#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozb s VAL 17 N 0.00 0.12 -0.29 -1.45 1.01 0.30 -4.97 120.40 115.12 1ozb s VAL 17 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1ozb s VAL 17 Cb 0.00 -0.57 0.19 0.00 0.00 0.00 0.00 36.38 36.00 1ozb s VAL 17 CO 0.00 -0.56 0.55 -0.22 0.00 0.00 0.00 175.10 174.87 1ozb s LEU 18 N -1.76 -1.44 0.05 3.92 2.96 -1.23 -2.25 118.68 118.92 1ozb s LEU 18 Ca -0.11 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1ozb s LEU 18 Cb -0.06 1.82 -0.03 0.00 0.50 0.00 0.00 46.19 48.43 1ozb s LEU 18 CO -0.02 -0.31 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.41 1ozb s GLN 19 N 2.74 1.24 -0.31 1.98 -1.52 -0.28 -4.97 119.66 118.55 1ozb s GLN 19 Ca 0.10 -0.92 -0.17 0.00 -1.95 0.00 0.00 55.36 52.42 1ozb s GLN 19 Cb -0.10 -1.35 -0.02 0.00 -0.22 0.00 0.00 33.01 31.32 1ozb s GLN 19 CO -0.26 0.34 0.49 0.42 -0.25 0.00 0.00 175.29 176.02 1ozb s ILE 20 N -0.85 5.06 -0.13 1.08 1.01 -1.26 -0.33 121.20 125.77 1ozb s ILE 20 Ca 0.06 0.52 -0.14 0.00 0.00 0.00 0.00 60.65 61.09 1ozb s ILE 20 Cb -0.09 -3.88 -0.25 0.00 0.01 0.00 0.00 42.46 38.26 1ozb s ILE 20 CO 0.02 -0.07 0.40 1.56 0.00 0.00 0.00 174.94 176.85 1ozb h GLN 21 N 8.29 0.20 -1.91 2.79 1.08 -0.94 -3.48 115.11 121.13 1ozb h GLN 21 Ca -0.29 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 56.55 1ozb h GLN 21 Cb 1.14 0.13 -0.21 0.00 -0.05 0.00 0.00 27.48 28.48 1ozb h GLN 21 CO 0.73 1.16 0.22 0.50 -0.95 0.00 0.00 178.83 180.50 1ozb s ARG 22 N -2.48 0.83 -0.12 1.46 3.52 -1.07 -4.96 118.95 116.13 1ozb s ARG 22 Ca -0.23 0.68 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1ozb s ARG 22 Cb 0.06 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 1ozb s ARG 22 CO 0.73 -0.16 -0.15 0.42 -0.81 0.00 0.00 175.30 175.32 1ozb s ILE 23 N -0.17 1.54 0.22 4.11 1.01 -1.26 -0.08 121.20 126.56 1ozb s ILE 23 Ca -0.03 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1ozb s ILE 23 Cb -0.03 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.03 1ozb s ILE 23 CO 0.02 0.45 0.50 -0.72 0.00 0.00 0.00 174.94 175.19 1ozb s TYR 24 N 1.10 0.15 -0.13 3.97 -0.85 -0.56 -4.99 117.35 116.03 1ozb s TYR 24 Ca -0.04 -0.51 -0.06 0.00 -0.52 0.00 0.00 57.07 55.94 1ozb s TYR 24 Cb -0.14 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 1ozb s TYR 24 CO -0.04 -0.96 0.06 0.14 -1.52 0.00 0.00 175.55 173.23 1ozb s VAL 25 N -3.95 4.84 -0.15 -3.49 -7.23 -1.26 -0.75 120.40 108.40 1ozb s VAL 25 Ca 0.16 -0.03 0.14 0.00 -1.81 0.00 0.00 61.98 60.44 1ozb s VAL 25 Cb -0.01 -3.12 -0.24 0.00 0.56 0.00 0.00 36.38 33.58 1ozb s VAL 25 CO 0.04 0.55 0.24 0.29 -0.31 0.00 0.00 175.10 175.91 1ozb n LYS 26 N 2.67 0.67 -3.70 4.82 5.02 -0.53 -4.96 118.16 122.14 1ozb n LYS 26 Ca -0.18 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 1ozb n LYS 26 Cb 0.53 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 1ozb n LYS 26 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ozb s ASP 27 N -5.82 -0.52 -0.03 4.39 -1.08 -1.23 -5.02 116.67 107.37 1ozb s ASP 27 Ca -0.11 0.99 -0.03 0.00 -0.52 0.00 0.00 52.55 52.88 1ozb s ASP 27 Cb 0.07 0.99 0.01 0.00 -1.46 0.00 0.00 42.92 42.52 1ozb s ASP 27 CO 0.81 -0.17 0.09 -0.69 0.52 0.00 0.00 175.17 175.73 1ozb s VAL 28 N 0.39 0.01 -0.11 1.11 1.01 -1.26 -0.70 120.40 120.86 1ozb s VAL 28 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1ozb s VAL 28 Cb -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.21 1ozb s VAL 28 CO -0.01 -0.07 0.26 -0.44 0.00 0.00 0.00 175.10 174.85 1ozb s SER 29 N -0.17 -0.29 -0.03 3.32 0.01 -0.12 -5.01 113.70 111.41 1ozb s SER 29 Ca -0.02 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1ozb s SER 29 Cb -0.02 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.69 1ozb s SER 29 CO 0.00 -0.16 -0.01 0.12 0.41 0.00 0.00 173.24 173.60 1ozb s PHE 30 N 1.20 0.41 -0.02 2.43 5.36 -1.26 -0.71 117.98 125.39 1ozb s PHE 30 Ca -0.09 -0.04 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 1ozb s PHE 30 Cb -0.10 -0.48 0.01 0.00 -0.34 0.00 0.00 43.02 42.12 1ozb s PHE 30 CO -0.08 -0.15 -0.04 -1.21 -1.46 0.00 0.00 175.22 172.28 1ozb s GLU 31 N 1.06 0.51 -0.51 10.12 2.02 0.10 -4.99 118.70 127.01 1ozb s GLU 31 Ca -0.09 -0.11 0.05 0.00 0.02 0.00 0.00 54.97 54.84 1ozb s GLU 31 Cb -0.14 -0.54 0.19 0.00 0.10 0.00 0.00 34.13 33.74 1ozb s GLU 31 CO -0.01 0.01 0.45 0.00 0.02 0.00 0.00 175.26 175.72 1ozb n ALA 32 N 3.49 3.07 -0.11 5.21 0.00 -1.26 -0.72 120.51 130.19 1ozb n ALA 32 Ca -0.19 -3.70 -0.05 0.00 0.00 0.00 0.00 53.44 49.49 1ozb n ALA 32 Cb 0.54 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 19.15 1ozb n ALA 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ozb h PRO 33 N 5.20 0.03 -1.63 0.00 0.11 -1.84 -3.28 132.00 130.59 1ozb h PRO 33 Ca 0.20 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.78 1ozb h PRO 33 Cb 0.84 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 31.74 1ozb h PRO 33 CO 0.52 0.02 0.62 0.09 -0.21 0.00 0.00 178.00 179.05 1ozb n ASN 34 N -5.26 6.93 -4.82 -2.05 3.02 -1.26 -4.94 115.26 106.89 1ozb n ASN 34 Ca 0.02 -3.40 -0.32 0.00 -0.03 0.00 0.00 54.58 50.85 1ozb n ASN 34 Cb 0.20 -1.10 -0.06 0.00 -0.61 0.00 0.00 39.78 38.21 1ozb n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ozb s LEU 35 N -2.77 4.00 0.00 3.41 1.43 -1.24 -0.96 118.68 122.55 1ozb s LEU 35 Ca 0.51 0.14 0.25 0.00 -1.03 0.00 0.00 54.13 54.00 1ozb s LEU 35 Cb 0.38 -2.50 0.58 0.00 0.03 0.00 0.00 46.19 44.67 1ozb s LEU 35 CO -0.14 0.22 1.46 -0.81 0.23 0.00 0.00 176.35 177.30 1ozb n PRO 36 N 0.75 0.23 -0.08 1.29 -0.04 -1.26 -4.92 135.00 130.97 1ozb n PRO 36 Ca -0.10 -0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1ozb n PRO 36 Cb 0.52 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.02 1ozb n PRO 36 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1ozb h HIS 37 N 0.33 0.36 -0.15 0.54 2.07 -1.99 -1.47 115.15 114.83 1ozb h HIS 37 Ca 0.00 0.01 0.04 0.00 -2.85 0.00 0.00 60.37 57.57 1ozb h HIS 37 Cb 0.50 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.36 1ozb h HIS 37 CO 0.00 0.16 0.22 0.97 -3.07 0.00 0.00 177.93 176.21 1ozb h ILE 38 N 0.32 0.33 0.00 6.12 6.09 -1.41 0.12 117.51 129.08 1ozb h ILE 38 Ca 0.29 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.78 1ozb h ILE 38 Cb 0.70 0.81 0.00 0.00 0.47 0.00 0.00 36.82 38.81 1ozb h ILE 38 CO -0.07 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.50 1ozb n PHE 39 N -3.56 0.11 0.88 2.19 0.99 -0.55 -2.13 117.46 115.38 1ozb n PHE 39 Ca 0.01 0.05 0.11 0.00 -0.00 0.00 0.00 57.45 57.62 1ozb n PHE 39 Cb 0.33 -0.58 0.05 0.00 -1.00 0.00 0.00 39.48 38.29 1ozb n PHE 39 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ozb n GLN 40 N -1.60 0.08 -1.88 -1.08 6.02 0.41 -4.93 117.38 114.40 1ozb n GLN 40 Ca 0.02 -0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.71 1ozb n GLN 40 Cb 0.11 -1.52 0.05 0.00 1.02 0.00 0.00 30.24 29.90 1ozb n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ozb s GLN 41 N -3.06 2.83 0.02 -1.09 -0.21 -0.91 -5.00 119.66 112.25 1ozb s GLN 41 Ca 0.08 0.45 -0.30 0.00 0.02 0.00 0.00 55.36 55.61 1ozb s GLN 41 Cb 0.16 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 1ozb s GLN 41 CO 0.79 -1.06 1.09 -1.21 -2.12 0.00 0.00 175.29 172.79 1ozb s GLU 42 N -5.37 4.48 -1.13 2.91 2.02 -1.26 -4.91 118.70 115.45 1ozb s GLU 42 Ca 0.58 1.60 -0.23 0.00 0.02 0.00 0.00 54.97 56.94 1ozb s GLU 42 Cb -0.11 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.64 1ozb s GLU 42 CO 0.52 -0.18 1.91 -0.46 0.02 0.00 0.00 175.26 177.07 1ozb s TRP 43 N 1.13 2.01 -0.70 1.61 -0.11 -1.26 -4.79 118.94 116.82 1ozb s TRP 43 Ca 0.55 0.28 0.05 0.00 1.22 0.00 0.00 56.10 58.20 1ozb s TRP 43 Cb -0.25 -4.09 0.17 0.00 -1.50 0.00 0.00 33.47 27.79 1ozb s TRP 43 CO 0.28 -1.39 0.49 0.15 -4.62 0.00 0.00 176.95 171.86 1ozb s LYS 44 N 6.35 2.48 0.29 5.86 1.02 -1.26 -5.09 119.74 129.39 1ozb s LYS 44 Ca 0.67 -3.30 -0.29 0.00 0.02 0.00 0.00 55.97 53.07 1ozb s LYS 44 Cb -0.02 -3.45 -0.10 0.00 -0.52 0.00 0.00 37.83 33.75 1ozb s LYS 44 CO 0.09 -1.27 1.32 -1.25 -0.92 0.00 0.00 175.35 173.32 1ozb s PRO 45 N -1.38 4.36 -0.26 -1.68 0.04 -1.26 -1.04 135.00 133.78 1ozb s PRO 45 Ca 0.24 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.49 1ozb s PRO 45 Cb -0.06 -3.10 0.07 0.00 0.04 0.00 0.00 34.50 31.45 1ozb s PRO 45 CO -0.15 -0.22 -0.04 0.15 0.04 0.00 0.00 177.00 176.78 1ozb s LYS 46 N -1.28 1.72 -0.14 4.56 -0.14 0.16 -4.86 119.74 119.75 1ozb s LYS 46 Ca 0.52 -1.23 -0.15 0.00 -1.36 0.00 0.00 55.97 53.74 1ozb s LYS 46 Cb -0.39 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1ozb s LYS 46 CO 0.48 -0.67 0.35 -1.17 -0.76 0.00 0.00 175.35 173.59 1ozb s LEU 47 N 1.25 4.26 -0.19 3.17 2.96 -1.26 -1.51 118.68 127.36 1ozb s LEU 47 Ca -0.03 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1ozb s LEU 47 Cb -0.19 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1ozb s LEU 47 CO -0.07 0.07 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.16 1ozb s GLY 48 N 0.48 1.66 -0.13 7.98 0.00 0.24 -4.97 107.32 112.58 1ozb s GLY 48 Ca 0.20 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 1ozb s GLY 48 CO 0.06 0.18 -0.08 -0.12 0.00 0.00 0.00 173.10 173.14 1ozb s PHE 49 N 0.94 1.61 -0.01 1.90 5.36 -1.26 -0.38 117.98 126.13 1ozb s PHE 49 Ca -0.00 -0.87 0.06 0.00 -0.96 0.00 0.00 56.93 55.17 1ozb s PHE 49 Cb -0.15 -1.29 -0.02 0.00 -0.34 0.00 0.00 43.02 41.22 1ozb s PHE 49 CO 0.01 -0.55 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.50 1ozb s ASP 50 N 1.67 3.54 0.01 6.13 -0.00 0.12 -4.98 116.67 123.16 1ozb s ASP 50 Ca 0.04 -0.37 -0.04 0.00 -0.00 0.00 0.00 52.55 52.18 1ozb s ASP 50 Cb -0.13 -0.56 -0.01 0.00 -0.00 0.00 0.00 42.92 42.22 1ozb s ASP 50 CO -0.08 0.31 0.06 -0.22 -0.00 0.00 0.00 175.17 175.24 1ozb s LEU 51 N -0.85 1.87 -0.08 1.23 0.20 -1.26 0.01 118.68 119.80 1ozb s LEU 51 Ca 0.11 -0.35 -0.31 0.00 0.69 0.00 0.00 54.13 54.28 1ozb s LEU 51 Cb -0.10 0.42 0.12 0.00 -0.43 0.00 0.00 46.19 46.19 1ozb s LEU 51 CO 0.01 -0.35 1.00 -0.94 -0.29 0.00 0.00 176.35 175.78 1ozb s SER 52 N -1.45 -0.30 0.15 3.68 1.04 -0.62 -5.01 113.70 111.20 1ozb s SER 52 Ca -0.15 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.34 1ozb s SER 52 Cb -0.08 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1ozb s SER 52 CO 0.00 -0.48 -0.04 0.42 0.98 0.00 0.00 173.24 174.13 1ozb s THR 53 N -2.72 0.78 -0.12 2.02 -4.23 -1.26 0.28 115.64 110.38 1ozb s THR 53 Ca 0.06 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.36 1ozb s THR 53 Cb -0.01 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.94 1ozb s THR 53 CO -0.07 -0.64 0.55 -1.83 -0.54 0.00 0.00 174.62 172.09 1ozb s GLU 54 N -3.86 0.78 0.19 3.99 -1.05 -0.76 -5.00 118.70 113.00 1ozb s GLU 54 Ca 0.19 0.43 0.10 0.00 -0.15 0.00 0.00 54.97 55.54 1ozb s GLU 54 Cb 0.05 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 1ozb s GLU 54 CO 0.01 -0.18 -0.21 0.99 0.95 0.00 0.00 175.26 176.82 1ozb s THR 55 N -0.48 2.12 -0.14 1.83 2.01 -1.26 -0.69 115.64 119.02 1ozb s THR 55 Ca -0.06 -2.02 -0.06 0.00 0.31 0.00 0.00 61.69 59.85 1ozb s THR 55 Cb -0.03 -2.02 0.06 0.00 0.01 0.00 0.00 72.50 70.52 1ozb s THR 55 CO 0.04 -0.24 0.31 -0.89 -0.69 0.00 0.00 174.62 173.16 1ozb s THR 56 N -1.95 -0.18 -0.03 -0.82 2.01 -0.74 -4.99 115.64 108.95 1ozb s THR 56 Ca 0.19 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1ozb s THR 56 Cb -0.07 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1ozb s THR 56 CO 0.09 0.07 1.17 -1.58 -0.69 0.00 0.00 174.62 173.68 1ozb s GLN 57 N 1.70 4.39 0.00 4.92 0.74 -1.26 -0.11 119.66 130.03 1ozb s GLN 57 Ca -0.06 1.66 0.07 0.00 0.05 0.00 0.00 55.36 57.08 1ozb s GLN 57 Cb -0.10 -3.50 0.11 0.00 1.10 0.00 0.00 33.01 30.61 1ozb s GLN 57 CO -0.10 -0.37 0.90 1.55 -0.55 0.00 0.00 175.29 176.72 1ozb n VAL 58 N 4.41 0.38 -3.26 1.34 3.14 0.79 -4.91 118.33 120.23 1ozb n VAL 58 Ca 0.10 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1ozb n VAL 58 Cb 0.47 0.90 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 1ozb n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ozb n GLY 59 N 0.31 -1.04 3.61 7.55 0.00 -1.02 -4.95 105.19 109.66 1ozb n GLY 59 Ca 0.05 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1ozb n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozb s ASP 60 N -4.00 6.51 -0.68 1.61 1.01 -1.26 -2.90 116.67 116.96 1ozb s ASP 60 Ca 0.00 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.25 1ozb s ASP 60 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1ozb s ASP 60 CO 0.00 -1.25 0.00 0.47 0.21 0.00 0.00 175.17 174.60 1ozb n ASP 61 N 8.19 -4.89 -4.26 0.27 10.43 -1.26 -4.96 116.55 120.06 1ozb n ASP 61 Ca 0.15 0.16 -0.35 0.00 2.57 0.00 0.00 54.79 57.33 1ozb n ASP 61 Cb 0.47 -2.95 -0.14 0.00 1.84 0.00 0.00 41.12 40.34 1ozb n ASP 61 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ozb s LEU 62 N -1.45 2.71 -0.00 0.64 1.43 -1.14 -0.61 118.68 120.25 1ozb s LEU 62 Ca 0.00 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1ozb s LEU 62 Cb 0.00 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1ozb s LEU 62 CO 0.00 -0.02 -0.18 -0.31 0.23 0.00 0.00 176.35 176.08 1ozb s TYR 63 N 1.43 1.58 -0.34 0.29 1.51 -0.11 -0.15 117.35 121.57 1ozb s TYR 63 Ca 0.06 -0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 55.69 1ozb s TYR 63 Cb -0.14 -1.00 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1ozb s TYR 63 CO -0.06 -0.01 0.21 -2.00 -1.11 0.00 0.00 175.55 172.58 1ozb s GLU 64 N -0.55 3.32 -0.19 -0.62 2.12 0.84 -0.32 118.70 123.30 1ozb s GLU 64 Ca 0.07 -0.75 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 1ozb s GLU 64 Cb -0.07 -3.72 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 1ozb s GLU 64 CO -0.00 -0.48 0.10 0.08 -0.54 0.00 0.00 175.26 174.41 1ozb s VAL 65 N 1.66 5.15 -0.16 3.70 1.01 0.18 -1.79 120.40 130.15 1ozb s VAL 65 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1ozb s VAL 65 Cb -0.18 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ozb s VAL 65 CO 0.08 0.46 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 1ozb s VAL 66 N 0.31 2.71 -0.26 2.92 1.01 0.13 -1.60 120.40 125.62 1ozb s VAL 66 Ca 0.06 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1ozb s VAL 66 Cb -0.12 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1ozb s VAL 66 CO -0.01 0.51 0.11 -0.22 0.00 0.00 0.00 175.10 175.49 1ozb s LEU 67 N 0.82 3.65 -0.25 3.92 2.96 0.27 -1.82 118.68 128.22 1ozb s LEU 67 Ca -0.05 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1ozb s LEU 67 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1ozb s LEU 67 CO -0.00 -0.03 0.10 0.20 -1.32 0.00 0.00 176.35 175.30 1ozb s ASN 68 N 1.62 5.46 -0.11 3.68 0.01 0.14 -0.89 114.94 124.85 1ozb s ASN 68 Ca 0.06 -0.11 0.03 0.00 -0.71 0.00 0.00 52.86 52.13 1ozb s ASN 68 Cb -0.15 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.53 1ozb s ASN 68 CO 0.06 -0.01 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.82 1ozb s ILE 69 N 1.49 1.77 -0.08 0.60 -1.09 0.02 -1.58 121.20 122.33 1ozb s ILE 69 Ca 0.06 -0.82 0.04 0.00 -2.23 0.00 0.00 60.65 57.70 1ozb s ILE 69 Cb -0.15 -1.57 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1ozb s ILE 69 CO 0.05 0.49 -0.19 -0.55 -1.23 0.00 0.00 174.94 173.51 1ozb s SER 70 N 0.73 2.54 -0.03 3.58 0.15 0.10 -0.45 113.70 120.32 1ozb s SER 70 Ca -0.11 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1ozb s SER 70 Cb -0.16 -1.05 0.03 0.00 -1.71 0.00 0.00 66.02 63.12 1ozb s SER 70 CO 0.02 0.13 -0.00 -0.69 1.20 0.00 0.00 173.24 173.89 1ozb s VAL 71 N 0.34 0.20 -0.05 4.45 1.01 0.90 0.12 120.40 127.37 1ozb s VAL 71 Ca -0.14 0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1ozb s VAL 71 Cb -0.16 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1ozb s VAL 71 CO 0.06 0.15 -0.04 -0.70 0.00 0.00 0.00 175.10 174.56 1ozb s GLU 72 N 1.01 0.86 -0.13 2.72 2.12 0.49 0.08 118.70 125.84 1ozb s GLU 72 Ca -0.10 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.15 1ozb s GLU 72 Cb -0.14 -0.89 -0.00 0.00 0.26 0.00 0.00 34.13 33.36 1ozb s GLU 72 CO -0.02 -0.10 -0.19 0.99 -0.54 0.00 0.00 175.26 175.40 1ozb s THR 73 N 1.03 2.44 0.19 -1.70 2.01 -0.51 0.80 115.64 119.89 1ozb s THR 73 Ca -0.09 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.14 1ozb s THR 73 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1ozb s THR 73 CO -0.00 0.54 -0.19 0.42 -0.69 0.00 0.00 174.62 174.69 1ozb s THR 74 N 0.61 1.99 -0.23 -0.82 -4.23 -0.57 0.07 115.64 112.46 1ozb s THR 74 Ca -0.10 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.21 1ozb s THR 74 Cb -0.16 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1ozb s THR 74 CO 0.03 -0.33 0.38 -0.76 -0.54 0.00 0.00 174.62 173.40 1ozb s LEU 75 N -2.86 4.11 0.17 4.79 1.02 -0.68 0.37 118.68 125.59 1ozb s LEU 75 Ca 0.19 0.42 -0.15 0.00 0.02 0.00 0.00 54.13 54.61 1ozb s LEU 75 Cb -0.05 -2.47 0.09 0.00 0.02 0.00 0.00 46.19 43.78 1ozb s LEU 75 CO 0.08 -0.12 1.76 1.05 0.02 0.00 0.00 176.35 179.15 1ozb h GLU 76 N 7.68 0.34 -0.12 1.70 4.11 -1.42 0.30 114.58 127.17 1ozb h GLU 76 Ca -0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1ozb h GLU 76 Cb 1.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ozb h GLU 76 CO 0.69 0.23 0.00 -0.25 0.07 0.00 0.00 179.01 179.75 1ozb n ASP 77 N -4.97 0.12 0.00 3.06 8.00 -1.26 -3.39 116.55 118.10 1ozb n ASP 77 Ca 0.03 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1ozb n ASP 77 Cb 0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1ozb n ASP 77 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ozb n SER 78 N 0.02 0.00 0.00 -2.24 3.41 -1.13 -5.01 113.62 108.66 1ozb n SER 78 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ozb n SER 78 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1ozb n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ozb n GLY 79 N 0.00 1.91 3.71 5.00 0.00 0.10 -4.99 105.19 110.93 1ozb n GLY 79 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ozb n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ozb n ASP 80 N 0.00 2.03 -4.70 1.61 10.43 -1.25 -4.65 116.55 120.02 1ozb n ASP 80 Ca 0.00 0.87 -0.40 0.00 2.57 0.00 0.00 54.79 57.82 1ozb n ASP 80 Cb 0.00 -1.54 -0.05 0.00 1.84 0.00 0.00 41.12 41.38 1ozb n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ozb s VAL 81 N -1.38 5.00 -0.13 2.53 1.01 -1.26 -1.68 120.40 124.49 1ozb s VAL 81 Ca 0.79 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 64.12 1ozb s VAL 81 Cb -0.40 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 31.78 1ozb s VAL 81 CO 0.44 0.19 0.34 0.00 0.00 0.00 0.00 175.10 176.07 1ozb h ALA 82 N 6.92 0.02 -2.90 5.51 0.00 -0.70 -3.39 119.26 124.72 1ozb h ALA 82 Ca -0.38 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1ozb h ALA 82 Cb 1.18 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 1ozb h ALA 82 CO 0.77 0.10 0.20 -0.59 0.00 0.00 0.00 179.25 179.73 1ozb s PHE 83 N -1.96 -0.54 -0.05 0.00 -0.12 -1.14 -4.46 117.98 109.71 1ozb s PHE 83 Ca -0.12 0.39 0.02 0.00 -0.05 0.00 0.00 56.93 57.16 1ozb s PHE 83 Cb -0.01 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1ozb s PHE 83 CO 0.37 -0.82 -0.07 0.42 -0.05 0.00 0.00 175.22 175.06 1ozb s ILE 84 N -3.51 0.73 -0.05 -4.49 1.01 0.10 -1.42 121.20 113.56 1ozb s ILE 84 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 1ozb s ILE 84 Cb -0.01 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.78 1ozb s ILE 84 CO -0.11 0.26 -0.02 0.00 0.00 0.00 0.00 174.94 175.08 1ozb s GLU 86 N 1.35 2.73 -0.02 0.00 2.02 0.12 -0.07 118.70 124.84 1ozb s GLU 86 Ca -0.04 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.19 1ozb s GLU 86 Cb -0.13 -2.10 -0.00 0.00 0.10 0.00 0.00 34.13 31.99 1ozb s GLU 86 CO -0.02 0.16 -0.10 0.08 0.02 0.00 0.00 175.26 175.40 1ozb s VAL 87 N 0.36 0.84 -0.59 2.63 1.01 0.40 -0.95 120.40 124.11 1ozb s VAL 87 Ca -0.17 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1ozb s VAL 87 Cb -0.17 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.63 1ozb s VAL 87 CO 0.08 0.25 0.36 -0.75 0.00 0.00 0.00 175.10 175.03 1ozb s LYS 88 N -0.03 2.26 -0.01 2.72 2.20 0.12 -0.80 119.74 126.21 1ozb s LYS 88 Ca 0.00 -2.71 -0.20 0.00 -0.36 0.00 0.00 55.97 52.71 1ozb s LYS 88 Cb -0.07 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1ozb s LYS 88 CO 0.00 -1.15 0.57 -1.14 -0.36 0.00 0.00 175.35 173.27 1ozb s GLN 89 N -0.40 4.29 0.27 4.03 2.00 -0.06 -1.46 119.66 128.32 1ozb s GLN 89 Ca 0.18 0.69 0.02 0.00 -2.00 0.00 0.00 55.36 54.25 1ozb s GLN 89 Cb -0.21 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.21 1ozb s GLN 89 CO -0.03 0.37 0.15 0.00 -0.50 0.00 0.00 175.29 175.28 1ozb s ALA 90 N -0.18 1.66 -0.09 1.58 0.00 0.07 0.96 121.76 125.76 1ozb s ALA 90 Ca 0.30 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 1ozb s ALA 90 Cb -0.18 1.23 0.09 0.00 0.00 0.00 0.00 23.12 24.26 1ozb s ALA 90 CO 0.16 -0.53 0.78 0.20 0.00 0.00 0.00 175.76 176.37 1ozb s GLY 91 N -3.30 -0.48 -0.21 0.00 0.00 -0.62 -1.50 107.32 101.21 1ozb s GLY 91 Ca 0.38 1.58 -0.06 0.00 0.00 0.00 0.00 44.72 46.61 1ozb s GLY 91 CO 0.16 1.02 0.03 0.14 0.00 0.00 0.00 173.10 174.45 1ozb s VAL 92 N -1.08 4.17 0.14 1.40 1.01 0.88 -0.65 120.40 126.26 1ozb s VAL 92 Ca -0.08 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 61.78 1ozb s VAL 92 Cb -0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1ozb s VAL 92 CO 0.07 0.41 -0.26 -0.36 0.00 0.00 0.00 175.10 174.96 1ozb s PHE 93 N 1.06 2.32 -0.37 5.22 0.40 0.56 -0.21 117.98 126.96 1ozb s PHE 93 Ca 0.03 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 55.84 1ozb s PHE 93 Cb -0.14 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.15 1ozb s PHE 93 CO 0.02 0.37 0.30 0.99 0.70 0.00 0.00 175.22 177.60 1ozb s THR 94 N -1.18 5.24 -0.05 0.64 2.01 0.55 -0.93 115.64 121.91 1ozb s THR 94 Ca 0.15 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1ozb s THR 94 Cb -0.10 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.59 1ozb s THR 94 CO 0.07 -0.16 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.08 1ozb s ILE 95 N 1.78 1.15 -0.06 1.82 1.01 0.22 -1.12 121.20 125.99 1ozb s ILE 95 Ca 0.07 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1ozb s ILE 95 Cb -0.18 -1.03 0.09 0.00 0.01 0.00 0.00 42.46 41.35 1ozb s ILE 95 CO 0.11 0.35 0.79 -0.94 0.00 0.00 0.00 174.94 175.25 1ozb s SER 96 N 0.46 -0.54 0.00 3.58 1.04 -0.95 -4.62 113.70 112.66 1ozb s SER 96 Ca -0.11 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1ozb s SER 96 Cb -0.14 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1ozb s SER 96 CO 0.03 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1ozb n GLY 97 N 0.64 0.85 2.96 7.32 0.00 -1.26 0.11 105.19 115.81 1ozb n GLY 97 Ca -0.15 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1ozb n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozb s LEU 98 N -0.92 2.06 0.67 0.99 1.43 -1.26 -4.35 118.68 117.31 1ozb s LEU 98 Ca 0.00 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 1ozb s LEU 98 Cb 0.00 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.03 1ozb s LEU 98 CO 0.00 -0.01 1.13 -1.61 0.23 0.00 0.00 176.35 176.09 1ozb s GLU 99 N -0.42 2.66 0.28 1.70 8.01 -1.26 -4.58 118.70 125.10 1ozb s GLU 99 Ca -0.01 1.47 0.05 0.00 0.01 0.00 0.00 54.97 56.49 1ozb s GLU 99 Cb -0.03 -1.93 0.77 0.00 -4.31 0.00 0.00 34.13 28.63 1ozb s GLU 99 CO -0.00 -1.37 1.39 -0.25 0.01 0.00 0.00 175.26 175.03 1ozb n ASP 100 N -2.47 -0.03 -0.03 -0.19 10.43 -1.26 -0.63 116.55 122.37 1ozb n ASP 100 Ca 0.11 1.50 -0.13 0.00 2.57 0.00 0.00 54.79 58.83 1ozb n ASP 100 Cb 0.52 -0.58 -0.09 0.00 1.84 0.00 0.00 41.12 42.81 1ozb n ASP 100 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1ozb h VAL 101 N 0.00 1.40 -0.64 2.53 2.07 -1.99 -1.98 116.25 117.65 1ozb h VAL 101 Ca 0.58 -1.36 0.09 0.00 0.82 0.00 0.00 66.70 66.83 1ozb h VAL 101 Cb 1.27 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 1ozb h VAL 101 CO -0.80 0.37 0.29 -0.61 0.02 0.00 0.00 177.57 176.84 1ozb h GLN 102 N -0.30 0.49 -0.60 1.57 5.75 -1.21 -0.98 115.11 119.82 1ozb h GLN 102 Ca 0.01 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 1ozb h GLN 102 Cb 0.65 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1ozb h GLN 102 CO 0.02 0.32 -0.01 1.98 -2.65 0.00 0.00 178.83 178.50 1ozb h MET 103 N 0.51 1.07 -0.72 1.69 4.05 -1.01 -1.53 114.93 118.99 1ozb h MET 103 Ca 0.31 -0.34 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1ozb h MET 103 Cb 0.34 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1ozb h MET 103 CO -0.27 1.05 0.36 0.00 0.23 0.00 0.00 176.91 178.28 1ozb h ALA 104 N 0.98 1.29 -0.41 0.39 0.00 -0.52 -0.59 119.26 120.40 1ozb h ALA 104 Ca 0.17 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1ozb h ALA 104 Cb 0.57 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ozb h ALA 104 CO 0.03 0.56 -0.32 1.25 0.00 0.00 0.00 179.25 180.78 1ozb h HIS 105 N 1.01 1.10 -0.29 0.00 6.17 -0.96 -1.90 115.15 120.29 1ozb h HIS 105 Ca 0.25 -0.31 -0.08 0.00 0.71 0.00 0.00 60.37 60.94 1ozb h HIS 105 Cb 0.07 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.75 1ozb h HIS 105 CO 0.01 1.13 -0.16 0.00 0.71 0.00 0.00 177.93 179.62 1ozb h LEU 107 N 0.46 0.00 -0.07 0.00 3.38 -1.06 -0.55 115.31 117.46 1ozb h LEU 107 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ozb h LEU 107 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ozb h LEU 107 CO 0.04 0.72 -0.65 0.35 0.09 0.00 0.00 178.44 178.99 1ozb n THR 108 N -3.15 0.00 0.09 0.22 -2.24 -0.72 -4.49 114.28 103.98 1ozb n THR 108 Ca -0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1ozb n THR 108 Cb 0.86 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1ozb n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ozb n SER 109 N -1.24 0.40 0.13 3.42 2.88 0.23 -4.70 113.62 114.75 1ozb n SER 109 Ca 0.03 0.28 -0.15 0.00 -1.33 0.00 0.00 58.87 57.70 1ozb n SER 109 Cb 0.23 0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.65 1ozb n SER 109 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ozb h GLN 110 N 0.00 -0.66 -0.08 -1.46 4.20 -1.43 -0.55 115.11 115.13 1ozb h GLN 110 Ca 0.00 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1ozb h GLN 110 Cb 0.00 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ozb h GLN 110 CO 0.00 -0.44 -0.01 0.00 -0.67 0.00 0.00 178.83 177.71 1ozb h PRO 112 N -0.16 0.66 -0.39 0.00 0.11 -1.77 0.36 132.00 130.81 1ozb h PRO 112 Ca 0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1ozb h PRO 112 Cb 0.37 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1ozb h PRO 112 CO 0.01 0.44 0.03 -0.97 -0.21 0.00 0.00 178.00 177.30 1ozb h ASN 113 N 0.68 0.57 0.40 -2.05 -0.73 -0.90 -0.99 115.58 112.57 1ozb h ASN 113 Ca 0.41 -0.11 -0.12 0.00 1.87 0.00 0.00 56.30 58.36 1ozb h ASN 113 Cb 0.64 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1ozb h ASN 113 CO -0.18 0.62 -0.52 0.24 -0.37 0.00 0.00 177.43 177.22 1ozb h MET 114 N 0.59 0.13 0.00 6.67 2.86 -0.53 -3.19 114.93 121.46 1ozb h MET 114 Ca 0.13 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1ozb h MET 114 Cb 0.32 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1ozb h MET 114 CO 0.01 0.62 -0.66 -0.07 1.06 0.00 0.00 176.91 177.87 1ozb h LEU 115 N 0.10 0.00 -0.28 1.22 3.38 -0.81 -3.39 115.31 115.53 1ozb h LEU 115 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1ozb h LEU 115 Cb 0.95 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1ozb h LEU 115 CO 0.07 0.63 -0.22 0.15 0.09 0.00 0.00 178.44 179.16 1ozb h PHE 116 N 0.00 -0.58 -0.15 1.13 3.57 -1.19 -1.46 116.94 118.26 1ozb h PHE 116 Ca -0.01 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1ozb h PHE 116 Cb 1.49 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1ozb h PHE 116 CO 0.00 -0.30 0.12 -1.00 -2.23 0.00 0.00 178.31 174.90 1ozb h PRO 117 N -0.21 0.00 -0.14 6.41 0.13 -1.76 0.39 132.00 136.83 1ozb h PRO 117 Ca 0.15 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.24 1ozb h PRO 117 Cb 0.44 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1ozb h PRO 117 CO -0.41 0.00 -0.08 1.88 -0.23 0.00 0.00 178.00 179.17 1ozb h TYR 118 N 0.00 0.34 -0.31 1.56 -1.99 -1.53 -1.63 116.97 113.42 1ozb h TYR 118 Ca 0.07 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.64 1ozb h TYR 118 Cb 0.32 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1ozb h TYR 118 CO 0.00 0.64 -0.11 0.00 -0.00 0.00 0.00 178.16 178.69 1ozb h ALA 119 N 0.65 1.23 -0.28 3.88 0.00 -0.68 -1.84 119.26 122.22 1ozb h ALA 119 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ozb h ALA 119 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ozb h ALA 119 CO 0.02 0.50 0.15 -0.09 0.00 0.00 0.00 179.25 179.83 1ozb h ARG 120 N 0.49 0.39 -0.87 0.00 2.43 -0.12 -1.21 114.38 115.49 1ozb h ARG 120 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ozb h ARG 120 Cb 0.49 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1ozb h ARG 120 CO 0.03 0.35 0.55 1.49 -1.51 0.00 0.00 179.97 180.87 1ozb h GLU 121 N 0.33 1.16 -0.48 0.20 4.22 -0.99 -0.56 114.58 118.46 1ozb h GLU 121 Ca 0.10 -0.09 -0.08 0.00 0.08 0.00 0.00 59.36 59.37 1ozb h GLU 121 Cb 0.08 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1ozb h GLU 121 CO -0.01 0.80 -0.01 1.25 -2.18 0.00 0.00 179.01 178.85 1ozb h LEU 122 N 1.19 0.83 -0.22 1.64 5.85 -1.05 0.12 115.31 123.67 1ozb h LEU 122 Ca 0.31 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ozb h LEU 122 Cb -0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1ozb h LEU 122 CO -0.06 0.94 0.08 0.58 -0.34 0.00 0.00 178.44 179.64 1ozb h VAL 123 N 0.70 1.17 -0.51 1.05 2.07 -0.86 -1.40 116.25 118.47 1ozb h VAL 123 Ca 0.13 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1ozb h VAL 123 Cb 0.52 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1ozb h VAL 123 CO 0.03 0.17 0.14 0.77 0.02 0.00 0.00 177.57 178.70 1ozb h SER 124 N 0.20 0.71 -0.20 0.57 4.64 -0.94 -1.38 113.55 117.16 1ozb h SER 124 Ca 0.07 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1ozb h SER 124 Cb 0.19 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1ozb h SER 124 CO -0.00 0.69 0.07 -1.13 -0.87 0.00 0.00 176.83 175.59 1ozb h ASN 125 N 0.75 0.29 -0.43 4.97 -0.73 -0.51 -1.86 115.58 118.06 1ozb h ASN 125 Ca 0.17 -0.19 -0.14 0.00 1.87 0.00 0.00 56.30 58.00 1ozb h ASN 125 Cb 0.25 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1ozb h ASN 125 CO -0.01 0.41 -0.29 -0.07 -0.37 0.00 0.00 177.43 177.10 1ozb h LEU 126 N 0.16 1.01 -0.83 0.34 3.38 -1.10 -2.71 115.31 115.56 1ozb h LEU 126 Ca 0.07 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ozb h LEU 126 Cb 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ozb h LEU 126 CO -0.00 1.22 0.52 0.58 0.09 0.00 0.00 178.44 180.85 1ozb h VAL 127 N 0.81 1.23 0.00 1.22 2.07 -1.19 -1.28 116.25 119.11 1ozb h VAL 127 Ca 0.09 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1ozb h VAL 127 Cb 0.88 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ozb h VAL 127 CO 0.08 0.23 -0.24 -1.13 0.02 0.00 0.00 177.57 176.53 1ozb h ASN 128 N 1.14 0.00 0.84 0.57 -1.24 -1.25 -1.39 115.58 114.25 1ozb h ASN 128 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.31 1ozb h ASN 128 Cb -0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1ozb h ASN 128 CO -0.06 0.24 0.00 0.03 -1.29 0.00 0.00 177.43 176.36 1ozb h ARG 129 N 0.00 0.00 -0.23 6.67 3.08 -0.90 -0.04 114.38 122.95 1ozb h ARG 129 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ozb h ARG 129 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ozb h ARG 129 CO 0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 1ozb n GLY 130 N -0.03 0.85 2.93 0.04 0.00 -0.53 -4.93 105.19 103.51 1ozb n GLY 130 Ca 0.01 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1ozb n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ozb n THR 131 N 0.82 -1.74 -3.63 2.61 -2.24 -0.03 -5.01 114.28 105.06 1ozb n THR 131 Ca 0.17 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.71 1ozb n THR 131 Cb 0.45 -3.24 -0.02 0.00 -2.10 0.00 0.00 70.33 65.42 1ozb n THR 131 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ozb s PHE 132 N -3.13 3.48 0.42 4.78 0.40 -1.17 -5.04 117.98 117.73 1ozb s PHE 132 Ca 0.25 0.24 -0.26 0.00 -0.60 0.00 0.00 56.93 56.56 1ozb s PHE 132 Cb -0.11 -1.79 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 1ozb s PHE 132 CO 0.31 0.28 1.43 -1.25 0.70 0.00 0.00 175.22 176.69 1ozb s PRO 133 N -3.97 3.84 0.16 0.24 0.04 -1.26 -4.58 135.00 129.47 1ozb s PRO 133 Ca 0.38 2.43 -0.25 0.00 0.04 0.00 0.00 61.00 63.60 1ozb s PRO 133 Cb -0.10 -2.76 -0.15 0.00 0.04 0.00 0.00 34.50 31.54 1ozb s PRO 133 CO 0.32 -0.70 0.50 0.00 0.04 0.00 0.00 177.00 177.16 1ozb n ALA 134 N 0.03 -2.70 -3.69 8.56 0.00 -1.26 -4.94 120.51 116.51 1ozb n ALA 134 Ca 0.04 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1ozb n ALA 134 Cb 0.41 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.29 1ozb n ALA 134 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ozb s LEU 135 N 2.36 1.82 -0.41 0.00 2.96 -1.26 -5.09 118.68 119.06 1ozb s LEU 135 Ca 0.58 -1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 52.90 1ozb s LEU 135 Cb -0.84 -0.74 0.10 0.00 0.50 0.00 0.00 46.19 45.21 1ozb s LEU 135 CO 0.49 -0.42 0.23 0.20 -1.32 0.00 0.00 176.35 175.53 1ozb s ASN 136 N 1.73 5.40 0.14 3.68 0.01 -1.26 -4.01 114.94 120.63 1ozb s ASN 136 Ca 0.09 -1.83 -0.34 0.00 -0.71 0.00 0.00 52.86 50.07 1ozb s ASN 136 Cb -0.17 -1.89 -0.16 0.00 0.41 0.00 0.00 41.25 39.44 1ozb s ASN 136 CO -0.27 -0.55 1.18 0.18 -1.51 0.00 0.00 177.10 176.12 1ozb n LEU 137 N 4.73 1.35 -4.78 0.60 4.77 -1.26 -4.92 117.00 117.49 1ozb n LEU 137 Ca -0.06 1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.72 1ozb n LEU 137 Cb 0.42 -1.18 0.02 0.00 -2.33 0.00 0.00 43.42 40.35 1ozb n LEU 137 CO 0.36 -1.34 0.75 -0.44 -1.33 0.00 0.00 177.39 175.39 1ozb s SER 138 N 0.08 5.53 0.31 -1.43 0.01 -1.26 -4.96 113.70 111.99 1ozb s SER 138 Ca 0.77 2.01 -0.28 0.00 1.31 0.00 0.00 55.95 59.77 1ozb s SER 138 Cb -0.91 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 62.63 1ozb s SER 138 CO 0.51 -1.34 1.09 -2.65 0.41 0.00 0.00 173.24 171.26 1ozb n PRO 139 N -1.87 1.57 -4.38 12.44 -0.02 -1.26 -4.99 135.00 136.49 1ozb n PRO 139 Ca 0.10 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 1ozb n PRO 139 Cb 0.52 -1.99 -0.12 0.00 -0.02 0.00 0.00 33.50 31.88 1ozb n PRO 139 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ozb s VAL 140 N -1.08 3.78 -0.70 -1.45 1.01 -1.26 -5.05 120.40 115.64 1ozb s VAL 140 Ca 0.58 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 1ozb s VAL 140 Cb -0.66 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.15 1ozb s VAL 140 CO 0.61 0.49 0.97 0.21 0.00 0.00 0.00 175.10 177.37 1ozb s ASN 141 N 0.49 6.25 0.37 3.32 2.47 -1.26 -4.87 114.94 121.71 1ozb s ASN 141 Ca -0.04 -1.21 0.18 0.00 0.42 0.00 0.00 52.86 52.21 1ozb s ASN 141 Cb -0.14 -2.41 0.66 0.00 -1.45 0.00 0.00 41.25 37.91 1ozb s ASN 141 CO 0.03 -1.35 1.73 -0.26 -3.72 0.00 0.00 177.10 173.52 1ozb h PHE 142 N 9.42 0.00 -0.04 0.43 -1.00 -1.93 -2.53 116.94 121.28 1ozb h PHE 142 Ca -0.21 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.58 1ozb h PHE 142 Cb 1.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 1ozb h PHE 142 CO 0.99 0.38 0.05 -0.44 -1.61 0.00 0.00 178.31 177.68 1ozb h ASP 143 N 0.00 0.00 0.42 2.17 3.32 -1.89 0.13 116.42 120.57 1ozb h ASP 143 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.76 1ozb h ASP 143 Cb 0.91 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.47 1ozb h ASP 143 CO 0.05 0.00 -1.23 0.00 -1.72 0.00 0.00 179.24 176.34 1ozb h ALA 144 N 1.94 0.08 0.00 3.45 0.00 -1.87 -3.02 119.26 119.85 1ozb h ALA 144 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1ozb h ALA 144 Cb 0.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ozb h ALA 144 CO -0.00 0.84 0.00 1.28 0.00 0.00 0.00 179.25 181.37 1ozb n LEU 145 N -3.65 0.00 0.09 0.00 4.32 0.25 -2.35 117.00 115.65 1ozb n LEU 145 Ca -0.11 0.38 -0.21 0.00 -0.02 0.00 0.00 56.01 56.06 1ozb n LEU 145 Cb 1.00 -0.38 -0.15 0.00 -1.62 0.00 0.00 43.42 42.27 1ozb n LEU 145 CO 0.55 -0.10 -0.35 0.15 -1.22 0.00 0.00 177.39 176.42 1ozb h PHE 146 N 0.00 0.67 -0.35 -1.77 3.57 -0.89 -3.29 116.94 114.87 1ozb h PHE 146 Ca 0.00 -0.49 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1ozb h PHE 146 Cb 0.28 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1ozb h PHE 146 CO 0.00 1.51 0.17 0.28 -2.23 0.00 0.00 178.31 178.05 1ozb h VAL 147 N 0.10 1.16 0.00 1.41 2.07 -1.40 -0.75 116.25 118.84 1ozb h VAL 147 Ca -0.27 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1ozb h VAL 147 Cb 2.08 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ozb h VAL 147 CO 0.20 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 1ozb n GLU 148 N -4.74 0.06 -0.07 1.57 1.02 -1.16 -1.95 120.64 115.37 1ozb n GLU 148 Ca -0.01 0.23 -0.20 0.00 -0.02 0.00 0.00 57.16 57.16 1ozb n GLU 148 Cb 0.10 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 1ozb n GLU 148 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1ozb n TYR 149 N -1.26 0.62 0.26 -0.32 9.36 -0.31 -4.20 117.16 121.31 1ozb n TYR 149 Ca 0.02 0.14 0.11 0.00 3.32 0.00 0.00 57.90 61.48 1ozb n TYR 149 Cb 0.03 -1.08 0.70 0.00 -0.63 0.00 0.00 39.34 38.36 1ozb n TYR 149 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1ozb h MET 150 N -0.02 0.00 0.00 2.98 2.86 -1.12 -3.52 114.93 116.12 1ozb h MET 150 Ca -0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1ozb h MET 150 Cb 1.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.60 1ozb h MET 150 CO -0.02 0.09 0.00 0.09 1.06 0.00 0.00 176.91 178.13