#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 -0.08 -0.23 -1.45 -7.23 -0.80 -5.04 120.40 105.58 1ozb s VAL 17 Ca 0.00 0.21 -0.04 0.00 -1.81 0.00 0.00 61.98 60.34 1ozb s VAL 17 Cb 0.00 -0.23 0.08 0.00 0.56 0.00 0.00 36.38 36.79 1ozb s VAL 17 CO 0.00 0.09 0.11 -0.22 -0.31 0.00 0.00 175.10 174.76 1ozb s LEU 18 N 1.34 0.51 0.00 1.32 2.96 -1.24 -1.33 118.68 122.24 1ozb s LEU 18 Ca -0.07 -0.94 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1ozb s LEU 18 Cb -0.12 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1ozb s LEU 18 CO -0.06 -0.39 -0.17 -1.58 -1.32 0.00 0.00 176.35 172.84 1ozb s GLN 19 N 2.10 1.27 -0.28 1.98 2.00 -0.23 -4.97 119.66 121.53 1ozb s GLN 19 Ca 0.05 -0.66 -0.17 0.00 -2.00 0.00 0.00 55.36 52.58 1ozb s GLN 19 Cb -0.16 -1.26 -0.03 0.00 0.80 0.00 0.00 33.01 32.37 1ozb s GLN 19 CO -0.21 0.34 0.48 -1.50 -0.50 0.00 0.00 175.29 173.89 1ozb s ILE 20 N -0.52 5.09 -0.16 -2.34 2.07 -1.26 -0.18 121.20 123.90 1ozb s ILE 20 Ca 0.06 0.72 -0.16 0.00 -1.41 0.00 0.00 60.65 59.85 1ozb s ILE 20 Cb -0.07 -3.82 -0.23 0.00 0.13 0.00 0.00 42.46 38.48 1ozb s ILE 20 CO 0.00 0.06 0.33 1.56 -1.91 0.00 0.00 174.94 174.98 1ozb h GLN 21 N 8.13 0.13 -2.13 3.50 4.20 -0.88 -3.49 115.11 124.57 1ozb h GLN 21 Ca -0.29 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.14 1ozb h GLN 21 Cb 1.14 0.08 -0.21 0.00 0.30 0.00 0.00 27.48 28.79 1ozb h GLN 21 CO 0.71 1.11 0.07 0.50 -0.67 0.00 0.00 178.83 180.54 1ozb s ARG 22 N -2.44 0.78 -0.19 1.46 3.52 -1.13 -4.96 118.95 115.99 1ozb s ARG 22 Ca -0.25 0.91 -0.00 0.00 -0.13 0.00 0.00 55.73 56.25 1ozb s ARG 22 Cb 0.06 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.84 1ozb s ARG 22 CO 0.68 -0.10 -0.15 0.42 -0.81 0.00 0.00 175.30 175.35 1ozb s ILE 23 N 0.31 2.54 0.17 4.11 1.01 -1.26 -0.16 121.20 127.92 1ozb s ILE 23 Ca -0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1ozb s ILE 23 Cb -0.05 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1ozb s ILE 23 CO 0.01 0.50 0.34 -0.72 0.00 0.00 0.00 174.94 175.08 1ozb s TYR 24 N 1.25 0.27 -0.17 3.97 -0.85 -0.25 -5.00 117.35 116.57 1ozb s TYR 24 Ca 0.03 -0.63 -0.08 0.00 -0.52 0.00 0.00 57.07 55.88 1ozb s TYR 24 Cb -0.14 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 1ozb s TYR 24 CO -0.08 -0.77 0.09 0.54 -1.52 0.00 0.00 175.55 173.81 1ozb s VAL 25 N -3.94 5.02 -0.15 -3.49 0.11 -1.26 -0.46 120.40 116.23 1ozb s VAL 25 Ca 0.15 0.04 0.12 0.00 -2.93 0.00 0.00 61.98 59.37 1ozb s VAL 25 Cb 0.02 -3.25 -0.23 0.00 -1.53 0.00 0.00 36.38 31.38 1ozb s VAL 25 CO -0.01 0.48 0.26 0.29 -3.33 0.00 0.00 175.10 172.79 1ozb n LYS 26 N 3.28 0.67 -3.71 1.54 5.02 -0.30 -4.95 118.16 119.71 1ozb n LYS 26 Ca -0.17 0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 1ozb n LYS 26 Cb 0.53 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 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 -5.96 -0.49 0.00 4.39 -1.08 -1.23 -5.01 116.67 107.29 1ozb s ASP 27 Ca -0.12 0.95 -0.00 0.00 -0.52 0.00 0.00 52.55 52.85 1ozb s ASP 27 Cb 0.07 0.95 -0.00 0.00 -1.46 0.00 0.00 42.92 42.48 1ozb s ASP 27 CO 0.80 -0.16 0.00 -0.69 0.52 0.00 0.00 175.17 175.63 1ozb s VAL 28 N 0.32 0.01 -0.17 1.11 1.01 -1.26 -0.80 120.40 120.63 1ozb s VAL 28 Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1ozb s VAL 28 Cb -0.04 -0.05 0.05 0.00 0.00 0.00 0.00 36.38 36.35 1ozb s VAL 28 CO -0.00 -0.06 0.43 -0.55 0.00 0.00 0.00 175.10 174.92 1ozb s SER 29 N -0.17 -0.51 -0.07 3.32 0.15 -0.08 -5.00 113.70 111.35 1ozb s SER 29 Ca -0.02 0.91 -0.03 0.00 0.70 0.00 0.00 55.95 57.51 1ozb s SER 29 Cb -0.01 0.83 0.04 0.00 -1.71 0.00 0.00 66.02 65.17 1ozb s SER 29 CO -0.00 -0.18 0.14 0.12 1.20 0.00 0.00 173.24 174.52 1ozb s PHE 30 N 1.05 -0.15 -0.01 3.44 5.36 -1.26 -0.66 117.98 125.75 1ozb s PHE 30 Ca -0.07 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 56.41 1ozb s PHE 30 Cb -0.07 -0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.46 1ozb s PHE 30 CO -0.09 -0.19 -0.03 -1.83 -1.46 0.00 0.00 175.22 171.62 1ozb s GLU 31 N 1.53 0.32 -0.51 10.12 -1.05 -0.08 -4.99 118.70 124.05 1ozb s GLU 31 Ca -0.05 -0.09 0.05 0.00 -0.15 0.00 0.00 54.97 54.73 1ozb s GLU 31 Cb -0.12 -0.36 0.18 0.00 -0.44 0.00 0.00 34.13 33.39 1ozb s GLU 31 CO -0.06 0.03 0.41 0.00 0.95 0.00 0.00 175.26 176.59 1ozb n ALA 32 N 3.29 3.05 -0.01 -0.84 0.00 -1.26 -0.97 120.51 123.76 1ozb n ALA 32 Ca -0.16 -3.61 0.03 0.00 0.00 0.00 0.00 53.44 49.70 1ozb n ALA 32 Cb 0.57 -0.84 0.40 0.00 0.00 0.00 0.00 19.45 19.57 1ozb n ALA 32 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ozb h PRO 33 N 5.42 0.56 -1.19 0.00 0.13 -1.84 -3.26 132.00 131.83 1ozb h PRO 33 Ca 0.22 -0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.76 1ozb h PRO 33 Cb 0.85 -0.12 -0.24 0.00 0.13 0.00 0.00 31.00 31.62 1ozb h PRO 33 CO 0.50 0.40 0.71 0.09 -0.23 0.00 0.00 178.00 179.46 1ozb n ASN 34 N -4.45 7.18 -4.88 1.44 3.02 -1.26 -4.95 115.26 111.35 1ozb n ASN 34 Ca 0.03 -3.52 -0.30 0.00 -0.03 0.00 0.00 54.58 50.76 1ozb n ASN 34 Cb 0.08 -1.00 -0.05 0.00 -0.61 0.00 0.00 39.78 38.20 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 -3.09 4.19 0.00 3.41 1.02 -1.23 -1.00 118.68 121.98 1ozb s LEU 35 Ca 0.52 0.17 0.25 0.00 0.02 0.00 0.00 54.13 55.10 1ozb s LEU 35 Cb 0.41 -2.81 0.54 0.00 0.02 0.00 0.00 46.19 44.35 1ozb s LEU 35 CO -0.01 0.15 1.43 -0.81 0.02 0.00 0.00 176.35 177.14 1ozb n PRO 36 N 0.20 0.70 0.14 1.29 -0.04 -1.26 -4.90 135.00 131.13 1ozb n PRO 36 Ca -0.06 -0.46 0.14 0.00 -0.04 0.00 0.00 63.50 63.08 1ozb n PRO 36 Cb 0.52 -1.49 0.67 0.00 -0.04 0.00 0.00 33.50 33.16 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 1.11 0.00 -0.04 0.54 2.07 -1.99 -2.13 115.15 114.71 1ozb h HIS 37 Ca 0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1ozb h HIS 37 Cb 0.54 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.52 1ozb h HIS 37 CO 0.00 0.00 0.11 0.97 -3.07 0.00 0.00 177.93 175.94 1ozb h ILE 38 N 0.00 0.17 0.00 6.12 6.09 -1.42 0.12 117.51 128.60 1ozb h ILE 38 Ca 0.12 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.61 1ozb h ILE 38 Cb 0.49 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1ozb h ILE 38 CO -0.00 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.57 1ozb n PHE 39 N -3.30 0.00 0.47 2.19 0.99 -0.80 -2.40 117.46 114.61 1ozb n PHE 39 Ca -0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.55 1ozb n PHE 39 Cb 0.19 -0.02 0.05 0.00 -1.00 0.00 0.00 39.48 38.69 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 -1.02 0.36 -2.28 -1.08 6.02 0.43 -4.93 117.38 114.88 1ozb n GLN 40 Ca 0.19 0.03 -0.28 0.00 -0.01 0.00 0.00 57.00 56.93 1ozb n GLN 40 Cb 0.10 -1.65 0.02 0.00 1.02 0.00 0.00 30.24 29.74 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 -3.23 3.13 -0.02 -1.09 -0.21 -1.01 -5.01 119.66 112.22 1ozb s GLN 41 Ca 0.03 0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.33 1ozb s GLN 41 Cb 0.13 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1ozb s GLN 41 CO 0.79 -0.64 1.40 -1.21 -2.12 0.00 0.00 175.29 173.51 1ozb s GLU 42 N -5.03 4.27 -1.18 2.91 2.02 -1.26 -4.90 118.70 115.53 1ozb s GLU 42 Ca 0.53 1.95 -0.22 0.00 0.02 0.00 0.00 54.97 57.25 1ozb s GLU 42 Cb -0.11 -3.62 -0.07 0.00 0.10 0.00 0.00 34.13 30.44 1ozb s GLU 42 CO 0.47 -0.60 1.91 -0.46 0.02 0.00 0.00 175.26 176.60 1ozb s TRP 43 N 2.61 2.04 -0.82 1.61 -0.11 -1.26 -4.77 118.94 118.25 1ozb s TRP 43 Ca 0.64 0.24 0.01 0.00 1.22 0.00 0.00 56.10 58.20 1ozb s TRP 43 Cb -0.30 -4.09 0.20 0.00 -1.50 0.00 0.00 33.47 27.78 1ozb s TRP 43 CO 0.26 -1.30 0.67 1.63 -4.62 0.00 0.00 176.95 173.59 1ozb n LYS 44 N 8.33 2.32 -2.38 5.86 5.02 -1.26 -5.09 118.16 130.96 1ozb n LYS 44 Ca 0.45 -4.49 -0.40 0.00 -2.02 0.00 0.00 58.31 51.84 1ozb n LYS 44 Cb 0.47 -2.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.08 1ozb n LYS 44 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ozb s PRO 45 N -1.47 4.51 -0.22 1.97 0.04 -1.26 -0.67 135.00 137.90 1ozb s PRO 45 Ca 0.27 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1ozb s PRO 45 Cb -0.05 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 31.45 1ozb s PRO 45 CO -0.14 0.06 -0.07 0.15 0.04 0.00 0.00 177.00 177.04 1ozb s LYS 46 N -1.64 1.79 -0.21 4.56 1.02 0.13 -4.86 119.74 120.53 1ozb s LYS 46 Ca 0.47 -0.92 -0.17 0.00 0.02 0.00 0.00 55.97 55.37 1ozb s LYS 46 Cb -0.33 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1ozb s LYS 46 CO 0.43 -0.52 0.46 -1.17 -0.92 0.00 0.00 175.35 173.63 1ozb s LEU 47 N 1.40 4.13 -0.22 3.17 2.96 -1.26 -1.54 118.68 127.32 1ozb s LEU 47 Ca -0.04 0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1ozb s LEU 47 Cb -0.18 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1ozb s LEU 47 CO -0.07 -0.15 0.00 -0.83 -1.32 0.00 0.00 176.35 173.99 1ozb s GLY 48 N 1.18 1.69 -0.19 7.98 0.00 0.21 -4.97 107.32 113.22 1ozb s GLY 48 Ca 0.21 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.84 1ozb s GLY 48 CO 0.09 0.39 -0.12 -0.12 0.00 0.00 0.00 173.10 173.34 1ozb s PHE 49 N 1.36 2.47 0.01 1.90 5.36 -1.26 -0.28 117.98 127.54 1ozb s PHE 49 Ca 0.04 -1.58 0.04 0.00 -0.96 0.00 0.00 56.93 54.48 1ozb s PHE 49 Cb -0.15 -1.69 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1ozb s PHE 49 CO 0.00 -0.75 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.41 1ozb s ASP 50 N 1.38 4.36 -0.05 6.13 1.01 0.11 -4.98 116.67 124.63 1ozb s ASP 50 Ca 0.00 -0.22 -0.12 0.00 0.71 0.00 0.00 52.55 52.92 1ozb s ASP 50 Cb -0.15 -0.94 0.02 0.00 1.01 0.00 0.00 42.92 42.86 1ozb s ASP 50 CO -0.09 0.28 0.28 -0.22 0.21 0.00 0.00 175.17 175.63 1ozb s LEU 51 N -1.36 0.97 0.01 1.23 0.20 -1.26 -0.79 118.68 117.69 1ozb s LEU 51 Ca 0.16 0.23 -0.28 0.00 0.69 0.00 0.00 54.13 54.92 1ozb s LEU 51 Cb -0.11 1.08 0.10 0.00 -0.43 0.00 0.00 46.19 46.83 1ozb s LEU 51 CO 0.06 -0.31 0.85 -0.94 -0.29 0.00 0.00 176.35 175.73 1ozb s SER 52 N -0.79 -0.39 0.16 3.68 1.04 -0.57 -5.01 113.70 111.81 1ozb s SER 52 Ca -0.09 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.41 1ozb s SER 52 Cb -0.04 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1ozb s SER 52 CO 0.02 -0.66 -0.09 0.42 0.98 0.00 0.00 173.24 173.92 1ozb s THR 53 N -3.13 1.18 -0.14 2.02 -4.23 -1.26 0.24 115.64 110.32 1ozb s THR 53 Ca 0.04 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.28 1ozb s THR 53 Cb -0.01 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.96 1ozb s THR 53 CO -0.09 -0.69 0.53 -1.83 -0.54 0.00 0.00 174.62 172.00 1ozb s GLU 54 N -3.76 0.72 0.20 3.99 -1.05 -0.69 -4.99 118.70 113.12 1ozb s GLU 54 Ca 0.18 0.51 0.11 0.00 -0.15 0.00 0.00 54.97 55.62 1ozb s GLU 54 Cb 0.03 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1ozb s GLU 54 CO 0.02 -0.14 -0.19 0.99 0.95 0.00 0.00 175.26 176.88 1ozb s THR 55 N -0.25 2.60 -0.15 1.83 2.01 -1.26 -0.93 115.64 119.49 1ozb s THR 55 Ca -0.04 -1.98 -0.07 0.00 0.31 0.00 0.00 61.69 59.91 1ozb s THR 55 Cb -0.03 -2.28 0.06 0.00 0.01 0.00 0.00 72.50 70.26 1ozb s THR 55 CO 0.03 -0.16 0.33 -0.89 -0.69 0.00 0.00 174.62 173.25 1ozb s THR 56 N -1.80 -0.18 -0.00 -0.82 2.01 -0.68 -4.99 115.64 109.18 1ozb s THR 56 Ca 0.23 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 1ozb s THR 56 Cb -0.08 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1ozb s THR 56 CO 0.12 0.06 1.21 -1.58 -0.69 0.00 0.00 174.62 173.74 1ozb s GLN 57 N 1.70 4.38 0.00 4.92 0.74 -1.26 -0.36 119.66 129.78 1ozb s GLN 57 Ca -0.07 1.73 0.03 0.00 0.05 0.00 0.00 55.36 57.10 1ozb s GLN 57 Cb -0.10 -3.48 0.04 0.00 1.10 0.00 0.00 33.01 30.57 1ozb s GLN 57 CO -0.11 -0.37 0.71 0.28 -0.55 0.00 0.00 175.29 175.25 1ozb n VAL 58 N 4.33 0.24 -2.43 1.34 0.31 0.92 -4.91 118.33 118.14 1ozb n VAL 58 Ca 0.10 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1ozb n VAL 58 Cb 0.46 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.32 1ozb n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ozb n GLY 59 N 0.07 -1.30 3.64 2.92 0.00 -0.96 -4.94 105.19 104.62 1ozb n GLY 59 Ca 0.02 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.06 6.75 -1.16 1.61 1.01 -1.26 -2.48 116.67 118.09 1ozb s ASP 60 Ca 0.00 1.49 0.00 0.00 0.71 0.00 0.00 52.55 54.75 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 -0.96 0.00 0.47 0.21 0.00 0.00 175.17 174.89 1ozb n ASP 61 N 7.28 -5.28 -4.32 0.27 10.43 -1.26 -4.95 116.55 118.72 1ozb n ASP 61 Ca 0.15 0.27 -0.35 0.00 2.57 0.00 0.00 54.79 57.43 1ozb n ASP 61 Cb 0.46 -3.74 -0.14 0.00 1.84 0.00 0.00 41.12 39.54 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 -2.48 3.03 -0.03 0.64 1.43 -1.03 -0.60 118.68 119.63 1ozb s LEU 62 Ca 0.00 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1ozb s LEU 62 Cb 0.00 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1ozb s LEU 62 CO 0.00 -0.04 -0.15 -0.31 0.23 0.00 0.00 176.35 176.08 1ozb s TYR 63 N 1.48 1.42 -0.32 0.29 1.51 0.49 -0.05 117.35 122.18 1ozb s TYR 63 Ca 0.05 -0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 1ozb s TYR 63 Cb -0.15 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1ozb s TYR 63 CO -0.02 -0.10 0.20 -2.00 -1.11 0.00 0.00 175.55 172.52 1ozb s GLU 64 N -0.09 3.55 -0.19 -0.62 2.12 0.51 0.33 118.70 124.31 1ozb s GLU 64 Ca 0.00 -0.60 -0.08 0.00 0.36 0.00 0.00 54.97 54.65 1ozb s GLU 64 Cb -0.09 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 1ozb s GLU 64 CO 0.01 -0.38 0.09 0.08 -0.54 0.00 0.00 175.26 174.52 1ozb s VAL 65 N 1.70 5.00 -0.13 3.70 1.01 0.11 -1.68 120.40 130.11 1ozb s VAL 65 Ca 0.06 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1ozb s VAL 65 Cb -0.17 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ozb s VAL 65 CO 0.09 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 1ozb s VAL 66 N 0.47 2.53 -0.30 2.92 1.01 -0.10 -1.51 120.40 125.41 1ozb s VAL 66 Ca 0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1ozb s VAL 66 Cb -0.12 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1ozb s VAL 66 CO 0.00 0.53 0.14 -0.22 0.00 0.00 0.00 175.10 175.56 1ozb s LEU 67 N 0.58 4.00 -0.26 3.92 2.96 0.14 -1.71 118.68 128.31 1ozb s LEU 67 Ca -0.10 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.27 1ozb s LEU 67 Cb -0.16 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1ozb s LEU 67 CO 0.03 -0.16 0.18 0.20 -1.32 0.00 0.00 176.35 175.28 1ozb s ASN 68 N 1.63 6.06 -0.06 3.68 0.01 0.14 -1.25 114.94 125.14 1ozb s ASN 68 Ca 0.05 0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.27 1ozb s ASN 68 Cb -0.17 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1ozb s ASN 68 CO 0.06 -0.00 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.86 1ozb s ILE 69 N 1.47 1.41 -0.07 0.60 1.01 0.04 -1.52 121.20 124.14 1ozb s ILE 69 Ca 0.07 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1ozb s ILE 69 Cb -0.15 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1ozb s ILE 69 CO 0.08 0.41 -0.12 -0.55 0.00 0.00 0.00 174.94 174.77 1ozb s SER 70 N 0.34 1.80 -0.04 3.58 0.15 0.03 -0.14 113.70 119.42 1ozb s SER 70 Ca -0.11 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1ozb s SER 70 Cb -0.14 -0.82 0.02 0.00 -1.71 0.00 0.00 66.02 63.37 1ozb s SER 70 CO 0.04 0.02 -0.04 -0.69 1.20 0.00 0.00 173.24 173.77 1ozb s VAL 71 N 0.77 0.49 -0.05 4.45 1.01 0.15 0.07 120.40 127.29 1ozb s VAL 71 Ca -0.13 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ozb s VAL 71 Cb -0.15 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1ozb s VAL 71 CO 0.02 0.22 -0.06 -0.70 0.00 0.00 0.00 175.10 174.58 1ozb s GLU 72 N 0.99 1.05 -0.11 2.72 2.12 0.62 0.75 118.70 126.84 1ozb s GLU 72 Ca -0.10 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.09 1ozb s GLU 72 Cb -0.14 -1.01 -0.00 0.00 0.26 0.00 0.00 34.13 33.24 1ozb s GLU 72 CO -0.00 -0.08 -0.22 0.99 -0.54 0.00 0.00 175.26 175.41 1ozb s THR 73 N 0.95 2.22 0.12 -1.70 2.01 -0.28 0.65 115.64 119.61 1ozb s THR 73 Ca -0.10 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.01 1ozb s THR 73 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1ozb s THR 73 CO 0.00 0.55 -0.15 0.42 -0.69 0.00 0.00 174.62 174.75 1ozb s THR 74 N 0.45 1.43 -0.10 -0.82 -4.23 -0.59 0.02 115.64 111.79 1ozb s THR 74 Ca -0.15 -1.71 -0.21 0.00 -1.18 0.00 0.00 61.69 58.43 1ozb s THR 74 Cb -0.17 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 1ozb s THR 74 CO 0.06 -0.36 0.62 -0.76 -0.54 0.00 0.00 174.62 173.64 1ozb s LEU 75 N -2.40 4.28 0.13 4.79 2.01 -0.52 0.21 118.68 127.18 1ozb s LEU 75 Ca 0.09 1.02 -0.13 0.00 0.01 0.00 0.00 54.13 55.11 1ozb s LEU 75 Cb -0.06 -2.93 -0.02 0.00 0.01 0.00 0.00 46.19 43.20 1ozb s LEU 75 CO 0.04 -0.10 1.54 1.05 1.01 0.00 0.00 176.35 179.89 1ozb h GLU 76 N 6.85 0.81 -1.49 1.70 4.11 -1.23 0.29 114.58 125.62 1ozb h GLU 76 Ca -0.40 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 58.73 1ozb h GLU 76 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ozb h GLU 76 CO 0.76 0.93 0.00 -0.40 0.07 0.00 0.00 179.01 180.37 1ozb n ASP 77 N -4.31 3.77 0.00 3.06 3.85 -1.26 -3.36 116.55 118.30 1ozb n ASP 77 Ca -0.01 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 1ozb n ASP 77 Cb 0.37 -0.73 0.00 0.00 -1.35 0.00 0.00 41.12 39.41 1ozb n ASP 77 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1ozb n SER 78 N 0.98 0.00 0.00 -1.12 2.88 -1.20 -5.02 113.62 110.14 1ozb n SER 78 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ozb n SER 78 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1ozb n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ozb n GLY 79 N -0.15 2.42 3.72 0.46 0.00 0.10 -4.98 105.19 106.75 1ozb n GLY 79 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 2.75 -4.69 1.61 10.43 -1.25 -4.65 116.55 120.76 1ozb n ASP 80 Ca 0.00 1.10 -0.42 0.00 2.57 0.00 0.00 54.79 58.04 1ozb n ASP 80 Cb 0.00 -1.53 -0.04 0.00 1.84 0.00 0.00 41.12 41.39 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 -1.21 4.87 -0.12 2.53 1.01 -1.26 -1.44 120.40 124.78 1ozb s VAL 81 Ca 0.62 1.79 -0.19 0.00 0.00 0.00 0.00 61.98 64.19 1ozb s VAL 81 Cb -0.48 -4.20 -0.17 0.00 0.00 0.00 0.00 36.38 31.53 1ozb s VAL 81 CO 0.57 0.07 0.52 0.00 0.00 0.00 0.00 175.10 176.26 1ozb h ALA 82 N 7.11 -0.00 -2.25 5.51 0.00 -0.75 -3.39 119.26 125.49 1ozb h ALA 82 Ca -0.33 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1ozb h ALA 82 Cb 1.16 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 1ozb h ALA 82 CO 0.82 -0.01 0.33 -0.59 0.00 0.00 0.00 179.25 179.80 1ozb s PHE 83 N -2.03 -0.51 -0.05 0.00 -0.12 -1.11 -4.49 117.98 109.68 1ozb s PHE 83 Ca -0.13 0.62 0.03 0.00 -0.05 0.00 0.00 56.93 57.41 1ozb s PHE 83 Cb -0.02 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1ozb s PHE 83 CO 0.46 -0.61 -0.13 0.42 -0.05 0.00 0.00 175.22 175.31 1ozb s ILE 84 N -2.28 1.12 -0.08 -4.49 1.01 -0.14 -1.13 121.20 115.22 1ozb s ILE 84 Ca -0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 1ozb s ILE 84 Cb -0.01 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.49 1ozb s ILE 84 CO -0.02 0.34 -0.04 0.00 0.00 0.00 0.00 174.94 175.23 1ozb s GLU 86 N 1.59 2.76 -0.00 0.00 2.02 0.17 0.32 118.70 125.56 1ozb s GLU 86 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1ozb s GLU 86 Cb -0.13 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 1ozb s GLU 86 CO -0.04 0.17 -0.06 0.08 0.02 0.00 0.00 175.26 175.43 1ozb s VAL 87 N 0.35 0.44 -0.48 2.63 1.01 0.81 -0.90 120.40 124.26 1ozb s VAL 87 Ca -0.17 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1ozb s VAL 87 Cb -0.17 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 35.94 1ozb s VAL 87 CO 0.08 0.08 0.22 -0.75 0.00 0.00 0.00 175.10 174.73 1ozb s LYS 88 N -0.25 1.84 -0.14 2.72 2.20 0.02 -0.78 119.74 125.35 1ozb s LYS 88 Ca 0.01 -2.44 -0.18 0.00 -0.36 0.00 0.00 55.97 53.00 1ozb s LYS 88 Cb -0.03 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1ozb s LYS 88 CO -0.00 -1.08 0.48 -1.14 -0.36 0.00 0.00 175.35 173.25 1ozb s GLN 89 N -0.02 4.31 0.21 4.03 2.00 -0.38 -1.15 119.66 128.65 1ozb s GLN 89 Ca 0.16 0.43 0.03 0.00 -2.00 0.00 0.00 55.36 53.98 1ozb s GLN 89 Cb -0.25 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.05 1ozb s GLN 89 CO -0.02 0.10 -0.01 0.00 -0.50 0.00 0.00 175.29 174.86 1ozb s ALA 90 N 0.83 1.65 -0.07 1.58 0.00 0.40 0.26 121.76 126.41 1ozb s ALA 90 Ca 0.25 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1ozb s ALA 90 Cb -0.15 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1ozb s ALA 90 CO 0.10 -0.26 0.45 0.20 0.00 0.00 0.00 175.76 176.25 1ozb s GLY 91 N -3.26 -0.32 -0.23 0.00 0.00 -0.57 -1.09 107.32 101.86 1ozb s GLY 91 Ca 0.26 0.87 -0.08 0.00 0.00 0.00 0.00 44.72 45.77 1ozb s GLY 91 CO 0.07 0.63 0.08 0.14 0.00 0.00 0.00 173.10 174.01 1ozb s VAL 92 N -0.82 4.52 0.12 1.40 1.01 0.78 -0.71 120.40 126.69 1ozb s VAL 92 Ca -0.09 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 61.88 1ozb s VAL 92 Cb -0.03 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1ozb s VAL 92 CO 0.05 0.36 -0.22 -0.36 0.00 0.00 0.00 175.10 174.93 1ozb s PHE 93 N 1.30 2.44 -0.36 5.22 0.40 0.15 -0.13 117.98 127.00 1ozb s PHE 93 Ca 0.05 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 1ozb s PHE 93 Cb -0.15 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.08 1ozb s PHE 93 CO 0.04 0.36 0.23 0.99 0.70 0.00 0.00 175.22 177.53 1ozb s THR 94 N -1.10 4.89 -0.06 0.64 2.01 0.75 -0.38 115.64 122.40 1ozb s THR 94 Ca 0.16 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1ozb s THR 94 Cb -0.10 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1ozb s THR 94 CO 0.08 -0.15 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.09 1ozb s ILE 95 N 1.63 1.20 -0.09 1.82 1.01 0.23 -1.07 121.20 125.94 1ozb s ILE 95 Ca 0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1ozb s ILE 95 Cb -0.18 -1.07 0.10 0.00 0.01 0.00 0.00 42.46 41.31 1ozb s ILE 95 CO 0.08 0.36 0.85 -0.94 0.00 0.00 0.00 174.94 175.29 1ozb s SER 96 N 0.43 -0.49 0.00 3.58 1.04 -0.44 -4.62 113.70 113.20 1ozb s SER 96 Ca -0.11 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1ozb s SER 96 Cb -0.14 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1ozb s SER 96 CO 0.03 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1ozb n GLY 97 N 0.64 0.93 2.98 7.32 0.00 -1.26 -1.90 105.19 113.91 1ozb n GLY 97 Ca -0.14 -0.44 -0.19 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 -0.72 1.78 0.75 0.99 1.43 -1.26 -2.71 118.68 118.94 1ozb s LEU 98 Ca 0.00 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 1ozb s LEU 98 Cb 0.00 -0.48 0.05 0.00 0.03 0.00 0.00 46.19 45.79 1ozb s LEU 98 CO 0.00 0.05 1.13 -1.61 0.23 0.00 0.00 176.35 176.15 1ozb s GLU 99 N 0.20 2.22 0.28 1.70 8.01 -1.26 -4.56 118.70 125.29 1ozb s GLU 99 Ca -0.03 1.43 -0.01 0.00 0.01 0.00 0.00 54.97 56.38 1ozb s GLU 99 Cb -0.08 -1.88 0.63 0.00 -4.31 0.00 0.00 34.13 28.50 1ozb s GLU 99 CO 0.00 -1.70 1.44 -0.25 0.01 0.00 0.00 175.26 174.76 1ozb n ASP 100 N -3.08 -0.17 -0.04 -0.19 10.43 -1.26 -0.68 116.55 121.57 1ozb n ASP 100 Ca 0.11 1.57 -0.14 0.00 2.57 0.00 0.00 54.79 58.90 1ozb n ASP 100 Cb 0.52 -0.55 -0.09 0.00 1.84 0.00 0.00 41.12 42.84 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 1.42 -0.95 2.53 2.07 -1.99 -1.98 116.25 117.35 1ozb h VAL 101 Ca 0.53 -1.62 0.10 0.00 0.82 0.00 0.00 66.70 66.53 1ozb h VAL 101 Cb 1.03 2.26 -0.08 0.00 -1.52 0.00 0.00 31.29 32.98 1ozb h VAL 101 CO -0.89 0.46 0.59 1.56 0.02 0.00 0.00 177.57 179.31 1ozb h GLN 102 N -0.18 0.94 -0.54 1.57 7.50 -1.44 -0.61 115.11 122.35 1ozb h GLN 102 Ca -0.01 -0.06 -0.11 0.00 0.50 0.00 0.00 58.65 58.97 1ozb h GLN 102 Cb 0.88 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 1ozb h GLN 102 CO 0.05 0.62 -0.11 1.98 -1.50 0.00 0.00 178.83 179.88 1ozb h MET 103 N 0.97 1.02 -0.56 1.46 4.05 -0.90 -1.64 114.93 119.34 1ozb h MET 103 Ca 0.45 -0.38 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1ozb h MET 103 Cb 0.39 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1ozb h MET 103 CO -0.24 1.07 0.05 0.00 0.23 0.00 0.00 176.91 178.02 1ozb h ALA 104 N 0.92 1.03 -0.42 0.39 0.00 -0.49 -0.82 119.26 119.88 1ozb h ALA 104 Ca 0.14 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1ozb h ALA 104 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ozb h ALA 104 CO 0.05 0.61 -0.26 1.25 0.00 0.00 0.00 179.25 180.89 1ozb h HIS 105 N 0.86 1.02 -0.56 0.00 6.17 -1.01 -1.76 115.15 119.88 1ozb h HIS 105 Ca 0.17 -0.26 -0.04 0.00 0.71 0.00 0.00 60.37 60.95 1ozb h HIS 105 Cb 0.44 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.11 1ozb h HIS 105 CO 0.03 1.04 0.20 0.00 0.71 0.00 0.00 177.93 179.91 1ozb h LEU 107 N 0.78 0.00 -0.22 0.00 3.38 -1.07 -0.28 115.31 117.90 1ozb h LEU 107 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ozb h LEU 107 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ozb h LEU 107 CO -0.01 0.53 -0.53 0.35 0.09 0.00 0.00 178.44 178.86 1ozb n THR 108 N -3.29 0.00 0.05 0.22 -2.24 -0.67 -4.51 114.28 103.84 1ozb n THR 108 Ca 0.01 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1ozb n THR 108 Cb 0.71 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 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 -1.01 0.28 0.14 3.42 2.88 0.23 -4.45 113.62 115.12 1ozb n SER 109 Ca 0.03 0.16 -0.14 0.00 -1.33 0.00 0.00 58.87 57.59 1ozb n SER 109 Cb 0.23 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.59 0.01 -1.46 4.20 -1.39 -0.82 115.11 115.06 1ozb h GLN 110 Ca 0.00 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ozb h GLN 110 Cb 0.00 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1ozb h GLN 110 CO 0.00 -0.39 -0.01 0.00 -0.67 0.00 0.00 178.83 177.76 1ozb h PRO 112 N -0.26 0.58 -0.05 0.00 0.11 -1.78 0.29 132.00 130.88 1ozb h PRO 112 Ca -0.00 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1ozb h PRO 112 Cb 0.26 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1ozb h PRO 112 CO 0.00 0.38 -0.39 -0.97 -0.21 0.00 0.00 178.00 176.81 1ozb h ASN 113 N 0.60 0.10 0.37 -2.05 -0.73 -0.89 -0.96 115.58 112.03 1ozb h ASN 113 Ca 0.38 -0.04 -0.16 0.00 1.87 0.00 0.00 56.30 58.36 1ozb h ASN 113 Cb 0.66 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 1ozb h ASN 113 CO -0.15 0.49 -0.65 0.24 -0.37 0.00 0.00 177.43 176.99 1ozb h MET 114 N 0.09 0.26 0.00 6.67 2.86 -0.49 -3.22 114.93 121.11 1ozb h MET 114 Ca 0.01 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1ozb h MET 114 Cb 0.74 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1ozb h MET 114 CO 0.06 0.83 -0.24 -0.07 1.06 0.00 0.00 176.91 178.54 1ozb h LEU 115 N 0.19 0.00 0.08 1.22 3.38 -0.85 -3.38 115.31 115.95 1ozb h LEU 115 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ozb h LEU 115 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1ozb h LEU 115 CO 0.10 0.24 -0.29 0.15 0.09 0.00 0.00 178.44 178.73 1ozb h PHE 116 N 0.00 -0.80 -0.46 1.13 3.57 -1.19 -2.25 116.94 116.94 1ozb h PHE 116 Ca -0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1ozb h PHE 116 Cb 1.17 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1ozb h PHE 116 CO 0.00 -0.39 0.38 -1.00 -2.23 0.00 0.00 178.31 175.07 1ozb h PRO 117 N -0.49 0.00 -0.07 6.41 0.13 -1.76 0.56 132.00 136.78 1ozb h PRO 117 Ca 0.04 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.98 1ozb h PRO 117 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 1ozb h PRO 117 CO -0.20 0.00 -0.71 1.88 -0.23 0.00 0.00 178.00 178.74 1ozb h TYR 118 N 0.00 0.85 -0.56 1.56 -1.99 -1.66 -2.47 116.97 112.70 1ozb h TYR 118 Ca 0.22 -0.41 -0.07 0.00 2.00 0.00 0.00 58.73 60.47 1ozb h TYR 118 Cb 0.99 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 1ozb h TYR 118 CO 0.00 1.22 0.06 0.00 -0.00 0.00 0.00 178.16 179.44 1ozb h ALA 119 N 0.44 1.05 0.12 3.88 0.00 -0.16 -1.96 119.26 122.64 1ozb h ALA 119 Ca -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ozb h ALA 119 Cb 1.37 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1ozb h ALA 119 CO 0.14 0.60 -0.28 -0.09 0.00 0.00 0.00 179.25 179.63 1ozb h ARG 120 N 0.86 -0.48 -0.56 0.00 2.43 0.03 -0.41 114.38 116.25 1ozb h ARG 120 Ca 0.17 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1ozb h ARG 120 Cb 0.43 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1ozb h ARG 120 CO 0.01 -0.32 0.37 1.49 -1.51 0.00 0.00 179.97 180.02 1ozb h GLU 121 N -0.50 0.72 -0.09 0.20 4.22 -1.25 -0.70 114.58 117.19 1ozb h GLU 121 Ca 0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1ozb h GLU 121 Cb 0.52 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ozb h GLU 121 CO -0.16 0.48 0.02 1.25 -2.18 0.00 0.00 179.01 178.41 1ozb h LEU 122 N 0.75 0.13 -0.41 1.64 5.85 -0.74 0.21 115.31 122.73 1ozb h LEU 122 Ca 0.21 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ozb h LEU 122 Cb -0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1ozb h LEU 122 CO -0.05 0.35 0.23 0.58 -0.34 0.00 0.00 178.44 179.22 1ozb h VAL 123 N -0.09 1.02 -0.09 1.05 2.07 -0.68 -1.40 116.25 118.13 1ozb h VAL 123 Ca 0.03 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1ozb h VAL 123 Cb 0.28 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1ozb h VAL 123 CO 0.00 0.08 -0.11 -1.28 0.02 0.00 0.00 177.57 176.29 1ozb h SER 124 N 0.46 -0.34 -0.13 0.57 0.87 -1.02 -0.46 113.55 113.51 1ozb h SER 124 Ca 0.17 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1ozb h SER 124 Cb 0.03 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1ozb h SER 124 CO -0.09 -0.15 -0.04 -1.13 -0.53 0.00 0.00 176.83 174.89 1ozb h ASN 125 N -0.14 -0.14 -0.46 6.23 -0.73 -0.59 -1.33 115.58 118.41 1ozb h ASN 125 Ca 0.07 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 1ozb h ASN 125 Cb 0.24 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.91 1ozb h ASN 125 CO -0.17 -0.05 0.19 -0.07 -0.37 0.00 0.00 177.43 176.95 1ozb h LEU 126 N -0.01 0.63 -0.88 0.34 3.38 -1.02 -2.43 115.31 115.32 1ozb h LEU 126 Ca 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ozb h LEU 126 Cb 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1ozb h LEU 126 CO -0.14 0.62 0.56 0.58 0.09 0.00 0.00 178.44 180.15 1ozb h VAL 127 N 0.60 1.23 -0.56 1.22 2.07 -0.88 -1.79 116.25 118.14 1ozb h VAL 127 Ca 0.15 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1ozb h VAL 127 Cb 0.19 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1ozb h VAL 127 CO -0.01 0.23 0.28 -1.13 0.02 0.00 0.00 177.57 176.96 1ozb h ASN 128 N 1.19 0.69 0.44 0.57 -1.24 -1.00 -1.44 115.58 114.80 1ozb h ASN 128 Ca 0.32 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1ozb h ASN 128 Cb -0.11 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.77 1ozb h ASN 128 CO -0.07 0.57 0.00 0.03 -1.29 0.00 0.00 177.43 176.68 1ozb h ARG 129 N 0.78 0.00 -0.21 6.67 3.08 -0.84 0.14 114.38 123.99 1ozb h ARG 129 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1ozb h ARG 129 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ozb h ARG 129 CO -0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 1ozb n GLY 130 N -0.60 0.85 2.72 0.04 0.00 -0.55 -4.93 105.19 102.71 1ozb n GLY 130 Ca -0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 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 0.84 -1.53 -3.43 2.61 -2.24 0.48 -5.01 114.28 105.99 1ozb n THR 131 Ca 0.17 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.69 1ozb n THR 131 Cb 0.46 -3.18 -0.02 0.00 -2.10 0.00 0.00 70.33 65.49 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 -3.09 3.49 0.47 4.78 0.40 -1.15 -5.03 117.98 117.85 1ozb s PHE 132 Ca 0.17 0.44 -0.24 0.00 -0.60 0.00 0.00 56.93 56.70 1ozb s PHE 132 Cb -0.08 -1.95 -0.08 0.00 0.51 0.00 0.00 43.02 41.43 1ozb s PHE 132 CO 0.21 0.19 1.39 -0.35 0.70 0.00 0.00 175.22 177.36 1ozb n PRO 133 N -1.28 2.05 -1.46 0.24 -0.04 -1.26 -4.58 135.00 128.67 1ozb n PRO 133 Ca -0.04 0.73 -0.49 0.00 -0.04 0.00 0.00 63.50 63.67 1ozb n PRO 133 Cb 0.55 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1ozb n PRO 133 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ozb n ALA 134 N -0.44 -2.41 -3.80 0.55 0.00 -1.26 -4.93 120.51 108.21 1ozb n ALA 134 Ca 0.07 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.67 1ozb n ALA 134 Cb 0.42 -1.72 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 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 2.05 2.22 -0.50 0.00 2.96 -1.26 -5.08 118.68 119.07 1ozb s LEU 135 Ca 0.67 -1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1ozb s LEU 135 Cb -0.93 -0.92 0.13 0.00 0.50 0.00 0.00 46.19 44.97 1ozb s LEU 135 CO 0.56 -0.35 0.30 0.20 -1.32 0.00 0.00 176.35 175.75 1ozb s ASN 136 N 1.58 5.17 -0.00 3.68 0.01 -1.26 -4.11 114.94 120.01 1ozb s ASN 136 Ca 0.04 -2.44 -0.40 0.00 -0.71 0.00 0.00 52.86 49.35 1ozb s ASN 136 Cb -0.18 -1.82 -0.20 0.00 0.41 0.00 0.00 41.25 39.46 1ozb s ASN 136 CO -0.16 -0.45 1.08 0.18 -1.51 0.00 0.00 177.10 176.25 1ozb n LEU 137 N 4.03 0.03 -4.78 0.60 4.77 -1.26 -4.91 117.00 115.48 1ozb n LEU 137 Ca 0.03 1.16 -0.34 0.00 -0.03 0.00 0.00 56.01 56.82 1ozb n LEU 137 Cb 0.39 -0.92 -0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1ozb n LEU 137 CO 0.33 -1.88 0.75 -0.94 -1.33 0.00 0.00 177.39 174.31 1ozb s SER 138 N 0.04 5.82 0.42 -1.43 1.04 -1.26 -4.95 113.70 113.37 1ozb s SER 138 Ca 0.91 2.03 -0.25 0.00 0.48 0.00 0.00 55.95 59.12 1ozb s SER 138 Cb -1.27 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 62.19 1ozb s SER 138 CO 0.57 -1.15 1.06 -2.65 0.98 0.00 0.00 173.24 172.06 1ozb n PRO 139 N -1.48 1.46 -4.88 4.02 -0.02 -1.26 -4.99 135.00 127.85 1ozb n PRO 139 Ca 0.10 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 1ozb n PRO 139 Cb 0.52 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.25 2.99 -0.45 -1.45 1.01 -1.26 -5.08 120.40 114.91 1ozb s VAL 140 Ca 0.63 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1ozb s VAL 140 Cb -0.55 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1ozb s VAL 140 CO 0.57 0.56 0.56 0.21 0.00 0.00 0.00 175.10 177.00 1ozb s ASN 141 N -0.82 6.26 0.20 3.32 3.84 -1.26 -4.90 114.94 121.58 1ozb s ASN 141 Ca 0.12 -0.58 0.14 0.00 0.21 0.00 0.00 52.86 52.75 1ozb s ASN 141 Cb -0.11 -2.28 -0.03 0.00 -0.55 0.00 0.00 41.25 38.29 1ozb s ASN 141 CO 0.01 -0.73 1.29 -0.26 -2.79 0.00 0.00 177.10 174.62 1ozb h PHE 142 N 8.85 0.00 -0.94 0.43 -1.00 -1.91 -3.25 116.94 119.12 1ozb h PHE 142 Ca -0.26 0.00 0.23 0.00 2.81 0.00 0.00 57.97 60.74 1ozb h PHE 142 Cb 1.10 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.54 1ozb h PHE 142 CO 0.69 0.62 0.48 -0.44 -1.61 0.00 0.00 178.31 178.06 1ozb h ASP 143 N 0.00 0.49 -0.85 2.17 3.32 -1.89 0.78 116.42 120.43 1ozb h ASP 143 Ca -0.04 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ozb h ASP 143 Cb 1.51 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 41.10 1ozb h ASP 143 CO 0.07 0.06 0.52 0.00 -1.72 0.00 0.00 179.24 178.17 1ozb h ALA 144 N 1.71 1.30 -0.04 3.45 0.00 -1.97 -1.06 119.26 122.65 1ozb h ALA 144 Ca 0.59 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 1ozb h ALA 144 Cb 1.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ozb h ALA 144 CO -0.49 0.60 -0.39 -0.07 0.00 0.00 0.00 179.25 178.90 1ozb h LEU 145 N 1.18 0.08 -0.66 0.00 3.38 0.33 -2.31 115.31 117.31 1ozb h LEU 145 Ca 0.31 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1ozb h LEU 145 Cb -0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ozb h LEU 145 CO -0.06 0.46 0.04 0.15 0.09 0.00 0.00 178.44 179.13 1ozb h PHE 146 N 0.07 1.17 -0.35 1.13 3.57 0.23 -1.67 116.94 121.08 1ozb h PHE 146 Ca 0.00 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 1ozb h PHE 146 Cb 0.72 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1ozb h PHE 146 CO 0.00 1.01 -0.10 0.28 -2.23 0.00 0.00 178.31 177.28 1ozb h VAL 147 N 1.00 1.24 -0.50 1.41 2.07 -0.79 -2.03 116.25 118.65 1ozb h VAL 147 Ca 0.19 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 1ozb h VAL 147 Cb 0.51 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1ozb h VAL 147 CO 0.02 0.35 0.02 -0.33 0.02 0.00 0.00 177.57 177.65 1ozb h GLU 148 N 0.55 0.88 0.01 1.57 5.08 -1.03 -1.61 114.58 120.03 1ozb h GLU 148 Ca 0.10 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1ozb h GLU 148 Cb 0.50 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ozb h GLU 148 CO 0.03 0.90 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.90 1ozb h TYR 149 N 0.74 -0.29 0.35 4.33 3.20 -0.89 -0.26 116.97 124.15 1ozb h TYR 149 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1ozb h TYR 149 Cb 0.49 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1ozb h TYR 149 CO 0.04 -0.17 -0.41 0.52 -1.64 0.00 0.00 178.16 176.49 1ozb h MET 150 N -0.20 -0.75 -0.97 1.82 2.86 -1.24 -1.56 114.93 114.89 1ozb h MET 150 Ca 0.04 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 57.96 1ozb h MET 150 Cb 0.24 0.17 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 1ozb h MET 150 CO -0.11 -0.50 0.63 -0.91 1.06 0.00 0.00 176.91 177.09 1ozb h ASN 151 N -0.78 0.47 1.62 1.22 -0.26 -1.19 0.34 115.58 117.00 1ozb h ASN 151 Ca -0.04 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1ozb h ASN 151 Cb 0.69 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1ozb h ASN 151 CO -0.09 0.15 0.00 0.03 -1.06 0.00 0.00 177.43 176.46 1ozb h ARG 152 N 0.45 0.00 0.10 0.81 3.08 -0.67 -3.03 114.38 115.11 1ozb h ARG 152 Ca 0.53 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.26 1ozb h ARG 152 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1ozb h ARG 152 CO -0.25 0.00 -1.74 0.37 -1.07 0.00 0.00 179.97 177.29 1ozb h GLN 153 N 0.00 0.21 0.00 0.04 4.15 0.57 -2.69 115.11 117.39 1ozb h GLN 153 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1ozb h GLN 153 Cb 0.81 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1ozb h GLN 153 CO 0.00 1.03 0.00 1.04 -1.93 0.00 0.00 178.83 178.97 1ozb n GLN 154 N -3.39 0.13 -0.03 1.69 1.13 0.04 -0.90 117.38 116.05 1ozb n GLN 154 Ca -0.22 0.45 -0.21 0.00 -1.94 0.00 0.00 57.00 55.07 1ozb n GLN 154 Cb 1.05 -1.80 -0.13 0.00 0.11 0.00 0.00 30.24 29.47 1ozb n GLN 154 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ozb n ALA 155 N -1.70 1.00 -0.01 -1.58 0.00 -1.15 -3.88 120.51 113.18 1ozb n ALA 155 Ca 0.01 -0.70 -0.16 0.00 0.00 0.00 0.00 53.44 52.59 1ozb n ALA 155 Cb 0.16 -0.53 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 1ozb n ALA 155 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ozb h GLU 156 N -0.06 0.22 0.00 0.00 -0.00 -1.11 -3.17 114.58 110.47 1ozb h GLU 156 Ca -0.46 -0.27 0.00 0.00 -0.00 0.00 0.00 59.36 58.63 1ozb h GLU 156 Cb 1.94 0.08 0.00 0.00 -0.00 0.00 0.00 28.75 30.77 1ozb h GLU 156 CO 0.01 1.01 0.00 0.27 -0.00 0.00 0.00 179.01 180.31 1ozb n ASN 157 N -4.40 0.04 -3.61 3.06 2.04 -0.08 -3.28 115.26 109.03 1ozb n ASN 157 Ca -0.10 0.52 -0.33 0.00 -0.44 0.00 0.00 54.58 54.22 1ozb n ASN 157 Cb 0.58 -0.52 -0.05 0.00 -2.53 0.00 0.00 39.78 37.26 1ozb n ASN 157 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ozb n ALA 158 N -1.52 4.49 -0.04 -2.53 0.00 -1.20 -5.07 120.51 114.65 1ozb n ALA 158 Ca 0.01 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 48.67 1ozb n ALA 158 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ozb n ALA 158 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89