLU 24 N -4.02 0.55 0.22 3.15 2.02 -1.26 -3.50 118.70 115.86 1ozt s GLU 24 Ca -0.02 -0.18 -0.06 0.00 0.02 0.00 0.00 54.97 54.72 1ozt s GLU 24 Cb 0.12 -0.55 0.37 0.00 0.10 0.00 0.00 34.13 34.17 1ozt s GLU 24 CO 0.52 0.08 1.23 0.45 0.02 0.00 0.00 175.26 177.56 1ozt n SER 25 N 3.20 -0.28 -1.15 -0.19 2.88 -1.26 0.18 113.62 117.00 1ozt n SER 25 Ca -0.16 1.36 0.08 0.00 -1.33 0.00 0.00 58.87 58.82 1ozt n SER 25 Cb 0.56 -0.41 0.29 0.00 -0.75 0.00 0.00 64.21 63.90 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 4.30 -4.40 -3.46 6.94 -1.26 -4.89 115.26 107.22 1ozt n ASN 26 Ca 0.13 -2.86 -0.20 0.00 -0.02 0.00 0.00 54.58 51.62 1ozt n ASN 26 Cb 0.40 -0.55 0.10 0.00 -2.36 0.00 0.00 39.78 37.37 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 -0.03 0.94 3.81 4.83 0.00 0.13 -5.09 105.19 109.77 1ozt n GLY 27 Ca 0.22 -2.07 -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 -4.77 2.61 -0.13 1.61 0.02 -1.26 -4.87 135.00 128.21 1ozt s PRO 28 Ca 0.59 0.85 -0.01 0.00 0.02 0.00 0.00 61.00 62.45 1ozt s PRO 28 Cb -0.04 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 1ozt s PRO 28 CO 0.39 -1.30 -0.11 0.08 -0.33 0.00 0.00 177.00 175.73 1ozt s VAL 29 N -3.08 3.24 -0.16 3.83 1.01 0.02 -4.38 120.40 120.88 1ozt s VAL 29 Ca 0.59 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1ozt s VAL 29 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1ozt s VAL 29 CO 0.55 0.52 0.26 -0.54 0.00 0.00 0.00 175.10 175.89 1ozt s LYS 30 N 0.32 4.19 -0.09 2.72 1.02 0.92 -1.38 119.74 127.44 1ozt s LYS 30 Ca -0.09 0.04 0.02 0.00 0.02 0.00 0.00 55.97 55.96 1ozt s LYS 30 Cb -0.15 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1ozt s LYS 30 CO 0.05 0.30 -0.14 0.54 -0.92 0.00 0.00 175.35 175.18 1ozt s VAL 31 N 0.30 1.34 0.18 3.17 0.11 -0.51 -1.13 120.40 123.87 1ozt s VAL 31 Ca 0.15 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.52 1ozt s VAL 31 Cb -0.13 -1.22 -0.00 0.00 -1.53 0.00 0.00 36.38 33.50 1ozt s VAL 31 CO 0.03 0.41 0.35 -1.66 -3.33 0.00 0.00 175.10 170.90 1ozt s TRP 32 N 0.81 0.29 -5.00 1.54 -2.14 -0.65 -0.64 118.94 113.15 1ozt s TRP 32 Ca -0.11 -0.65 0.00 0.00 2.66 0.00 0.00 56.10 58.00 1ozt s TRP 32 Cb -0.16 0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 1ozt s TRP 32 CO 0.02 -0.79 0.00 0.41 -2.66 0.00 0.00 176.95 173.93 1ozt n GLY 33 N -0.26 0.37 3.21 3.67 0.00 -0.65 0.16 105.19 111.69 1ozt n GLY 33 Ca -0.07 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 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 0.07 -0.02 1.61 1.04 -1.02 0.22 113.70 111.60 1ozt s SER 34 Ca 0.00 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.90 1ozt s SER 34 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ozt s SER 34 CO 0.00 -0.70 -0.09 -0.63 0.98 0.00 0.00 173.24 172.80 1ozt s ILE 35 N -3.57 0.79 0.36 -1.02 1.01 -0.25 -2.14 121.20 116.38 1ozt s ILE 35 Ca 0.03 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1ozt s ILE 35 Cb 0.03 -0.70 -0.07 0.00 0.01 0.00 0.00 42.46 41.74 1ozt s ILE 35 CO -0.09 0.24 0.02 -1.59 0.00 0.00 0.00 174.94 173.52 1ozt s LYS 36 N 0.11 1.77 0.00 2.79 -2.85 0.44 0.02 119.74 122.02 1ozt s LYS 36 Ca -0.02 -1.98 0.00 0.00 -1.00 0.00 0.00 55.97 52.97 1ozt s LYS 36 Cb -0.08 -1.22 0.00 0.00 -2.06 0.00 0.00 37.83 34.47 1ozt s LYS 36 CO 0.00 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1ozt n GLY 37 N -0.79 0.59 3.88 0.59 0.00 -0.94 -1.59 105.19 106.93 1ozt n GLY 37 Ca -0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 4.13 0.39 0.99 1.02 -0.18 -4.20 118.68 120.83 1ozt s LEU 38 Ca 0.00 0.93 -0.24 0.00 0.02 0.00 0.00 54.13 54.84 1ozt s LEU 38 Cb 0.00 -3.71 -0.09 0.00 0.02 0.00 0.00 46.19 42.41 1ozt s LEU 38 CO 0.00 -0.11 1.01 0.42 0.02 0.00 0.00 176.35 177.69 1ozt s THR 39 N -1.89 3.92 0.27 5.49 -4.23 -1.26 -3.87 115.64 114.07 1ozt s THR 39 Ca 0.48 1.45 -0.30 0.00 -1.18 0.00 0.00 61.69 62.14 1ozt s THR 39 Cb -0.11 -3.74 -0.13 0.00 1.34 0.00 0.00 72.50 69.86 1ozt s THR 39 CO 0.22 -0.01 1.33 1.21 -0.54 0.00 0.00 174.62 176.84 1ozt n GLU 40 N -0.02 1.95 0.00 3.99 2.13 -1.26 -4.64 120.64 122.79 1ozt n GLU 40 Ca 0.05 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1ozt n GLU 40 Cb 0.50 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.92 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 1.71 0.47 3.76 8.31 0.00 0.61 -4.91 105.19 115.14 1ozt n GLY 41 Ca 0.10 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 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 4.53 -0.02 0.99 1.02 -1.26 -0.06 118.68 123.88 1ozt s LEU 42 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 54.13 55.71 1ozt s LEU 42 Cb 0.00 -3.26 0.03 0.00 0.02 0.00 0.00 46.19 42.98 1ozt s LEU 42 CO 0.00 0.13 0.02 -1.00 0.02 0.00 0.00 176.35 175.52 1ozt s HIS 43 N -0.69 0.16 0.34 0.29 3.76 -0.31 -2.90 115.29 115.95 1ozt s HIS 43 Ca 0.37 0.07 -0.28 0.00 -0.15 0.00 0.00 55.06 55.07 1ozt s HIS 43 Cb -0.22 -0.31 -0.12 0.00 1.11 0.00 0.00 32.58 33.04 1ozt s HIS 43 CO 0.25 -0.11 1.32 0.41 -0.85 0.00 0.00 174.74 175.76 1ozt n GLY 44 N 4.14 0.67 2.71 -2.22 0.00 -0.15 -0.83 105.19 109.52 1ozt n GLY 44 Ca -0.27 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.07 1.17 0.06 1.61 5.36 -0.19 0.06 117.98 124.98 1ozt s PHE 45 Ca 0.55 -1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 55.36 1ozt s PHE 45 Cb -0.56 -1.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.84 1ozt s PHE 45 CO 0.62 -0.73 -0.03 1.03 -1.46 0.00 0.00 175.22 174.65 1ozt s ARG 46 N 1.81 0.63 -0.22 10.12 0.52 -0.59 -1.93 118.95 129.29 1ozt s ARG 46 Ca 0.04 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 53.92 1ozt s ARG 46 Cb -0.17 0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 1ozt s ARG 46 CO -0.17 -0.10 0.14 0.08 0.02 0.00 0.00 175.30 175.27 1ozt s VAL 47 N -3.85 5.30 0.22 3.52 1.01 0.68 0.01 120.40 127.30 1ozt s VAL 47 Ca 0.07 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1ozt s VAL 47 Cb 0.07 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1ozt s VAL 47 CO -0.09 0.38 0.26 -1.00 0.00 0.00 0.00 175.10 174.65 1ozt s HIS 48 N 0.82 3.30 0.28 5.22 0.09 0.20 -1.53 115.29 123.66 1ozt s HIS 48 Ca 0.07 -0.03 0.02 0.00 -0.00 0.00 0.00 55.06 55.12 1ozt s HIS 48 Cb -0.13 -1.52 0.57 0.00 -0.00 0.00 0.00 32.58 31.51 1ozt s HIS 48 CO 0.02 0.49 1.82 1.49 -0.00 0.00 0.00 174.74 178.56 1ozt h GLU 49 N 1.60 0.90 -6.07 1.40 4.81 -0.47 -2.92 114.58 113.83 1ozt h GLU 49 Ca -0.50 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.00 1ozt h GLU 49 Cb 1.22 -0.20 -0.23 0.00 0.63 0.00 0.00 28.75 30.17 1ozt h GLU 49 CO 0.62 0.60 -0.75 -0.06 -0.73 0.00 0.00 179.01 178.69 1ozt s PHE 50 N -5.95 2.77 -0.37 0.92 0.08 -0.28 -4.71 117.98 110.44 1ozt s PHE 50 Ca -0.12 -0.23 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 1ozt s PHE 50 Cb 0.23 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1ozt s PHE 50 CO 0.80 0.12 2.92 0.41 -0.10 0.00 0.00 175.22 179.37 1ozt n GLY 51 N 2.57 4.11 3.34 4.36 0.00 -1.07 -3.45 105.19 115.05 1ozt n GLY 51 Ca -0.17 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 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 4.60 -0.10 1.61 -1.08 -1.26 -4.94 116.67 116.14 1ozt s ASP 52 Ca 0.60 -0.41 0.15 0.00 -0.52 0.00 0.00 52.55 52.36 1ozt s ASP 52 Cb 0.37 -1.80 0.22 0.00 -1.46 0.00 0.00 42.92 40.26 1ozt s ASP 52 CO -0.18 -0.05 1.11 -3.20 0.52 0.00 0.00 175.17 173.37 1ozt n ASN 53 N 4.83 2.21 0.00 -0.34 4.05 -1.26 -2.89 115.26 121.86 1ozt n ASN 53 Ca -0.17 -2.84 0.16 0.00 0.45 0.00 0.00 54.58 52.18 1ozt n ASN 53 Cb 0.50 -0.34 0.62 0.00 1.23 0.00 0.00 39.78 41.80 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 0.19 0.82 -1.88 -0.44 1.35 -1.93 -2.54 112.91 108.48 1ozt h THR 54 Ca 0.00 -0.05 -0.57 0.00 -0.55 0.00 0.00 66.41 65.25 1ozt h THR 54 Cb 0.91 0.67 -0.42 0.00 -1.73 0.00 0.00 68.15 67.59 1ozt h THR 54 CO 0.00 0.02 -0.76 0.00 -0.25 0.00 0.00 175.52 174.54 1ozt n ALA 55 N -2.59 4.54 -0.73 6.62 0.00 -1.26 -5.05 120.51 122.04 1ozt n ALA 55 Ca 0.08 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.17 1ozt n ALA 55 Cb 0.47 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.29 0.35 0.08 0.00 0.00 -0.96 -3.16 105.19 101.23 1ozt n GLY 56 Ca 0.32 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 1.18 0.00 0.00 2.02 -1.89 -2.48 112.91 111.74 1ozt h THR 58 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1ozt h THR 58 Cb 0.43 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1ozt h THR 58 CO 0.00 0.19 0.00 -1.20 0.37 0.00 0.00 175.52 174.88 1ozt n SER 59 N -4.60 0.30 0.14 4.18 7.64 -1.19 -1.97 113.62 118.13 1ozt n SER 59 Ca 0.05 0.63 0.11 0.00 1.01 0.00 0.00 58.87 60.67 1ozt n SER 59 Cb 0.05 -0.67 0.53 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.65 1.36 -0.47 -0.43 0.00 -0.93 -4.50 120.51 113.89 1ozt n ALA 60 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ozt n ALA 60 Cb 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.63 -0.06 3.78 0.00 0.00 -0.83 -1.13 105.19 106.32 1ozt n GLY 61 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 1.57 0.59 1.61 0.04 -1.26 -4.67 135.00 132.88 1ozt s PRO 62 Ca 0.00 0.55 -0.20 0.00 0.04 0.00 0.00 61.00 61.39 1ozt s PRO 62 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1ozt s PRO 62 CO 0.00 -1.95 1.23 0.72 0.04 0.00 0.00 177.00 177.04 1ozt n HIS 63 N -3.64 1.79 -2.34 0.56 8.25 -1.26 -0.09 115.22 118.49 1ozt n HIS 63 Ca 0.07 0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 1ozt n HIS 63 Cb 0.57 -2.27 -0.02 0.00 1.12 0.00 0.00 29.99 29.38 1ozt n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ozt s PHE 64 N -1.37 2.27 -0.52 4.41 5.36 -0.58 -4.33 117.98 123.22 1ozt s PHE 64 Ca 0.76 0.58 0.06 0.00 -0.96 0.00 0.00 56.93 57.37 1ozt s PHE 64 Cb -0.41 -4.33 0.21 0.00 -0.34 0.00 0.00 43.02 38.15 1ozt s PHE 64 CO 0.46 -2.04 0.52 -1.71 -1.46 0.00 0.00 175.22 170.99 1ozt n ASN 65 N 9.48 1.40 -0.05 6.13 4.05 -1.26 -1.27 115.26 133.73 1ozt n ASN 65 Ca 0.15 -2.88 0.24 0.00 0.45 0.00 0.00 54.58 52.53 1ozt n ASN 65 Cb 0.49 -0.65 0.59 0.00 1.23 0.00 0.00 39.78 41.44 1ozt n ASN 65 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1ozt h PRO 66 N 4.75 0.00 -2.01 1.20 0.11 -1.92 -3.03 132.00 131.11 1ozt h PRO 66 Ca 0.17 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.76 1ozt h PRO 66 Cb 0.81 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.53 1ozt h PRO 66 CO 0.57 0.00 -1.14 1.28 -0.21 0.00 0.00 178.00 178.50 1ozt n LEU 67 N -3.43 0.63 -0.03 2.35 4.77 -1.26 -5.09 117.00 114.94 1ozt n LEU 67 Ca 0.15 -4.88 0.00 0.00 -0.03 0.00 0.00 56.01 51.25 1ozt n LEU 67 Cb 1.08 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 42.81 1ozt n LEU 67 CO 0.25 2.19 0.00 -1.54 -1.33 0.00 0.00 177.39 176.96 1ozt n SER 68 N 0.78 0.00 -4.17 -1.43 3.41 -1.15 -4.97 113.62 106.10 1ozt n SER 68 Ca 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 1ozt n SER 68 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1ozt n SER 68 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ozt s ARG 69 N 0.00 0.85 0.64 4.33 0.52 -1.26 -5.15 118.95 118.87 1ozt s ARG 69 Ca 0.00 -1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 53.70 1ozt s ARG 69 Cb 0.00 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 1ozt s ARG 69 CO 0.00 -0.06 1.10 0.15 0.02 0.00 0.00 175.30 176.50 1ozt s LYS 70 N -3.87 2.96 0.44 3.54 3.01 -1.26 -4.78 119.74 119.77 1ozt s LYS 70 Ca 0.14 1.35 -0.25 0.00 -1.01 0.00 0.00 55.97 56.20 1ozt s LYS 70 Cb 0.06 -1.97 -0.08 0.00 -1.01 0.00 0.00 37.83 34.83 1ozt s LYS 70 CO -0.04 -1.12 1.28 -1.58 0.51 0.00 0.00 175.35 174.40 1ozt s HIS 71 N -2.35 2.75 0.00 3.18 5.65 -0.49 -3.74 115.29 120.30 1ozt s HIS 71 Ca 0.66 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.41 1ozt s HIS 71 Cb -0.19 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.59 1ozt s HIS 71 CO 0.40 -2.07 0.00 0.41 -0.65 0.00 0.00 174.74 172.83 1ozt n GLY 72 N 0.63 2.33 3.97 1.59 0.00 -1.25 -4.48 105.19 107.99 1ozt n GLY 72 Ca 0.05 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1ozt n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ozt s GLY 73 N -0.65 1.69 0.28 -0.02 0.00 -1.23 -4.66 107.32 102.72 1ozt s GLY 73 Ca 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1ozt s GLY 73 CO 0.00 -1.12 1.79 -2.55 0.00 0.00 0.00 173.10 171.23 1ozt h PRO 74 N 0.47 0.78 0.00 2.90 0.11 -1.88 -1.69 132.00 132.69 1ozt h PRO 74 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ozt h PRO 74 Cb 1.27 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ozt h PRO 74 CO 0.53 0.52 -0.07 1.63 -0.21 0.00 0.00 178.00 180.40 1ozt n LYS 75 N -4.74 0.11 -1.28 1.05 5.02 -1.26 -4.90 118.16 112.14 1ozt n LYS 75 Ca 0.19 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.25 1ozt n LYS 75 Cb 0.44 -1.61 0.09 0.00 -0.02 0.00 0.00 35.03 33.93 1ozt n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ozt s ASP 76 N -3.59 4.45 -0.14 4.39 1.11 -0.64 -4.98 116.67 117.27 1ozt s ASP 76 Ca 0.12 1.75 -0.12 0.00 0.18 0.00 0.00 52.55 54.49 1ozt s ASP 76 Cb 0.16 -2.46 -0.25 0.00 1.07 0.00 0.00 42.92 41.44 1ozt s ASP 76 CO 0.58 -2.06 0.36 -0.08 1.18 0.00 0.00 175.17 175.14 1ozt h GLU 77 N -1.15 0.20 -5.26 8.23 4.22 -1.91 -3.41 114.58 115.51 1ozt h GLU 77 Ca -0.44 -0.34 -0.69 0.00 0.08 0.00 0.00 59.36 57.96 1ozt h GLU 77 Cb 1.24 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 30.47 1ozt h GLU 77 CO 0.52 1.16 1.39 -2.00 -2.18 0.00 0.00 179.01 177.91 1ozt s GLU 78 N -2.50 3.85 0.22 1.92 2.56 -1.26 -4.93 118.70 118.55 1ozt s GLU 78 Ca -0.24 -1.99 0.04 0.00 0.00 0.00 0.00 54.97 52.78 1ozt s GLU 78 Cb 0.06 -5.16 -0.02 0.00 2.00 0.00 0.00 34.13 31.02 1ozt s GLU 78 CO 0.73 -1.93 0.20 2.89 -0.56 0.00 0.00 175.26 176.58 1ozt n ARG 79 N 6.96 0.29 -4.12 4.30 1.85 -1.25 -3.84 116.66 120.85 1ozt n ARG 79 Ca 0.35 -2.10 -0.36 0.00 -1.00 0.00 0.00 57.85 54.74 1ozt n ARG 79 Cb 0.47 1.76 -0.08 0.00 -1.05 0.00 0.00 32.46 33.56 1ozt n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ozt s HIS 80 N -2.98 3.38 0.30 2.89 3.76 -1.26 -4.69 115.29 116.69 1ozt s HIS 80 Ca 0.25 0.36 0.05 0.00 -0.15 0.00 0.00 55.06 55.57 1ozt s HIS 80 Cb 0.01 -1.87 0.73 0.00 1.11 0.00 0.00 32.58 32.56 1ozt s HIS 80 CO 0.18 0.60 1.76 0.28 -0.85 0.00 0.00 174.74 176.70 1ozt h VAL 81 N 4.08 0.67 0.00 -0.90 2.07 -1.90 -1.76 116.25 118.51 1ozt h VAL 81 Ca -0.53 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ozt h VAL 81 Cb 1.21 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1ozt h VAL 81 CO 0.56 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.89 1ozt n GLY 82 N -1.33 -0.99 3.57 2.17 0.00 -0.40 -4.41 105.19 103.79 1ozt n GLY 82 Ca 0.23 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.69 6.14 0.00 1.61 1.01 -0.66 -0.23 116.67 121.84 1ozt s ASP 83 Ca 0.16 -0.02 0.23 0.00 0.71 0.00 0.00 52.55 53.63 1ozt s ASP 83 Cb 0.13 -2.55 0.59 0.00 1.01 0.00 0.00 42.92 42.10 1ozt s ASP 83 CO 0.31 -1.77 1.50 0.18 0.21 0.00 0.00 175.17 175.61 1ozt n LEU 84 N 9.53 3.83 0.00 1.23 4.77 -0.81 -4.03 117.00 131.52 1ozt n LEU 84 Ca 0.09 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 1ozt n LEU 84 Cb 0.49 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ozt n LEU 84 CO 0.71 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.31 1ozt n GLY 85 N 1.60 0.63 3.31 -0.72 0.00 -1.21 -4.83 105.19 103.99 1ozt n GLY 85 Ca 0.23 -1.08 -0.17 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 2.05 0.16 1.61 0.01 -1.26 -1.02 114.94 112.48 1ozt s ASN 86 Ca 0.00 -1.10 0.09 0.00 -0.71 0.00 0.00 52.86 51.14 1ozt s ASN 86 Cb 0.00 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 1ozt s ASN 86 CO 0.00 -0.36 -0.21 0.68 -1.51 0.00 0.00 177.10 175.69 1ozt s VAL 87 N -3.26 1.98 -0.15 1.60 -7.23 -0.01 -4.86 120.40 108.48 1ozt s VAL 87 Ca 0.23 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1ozt s VAL 87 Cb 0.03 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 1ozt s VAL 87 CO 0.06 -0.18 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.62 1ozt s THR 88 N -1.68 2.64 -0.15 5.32 2.01 -1.26 -1.16 115.64 121.36 1ozt s THR 88 Ca 0.15 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1ozt s THR 88 Cb -0.08 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1ozt s THR 88 CO 0.07 0.52 0.27 0.00 -0.69 0.00 0.00 174.62 174.79 1ozt s ALA 89 N 0.76 3.63 1.03 7.40 0.00 0.92 -4.05 121.76 131.46 1ozt s ALA 89 Ca -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1ozt s ALA 89 Cb -0.15 -2.34 0.08 0.00 0.00 0.00 0.00 23.12 20.70 1ozt s ALA 89 CO 0.01 0.16 0.36 -0.40 0.00 0.00 0.00 175.76 175.88 1ozt n ASP 90 N 3.33 -0.62 0.31 0.00 5.68 0.39 -0.29 116.55 125.35 1ozt n ASP 90 Ca -0.13 -0.93 0.20 0.00 -0.50 0.00 0.00 54.79 53.43 1ozt n ASP 90 Cb 0.52 -0.30 1.04 0.00 -1.14 0.00 0.00 41.12 41.24 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 -0.26 0.11 2.10 -1.97 -1.78 116.57 114.77 1ozt h LYS 91 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1ozt h LYS 91 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1ozt h LYS 91 CO 0.08 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.30 1ozt n ASP 92 N -3.27 1.76 -0.00 7.07 8.00 -1.26 -4.82 116.55 124.04 1ozt n ASP 92 Ca -0.02 -1.85 -0.00 0.00 0.71 0.00 0.00 54.79 53.63 1ozt n ASP 92 Cb 0.13 -0.17 -0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 1.09 0.48 3.68 0.44 0.00 -0.67 -4.75 105.19 105.47 1ozt n GLY 93 Ca 0.14 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.95 4.77 -0.19 1.61 1.01 -1.26 -1.00 120.40 123.38 1ozt s VAL 94 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1ozt s VAL 94 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1ozt s VAL 94 CO 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 175.10 175.49 1ozt s ALA 95 N -0.17 2.53 -0.22 5.51 0.00 0.10 -0.46 121.76 129.05 1ozt s ALA 95 Ca 0.07 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 1ozt s ALA 95 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1ozt s ALA 95 CO 0.01 -0.30 0.39 0.34 0.00 0.00 0.00 175.76 176.20 1ozt s ASP 96 N 1.24 6.39 -0.09 0.00 2.15 -1.26 -1.09 116.67 124.01 1ozt s ASP 96 Ca 0.03 0.46 -0.01 0.00 0.43 0.00 0.00 52.55 53.46 1ozt s ASP 96 Cb -0.14 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1ozt s ASP 96 CO -0.07 -0.11 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.10 1ozt s VAL 97 N 1.52 3.97 -0.30 1.11 1.01 0.13 -4.77 120.40 123.07 1ozt s VAL 97 Ca 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1ozt s VAL 97 Cb -0.15 -2.66 0.18 0.00 0.00 0.00 0.00 36.38 33.75 1ozt s VAL 97 CO 0.08 0.58 0.62 -0.55 0.00 0.00 0.00 175.10 175.83 1ozt s SER 98 N -0.60 -1.34 0.08 3.32 0.15 -1.25 -1.63 113.70 112.42 1ozt s SER 98 Ca 0.09 0.97 -0.02 0.00 0.70 0.00 0.00 55.95 57.69 1ozt s SER 98 Cb -0.12 2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 66.33 1ozt s SER 98 CO 0.02 -0.25 0.02 -0.63 1.20 0.00 0.00 173.24 173.60 1ozt s ILE 99 N 2.87 0.18 -0.04 6.45 1.01 0.19 -5.01 121.20 126.84 1ozt s ILE 99 Ca 0.17 -1.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.06 1ozt s ILE 99 Cb -0.14 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.73 1ozt s ILE 99 CO -0.21 -0.82 0.04 -0.70 0.00 0.00 0.00 174.94 173.25 1ozt s GLU 100 N -3.94 0.08 -0.01 2.79 2.12 -1.26 -1.42 118.70 117.06 1ozt s GLU 100 Ca 0.11 0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.73 1ozt s GLU 100 Cb 0.07 -0.54 -0.00 0.00 0.26 0.00 0.00 34.13 33.92 1ozt s GLU 100 CO -0.07 -0.28 -0.08 0.34 -0.54 0.00 0.00 175.26 174.64 1ozt s ASP 101 N 1.83 0.93 -0.09 -1.70 -1.08 -0.48 -4.96 116.67 111.11 1ozt s ASP 101 Ca 0.01 -0.14 0.13 0.00 -0.52 0.00 0.00 52.55 52.03 1ozt s ASP 101 Cb -0.12 -0.15 0.36 0.00 -1.46 0.00 0.00 42.92 41.54 1ozt s ASP 101 CO -0.03 0.08 1.28 -1.54 0.52 0.00 0.00 175.17 175.47 1ozt n SER 102 N 3.03 3.13 -0.12 -0.34 3.41 -1.26 -0.80 113.62 120.67 1ozt n SER 102 Ca -0.15 -2.57 -0.26 0.00 -0.26 0.00 0.00 58.87 55.63 1ozt n SER 102 Cb 0.56 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.30 1.54 -1.29 -3.33 0.31 -1.26 -4.92 118.33 109.08 1ozt n VAL 103 Ca 0.15 -0.37 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1ozt n VAL 103 Cb 0.63 -1.82 0.09 0.00 -0.91 0.00 0.00 33.84 31.82 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 3.38 0.09 2.52 -4.36 -1.26 -4.86 121.20 114.23 1ozt s ILE 104 Ca -0.36 0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 60.37 1ozt s ILE 104 Cb 0.12 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.88 1ozt s ILE 104 CO 0.54 -0.58 0.27 -0.55 0.24 0.00 0.00 174.94 174.85 1ozt s SER 105 N -3.41 -0.02 0.00 4.36 0.15 -0.93 -4.68 113.70 109.17 1ozt s SER 105 Ca 0.61 -0.47 0.19 0.00 0.70 0.00 0.00 55.95 56.99 1ozt s SER 105 Cb -0.17 0.37 0.55 0.00 -1.71 0.00 0.00 66.02 65.06 1ozt s SER 105 CO 0.56 -0.73 1.46 0.18 1.20 0.00 0.00 173.24 175.90 1ozt n LEU 106 N 0.05 3.29 -3.73 3.45 4.77 -1.26 -0.99 117.00 122.57 1ozt n LEU 106 Ca -0.16 -1.62 -0.08 0.00 -0.03 0.00 0.00 56.01 54.12 1ozt n LEU 106 Cb 0.62 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1ozt n LEU 106 CO 0.21 0.81 0.48 -0.94 -1.33 0.00 0.00 177.39 176.62 1ozt s SER 107 N -1.05 -0.33 0.15 -1.43 1.04 -1.26 -4.82 113.70 106.00 1ozt s SER 107 Ca 0.41 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1ozt s SER 107 Cb 0.22 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1ozt s SER 107 CO 0.28 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1ozt n GLY 108 N -0.44 -1.24 0.27 7.32 0.00 -1.26 -3.33 105.19 106.52 1ozt n GLY 108 Ca -0.07 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.57 1.61 3.32 -2.01 -2.40 116.42 116.37 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 0.07 0.00 1.41 -1.72 0.00 0.00 179.24 179.00 1ozt n HIS 110 N -3.97 1.23 -1.68 4.55 8.25 -1.26 -4.94 115.22 117.41 1ozt n HIS 110 Ca -0.03 -0.61 -0.47 0.00 -0.26 0.00 0.00 57.72 56.35 1ozt n HIS 110 Cb 0.16 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 4.34 0.61 -2.55 0.00 -5.35 -0.16 -4.93 119.36 111.32 1ozt n ILE 112 Ca 0.20 -0.80 -0.41 0.00 -0.27 0.00 0.00 62.75 61.46 1ozt n ILE 112 Cb 0.30 0.87 -0.04 0.00 -1.74 0.00 0.00 39.64 39.03 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 -1.32 4.06 0.00 7.28 1.01 -1.26 -2.18 121.20 128.80 1ozt s ILE 113 Ca 0.37 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.71 1ozt s ILE 113 Cb 0.21 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1ozt s ILE 113 CO 0.29 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1ozt n GLY 114 N 2.33 0.78 3.94 6.18 0.00 -0.07 -5.01 105.19 113.34 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 0.50 0.00 0.00 0.00 173.32 173.82 1ozt s ARG 115 N -0.66 2.32 -0.11 1.61 0.52 -0.93 -2.59 118.95 119.12 1ozt s ARG 115 Ca 0.00 -1.81 -0.03 0.00 -0.52 0.00 0.00 55.73 53.37 1ozt s ARG 115 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1ozt s ARG 115 CO 0.00 -0.62 -0.00 0.99 0.02 0.00 0.00 175.30 175.69 1ozt s THR 116 N -2.69 4.25 -0.18 0.02 2.01 -1.10 -0.45 115.64 117.49 1ozt s THR 116 Ca 0.45 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.10 1ozt s THR 116 Cb -0.04 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1ozt s THR 116 CO 0.28 0.57 0.11 -0.22 -0.69 0.00 0.00 174.62 174.67 1ozt s LEU 117 N -0.50 4.13 0.03 4.42 2.96 -0.64 0.59 118.68 129.67 1ozt s LEU 117 Ca 0.09 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1ozt s LEU 117 Cb -0.12 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1ozt s LEU 117 CO 0.02 0.21 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.41 1ozt s VAL 118 N 0.18 1.23 -0.16 1.68 1.01 0.10 -2.48 120.40 121.96 1ozt s VAL 118 Ca 0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1ozt s VAL 118 Cb -0.11 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 1ozt s VAL 118 CO -0.01 0.09 -0.13 0.54 0.00 0.00 0.00 175.10 175.59 1ozt s VAL 119 N -0.77 2.79 0.38 2.92 0.11 -0.76 -1.54 120.40 123.53 1ozt s VAL 119 Ca 0.03 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1ozt s VAL 119 Cb -0.08 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.54 1ozt s VAL 119 CO 0.01 0.50 0.62 -1.00 -3.33 0.00 0.00 175.10 171.91 1ozt s HIS 120 N 0.90 3.52 0.18 1.54 3.76 0.11 -1.37 115.29 123.93 1ozt s HIS 120 Ca -0.03 0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 55.28 1ozt s HIS 120 Cb -0.15 -2.05 0.10 0.00 1.11 0.00 0.00 32.58 31.59 1ozt s HIS 120 CO -0.01 0.01 1.84 1.49 -0.85 0.00 0.00 174.74 177.22 1ozt h GLU 121 N 0.72 0.75 -6.15 1.40 4.81 0.19 -3.33 114.58 112.97 1ozt h GLU 121 Ca -0.49 -0.05 -0.53 0.00 -0.13 0.00 0.00 59.36 58.16 1ozt h GLU 121 Cb 1.21 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.35 1ozt h GLU 121 CO 0.62 0.50 -0.55 0.15 -0.73 0.00 0.00 179.01 179.00 1ozt s LYS 122 N -6.14 2.48 0.75 1.92 1.02 0.58 -4.85 119.74 115.50 1ozt s LYS 122 Ca -0.13 -1.42 -0.13 0.00 0.02 0.00 0.00 55.97 54.31 1ozt s LYS 122 Cb 0.13 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1ozt s LYS 122 CO 0.75 0.20 1.16 0.00 -0.92 0.00 0.00 175.35 176.54 1ozt s ALA 123 N -2.35 2.10 -0.16 5.17 0.00 -1.14 -0.98 121.76 124.40 1ozt s ALA 123 Ca 0.36 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 1ozt s ALA 123 Cb -0.05 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1ozt s ALA 123 CO 0.23 -1.89 0.77 0.34 0.00 0.00 0.00 175.76 175.22 1ozt s ASP 124 N -2.46 6.91 0.44 0.00 -1.08 -1.26 -3.97 116.67 115.25 1ozt s ASP 124 Ca 0.69 1.11 0.21 0.00 -0.52 0.00 0.00 52.55 54.04 1ozt s ASP 124 Cb -0.24 -2.43 1.18 0.00 -1.46 0.00 0.00 42.92 39.97 1ozt s ASP 124 CO 0.48 -0.34 1.84 0.44 0.52 0.00 0.00 175.17 178.12 1ozt h ASP 125 N 7.29 0.32 -0.38 -0.34 3.32 0.23 -3.44 116.42 123.42 1ozt h ASP 125 Ca -0.31 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.65 1ozt h ASP 125 Cb 1.14 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 1ozt h ASP 125 CO 0.81 0.11 -0.12 0.18 -1.72 0.00 0.00 179.24 178.50 1ozt n LEU 126 N -4.48 -0.57 -0.01 1.55 4.77 -1.26 -2.08 117.00 114.93 1ozt n LEU 126 Ca 0.21 0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ozt n LEU 126 Cb 0.81 -1.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1ozt n LEU 126 CO 0.31 -0.30 -0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1ozt n GLY 127 N -2.06 0.46 1.07 -0.72 0.00 -1.26 -3.57 105.19 99.11 1ozt n GLY 127 Ca -0.07 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.66 3.28 0.20 1.61 4.76 -0.88 -4.45 118.16 120.02 1ozt n LYS 128 Ca -0.00 -2.87 0.14 0.00 -2.87 0.00 0.00 58.31 52.71 1ozt n LYS 128 Cb 0.05 -1.90 0.40 0.00 -1.84 0.00 0.00 35.03 31.74 1ozt n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ozt h GLY 129 N 2.24 0.00 0.00 0.72 0.00 -1.91 -3.48 103.07 100.64 1ozt h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ozt h GLY 129 CO 0.26 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.41 1ozt n GLY 130 N 0.70 0.60 2.54 4.60 0.00 -1.26 -5.00 105.19 107.36 1ozt n GLY 130 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 1.69 -1.11 0.23 1.61 0.23 -1.26 -5.03 115.26 111.61 1ozt n ASN 131 Ca 0.00 -2.37 -0.11 0.00 -0.53 0.00 0.00 54.58 51.57 1ozt n ASN 131 Cb 0.35 2.03 -0.06 0.00 -2.08 0.00 0.00 39.78 40.02 1ozt n ASN 131 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1ozt h GLU 132 N 0.00 -0.66 -0.93 -3.83 4.39 -2.01 -2.99 114.58 108.55 1ozt h GLU 132 Ca -0.21 0.04 0.28 0.00 0.34 0.00 0.00 59.36 59.81 1ozt h GLU 132 Cb 0.89 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 29.53 1ozt h GLU 132 CO 0.28 -0.44 0.31 0.93 -1.16 0.00 0.00 179.01 178.94 1ozt h GLU 133 N -0.68 0.19 0.03 2.33 4.39 -1.98 -2.53 114.58 116.33 1ozt h GLU 133 Ca -0.06 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1ozt h GLU 133 Cb 0.56 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 1ozt h GLU 133 CO 0.03 0.12 -0.51 1.03 -1.16 0.00 0.00 179.01 178.53 1ozt h SER 134 N 0.19 -1.57 0.27 1.42 0.87 -1.87 1.36 113.55 114.22 1ozt h SER 134 Ca 0.63 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.36 1ozt h SER 134 Cb 1.36 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1ozt h SER 134 CO -0.69 -0.51 0.00 0.35 -0.53 0.00 0.00 176.83 175.45 1ozt n THR 135 N -5.32 1.29 -0.02 2.23 -2.24 -0.97 -0.38 114.28 108.87 1ozt n THR 135 Ca -0.07 0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 62.01 1ozt n THR 135 Cb 0.38 -1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 67.43 1ozt n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ozt n LYS 136 N -1.46 0.14 -0.06 -0.78 4.81 0.00 -1.39 118.16 119.42 1ozt n LYS 136 Ca 0.02 0.08 0.03 0.00 -0.87 0.00 0.00 58.31 57.58 1ozt n LYS 136 Cb 0.09 -0.78 0.06 0.00 0.02 0.00 0.00 35.03 34.42 1ozt n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ozt n THR 137 N -3.03 1.20 -1.13 3.15 -2.24 0.45 -4.60 114.28 108.08 1ozt n THR 137 Ca -0.04 -1.25 -0.05 0.00 -2.27 0.00 0.00 64.05 60.45 1ozt n THR 137 Cb 0.14 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1ozt n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozt n GLY 138 N -0.48 0.48 3.36 3.38 0.00 0.49 -2.72 105.19 109.70 1ozt n GLY 138 Ca 0.06 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1ozt n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ozt n ASN 139 N -0.94 -4.47 0.18 1.61 3.02 -1.26 0.92 115.26 114.32 1ozt n ASN 139 Ca -0.05 -0.42 0.13 0.00 -0.03 0.00 0.00 54.58 54.21 1ozt n ASN 139 Cb 0.49 -3.65 0.63 0.00 -0.61 0.00 0.00 39.78 36.64 1ozt n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ozt h ALA 140 N 0.98 1.00 0.00 5.41 0.00 -1.64 -3.44 119.26 121.57 1ozt h ALA 140 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ozt h ALA 140 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ozt h ALA 140 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1ozt n GLY 141 N -0.68 -1.77 3.73 0.00 0.00 -1.26 0.21 105.19 105.42 1ozt n GLY 141 Ca -0.00 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.00 4.23 -0.52 1.61 1.04 -1.26 -4.48 113.70 110.33 1ozt s SER 142 Ca 0.00 2.17 -0.27 0.00 0.48 0.00 0.00 55.95 58.33 1ozt s SER 142 Cb 0.00 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1ozt s SER 142 CO 0.00 -2.23 1.04 -0.13 0.98 0.00 0.00 173.24 172.90 1ozt s ARG 143 N -4.22 3.52 0.10 4.02 0.52 -1.26 0.56 118.95 122.19 1ozt s ARG 143 Ca 0.69 0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 55.95 1ozt s ARG 143 Cb -0.24 -3.97 -0.17 0.00 0.52 0.00 0.00 34.95 31.08 1ozt s ARG 143 CO 0.48 -1.43 1.27 -0.07 0.02 0.00 0.00 175.30 175.57 1ozt h LEU 144 N 11.14 0.92 -7.10 2.53 3.38 -1.52 -3.47 115.31 121.18 1ozt h LEU 144 Ca -0.25 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.09 1ozt h LEU 144 Cb 1.07 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.43 1ozt h LEU 144 CO 1.10 1.45 0.25 0.00 0.09 0.00 0.00 178.44 181.34 1ozt s ALA 145 N -3.59 -1.60 0.19 1.53 0.00 -1.21 -4.15 121.76 112.93 1ozt s ALA 145 Ca -0.10 0.48 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 1ozt s ALA 145 Cb 0.08 0.82 0.06 0.00 0.00 0.00 0.00 23.12 24.08 1ozt s ALA 145 CO 0.91 -0.79 0.96 0.00 0.00 0.00 0.00 175.76 176.84 1ozt s GLY 147 N -3.10 -0.41 0.18 0.00 0.00 -1.04 -1.02 107.32 101.94 1ozt s GLY 147 Ca 0.15 0.82 -0.20 0.00 0.00 0.00 0.00 44.72 45.50 1ozt s GLY 147 CO 0.04 0.26 0.69 0.14 0.00 0.00 0.00 173.10 174.23 1ozt s VAL 148 N -3.12 4.60 -0.43 1.40 1.01 -1.26 -1.61 120.40 120.99 1ozt s VAL 148 Ca 0.07 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 1ozt s VAL 148 Cb -0.01 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1ozt s VAL 148 CO -0.06 0.30 0.84 -0.63 0.00 0.00 0.00 175.10 175.55 1ozt s ILE 149 N -1.41 4.61 0.32 2.22 1.01 0.41 -4.48 121.20 123.87 1ozt s ILE 149 Ca 0.39 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.81 1ozt s ILE 149 Cb -0.18 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 37.93 1ozt s ILE 149 CO 0.21 -0.67 0.30 -0.83 0.00 0.00 0.00 174.94 173.95 1ozt s GLY 150 N 2.09 1.69 -0.00 6.18 0.00 -0.21 -0.89 107.32 116.18 1ozt s GLY 150 Ca 0.33 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1ozt s GLY 150 CO 0.22 -1.53 1.32 -0.42 0.00 0.00 0.00 173.10 172.69 1ozt s ILE 151 N -2.26 3.88 0.35 0.90 1.01 -1.26 -0.76 121.20 123.06 1ozt s ILE 151 Ca 0.40 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.39 1ozt s ILE 151 Cb -0.07 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1ozt s ILE 151 CO 0.27 0.02 0.33 0.00 0.00 0.00 0.00 174.94 175.55 1ozt s ALA 152 N 2.09 3.92 -2.07 9.38 0.00 -0.87 -4.81 121.76 129.40 1ozt s ALA 152 Ca 0.61 -1.69 0.31 0.00 0.00 0.00 0.00 51.96 51.19 1ozt s ALA 152 Cb -0.30 -1.18 1.80 0.00 0.00 0.00 0.00 23.12 23.44 1ozt s ALA 152 CO 0.26 -0.05 2.17 0.94 0.00 0.00 0.00 175.76 179.08