#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ob0 s ARG 5 N 0.00 0.23 -0.13 1.43 1.70 -1.26 -5.02 118.95 115.90 2ob0 s ARG 5 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 2ob0 s ARG 5 Cb 0.00 -0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.15 2ob0 s ARG 5 CO 0.00 0.06 -0.15 0.42 -1.08 0.00 0.00 175.30 174.55 2ob0 s ILE 6 N -0.09 2.86 0.01 4.99 1.01 -1.26 -1.37 121.20 127.34 2ob0 s ILE 6 Ca 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 2ob0 s ILE 6 Cb -0.01 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 2ob0 s ILE 6 CO -0.00 0.52 0.01 -1.61 0.00 0.00 0.00 174.94 173.86 2ob0 s GLU 7 N 0.48 0.19 0.02 2.79 2.02 -0.85 -4.99 118.70 118.35 2ob0 s GLU 7 Ca -0.10 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2ob0 s GLU 7 Cb -0.16 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 2ob0 s GLU 7 CO 0.05 -0.03 0.11 -0.51 0.02 0.00 0.00 175.26 174.89 2ob0 s LEU 8 N -0.75 3.98 0.13 1.80 1.43 -1.26 -0.21 118.68 123.80 2ob0 s LEU 8 Ca -0.08 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2ob0 s LEU 8 Cb -0.05 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2ob0 s LEU 8 CO -0.00 0.24 0.01 -0.83 0.23 0.00 0.00 176.35 175.99 2ob0 s GLY 9 N -2.00 0.97 0.54 -3.19 0.00 -0.13 -4.99 107.32 98.54 2ob0 s GLY 9 Ca 0.26 -1.46 -0.19 0.00 0.00 0.00 0.00 44.72 43.33 2ob0 s GLY 9 CO 0.18 -1.42 1.11 0.99 0.00 0.00 0.00 173.10 173.95 2ob0 s ASP 10 N -3.07 5.80 -0.12 1.64 1.01 -1.26 -1.04 116.67 119.64 2ob0 s ASP 10 Ca 0.20 2.09 -0.20 0.00 0.71 0.00 0.00 52.55 55.36 2ob0 s ASP 10 Cb 0.07 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2ob0 s ASP 10 CO 0.00 -1.16 0.55 -0.69 0.21 0.00 0.00 175.17 174.08 2ob0 s VAL 11 N -1.89 5.14 0.16 -1.27 1.01 -1.26 -4.63 120.40 117.65 2ob0 s VAL 11 Ca 0.71 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.80 2ob0 s VAL 11 Cb -0.22 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2ob0 s VAL 11 CO 0.27 0.28 -0.02 0.42 0.00 0.00 0.00 175.10 176.06 2ob0 s THR 12 N 0.82 0.73 0.55 3.92 -4.23 -1.26 -4.89 115.64 111.28 2ob0 s THR 12 Ca 0.29 -1.98 0.28 0.00 -1.18 0.00 0.00 61.69 59.09 2ob0 s THR 12 Cb -0.16 -2.04 0.41 0.00 1.34 0.00 0.00 72.50 72.05 2ob0 s THR 12 CO 0.12 -0.55 1.96 -0.65 -0.54 0.00 0.00 174.62 174.96 2ob0 h PRO 13 N 2.73 0.00 0.00 3.99 0.11 -1.97 -1.13 132.00 135.73 2ob0 h PRO 13 Ca -0.36 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 2ob0 h PRO 13 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2ob0 h PRO 13 CO 0.63 0.00 -0.24 1.25 -0.21 0.00 0.00 178.00 179.43 2ob0 h HIS 14 N 0.00 0.00 0.00 0.65 2.76 -2.00 -3.30 115.15 113.26 2ob0 h HIS 14 Ca 0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2ob0 h HIS 14 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2ob0 h HIS 14 CO 0.00 0.24 0.00 0.27 -1.30 0.00 0.00 177.93 177.14 2ob0 n ASN 15 N -3.97 1.11 -0.33 3.26 0.23 -0.53 -4.75 115.26 110.29 2ob0 n ASN 15 Ca -0.02 -1.23 0.06 0.00 -0.53 0.00 0.00 54.58 52.86 2ob0 n ASN 15 Cb 0.32 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.23 2ob0 n ASN 15 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2ob0 h ILE 16 N 0.19 0.89 -0.38 1.53 6.09 -1.36 -1.37 117.51 123.10 2ob0 h ILE 16 Ca 0.00 -0.30 -0.04 0.00 -1.37 0.00 0.00 64.86 63.15 2ob0 h ILE 16 Cb 0.19 -0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.40 2ob0 h ILE 16 CO 0.00 0.16 0.06 0.11 -3.07 0.00 0.00 178.15 175.41 2ob0 h LYS 17 N 0.88 0.58 -0.45 2.19 1.57 -1.85 -0.96 116.57 118.53 2ob0 h LYS 17 Ca 0.46 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 59.00 2ob0 h LYS 17 Cb 0.47 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2ob0 h LYS 17 CO -0.27 0.56 -0.24 0.37 -0.57 0.00 0.00 179.45 179.29 2ob0 h GLN 18 N 0.56 0.95 -0.38 3.15 4.15 -1.64 -1.53 115.11 120.37 2ob0 h GLN 18 Ca 0.13 -0.43 0.04 0.00 0.77 0.00 0.00 58.65 59.15 2ob0 h GLN 18 Cb 0.27 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 2ob0 h GLN 18 CO 0.00 1.09 0.16 1.25 -1.93 0.00 0.00 178.83 179.40 2ob0 h LEU 19 N 0.79 0.21 -0.76 -2.39 6.46 -0.62 -1.43 115.31 117.57 2ob0 h LEU 19 Ca 0.10 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2ob0 h LEU 19 Cb 0.82 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 2ob0 h LEU 19 CO 0.07 0.16 0.50 0.50 -0.62 0.00 0.00 178.44 179.05 2ob0 h LYS 20 N 0.33 0.98 -0.57 1.25 3.64 -1.00 -0.52 116.57 120.68 2ob0 h LYS 20 Ca 0.17 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2ob0 h LYS 20 Cb 0.11 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2ob0 h LYS 20 CO -0.14 0.65 0.33 0.00 -2.27 0.00 0.00 179.45 178.02 2ob0 h ARG 21 N 1.01 0.77 -0.10 1.90 3.08 -0.89 -0.57 114.38 119.58 2ob0 h ARG 21 Ca 0.28 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2ob0 h ARG 21 Cb -0.10 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 2ob0 h ARG 21 CO -0.07 0.57 0.06 -0.07 -1.07 0.00 0.00 179.97 179.39 2ob0 h LEU 22 N 0.76 0.12 -1.29 3.04 3.38 -0.94 -2.72 115.31 117.67 2ob0 h LEU 22 Ca 0.20 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2ob0 h LEU 22 Cb -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2ob0 h LEU 22 CO -0.04 0.14 0.51 0.78 0.09 0.00 0.00 178.44 179.92 2ob0 h ASN 23 N 0.09 0.79 0.51 -0.43 2.35 -0.70 -0.47 115.58 117.72 2ob0 h ASN 23 Ca 0.04 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 2ob0 h ASN 23 Cb 0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2ob0 h ASN 23 CO -0.01 0.53 -0.33 1.56 -1.65 0.00 0.00 177.43 177.53 2ob0 h GLN 24 N 0.91 0.00 0.16 0.81 4.20 -0.92 -1.70 115.11 118.57 2ob0 h GLN 24 Ca 0.31 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.79 2ob0 h GLN 24 Cb 0.10 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 2ob0 h GLN 24 CO -0.10 0.33 -1.04 0.28 -0.67 0.00 0.00 178.83 177.63 2ob0 h VAL 25 N 0.00 1.39 0.15 -0.54 2.07 -1.01 -3.40 116.25 114.91 2ob0 h VAL 25 Ca -0.00 -2.54 -0.29 0.00 0.82 0.00 0.00 66.70 64.69 2ob0 h VAL 25 Cb 0.67 3.09 0.01 0.00 -1.52 0.00 0.00 31.29 33.55 2ob0 h VAL 25 CO 0.04 0.73 -1.27 0.40 0.02 0.00 0.00 177.57 177.49 2ob0 h ILE 26 N -0.27 1.43 -3.71 4.57 2.04 -1.03 -3.47 117.51 117.08 2ob0 h ILE 26 Ca -0.19 -2.90 -0.68 0.00 1.00 0.00 0.00 64.86 62.09 2ob0 h ILE 26 Cb 1.76 2.91 -0.19 0.00 -0.74 0.00 0.00 36.82 40.57 2ob0 h ILE 26 CO 0.16 0.85 -0.72 -0.36 0.00 0.00 0.00 178.15 178.08 2ob0 s PHE 27 N -2.71 2.83 -2.01 1.37 0.08 -0.65 -5.02 117.98 111.87 2ob0 s PHE 27 Ca -0.06 -0.08 0.22 0.00 0.12 0.00 0.00 56.93 57.14 2ob0 s PHE 27 Cb 0.06 -1.60 1.32 0.00 -0.57 0.00 0.00 43.02 42.24 2ob0 s PHE 27 CO 0.90 0.33 1.85 -0.35 -0.10 0.00 0.00 175.22 177.86 2ob0 n PRO 28 N 1.70 1.02 -4.49 0.24 -0.04 -1.26 -4.75 135.00 127.42 2ob0 n PRO 28 Ca -0.16 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 2ob0 n PRO 28 Cb 0.52 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.50 2ob0 n PRO 28 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2ob0 s VAL 29 N -2.00 2.22 -0.10 0.52 -7.23 -1.26 -4.94 120.40 107.62 2ob0 s VAL 29 Ca 0.34 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 2ob0 s VAL 29 Cb 0.16 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 2ob0 s VAL 29 CO 0.26 0.14 0.24 -0.44 -0.31 0.00 0.00 175.10 175.00 2ob0 s SER 30 N -1.89 6.50 -0.03 4.85 0.01 -1.26 -4.90 113.70 116.98 2ob0 s SER 30 Ca 0.13 0.59 -0.01 0.00 1.31 0.00 0.00 55.95 57.97 2ob0 s SER 30 Cb -0.10 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2ob0 s SER 30 CO 0.05 0.30 0.06 -0.31 0.41 0.00 0.00 173.24 173.76 2ob0 s TYR 31 N -0.61 3.27 0.91 2.43 2.02 -1.26 -5.11 117.35 119.00 2ob0 s TYR 31 Ca 0.17 0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.97 2ob0 s TYR 31 Cb -0.13 -1.76 0.19 0.00 -0.40 0.00 0.00 41.96 39.85 2ob0 s TYR 31 CO 0.06 0.55 1.25 0.54 -1.57 0.00 0.00 175.55 176.38 2ob0 s ASN 32 N -1.49 3.38 0.37 2.29 2.20 -1.26 -4.92 114.94 115.50 2ob0 s ASN 32 Ca 0.20 0.11 0.04 0.00 -0.94 0.00 0.00 52.86 52.27 2ob0 s ASN 32 Cb -0.12 -0.22 0.70 0.00 -2.00 0.00 0.00 41.25 39.61 2ob0 s ASN 32 CO 0.10 -2.55 2.02 0.44 -2.94 0.00 0.00 177.10 174.18 2ob0 h ASP 33 N -1.40 0.64 -0.50 3.54 5.19 -2.00 -2.49 116.42 119.41 2ob0 h ASP 33 Ca -0.42 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.92 2ob0 h ASP 33 Cb 1.24 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 2ob0 h ASP 33 CO 0.38 0.48 0.16 0.50 -3.12 0.00 0.00 179.24 177.64 2ob0 h LYS 34 N 0.75 0.83 -0.17 3.56 1.63 -1.99 -0.53 116.57 120.65 2ob0 h LYS 34 Ca 0.20 -0.15 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2ob0 h LYS 34 Cb -0.07 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 2ob0 h LYS 34 CO -0.04 0.72 -0.03 0.35 -3.45 0.00 0.00 179.45 177.01 2ob0 h PHE 35 N 0.80 -0.06 -0.09 1.91 3.57 -1.80 -0.01 116.94 121.26 2ob0 h PHE 35 Ca 0.18 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 2ob0 h PHE 35 Cb 0.25 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2ob0 h PHE 35 CO 0.02 -0.06 -0.55 1.88 -2.23 0.00 0.00 178.31 177.37 2ob0 h TYR 36 N 0.02 0.33 -0.27 0.41 0.05 -1.38 -1.20 116.97 114.94 2ob0 h TYR 36 Ca 0.08 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 2ob0 h TYR 36 Cb 0.12 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2ob0 h TYR 36 CO -0.18 0.76 0.17 0.87 -1.05 0.00 0.00 178.16 178.72 2ob0 h LYS 37 N 0.21 0.36 -0.25 4.88 1.57 -1.00 -3.21 116.57 119.12 2ob0 h LYS 37 Ca 0.00 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2ob0 h LYS 37 Cb 1.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2ob0 h LYS 37 CO 0.09 0.27 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.65 2ob0 h ASP 38 N 0.35 0.42 0.30 0.86 3.32 -0.58 -2.78 116.42 118.30 2ob0 h ASP 38 Ca 0.10 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2ob0 h ASP 38 Cb -0.00 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2ob0 h ASP 38 CO -0.02 0.59 -0.15 -0.37 -1.72 0.00 0.00 179.24 177.57 2ob0 h VAL 39 N 0.40 0.78 0.00 -1.35 -1.51 -1.23 -1.97 116.25 111.36 2ob0 h VAL 39 Ca 0.07 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2ob0 h VAL 39 Cb 0.49 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2ob0 h VAL 39 CO 0.03 0.15 0.00 -0.07 -1.23 0.00 0.00 177.57 176.45 2ob0 h LEU 40 N 0.00 0.00 -2.69 4.19 3.38 -1.55 -3.30 115.31 115.34 2ob0 h LEU 40 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ob0 h LEU 40 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ob0 h LEU 40 CO 0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 2ob0 n GLU 41 N -2.44 2.62 -0.04 1.13 1.02 -0.74 -4.55 120.64 117.64 2ob0 n GLU 41 Ca 0.03 -2.18 0.04 0.00 -0.02 0.00 0.00 57.16 55.02 2ob0 n GLU 41 Cb 0.32 -1.37 0.06 0.00 -0.02 0.00 0.00 31.44 30.42 2ob0 n GLU 41 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2ob0 n VAL 42 N 0.94 1.34 0.00 2.62 0.24 -1.24 -5.09 118.33 117.15 2ob0 n VAL 42 Ca 0.16 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 2ob0 n VAL 42 Cb 0.49 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 2ob0 n VAL 42 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ob0 n GLY 43 N -0.81 3.39 0.00 7.63 0.00 -1.26 -2.34 105.19 111.81 2ob0 n GLY 43 Ca 0.06 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2ob0 n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ob0 n GLU 44 N 14.00 0.75 0.00 1.61 1.02 -1.26 -2.78 120.64 133.98 2ob0 n GLU 44 Ca 0.00 0.01 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 2ob0 n GLU 44 Cb 0.00 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.28 2ob0 n GLU 44 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ob0 n LEU 45 N -1.05 0.00 -3.98 -4.62 4.77 -0.99 -4.55 117.00 106.57 2ob0 n LEU 45 Ca 0.18 0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 56.24 2ob0 n LEU 45 Cb 0.11 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.77 2ob0 n LEU 45 CO 0.16 -0.15 -0.43 0.00 -1.33 0.00 0.00 177.39 175.64 2ob0 s ALA 46 N -2.56 0.80 0.00 -1.18 0.00 -1.12 -0.56 121.76 117.16 2ob0 s ALA 46 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 2ob0 s ALA 46 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 2ob0 s ALA 46 CO 0.22 0.12 0.07 0.15 0.00 0.00 0.00 175.76 176.32 2ob0 s LYS 47 N 0.25 0.37 0.16 0.00 -0.14 -0.08 -4.18 119.74 116.11 2ob0 s LYS 47 Ca -0.04 -0.39 -0.11 0.00 -1.36 0.00 0.00 55.97 54.07 2ob0 s LYS 47 Cb -0.09 0.15 -0.07 0.00 -1.68 0.00 0.00 37.83 36.14 2ob0 s LYS 47 CO 0.00 -0.08 0.50 -0.51 -0.76 0.00 0.00 175.35 174.51 2ob0 s LEU 48 N -1.20 4.28 -0.16 3.17 1.43 -0.21 -1.32 118.68 124.68 2ob0 s LEU 48 Ca -0.13 0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 53.85 2ob0 s LEU 48 Cb -0.07 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 2ob0 s LEU 48 CO 0.00 0.06 -0.01 0.00 0.23 0.00 0.00 176.35 176.63 2ob0 s ALA 49 N -1.58 3.13 -0.06 4.21 0.00 0.77 -0.95 121.76 127.28 2ob0 s ALA 49 Ca 0.40 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.60 2ob0 s ALA 49 Cb -0.13 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 2ob0 s ALA 49 CO 0.20 0.23 -0.16 0.71 0.00 0.00 0.00 175.76 176.74 2ob0 s TYR 50 N 0.28 2.66 -0.24 0.00 2.02 0.71 -0.38 117.35 122.40 2ob0 s TYR 50 Ca -0.01 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2ob0 s TYR 50 Cb -0.13 -1.64 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 2ob0 s TYR 50 CO 0.02 0.08 -0.13 0.12 -1.57 0.00 0.00 175.55 174.07 2ob0 s PHE 51 N -0.52 3.12 -1.54 2.71 5.36 0.13 -2.00 117.98 125.23 2ob0 s PHE 51 Ca 0.07 -2.14 -0.09 0.00 -0.96 0.00 0.00 56.93 53.81 2ob0 s PHE 51 Cb -0.12 -1.92 0.07 0.00 -0.34 0.00 0.00 43.02 40.72 2ob0 s PHE 51 CO 0.01 -0.86 0.63 0.09 -1.46 0.00 0.00 175.22 173.64 2ob0 n ASN 52 N 4.49 -2.02 -0.06 6.13 3.02 -0.47 -1.44 115.26 124.91 2ob0 n ASN 52 Ca -0.16 -0.98 -0.01 0.00 -0.03 0.00 0.00 54.58 53.40 2ob0 n ASN 52 Cb 0.44 -3.03 -0.00 0.00 -0.61 0.00 0.00 39.78 36.58 2ob0 n ASN 52 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ob0 n ASP 53 N -2.84 -4.17 -4.58 6.41 8.00 -1.26 -5.00 116.55 113.11 2ob0 n ASP 53 Ca -0.12 0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.05 2ob0 n ASP 53 Cb 0.59 -1.74 -0.11 0.00 -0.02 0.00 0.00 41.12 39.85 2ob0 n ASP 53 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ob0 s ILE 54 N -1.67 4.68 -0.10 0.53 1.01 -0.52 -5.05 121.20 120.09 2ob0 s ILE 54 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 2ob0 s ILE 54 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2ob0 s ILE 54 CO 0.00 0.42 1.45 0.00 0.00 0.00 0.00 174.94 176.81 2ob0 s ALA 55 N 0.75 3.63 0.00 9.38 0.00 -1.26 0.20 121.76 134.47 2ob0 s ALA 55 Ca 0.04 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2ob0 s ALA 55 Cb -0.13 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2ob0 s ALA 55 CO 0.02 -1.24 0.18 1.33 0.00 0.00 0.00 175.76 176.05 2ob0 n VAL 56 N 5.33 0.00 -3.83 0.00 0.24 0.48 -4.93 118.33 115.63 2ob0 n VAL 56 Ca 0.15 -0.21 -0.04 0.00 -2.04 0.00 0.00 64.34 62.20 2ob0 n VAL 56 Cb 0.44 1.50 0.01 0.00 -1.47 0.00 0.00 33.84 34.31 2ob0 n VAL 56 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2ob0 s GLY 57 N -0.06 0.04 0.06 7.63 0.00 -1.10 -0.63 107.32 113.26 2ob0 s GLY 57 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 44.72 44.19 2ob0 s GLY 57 CO 0.00 1.06 0.63 0.00 0.00 0.00 0.00 173.10 174.79 2ob0 s ALA 58 N -2.62 -1.65 -0.04 3.20 0.00 -0.75 -0.17 121.76 119.72 2ob0 s ALA 58 Ca 0.17 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.00 2ob0 s ALA 58 Cb -0.03 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2ob0 s ALA 58 CO 0.06 -0.58 -0.08 0.54 0.00 0.00 0.00 175.76 175.70 2ob0 s VAL 59 N -2.56 0.75 -0.08 0.00 0.11 -0.44 -2.03 120.40 116.15 2ob0 s VAL 59 Ca -0.05 -0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2ob0 s VAL 59 Cb -0.01 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2ob0 s VAL 59 CO -0.02 0.26 -0.04 0.00 -3.33 0.00 0.00 175.10 171.96 2ob0 s ARG 62 N -3.62 0.08 -0.16 0.00 3.52 0.13 -4.80 118.95 114.10 2ob0 s ARG 62 Ca 0.32 -0.02 -0.24 0.00 -0.13 0.00 0.00 55.73 55.66 2ob0 s ARG 62 Cb 0.02 -0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 2ob0 s ARG 62 CO 0.16 0.01 0.76 0.08 -0.81 0.00 0.00 175.30 175.50 2ob0 s VAL 63 N 0.04 4.94 -0.16 7.11 1.01 -1.26 -0.68 120.40 131.41 2ob0 s VAL 63 Ca -0.00 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 2ob0 s VAL 63 Cb -0.01 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2ob0 s VAL 63 CO -0.00 0.09 -0.07 -0.62 0.00 0.00 0.00 175.10 174.49 2ob0 s ASP 64 N 1.11 4.38 -0.81 3.32 2.15 0.09 -4.98 116.67 121.94 2ob0 s ASP 64 Ca 0.36 -0.27 0.02 0.00 0.43 0.00 0.00 52.55 53.09 2ob0 s ASP 64 Cb -0.17 -1.71 0.30 0.00 -0.30 0.00 0.00 42.92 41.05 2ob0 s ASP 64 CO 0.13 0.12 1.19 1.41 -0.17 0.00 0.00 175.17 177.85 2ob0 n HIS 65 N 3.83 3.22 -4.16 -5.34 8.25 -1.26 -0.36 115.22 119.40 2ob0 n HIS 65 Ca -0.18 -3.41 -0.23 0.00 -0.26 0.00 0.00 57.72 53.65 2ob0 n HIS 65 Cb 0.52 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 30.73 2ob0 n HIS 65 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ob0 s SER 66 N -2.34 4.84 -1.87 0.41 1.04 -1.19 -4.74 113.70 109.85 2ob0 s SER 66 Ca 0.40 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2ob0 s SER 66 Cb 0.16 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.35 2ob0 s SER 66 CO -0.03 -0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.06 2ob0 n GLN 67 N -1.07 -1.39 -1.42 4.02 6.02 -1.26 -1.52 117.38 120.76 2ob0 n GLN 67 Ca -0.05 1.08 -0.13 0.00 -0.01 0.00 0.00 57.00 57.89 2ob0 n GLN 67 Cb 0.59 -5.47 -0.05 0.00 1.02 0.00 0.00 30.24 26.33 2ob0 n GLN 67 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2ob0 n ASN 68 N -1.26 -4.47 -4.31 1.08 2.04 -1.26 -5.00 115.26 102.07 2ob0 n ASN 68 Ca -0.20 0.29 -0.20 0.00 -0.44 0.00 0.00 54.58 54.03 2ob0 n ASN 68 Cb 0.64 -3.12 -0.11 0.00 -2.53 0.00 0.00 39.78 34.66 2ob0 n ASN 68 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 2ob0 s GLN 69 N -3.16 1.22 -0.26 -3.83 -0.21 -0.58 -5.13 119.66 107.71 2ob0 s GLN 69 Ca 0.00 -1.40 -0.11 0.00 0.02 0.00 0.00 55.36 53.87 2ob0 s GLN 69 Cb 0.00 -1.18 -0.05 0.00 1.00 0.00 0.00 33.01 32.78 2ob0 s GLN 69 CO 0.00 0.23 0.20 0.21 -2.12 0.00 0.00 175.29 173.81 2ob0 s LYS 70 N -2.94 4.01 0.06 2.91 2.20 -1.26 -3.15 119.74 121.57 2ob0 s LYS 70 Ca 0.15 -0.25 0.06 0.00 -0.36 0.00 0.00 55.97 55.57 2ob0 s LYS 70 Cb -0.04 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 2ob0 s LYS 70 CO 0.06 -0.09 -0.16 1.03 -0.36 0.00 0.00 175.35 175.83 2ob0 s ARG 71 N 1.50 0.99 -0.27 4.03 0.52 0.52 0.15 118.95 126.38 2ob0 s ARG 71 Ca 0.08 -0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 54.31 2ob0 s ARG 71 Cb -0.15 -1.05 -0.05 0.00 0.52 0.00 0.00 34.95 34.22 2ob0 s ARG 71 CO 0.08 0.25 0.17 -1.17 0.02 0.00 0.00 175.30 174.66 2ob0 s LEU 72 N -1.38 3.97 -0.25 2.53 2.96 -0.43 -0.73 118.68 125.35 2ob0 s LEU 72 Ca 0.02 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 2ob0 s LEU 72 Cb -0.09 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2ob0 s LEU 72 CO 0.02 -0.03 0.16 -0.47 -1.32 0.00 0.00 176.35 174.71 2ob0 s TYR 73 N 1.62 3.27 0.61 5.38 5.04 0.15 -1.12 117.35 132.29 2ob0 s TYR 73 Ca 0.07 0.14 -0.07 0.00 -2.44 0.00 0.00 57.07 54.77 2ob0 s TYR 73 Cb -0.15 -2.29 0.01 0.00 0.35 0.00 0.00 41.96 39.87 2ob0 s TYR 73 CO 0.09 -0.03 0.94 0.42 -1.34 0.00 0.00 175.55 175.63 2ob0 s ILE 74 N 1.27 3.69 0.39 3.14 1.01 -0.29 -0.70 121.20 129.72 2ob0 s ILE 74 Ca 0.07 0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.57 2ob0 s ILE 74 Cb -0.14 -3.48 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 2ob0 s ILE 74 CO 0.06 -0.53 1.48 0.42 0.00 0.00 0.00 174.94 176.37 2ob0 s THR 76 N -3.06 2.06 -0.21 2.92 -4.23 -0.98 -4.65 115.64 107.49 2ob0 s THR 76 Ca 0.54 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.06 2ob0 s THR 76 Cb -0.11 -3.04 0.10 0.00 1.34 0.00 0.00 72.50 70.80 2ob0 s THR 76 CO 0.47 0.01 0.41 -0.22 -0.54 0.00 0.00 174.62 174.75 2ob0 s LEU 77 N -2.19 -0.66 0.01 4.79 0.20 -1.26 -0.92 118.68 118.64 2ob0 s LEU 77 Ca 0.54 0.80 -0.29 0.00 0.69 0.00 0.00 54.13 55.87 2ob0 s LEU 77 Cb -0.46 1.31 0.10 0.00 -0.43 0.00 0.00 46.19 46.72 2ob0 s LEU 77 CO 0.62 -0.25 1.10 -0.83 -0.29 0.00 0.00 176.35 176.70 2ob0 s GLY 78 N 2.60 -0.35 0.12 7.98 0.00 -0.86 -5.02 107.32 111.80 2ob0 s GLY 78 Ca 0.02 0.74 -0.00 0.00 0.00 0.00 0.00 44.72 45.48 2ob0 s GLY 78 CO -0.14 0.20 0.02 0.00 0.00 0.00 0.00 173.10 173.19 2ob0 n LEU 80 N -0.07 3.87 -0.31 0.00 4.77 0.19 -4.90 117.00 120.55 2ob0 n LEU 80 Ca -0.08 1.16 0.08 0.00 -0.03 0.00 0.00 56.01 57.14 2ob0 n LEU 80 Cb 0.63 -1.50 0.24 0.00 -2.33 0.00 0.00 43.42 40.45 2ob0 n LEU 80 CO 0.31 -0.51 1.13 0.00 -1.33 0.00 0.00 177.39 176.99 2ob0 h ALA 81 N 2.37 1.35 0.00 -1.18 0.00 -1.97 -1.65 119.26 118.17 2ob0 h ALA 81 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ob0 h ALA 81 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ob0 h ALA 81 CO 0.61 -0.05 0.00 -2.30 0.00 0.00 0.00 179.25 177.52 2ob0 n PRO 82 N -4.83 0.07 -0.33 0.00 -0.02 -1.26 -2.42 135.00 126.22 2ob0 n PRO 82 Ca 0.18 0.29 0.10 0.00 -2.02 0.00 0.00 63.50 62.05 2ob0 n PRO 82 Cb 0.44 -1.63 0.28 0.00 -0.02 0.00 0.00 33.50 32.57 2ob0 n PRO 82 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ob0 n TYR 83 N -1.76 0.86 -1.92 6.00 4.01 -0.62 -5.00 117.16 118.72 2ob0 n TYR 83 Ca 0.03 -0.50 -0.32 0.00 -0.16 0.00 0.00 57.90 56.95 2ob0 n TYR 83 Cb 0.20 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 2ob0 n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2ob0 s ARG 84 N -1.03 3.27 -1.30 -0.72 0.52 -1.01 -3.74 118.95 114.93 2ob0 s ARG 84 Ca 0.42 1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 56.67 2ob0 s ARG 84 Cb 0.22 -2.03 0.01 0.00 0.52 0.00 0.00 34.95 33.67 2ob0 s ARG 84 CO 0.29 -0.84 0.61 0.54 0.02 0.00 0.00 175.30 175.91 2ob0 n ARG 85 N -2.36 -4.65 -0.00 3.54 1.74 -1.26 -4.89 116.66 108.78 2ob0 n ARG 85 Ca 0.08 0.77 0.01 0.00 -0.77 0.00 0.00 57.85 57.94 2ob0 n ARG 85 Cb 0.53 -5.37 0.01 0.00 -1.02 0.00 0.00 32.46 26.61 2ob0 n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ob0 n LEU 86 N -3.63 1.19 0.00 0.55 4.77 -1.24 -5.01 117.00 113.63 2ob0 n LEU 86 Ca -0.08 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 2ob0 n LEU 86 Cb 0.59 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2ob0 n LEU 86 CO 0.43 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2ob0 n GLY 87 N 0.13 0.81 0.16 -0.72 0.00 -1.26 -4.98 105.19 99.32 2ob0 n GLY 87 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2ob0 n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ob0 h ILE 88 N 0.00 1.29 -0.66 -0.61 2.04 -1.95 -1.10 117.51 116.53 2ob0 h ILE 88 Ca 0.00 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 64.77 2ob0 h ILE 88 Cb 0.00 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2ob0 h ILE 88 CO 0.00 0.35 0.39 1.23 0.00 0.00 0.00 178.15 180.12 2ob0 h GLY 89 N 0.20 0.96 1.01 5.37 0.00 -1.93 -2.28 103.07 106.38 2ob0 h GLY 89 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2ob0 h GLY 89 CO 0.03 0.20 0.43 -0.84 0.00 0.00 0.00 176.54 176.36 2ob0 h THR 90 N 0.73 1.21 0.00 4.70 2.02 -1.94 0.11 112.91 119.75 2ob0 h THR 90 Ca 0.28 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2ob0 h THR 90 Cb 0.11 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2ob0 h THR 90 CO -0.15 0.22 0.00 1.17 0.37 0.00 0.00 175.52 177.13 2ob0 n LYS 91 N -4.52 0.00 0.00 6.66 3.00 -0.43 -0.77 118.16 122.10 2ob0 n LYS 91 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2ob0 n LYS 91 Cb 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.14 2ob0 n LYS 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2ob0 n LEU 93 N 0.16 0.00 -0.07 3.14 7.94 0.40 -2.36 117.00 126.21 2ob0 n LEU 93 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 2ob0 n LEU 93 Cb 0.00 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.34 2ob0 n LEU 93 CO 0.00 0.00 1.19 0.78 -1.11 0.00 0.00 177.39 178.25 2ob0 h ASN 94 N 0.00 0.55 -0.29 1.96 -0.26 -1.19 -0.22 115.58 116.14 2ob0 h ASN 94 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2ob0 h ASN 94 Cb 0.00 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 2ob0 h ASN 94 CO 0.00 0.39 0.19 -0.74 -1.06 0.00 0.00 177.43 176.20 2ob0 h HIS 95 N 0.64 0.37 0.01 1.19 2.76 -1.72 0.97 115.15 119.37 2ob0 h HIS 95 Ca 0.20 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2ob0 h HIS 95 Cb 0.03 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 2ob0 h HIS 95 CO -0.00 0.24 -0.01 0.28 -1.30 0.00 0.00 177.93 177.14 2ob0 h VAL 96 N 0.39 0.97 -0.98 5.26 2.07 -1.72 -0.09 116.25 122.15 2ob0 h VAL 96 Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 2ob0 h VAL 96 Cb -0.03 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2ob0 h VAL 96 CO -0.02 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.13 2ob0 h LEU 97 N -0.03 1.02 -0.75 2.57 3.38 -0.95 -2.34 115.31 118.22 2ob0 h LEU 97 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2ob0 h LEU 97 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2ob0 h LEU 97 CO -0.00 0.66 -0.04 -1.13 0.09 0.00 0.00 178.44 178.01 2ob0 h ASN 98 N 1.16 0.89 -0.59 -0.43 -1.24 -0.35 0.50 115.58 115.52 2ob0 h ASN 98 Ca 0.42 -0.25 0.08 0.00 0.71 0.00 0.00 56.30 57.26 2ob0 h ASN 98 Cb 0.15 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 38.89 2ob0 h ASN 98 CO -0.16 0.98 0.23 0.40 -1.29 0.00 0.00 177.43 177.59 2ob0 h ILE 99 N 0.83 0.81 -0.33 2.57 5.03 -0.52 -1.32 117.51 124.58 2ob0 h ILE 99 Ca 0.15 -0.15 -0.16 0.00 -0.12 0.00 0.00 64.86 64.58 2ob0 h ILE 99 Cb 0.55 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 34.68 2ob0 h ILE 99 CO 0.03 0.08 -0.43 0.00 -0.68 0.00 0.00 178.15 177.14 2ob0 h GLU 101 N 0.68 0.92 0.00 0.00 4.57 -0.59 -0.14 114.58 120.02 2ob0 h GLU 101 Ca 0.04 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 2ob0 h GLU 101 Cb 1.02 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2ob0 h GLU 101 CO 0.10 0.76 -0.39 0.87 -1.18 0.00 0.00 179.01 179.16 2ob0 h LYS 102 N 0.86 0.00 0.00 1.92 1.57 -1.25 -3.26 116.57 116.42 2ob0 h LYS 102 Ca 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2ob0 h LYS 102 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2ob0 h LYS 102 CO -0.02 0.39 -0.00 0.22 -0.57 0.00 0.00 179.45 179.47 2ob0 h ASP 103 N 0.00 -0.01 0.00 0.86 3.58 -1.12 -3.48 116.42 116.25 2ob0 h ASP 103 Ca -0.00 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.63 2ob0 h ASP 103 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2ob0 h ASP 103 CO 0.05 0.89 0.00 0.61 -2.88 0.00 0.00 179.24 177.91 2ob0 n GLY 104 N 1.56 2.10 0.57 -0.78 0.00 -0.10 -4.88 105.19 103.67 2ob0 n GLY 104 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2ob0 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ob0 n THR 105 N -2.00 0.63 -2.99 2.61 -2.24 -1.26 -4.99 114.28 104.05 2ob0 n THR 105 Ca 0.00 -0.82 -0.40 0.00 -2.27 0.00 0.00 64.05 60.57 2ob0 n THR 105 Cb 0.00 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 2ob0 n THR 105 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2ob0 s PHE 106 N -0.97 3.84 0.05 4.78 0.08 -1.26 -4.68 117.98 119.81 2ob0 s PHE 106 Ca 0.19 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 58.79 2ob0 s PHE 106 Cb 0.11 -2.78 -0.27 0.00 -0.57 0.00 0.00 43.02 39.51 2ob0 s PHE 106 CO 0.15 0.42 1.04 -0.44 -0.10 0.00 0.00 175.22 176.29 2ob0 h ASP 107 N 4.89 0.35 -5.15 1.36 3.32 -0.68 -3.42 116.42 117.09 2ob0 h ASP 107 Ca -0.46 -0.42 0.13 0.00 0.02 0.00 0.00 57.03 56.30 2ob0 h ASP 107 Cb 1.21 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 2ob0 h ASP 107 CO 0.68 1.33 0.39 0.54 -1.72 0.00 0.00 179.24 180.46 2ob0 s ASN 108 N -7.00 -0.24 -0.06 6.45 2.20 -1.24 -1.52 114.94 113.52 2ob0 s ASN 108 Ca -0.05 -0.42 0.05 0.00 -0.94 0.00 0.00 52.86 51.50 2ob0 s ASN 108 Cb 0.07 0.57 -0.02 0.00 -2.00 0.00 0.00 41.25 39.88 2ob0 s ASN 108 CO 0.86 -1.03 -0.21 -0.63 -2.94 0.00 0.00 177.10 173.15 2ob0 s ILE 109 N -3.51 2.39 0.19 0.54 1.01 -0.48 -1.32 121.20 120.04 2ob0 s ILE 109 Ca 0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2ob0 s ILE 109 Cb -0.03 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2ob0 s ILE 109 CO 0.02 0.57 0.21 -0.72 0.00 0.00 0.00 174.94 175.02 2ob0 s TYR 110 N -0.25 0.84 0.19 3.97 -0.85 -0.28 -0.66 117.35 120.32 2ob0 s TYR 110 Ca -0.00 -1.14 -0.24 0.00 -0.52 0.00 0.00 57.07 55.17 2ob0 s TYR 110 Cb -0.13 -0.32 0.05 0.00 0.38 0.00 0.00 41.96 41.94 2ob0 s TYR 110 CO 0.03 -0.70 0.84 -0.48 -1.52 0.00 0.00 175.55 173.72 2ob0 s LEU 111 N -3.09 -0.25 -0.10 -3.49 2.34 -0.54 -1.13 118.68 112.42 2ob0 s LEU 111 Ca 0.30 -0.42 -0.03 0.00 0.06 0.00 0.00 54.13 54.05 2ob0 s LEU 111 Cb 0.05 2.38 -0.03 0.00 -0.56 0.00 0.00 46.19 48.03 2ob0 s LEU 111 CO 0.08 -1.05 0.01 -1.00 -1.06 0.00 0.00 176.35 173.33 2ob0 s HIS 112 N -3.53 3.17 -0.08 3.48 3.76 -1.26 -0.98 115.29 119.85 2ob0 s HIS 112 Ca 0.11 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 2ob0 s HIS 112 Cb -0.03 -1.83 0.02 0.00 1.11 0.00 0.00 32.58 31.85 2ob0 s HIS 112 CO 0.02 0.41 -0.07 0.08 -0.85 0.00 0.00 174.74 174.34 2ob0 s VAL 113 N -0.69 0.85 0.27 -0.90 1.01 -0.22 -4.97 120.40 115.76 2ob0 s VAL 113 Ca 0.11 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2ob0 s VAL 113 Cb -0.12 -0.87 -0.13 0.00 0.00 0.00 0.00 36.38 35.25 2ob0 s VAL 113 CO 0.02 0.32 1.25 1.67 0.00 0.00 0.00 175.10 178.36 2ob0 n GLN 114 N 4.61 1.80 0.30 2.72 7.27 -1.26 -0.27 117.38 132.54 2ob0 n GLN 114 Ca -0.16 0.63 0.18 0.00 0.07 0.00 0.00 57.00 57.73 2ob0 n GLN 114 Cb 0.50 -2.18 0.92 0.00 2.41 0.00 0.00 30.24 31.89 2ob0 n GLN 114 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 2ob0 h ILE 115 N 2.60 0.21 0.00 1.69 3.07 -1.65 -0.80 117.51 122.64 2ob0 h ILE 115 Ca -0.44 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2ob0 h ILE 115 Cb 1.30 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2ob0 h ILE 115 CO 0.68 0.04 0.00 -1.54 -1.05 0.00 0.00 178.15 176.27 2ob0 n SER 116 N -3.31 0.00 -4.27 2.16 3.41 -1.26 -4.69 113.62 105.66 2ob0 n SER 116 Ca -0.02 0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 58.50 2ob0 n SER 116 Cb 0.18 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2ob0 n SER 116 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ob0 n ASN 117 N -1.44 5.01 -0.23 4.04 2.85 -0.31 -4.82 115.26 120.36 2ob0 n ASN 117 Ca 0.08 -2.99 -0.01 0.00 -0.11 0.00 0.00 54.58 51.55 2ob0 n ASN 117 Cb 0.27 -1.59 0.21 0.00 1.24 0.00 0.00 39.78 39.91 2ob0 n ASN 117 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2ob0 h GLU 118 N 6.77 1.03 -0.50 1.20 5.08 -1.87 -2.06 114.58 124.23 2ob0 h GLU 118 Ca 0.39 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2ob0 h GLU 118 Cb 0.79 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2ob0 h GLU 118 CO 1.44 0.72 0.31 0.77 -1.00 0.00 0.00 179.01 181.25 2ob0 h SER 119 N 1.05 0.51 0.39 1.42 0.02 -1.99 -1.71 113.55 113.23 2ob0 h SER 119 Ca 0.27 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.01 2ob0 h SER 119 Cb -0.04 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 2ob0 h SER 119 CO -0.05 0.36 -0.90 0.00 -1.14 0.00 0.00 176.83 175.10 2ob0 h ALA 120 N 1.21 0.44 -0.16 3.77 0.00 -1.89 -0.85 119.26 121.78 2ob0 h ALA 120 Ca 0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2ob0 h ALA 120 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ob0 h ALA 120 CO -0.08 0.83 0.05 0.82 0.00 0.00 0.00 179.25 180.88 2ob0 h ILE 121 N 0.20 1.18 -0.72 0.00 2.04 -1.24 -0.75 117.51 118.21 2ob0 h ILE 121 Ca -0.06 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.30 2ob0 h ILE 121 Cb 1.52 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.79 2ob0 h ILE 121 CO 0.15 0.17 0.42 0.44 0.00 0.00 0.00 178.15 179.33 2ob0 h ASP 122 N 0.08 0.64 0.40 1.72 3.32 -1.26 -1.19 116.42 120.13 2ob0 h ASP 122 Ca 0.05 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2ob0 h ASP 122 Cb 0.22 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2ob0 h ASP 122 CO -0.00 0.41 -0.19 0.15 -1.72 0.00 0.00 179.24 177.88 2ob0 h PHE 123 N 0.77 -0.50 -0.45 4.55 3.57 -0.78 -2.31 116.94 121.78 2ob0 h PHE 123 Ca 0.32 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 2ob0 h PHE 123 Cb 0.18 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2ob0 h PHE 123 CO -0.06 -0.25 -0.17 1.88 -2.23 0.00 0.00 178.31 177.48 2ob0 h TYR 124 N -0.66 0.99 -0.14 0.41 0.05 -1.02 -2.51 116.97 114.08 2ob0 h TYR 124 Ca -0.06 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.49 2ob0 h TYR 124 Cb 0.48 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2ob0 h TYR 124 CO -0.02 0.97 -0.04 0.00 -1.05 0.00 0.00 178.16 178.03 2ob0 h ARG 125 N 0.77 0.20 -0.13 4.88 3.08 -1.23 -1.25 114.38 120.70 2ob0 h ARG 125 Ca 0.11 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2ob0 h ARG 125 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2ob0 h ARG 125 CO 0.05 0.25 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.93 2ob0 h LYS 126 N 0.20 0.19 -0.40 0.04 3.64 -0.95 -2.16 116.57 117.13 2ob0 h LYS 126 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ob0 h LYS 126 Cb 0.20 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2ob0 h LYS 126 CO 0.01 0.26 0.00 1.19 -2.27 0.00 0.00 179.45 178.64 2ob0 n PHE 127 N -4.36 0.53 -0.43 1.91 3.72 -0.54 -4.92 117.46 113.38 2ob0 n PHE 127 Ca -0.01 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 2ob0 n PHE 127 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2ob0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ob0 n GLY 128 N 1.24 0.76 3.76 1.37 0.00 -0.81 -5.05 105.19 106.47 2ob0 n GLY 128 Ca 0.16 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2ob0 n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ob0 s PHE 129 N -2.00 3.53 0.03 1.61 0.08 -0.81 -4.61 117.98 115.80 2ob0 s PHE 129 Ca 0.00 1.70 0.06 0.00 0.12 0.00 0.00 56.93 58.81 2ob0 s PHE 129 Cb 0.00 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 2ob0 s PHE 129 CO 0.00 -0.51 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.24 2ob0 s GLU 130 N -1.68 2.18 -0.28 0.44 2.02 0.54 -4.19 118.70 117.73 2ob0 s GLU 130 Ca 0.47 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 2ob0 s GLU 130 Cb -0.29 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 2ob0 s GLU 130 CO 0.37 0.56 1.40 0.42 0.02 0.00 0.00 175.26 178.03 2ob0 s ILE 131 N -0.91 4.00 -0.35 -1.63 1.01 -1.26 -0.79 121.20 121.28 2ob0 s ILE 131 Ca 0.15 1.13 0.14 0.00 0.00 0.00 0.00 60.65 62.06 2ob0 s ILE 131 Cb -0.11 -4.03 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 2ob0 s ILE 131 CO 0.05 -0.44 0.44 2.30 0.00 0.00 0.00 174.94 177.30 2ob0 n ILE 132 N 6.31 0.00 -3.56 2.92 -5.35 -0.43 -5.00 119.36 114.24 2ob0 n ILE 132 Ca 0.16 -0.25 -0.07 0.00 -0.27 0.00 0.00 62.75 62.32 2ob0 n ILE 132 Cb 0.46 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.97 2ob0 n ILE 132 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2ob0 s GLU 133 N -2.58 0.88 -0.19 6.28 -1.05 -1.25 -5.01 118.70 115.77 2ob0 s GLU 133 Ca 0.00 -0.37 0.01 0.00 -0.15 0.00 0.00 54.97 54.46 2ob0 s GLU 133 Cb 0.09 0.37 0.03 0.00 -0.44 0.00 0.00 34.13 34.19 2ob0 s GLU 133 CO 0.56 -0.39 -0.15 0.99 0.95 0.00 0.00 175.26 177.22 2ob0 s THR 134 N -3.13 1.87 -0.26 1.83 2.01 -1.26 -0.77 115.64 115.94 2ob0 s THR 134 Ca 0.07 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.86 2ob0 s THR 134 Cb -0.01 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 2ob0 s THR 134 CO -0.06 0.33 0.60 -0.75 -0.69 0.00 0.00 174.62 174.05 2ob0 s LYS 135 N 1.32 4.10 0.18 4.92 2.47 0.10 -4.93 119.74 127.90 2ob0 s LYS 135 Ca 0.01 0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.61 2ob0 s LYS 135 Cb -0.15 -3.65 -0.07 0.00 -1.46 0.00 0.00 37.83 32.50 2ob0 s LYS 135 CO -0.10 -0.40 1.02 0.15 0.16 0.00 0.00 175.35 176.18 2ob0 s LYS 136 N 2.45 4.69 -1.37 4.03 1.02 -1.26 -1.61 119.74 127.69 2ob0 s LYS 136 Ca 0.25 1.59 -0.06 0.00 0.02 0.00 0.00 55.97 57.77 2ob0 s LYS 136 Cb -0.16 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2ob0 s LYS 136 CO 0.09 0.23 0.92 0.09 -0.92 0.00 0.00 175.35 175.75 2ob0 n ASN 137 N 2.22 -3.31 -0.12 2.83 3.02 -1.24 -4.91 115.26 113.76 2ob0 n ASN 137 Ca 0.01 -0.73 -0.13 0.00 -0.03 0.00 0.00 54.58 53.70 2ob0 n ASN 137 Cb 0.47 -4.33 -0.03 0.00 -0.61 0.00 0.00 39.78 35.28 2ob0 n ASN 137 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2ob0 h TYR 138 N -2.09 1.05 -3.15 3.10 3.20 -0.93 -3.43 116.97 114.72 2ob0 h TYR 138 Ca -0.59 -0.31 -0.59 0.00 3.14 0.00 0.00 58.73 60.38 2ob0 h TYR 138 Cb 1.36 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 2ob0 h TYR 138 CO 0.50 1.11 -0.16 0.71 -1.64 0.00 0.00 178.16 178.68 2ob0 s TYR 139 N -4.42 3.66 -0.13 -3.82 2.02 -0.27 -5.00 117.35 109.38 2ob0 s TYR 139 Ca -0.11 0.99 0.19 0.00 -0.37 0.00 0.00 57.07 57.77 2ob0 s TYR 139 Cb 0.10 -2.30 -0.28 0.00 -0.40 0.00 0.00 41.96 39.08 2ob0 s TYR 139 CO 0.87 0.54 0.23 1.63 -1.57 0.00 0.00 175.55 177.25 2ob0 n LYS 140 N 1.27 0.68 -0.11 -0.62 5.02 -1.26 -4.68 118.16 118.46 2ob0 n LYS 140 Ca -0.09 -0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 55.90 2ob0 n LYS 140 Cb 0.52 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 2ob0 n LYS 140 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ob0 n ARG 141 N -2.56 0.52 -3.29 1.97 1.74 -1.26 -5.06 116.66 108.72 2ob0 n ARG 141 Ca -0.22 0.18 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 2ob0 n ARG 141 Cb 0.93 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 2ob0 n ARG 141 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2ob0 s ILE 142 N -2.43 5.05 0.00 0.55 -4.36 -1.26 -5.07 121.20 113.67 2ob0 s ILE 142 Ca -0.31 -0.13 0.08 0.00 -0.26 0.00 0.00 60.65 60.02 2ob0 s ILE 142 Cb 0.11 -3.80 -0.02 0.00 1.25 0.00 0.00 42.46 40.00 2ob0 s ILE 142 CO 0.45 -0.46 -0.26 -1.61 0.24 0.00 0.00 174.94 173.30 2ob0 s GLU 143 N -3.95 2.02 0.44 0.37 2.02 -1.26 -3.41 118.70 114.92 2ob0 s GLU 143 Ca 0.43 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 54.19 2ob0 s GLU 143 Cb -0.10 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 2ob0 s GLU 143 CO 0.34 0.55 1.24 -1.25 0.02 0.00 0.00 175.26 176.16 2ob0 s PRO 144 N -0.82 3.82 0.23 0.39 0.04 -1.26 -5.06 135.00 132.35 2ob0 s PRO 144 Ca 0.11 1.99 0.25 0.00 0.04 0.00 0.00 61.00 63.40 2ob0 s PRO 144 Cb -0.10 -2.58 0.86 0.00 0.04 0.00 0.00 34.50 32.72 2ob0 s PRO 144 CO 0.00 -0.56 1.76 0.00 0.04 0.00 0.00 177.00 178.24 2ob0 n ALA 145 N -0.20 2.09 -2.09 8.56 0.00 -1.22 -4.74 120.51 122.91 2ob0 n ALA 145 Ca 0.06 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 2ob0 n ALA 145 Cb 0.46 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 2ob0 n ALA 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ob0 s ASP 146 N -4.49 6.84 -0.02 0.00 1.01 -1.26 -0.53 116.67 118.22 2ob0 s ASP 146 Ca 0.09 1.36 0.03 0.00 0.71 0.00 0.00 52.55 54.73 2ob0 s ASP 146 Cb 0.11 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.64 2ob0 s ASP 146 CO 0.54 -0.19 -0.09 0.00 0.21 0.00 0.00 175.17 175.64 2ob0 s ALA 147 N -1.94 0.79 0.39 5.23 0.00 -0.63 -1.82 121.76 123.79 2ob0 s ALA 147 Ca 0.54 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.91 2ob0 s ALA 147 Cb -0.11 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 2ob0 s ALA 147 CO 0.17 0.15 1.04 -1.01 0.00 0.00 0.00 175.76 176.12 2ob0 s HIS 148 N 0.04 3.29 -0.25 0.00 3.76 0.63 0.01 115.29 122.78 2ob0 s HIS 148 Ca -0.01 1.65 -0.16 0.00 -0.15 0.00 0.00 55.06 56.39 2ob0 s HIS 148 Cb -0.06 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 2ob0 s HIS 148 CO 0.00 -0.58 0.44 0.08 -0.85 0.00 0.00 174.74 173.82 2ob0 s VAL 149 N -1.66 5.14 -0.20 -0.90 1.01 0.05 -1.06 120.40 122.78 2ob0 s VAL 149 Ca 0.57 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.22 2ob0 s VAL 149 Cb -0.22 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2ob0 s VAL 149 CO 0.27 0.15 0.05 -0.76 0.00 0.00 0.00 175.10 174.82 2ob0 s LEU 150 N 1.97 3.61 -0.01 3.92 1.02 -0.15 -1.32 118.68 127.72 2ob0 s LEU 150 Ca 0.19 -0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.32 2ob0 s LEU 150 Cb -0.15 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.13 2ob0 s LEU 150 CO 0.09 0.10 -0.10 -1.58 0.02 0.00 0.00 176.35 174.89 2ob0 s GLN 151 N 0.79 0.86 -0.21 1.70 0.74 0.03 -1.47 119.66 122.11 2ob0 s GLN 151 Ca 0.03 -0.34 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 2ob0 s GLN 151 Cb -0.14 -0.83 -0.01 0.00 1.10 0.00 0.00 33.01 33.14 2ob0 s GLN 151 CO 0.02 0.18 -0.06 0.21 -0.55 0.00 0.00 175.29 175.10 2ob0 s LYS 152 N -0.10 3.36 0.31 1.67 2.20 0.17 -0.34 119.74 127.00 2ob0 s LYS 152 Ca 0.02 -0.64 -0.28 0.00 -0.36 0.00 0.00 55.97 54.71 2ob0 s LYS 152 Cb -0.05 -2.96 -0.09 0.00 -1.51 0.00 0.00 37.83 33.22 2ob0 s LYS 152 CO -0.00 -0.17 1.02 -0.80 -0.36 0.00 0.00 175.35 175.04 2ob0 s ASN 153 N 1.38 7.26 -0.00 1.43 0.01 -1.26 -1.38 114.94 122.38 2ob0 s ASN 153 Ca 0.05 2.05 0.07 0.00 -0.71 0.00 0.00 52.86 54.31 2ob0 s ASN 153 Cb -0.14 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.83 2ob0 s ASN 153 CO -0.03 -0.13 0.26 0.18 -1.51 0.00 0.00 177.10 175.87 2ob0 n LEU 154 N 0.85 0.24 0.00 0.60 4.77 -0.58 -4.96 117.00 117.92 2ob0 n LEU 154 Ca 0.01 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2ob0 n LEU 154 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2ob0 n LEU 154 CO 0.49 0.06 0.16 0.29 -1.33 0.00 0.00 177.39 177.06