#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 0.21 -0.30 0.58 1.01 -0.51 -5.01 120.40 116.38 1ozb s VAL 17 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1ozb s VAL 17 Cb 0.00 -0.40 0.11 0.00 0.00 0.00 0.00 36.38 36.09 1ozb s VAL 17 CO 0.00 0.23 0.18 -0.22 0.00 0.00 0.00 175.10 175.29 1ozb s LEU 18 N 2.04 0.39 0.03 3.92 2.96 -1.24 -1.34 118.68 125.45 1ozb s LEU 18 Ca 0.05 -1.25 0.05 0.00 -0.22 0.00 0.00 54.13 52.76 1ozb s LEU 18 Cb -0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 1ozb s LEU 18 CO -0.04 -0.42 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.32 1ozb s GLN 19 N 2.07 0.99 -0.22 1.98 -1.52 -0.36 -4.97 119.66 117.63 1ozb s GLN 19 Ca 0.10 -0.73 -0.18 0.00 -1.95 0.00 0.00 55.36 52.60 1ozb s GLN 19 Cb -0.16 -1.00 -0.03 0.00 -0.22 0.00 0.00 33.01 31.60 1ozb s GLN 19 CO -0.33 0.25 0.48 0.42 -0.25 0.00 0.00 175.29 175.87 1ozb s ILE 20 N -0.77 5.12 -0.16 1.08 1.01 -1.26 -0.04 121.20 126.17 1ozb s ILE 20 Ca 0.02 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.49 1ozb s ILE 20 Cb -0.08 -3.81 -0.24 0.00 0.01 0.00 0.00 42.46 38.35 1ozb s ILE 20 CO 0.01 0.17 0.20 1.67 0.00 0.00 0.00 174.94 176.99 1ozb n GLN 21 N 4.95 0.73 -3.61 2.79 7.27 0.15 -4.96 117.38 124.70 1ozb n GLN 21 Ca -0.06 0.23 -0.13 0.00 0.07 0.00 0.00 57.00 57.11 1ozb n GLN 21 Cb 0.50 -1.66 -0.07 0.00 2.41 0.00 0.00 30.24 31.43 1ozb n GLN 21 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1ozb s ARG 22 N -2.55 0.78 -0.16 3.69 3.52 -1.14 -4.97 118.95 118.13 1ozb s ARG 22 Ca -0.26 0.74 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1ozb s ARG 22 Cb 0.07 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 1ozb s ARG 22 CO 0.72 -0.13 -0.19 0.42 -0.81 0.00 0.00 175.30 175.31 1ozb s ILE 23 N -0.00 2.26 0.20 4.11 1.01 -1.26 -0.36 121.20 127.16 1ozb s ILE 23 Ca -0.01 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 1ozb s ILE 23 Cb -0.04 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1ozb s ILE 23 CO 0.01 0.53 0.41 -0.72 0.00 0.00 0.00 174.94 175.17 1ozb s TYR 24 N 1.00 0.25 -0.18 3.97 -0.85 -0.53 -5.00 117.35 116.02 1ozb s TYR 24 Ca -0.02 -0.61 -0.08 0.00 -0.52 0.00 0.00 57.07 55.84 1ozb s TYR 24 Cb -0.15 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1ozb s TYR 24 CO -0.05 -0.86 0.09 0.08 -1.52 0.00 0.00 175.55 173.29 1ozb s VAL 25 N -3.96 5.07 -0.11 -3.49 1.01 -1.26 -0.91 120.40 116.75 1ozb s VAL 25 Ca 0.17 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.32 1ozb s VAL 25 Cb 0.01 -3.29 -0.24 0.00 0.00 0.00 0.00 36.38 32.87 1ozb s VAL 25 CO 0.02 0.47 0.39 0.29 0.00 0.00 0.00 175.10 176.27 1ozb n LYS 26 N 3.39 0.67 -3.68 2.72 5.02 -0.55 -4.97 118.16 120.76 1ozb n LYS 26 Ca -0.17 0.20 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 1ozb n LYS 26 Cb 0.52 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 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 -6.11 -0.54 -0.01 4.39 -1.08 -1.22 -5.01 116.67 107.09 1ozb s ASP 27 Ca -0.11 0.97 -0.02 0.00 -0.52 0.00 0.00 52.55 52.87 1ozb s ASP 27 Cb 0.07 0.99 -0.00 0.00 -1.46 0.00 0.00 42.92 42.52 1ozb s ASP 27 CO 0.80 -0.25 0.04 -0.69 0.52 0.00 0.00 175.17 175.59 1ozb s VAL 28 N 0.02 0.04 -0.21 1.11 1.01 -1.26 -1.06 120.40 120.05 1ozb s VAL 28 Ca -0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1ozb s VAL 28 Cb -0.04 -0.16 0.07 0.00 0.00 0.00 0.00 36.38 36.26 1ozb s VAL 28 CO 0.02 -0.16 0.51 -0.55 0.00 0.00 0.00 175.10 174.92 1ozb s SER 29 N -0.48 -0.66 -0.03 3.32 0.15 -0.28 -5.00 113.70 110.73 1ozb s SER 29 Ca -0.05 1.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.71 1ozb s SER 29 Cb -0.03 1.05 0.03 0.00 -1.71 0.00 0.00 66.02 65.36 1ozb s SER 29 CO -0.00 -0.21 0.04 0.12 1.20 0.00 0.00 173.24 174.38 1ozb s PHE 30 N 1.60 0.08 -0.03 3.44 5.36 -1.26 -0.62 117.98 126.55 1ozb s PHE 30 Ca -0.09 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1ozb s PHE 30 Cb -0.08 -0.33 0.01 0.00 -0.34 0.00 0.00 43.02 42.29 1ozb s PHE 30 CO -0.15 -0.13 -0.05 -2.00 -1.46 0.00 0.00 175.22 171.44 1ozb s GLU 31 N 1.39 0.67 -0.51 10.12 2.12 0.48 -4.98 118.70 127.99 1ozb s GLU 31 Ca -0.05 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.20 1ozb s GLU 31 Cb -0.13 -0.69 0.17 0.00 0.26 0.00 0.00 34.13 33.74 1ozb s GLU 31 CO -0.03 -0.02 0.39 0.00 -0.54 0.00 0.00 175.26 175.06 1ozb s ALA 32 N 0.60 2.22 0.14 6.30 0.00 -1.26 -0.54 121.76 129.22 1ozb s ALA 32 Ca -0.07 -2.92 -0.20 0.00 0.00 0.00 0.00 51.96 48.77 1ozb s ALA 32 Cb -0.11 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.23 1ozb s ALA 32 CO -0.00 -2.02 1.67 -1.35 0.00 0.00 0.00 175.76 174.06 1ozb h PRO 33 N 5.59 -0.10 -1.71 0.00 0.11 -1.83 -3.28 132.00 130.78 1ozb h PRO 33 Ca 0.22 0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.88 1ozb h PRO 33 Cb 0.86 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 31.81 1ozb h PRO 33 CO 0.49 -0.06 0.47 0.09 -0.21 0.00 0.00 178.00 178.78 1ozb n ASN 34 N -5.29 6.63 -4.89 -2.05 3.02 -1.26 -4.94 115.26 106.49 1ozb n ASN 34 Ca -0.01 -3.23 -0.30 0.00 -0.03 0.00 0.00 54.58 51.01 1ozb n ASN 34 Cb 0.20 -1.13 -0.04 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 -2.26 4.21 0.00 3.41 1.43 -1.24 -1.03 118.68 123.20 1ozb s LEU 35 Ca 0.48 0.18 0.26 0.00 -1.03 0.00 0.00 54.13 54.01 1ozb s LEU 35 Cb 0.34 -2.83 0.61 0.00 0.03 0.00 0.00 46.19 44.35 1ozb s LEU 35 CO -0.12 0.15 1.48 -0.81 0.23 0.00 0.00 176.35 177.28 1ozb n PRO 36 N 0.20 1.31 0.05 1.29 -0.04 -1.26 -4.90 135.00 131.65 1ozb n PRO 36 Ca -0.06 -0.89 0.03 0.00 -0.04 0.00 0.00 63.50 62.54 1ozb n PRO 36 Cb 0.52 -1.48 0.42 0.00 -0.04 0.00 0.00 33.50 32.92 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 2.18 0.41 0.00 0.54 2.07 -1.98 -2.42 115.15 115.95 1ozb h HIS 37 Ca 0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1ozb h HIS 37 Cb 0.61 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.46 1ozb h HIS 37 CO 0.00 0.33 0.00 1.51 -3.07 0.00 0.00 177.93 176.70 1ozb n ILE 38 N -4.42 1.02 0.71 6.12 3.06 -0.20 -0.22 119.36 125.43 1ozb n ILE 38 Ca 0.01 0.71 0.08 0.00 -2.50 0.00 0.00 62.75 61.06 1ozb n ILE 38 Cb 0.13 -1.71 0.40 0.00 0.54 0.00 0.00 39.64 39.00 1ozb n ILE 38 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1ozb n PHE 39 N -2.27 0.00 0.79 9.51 0.99 -0.91 -2.22 117.46 123.35 1ozb n PHE 39 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.55 1ozb n PHE 39 Cb 0.05 -0.37 0.02 0.00 -1.00 0.00 0.00 39.48 38.18 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 -1.37 0.14 -2.06 -1.08 6.02 0.69 -4.94 117.38 114.78 1ozb n GLN 40 Ca 0.06 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.00 56.73 1ozb n GLN 40 Cb 0.16 -1.54 -0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.10 3.69 0.13 -1.09 -0.21 -0.94 -4.99 119.66 113.15 1ozb s GLN 41 Ca 0.06 0.78 -0.31 0.00 0.02 0.00 0.00 55.36 55.91 1ozb s GLN 41 Cb 0.16 -2.11 -0.08 0.00 1.00 0.00 0.00 33.01 31.97 1ozb s GLN 41 CO 0.80 -0.47 1.37 -1.21 -2.12 0.00 0.00 175.29 173.67 1ozb s GLU 42 N -4.84 4.33 -1.13 2.91 2.02 -1.26 -4.88 118.70 115.84 1ozb s GLU 42 Ca 0.56 2.07 -0.21 0.00 0.02 0.00 0.00 54.97 57.40 1ozb s GLU 42 Cb -0.11 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 1ozb s GLU 42 CO 0.47 -0.40 1.91 1.87 0.02 0.00 0.00 175.26 179.13 1ozb n TRP 43 N 3.70 2.93 -3.74 1.61 -0.00 -1.26 -4.79 117.44 115.89 1ozb n TRP 43 Ca 0.10 -1.84 -0.33 0.00 -0.00 0.00 0.00 57.50 55.43 1ozb n TRP 43 Cb 0.42 -2.44 -0.09 0.00 -0.00 0.00 0.00 31.31 29.21 1ozb n TRP 43 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1ozb s LYS 44 N 5.63 2.94 0.22 5.87 1.02 -1.26 -5.08 119.74 129.08 1ozb s LYS 44 Ca 0.63 -3.26 -0.30 0.00 0.02 0.00 0.00 55.97 53.05 1ozb s LYS 44 Cb 0.04 -3.75 -0.09 0.00 -0.52 0.00 0.00 37.83 33.51 1ozb s LYS 44 CO 0.11 -1.26 1.31 -1.25 -0.92 0.00 0.00 175.35 173.34 1ozb s PRO 45 N -1.32 4.38 -0.25 -1.68 0.04 -1.26 -0.88 135.00 134.03 1ozb s PRO 45 Ca 0.26 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.40 1ozb s PRO 45 Cb -0.07 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.36 1ozb s PRO 45 CO -0.13 -0.24 -0.03 0.15 0.04 0.00 0.00 177.00 176.79 1ozb s LYS 46 N -0.38 1.54 -0.14 4.56 1.02 0.17 -4.87 119.74 121.63 1ozb s LYS 46 Ca 0.56 -1.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.27 1ozb s LYS 46 Cb -0.37 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1ozb s LYS 46 CO 0.40 -0.67 0.48 -1.17 -0.92 0.00 0.00 175.35 173.47 1ozb s LEU 47 N 1.36 4.24 -0.25 3.17 2.96 -1.26 -1.58 118.68 127.31 1ozb s LEU 47 Ca -0.03 0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 54.58 1ozb s LEU 47 Cb -0.19 -2.68 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 1ozb s LEU 47 CO -0.08 -0.04 0.03 -0.83 -1.32 0.00 0.00 176.35 174.11 1ozb s GLY 48 N 0.77 1.72 -0.17 7.98 0.00 0.21 -4.96 107.32 112.86 1ozb s GLY 48 Ca 0.25 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1ozb s GLY 48 CO 0.10 0.53 -0.18 -0.12 0.00 0.00 0.00 173.10 173.42 1ozb s PHE 49 N 1.53 2.60 0.07 1.90 5.36 -1.26 -0.42 117.98 127.77 1ozb s PHE 49 Ca 0.05 -1.52 0.09 0.00 -0.96 0.00 0.00 56.93 54.59 1ozb s PHE 49 Cb -0.15 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1ozb s PHE 49 CO 0.01 -0.76 -0.24 0.34 -1.46 0.00 0.00 175.22 173.11 1ozb s ASP 50 N 1.33 3.42 0.01 6.13 -1.08 0.62 -4.99 116.67 122.12 1ozb s ASP 50 Ca 0.05 -0.59 -0.15 0.00 -0.52 0.00 0.00 52.55 51.34 1ozb s ASP 50 Cb -0.13 -0.37 0.03 0.00 -1.46 0.00 0.00 42.92 40.98 1ozb s ASP 50 CO -0.12 0.23 0.34 -0.22 0.52 0.00 0.00 175.17 175.92 1ozb s LEU 51 N -1.56 0.74 -0.06 -1.34 0.20 -1.26 -0.76 118.68 114.64 1ozb s LEU 51 Ca 0.14 -0.01 -0.31 0.00 0.69 0.00 0.00 54.13 54.64 1ozb s LEU 51 Cb -0.10 1.41 0.12 0.00 -0.43 0.00 0.00 46.19 47.19 1ozb s LEU 51 CO 0.04 -0.55 1.11 -0.94 -0.29 0.00 0.00 176.35 175.73 1ozb s SER 52 N -1.69 -0.19 0.14 3.68 1.04 -0.65 -5.01 113.70 111.03 1ozb s SER 52 Ca -0.09 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.27 1ozb s SER 52 Cb -0.03 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1ozb s SER 52 CO 0.01 -0.44 -0.02 0.42 0.98 0.00 0.00 173.24 174.19 1ozb s THR 53 N -2.72 0.66 -0.11 2.02 -4.23 -1.26 0.02 115.64 110.01 1ozb s THR 53 Ca 0.10 -1.96 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 1ozb s THR 53 Cb 0.00 -1.94 0.05 0.00 1.34 0.00 0.00 72.50 71.95 1ozb s THR 53 CO -0.05 -0.63 0.49 -1.83 -0.54 0.00 0.00 174.62 172.05 1ozb s GLU 54 N -3.89 0.71 0.19 3.99 -1.05 -0.69 -4.99 118.70 112.98 1ozb s GLU 54 Ca 0.19 0.35 0.11 0.00 -0.15 0.00 0.00 54.97 55.47 1ozb s GLU 54 Cb 0.06 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1ozb s GLU 54 CO 0.00 -0.16 -0.21 0.99 0.95 0.00 0.00 175.26 176.83 1ozb s THR 55 N -0.51 2.52 -0.11 1.83 2.01 -1.26 -0.71 115.64 119.42 1ozb s THR 55 Ca -0.06 -1.94 -0.05 0.00 0.31 0.00 0.00 61.69 59.95 1ozb s THR 55 Cb -0.03 -2.21 0.05 0.00 0.01 0.00 0.00 72.50 70.31 1ozb s THR 55 CO 0.04 -0.10 0.25 -0.89 -0.69 0.00 0.00 174.62 173.22 1ozb s THR 56 N -1.64 -0.13 -0.01 -0.82 2.01 -0.71 -4.99 115.64 109.35 1ozb s THR 56 Ca 0.21 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1ozb s THR 56 Cb -0.08 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1ozb s THR 56 CO 0.11 0.08 1.14 -1.58 -0.69 0.00 0.00 174.62 173.68 1ozb s GLN 57 N 1.54 4.42 0.00 4.92 0.74 -1.26 -0.52 119.66 129.50 1ozb s GLN 57 Ca -0.07 1.64 0.08 0.00 0.05 0.00 0.00 55.36 57.06 1ozb s GLN 57 Cb -0.11 -3.47 0.07 0.00 1.10 0.00 0.00 33.01 30.60 1ozb s GLN 57 CO -0.08 -0.30 0.77 1.55 -0.55 0.00 0.00 175.29 176.67 1ozb n VAL 58 N 4.25 0.04 -3.01 1.34 3.14 0.16 -4.91 118.33 119.34 1ozb n VAL 58 Ca 0.09 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1ozb n VAL 58 Cb 0.47 1.14 0.00 0.00 -1.06 0.00 0.00 33.84 34.39 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 0.44 -1.31 3.63 7.55 0.00 -0.93 -4.94 105.19 109.62 1ozb n GLY 59 Ca 0.05 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.66 6.53 -0.58 1.61 1.01 -1.26 -2.47 116.67 117.85 1ozb s ASP 60 Ca 0.00 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.74 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 -1.16 0.00 0.47 0.21 0.00 0.00 175.17 174.69 1ozb n ASP 61 N 8.00 -5.20 -4.27 0.27 10.43 -1.26 -4.96 116.55 119.57 1ozb n ASP 61 Ca 0.17 0.14 -0.35 0.00 2.57 0.00 0.00 54.79 57.32 1ozb n ASP 61 Cb 0.46 -3.18 -0.14 0.00 1.84 0.00 0.00 41.12 40.10 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 -1.25 2.87 -0.02 0.64 1.43 -1.03 -0.66 118.68 120.66 1ozb s LEU 62 Ca 0.00 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1ozb s LEU 62 Cb 0.00 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1ozb s LEU 62 CO 0.00 -0.04 -0.20 -0.31 0.23 0.00 0.00 176.35 176.03 1ozb s TYR 63 N 1.43 1.75 -0.34 0.29 1.51 0.36 0.35 117.35 122.71 1ozb s TYR 63 Ca 0.05 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 1ozb s TYR 63 Cb -0.15 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1ozb s TYR 63 CO -0.05 -0.03 0.22 -2.00 -1.11 0.00 0.00 175.55 172.58 1ozb s GLU 64 N -0.44 3.43 -0.26 -0.62 2.12 0.32 -0.02 118.70 123.23 1ozb s GLU 64 Ca 0.07 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 1ozb s GLU 64 Cb -0.08 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1ozb s GLU 64 CO -0.01 -0.45 0.13 0.08 -0.54 0.00 0.00 175.26 174.47 1ozb s VAL 65 N 1.69 4.85 -0.17 3.70 1.01 0.29 -1.74 120.40 130.03 1ozb s VAL 65 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1ozb s VAL 65 Cb -0.17 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1ozb s VAL 65 CO 0.09 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 1ozb s VAL 66 N 1.53 3.78 -0.31 2.92 1.01 0.11 -1.62 120.40 127.82 1ozb s VAL 66 Ca 0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1ozb s VAL 66 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1ozb s VAL 66 CO 0.07 0.47 0.17 -0.22 0.00 0.00 0.00 175.10 175.59 1ozb s LEU 67 N 0.64 4.18 -0.27 3.92 2.96 0.27 -1.70 118.68 128.68 1ozb s LEU 67 Ca -0.02 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 1ozb s LEU 67 Cb -0.14 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1ozb s LEU 67 CO 0.02 -0.18 0.18 0.20 -1.32 0.00 0.00 176.35 175.26 1ozb s ASN 68 N 1.66 6.04 -0.08 3.68 0.01 0.10 -1.26 114.94 125.09 1ozb s ASN 68 Ca 0.05 0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.24 1ozb s ASN 68 Cb -0.17 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.39 1ozb s ASN 68 CO 0.08 -0.03 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.87 1ozb s ILE 69 N 1.62 1.33 -0.10 0.60 1.01 -0.04 -1.63 121.20 123.99 1ozb s ILE 69 Ca 0.07 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1ozb s ILE 69 Cb -0.15 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1ozb s ILE 69 CO 0.10 0.40 -0.20 -0.44 0.00 0.00 0.00 174.94 174.80 1ozb s SER 70 N 0.79 2.75 -0.07 3.58 0.01 0.06 -0.32 113.70 120.49 1ozb s SER 70 Ca -0.12 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.65 1ozb s SER 70 Cb -0.16 -1.26 0.02 0.00 0.21 0.00 0.00 66.02 64.84 1ozb s SER 70 CO 0.02 0.11 -0.06 -0.69 0.41 0.00 0.00 173.24 173.03 1ozb s VAL 71 N 0.54 0.76 -0.08 3.43 1.01 0.91 -0.28 120.40 126.69 1ozb s VAL 71 Ca -0.15 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1ozb s VAL 71 Cb -0.17 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1ozb s VAL 71 CO 0.05 0.29 -0.09 -0.70 0.00 0.00 0.00 175.10 174.65 1ozb s GLU 72 N 1.21 1.51 -0.14 2.72 2.12 0.44 0.17 118.70 126.73 1ozb s GLU 72 Ca -0.06 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 54.98 1ozb s GLU 72 Cb -0.14 -1.38 0.00 0.00 0.26 0.00 0.00 34.13 32.87 1ozb s GLU 72 CO -0.02 -0.09 -0.19 0.99 -0.54 0.00 0.00 175.26 175.42 1ozb s THR 73 N 1.06 2.39 0.17 -1.70 2.01 -0.22 0.65 115.64 120.00 1ozb s THR 73 Ca -0.08 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.13 1ozb s THR 73 Cb -0.14 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1ozb s THR 73 CO -0.01 0.54 -0.17 0.42 -0.69 0.00 0.00 174.62 174.71 1ozb s THR 74 N 0.67 1.75 -0.22 -0.82 -4.23 -0.62 0.22 115.64 112.40 1ozb s THR 74 Ca -0.09 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.29 1ozb s THR 74 Cb -0.16 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1ozb s THR 74 CO 0.02 -0.42 0.27 -0.76 -0.54 0.00 0.00 174.62 173.19 1ozb s LEU 75 N -2.87 4.13 0.13 4.79 1.02 -0.74 0.46 118.68 125.61 1ozb s LEU 75 Ca 0.17 0.29 -0.20 0.00 0.02 0.00 0.00 54.13 54.41 1ozb s LEU 75 Cb -0.04 -2.29 -0.03 0.00 0.02 0.00 0.00 46.19 43.85 1ozb s LEU 75 CO 0.06 0.00 1.71 1.05 0.02 0.00 0.00 176.35 179.19 1ozb h GLU 76 N 7.45 0.01 -1.48 1.70 4.11 -1.35 0.40 114.58 125.43 1ozb h GLU 76 Ca -0.37 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1ozb h GLU 76 Cb 1.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ozb h GLU 76 CO 0.68 0.01 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 1ozb n ASP 77 N -5.18 3.12 0.00 3.06 3.85 -1.26 -3.35 116.55 116.78 1ozb n ASP 77 Ca -0.03 -1.81 0.00 0.00 -0.71 0.00 0.00 54.79 52.24 1ozb n ASP 77 Cb 0.12 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.30 1ozb n ASP 77 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1ozb n SER 78 N 0.95 0.00 0.00 -1.12 3.41 -1.16 -5.01 113.62 110.69 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 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.31 2.23 3.74 5.00 0.00 0.14 -4.99 105.19 111.00 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 2.80 -4.69 1.61 10.43 -1.25 -4.67 116.55 120.79 1ozb n ASP 80 Ca 0.00 1.05 -0.42 0.00 2.57 0.00 0.00 54.79 57.98 1ozb n ASP 80 Cb 0.00 -1.56 -0.03 0.00 1.84 0.00 0.00 41.12 41.37 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 -1.24 4.79 -0.13 2.53 1.01 -1.26 -1.79 120.40 124.30 1ozb s VAL 81 Ca 0.66 2.01 -0.15 0.00 0.00 0.00 0.00 61.98 64.50 1ozb s VAL 81 Cb -0.45 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.50 1ozb s VAL 81 CO 0.54 0.00 0.36 0.00 0.00 0.00 0.00 175.10 176.00 1ozb h ALA 82 N 7.12 0.02 -2.25 5.51 0.00 -0.56 -3.39 119.26 125.71 1ozb h ALA 82 Ca -0.30 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ozb h ALA 82 Cb 1.14 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 1ozb h ALA 82 CO 0.86 0.08 0.30 -0.59 0.00 0.00 0.00 179.25 179.90 1ozb s PHE 83 N -1.96 -0.53 -0.05 0.00 -0.12 -1.09 -4.48 117.98 109.74 1ozb s PHE 83 Ca -0.12 0.69 0.04 0.00 -0.05 0.00 0.00 56.93 57.49 1ozb s PHE 83 Cb -0.01 0.48 -0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1ozb s PHE 83 CO 0.37 -0.62 -0.17 0.42 -0.05 0.00 0.00 175.22 175.17 1ozb s ILE 84 N -2.18 1.45 -0.03 -4.49 1.01 0.30 -1.06 121.20 116.20 1ozb s ILE 84 Ca -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1ozb s ILE 84 Cb -0.01 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.24 1ozb s ILE 84 CO -0.01 0.42 0.05 0.00 0.00 0.00 0.00 174.94 175.40 1ozb s GLU 86 N 1.70 2.24 -0.01 0.00 2.02 0.21 -0.06 118.70 124.80 1ozb s GLU 86 Ca -0.01 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1ozb s GLU 86 Cb -0.12 -1.85 -0.00 0.00 0.10 0.00 0.00 34.13 32.25 1ozb s GLU 86 CO -0.03 0.24 -0.09 0.08 0.02 0.00 0.00 175.26 175.48 1ozb s VAL 87 N 0.14 0.74 -0.57 2.63 1.01 0.56 -1.13 120.40 123.78 1ozb s VAL 87 Ca -0.08 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1ozb s VAL 87 Cb -0.14 -0.63 0.14 0.00 0.00 0.00 0.00 36.38 35.75 1ozb s VAL 87 CO 0.04 0.22 0.34 -0.75 0.00 0.00 0.00 175.10 174.95 1ozb s LYS 88 N -0.05 2.07 -0.10 2.72 2.20 -0.22 -0.86 119.74 125.50 1ozb s LYS 88 Ca 0.01 -2.81 -0.19 0.00 -0.36 0.00 0.00 55.97 52.61 1ozb s LYS 88 Cb -0.05 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1ozb s LYS 88 CO -0.00 -1.18 0.53 -1.14 -0.36 0.00 0.00 175.35 173.20 1ozb s GLN 89 N -0.63 4.36 0.27 4.03 2.00 -0.39 -1.49 119.66 127.82 1ozb s GLN 89 Ca 0.20 0.56 0.02 0.00 -2.00 0.00 0.00 55.36 54.14 1ozb s GLN 89 Cb -0.18 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 1ozb s GLN 89 CO -0.06 0.15 0.08 0.00 -0.50 0.00 0.00 175.29 174.96 1ozb s ALA 90 N 0.61 1.91 -0.11 1.58 0.00 -0.08 0.95 121.76 126.62 1ozb s ALA 90 Ca 0.29 -1.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.10 1ozb s ALA 90 Cb -0.16 0.90 0.06 0.00 0.00 0.00 0.00 23.12 23.92 1ozb s ALA 90 CO 0.12 -0.40 0.57 0.20 0.00 0.00 0.00 175.76 176.25 1ozb s GLY 91 N -3.36 -0.44 -0.23 0.00 0.00 -0.64 -1.45 107.32 101.20 1ozb s GLY 91 Ca 0.37 1.24 -0.07 0.00 0.00 0.00 0.00 44.72 46.25 1ozb s GLY 91 CO 0.14 0.96 0.07 0.14 0.00 0.00 0.00 173.10 174.41 1ozb s VAL 92 N -0.66 4.42 0.16 1.40 1.01 0.52 -0.55 120.40 126.69 1ozb s VAL 92 Ca -0.07 -0.14 0.11 0.00 0.00 0.00 0.00 61.98 61.87 1ozb s VAL 92 Cb -0.03 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1ozb s VAL 92 CO 0.05 0.36 -0.24 -0.36 0.00 0.00 0.00 175.10 174.91 1ozb s PHE 93 N 1.34 2.24 -0.35 5.22 0.40 0.97 0.34 117.98 128.14 1ozb s PHE 93 Ca 0.05 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 1ozb s PHE 93 Cb -0.15 -1.15 -0.01 0.00 0.51 0.00 0.00 43.02 42.23 1ozb s PHE 93 CO 0.04 0.42 0.25 0.99 0.70 0.00 0.00 175.22 177.61 1ozb s THR 94 N -1.46 5.21 -0.07 0.64 2.01 0.94 -0.48 115.64 122.43 1ozb s THR 94 Ca 0.17 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1ozb s THR 94 Cb -0.09 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1ozb s THR 94 CO 0.08 -0.07 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.18 1ozb s ILE 95 N 1.70 1.16 -0.06 1.82 1.01 0.16 -1.22 121.20 125.78 1ozb s ILE 95 Ca 0.06 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 1ozb s ILE 95 Cb -0.18 -1.06 0.08 0.00 0.01 0.00 0.00 42.46 41.31 1ozb s ILE 95 CO 0.10 0.36 0.72 -0.94 0.00 0.00 0.00 174.94 175.18 1ozb s SER 96 N 0.64 -0.62 0.00 3.58 1.04 -0.45 -4.62 113.70 113.27 1ozb s SER 96 Ca -0.14 0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1ozb s SER 96 Cb -0.16 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1ozb s SER 96 CO 0.04 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1ozb n GLY 97 N 0.85 0.70 2.96 7.32 0.00 -1.26 0.54 105.19 116.30 1ozb n GLY 97 Ca -0.18 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.30 2.05 0.63 0.99 1.02 -1.26 -2.25 118.68 118.56 1ozb s LEU 98 Ca 0.00 -0.16 -0.15 0.00 0.02 0.00 0.00 54.13 53.84 1ozb s LEU 98 Cb 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 46.19 45.99 1ozb s LEU 98 CO 0.00 0.01 1.08 -1.61 0.02 0.00 0.00 176.35 175.85 1ozb s GLU 99 N -0.35 3.07 0.26 1.70 8.01 -1.26 -4.61 118.70 125.51 1ozb s GLU 99 Ca -0.01 1.27 0.01 0.00 0.01 0.00 0.00 54.97 56.25 1ozb s GLU 99 Cb -0.03 -1.99 0.62 0.00 -4.31 0.00 0.00 34.13 28.41 1ozb s GLU 99 CO -0.00 -1.02 1.31 -0.25 0.01 0.00 0.00 175.26 175.31 1ozb n ASP 100 N -2.27 -0.12 -0.04 -0.19 10.43 -1.26 -0.67 116.55 122.43 1ozb n ASP 100 Ca 0.09 1.43 -0.14 0.00 2.57 0.00 0.00 54.79 58.74 1ozb n ASP 100 Cb 0.52 -0.51 -0.08 0.00 1.84 0.00 0.00 41.12 42.89 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 1.38 -0.92 2.53 2.07 -1.99 -1.78 116.25 117.54 1ozb h VAL 101 Ca 0.50 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1ozb h VAL 101 Cb 1.01 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 1ozb h VAL 101 CO -0.80 0.42 0.60 1.56 0.02 0.00 0.00 177.57 179.37 1ozb h GLN 102 N -0.11 1.08 -0.34 1.57 7.50 -1.24 -1.17 115.11 122.40 1ozb h GLN 102 Ca 0.01 -0.06 -0.09 0.00 0.50 0.00 0.00 58.65 59.01 1ozb h GLN 102 Cb 0.76 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 1ozb h GLN 102 CO 0.04 0.71 -0.13 1.98 -1.50 0.00 0.00 178.83 179.94 1ozb h MET 103 N 1.11 0.69 -0.55 1.46 4.05 -0.92 -1.66 114.93 119.11 1ozb h MET 103 Ca 0.38 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1ozb h MET 103 Cb 0.09 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1ozb h MET 103 CO -0.13 0.88 0.28 0.00 0.23 0.00 0.00 176.91 178.17 1ozb h ALA 104 N 0.79 1.46 -0.32 0.39 0.00 -0.67 -0.39 119.26 120.52 1ozb h ALA 104 Ca 0.08 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1ozb h ALA 104 Cb 0.65 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ozb h ALA 104 CO 0.04 0.44 -0.45 1.25 0.00 0.00 0.00 179.25 180.53 1ozb h HIS 105 N 0.77 1.03 -0.58 0.00 6.17 -1.08 -1.94 115.15 119.52 1ozb h HIS 105 Ca 0.19 -0.33 -0.05 0.00 0.71 0.00 0.00 60.37 60.90 1ozb h HIS 105 Cb 0.05 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 29.75 1ozb h HIS 105 CO 0.01 1.14 0.17 0.00 0.71 0.00 0.00 177.93 179.96 1ozb h LEU 107 N 0.82 0.00 -0.11 0.00 3.38 -1.06 -0.39 115.31 117.96 1ozb h LEU 107 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ozb h LEU 107 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ozb h LEU 107 CO -0.00 0.62 -0.54 0.35 0.09 0.00 0.00 178.44 178.96 1ozb n THR 108 N -3.41 0.00 0.04 0.22 -2.24 -0.73 -4.52 114.28 103.65 1ozb n THR 108 Ca 0.01 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1ozb n THR 108 Cb 0.72 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.14 0.23 0.05 3.42 2.88 0.14 -4.46 113.62 114.75 1ozb n SER 109 Ca 0.03 0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.59 1ozb n SER 109 Cb 0.20 0.01 -0.05 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 -0.42 0.49 -1.46 4.20 -1.41 -0.96 115.11 115.55 1ozb h GLN 110 Ca 0.00 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1ozb h GLN 110 Cb 0.00 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1ozb h GLN 110 CO 0.00 -0.28 -0.24 0.00 -0.67 0.00 0.00 178.83 177.64 1ozb h PRO 112 N -0.89 0.11 -0.23 0.00 0.11 -1.78 0.34 132.00 129.65 1ozb h PRO 112 Ca -0.07 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 1ozb h PRO 112 Cb 0.59 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1ozb h PRO 112 CO 0.11 0.07 -0.25 -0.97 -0.21 0.00 0.00 178.00 176.76 1ozb h ASN 113 N 0.11 0.44 0.82 -2.05 -0.73 -0.92 -0.38 115.58 112.87 1ozb h ASN 113 Ca 0.41 -0.14 -0.16 0.00 1.87 0.00 0.00 56.30 58.27 1ozb h ASN 113 Cb 1.43 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.88 1ozb h ASN 113 CO -0.05 0.68 -0.78 0.24 -0.37 0.00 0.00 177.43 177.15 1ozb h MET 114 N 0.39 0.00 0.00 6.67 2.86 0.15 -3.26 114.93 121.73 1ozb h MET 114 Ca 0.06 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1ozb h MET 114 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1ozb h MET 114 CO 0.05 0.78 -0.59 -0.07 1.06 0.00 0.00 176.91 178.13 1ozb h LEU 115 N 0.00 0.00 0.17 1.22 3.38 -0.83 -3.38 115.31 115.86 1ozb h LEU 115 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ozb h LEU 115 Cb 1.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 1ozb h LEU 115 CO 0.10 0.59 -0.27 0.15 0.09 0.00 0.00 178.44 179.10 1ozb h PHE 116 N 0.00 -0.73 -0.47 1.13 3.57 -1.12 -2.27 116.94 117.04 1ozb h PHE 116 Ca -0.01 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1ozb h PHE 116 Cb 1.42 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 1ozb h PHE 116 CO 0.00 -0.38 0.43 -1.00 -2.23 0.00 0.00 178.31 175.13 1ozb h PRO 117 N -0.51 0.00 -0.06 6.41 0.13 -1.77 0.39 132.00 136.58 1ozb h PRO 117 Ca 0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.98 1ozb h PRO 117 Cb 0.52 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.66 1ozb h PRO 117 CO -0.13 0.00 -0.64 1.88 -0.23 0.00 0.00 178.00 178.88 1ozb h TYR 118 N 0.00 0.76 -0.35 1.56 -1.99 -1.66 -2.54 116.97 112.74 1ozb h TYR 118 Ca 0.22 -0.37 -0.06 0.00 2.00 0.00 0.00 58.73 60.52 1ozb h TYR 118 Cb 1.08 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.69 1ozb h TYR 118 CO 0.00 1.18 -0.04 0.00 -0.00 0.00 0.00 178.16 179.30 1ozb h ALA 119 N 0.42 1.28 -0.36 3.88 0.00 -0.21 -1.94 119.26 122.33 1ozb h ALA 119 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ozb h ALA 119 Cb 1.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ozb h ALA 119 CO 0.13 0.48 0.10 -0.09 0.00 0.00 0.00 179.25 179.88 1ozb h ARG 120 N 0.54 0.56 -0.40 0.00 2.43 -0.34 -1.73 114.38 115.44 1ozb h ARG 120 Ca 0.11 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1ozb h ARG 120 Cb 0.40 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1ozb h ARG 120 CO 0.02 0.59 -0.01 1.49 -1.51 0.00 0.00 179.97 180.55 1ozb h GLU 121 N 0.43 0.65 -0.13 0.20 4.22 -1.17 -0.53 114.58 118.25 1ozb h GLU 121 Ca 0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 1ozb h GLU 121 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ozb h GLU 121 CO -0.00 0.68 0.06 1.25 -2.18 0.00 0.00 179.01 178.82 1ozb h LEU 122 N 0.62 0.18 -0.40 1.64 5.85 -1.06 0.15 115.31 122.27 1ozb h LEU 122 Ca 0.13 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ozb h LEU 122 Cb 0.40 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1ozb h LEU 122 CO 0.02 0.25 0.23 0.58 -0.34 0.00 0.00 178.44 179.17 1ozb h VAL 123 N 0.09 1.15 -0.49 1.05 2.07 -1.07 -1.36 116.25 117.69 1ozb h VAL 123 Ca 0.05 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ozb h VAL 123 Cb 0.12 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1ozb h VAL 123 CO -0.01 0.15 0.32 -1.28 0.02 0.00 0.00 177.57 176.78 1ozb h SER 124 N 0.52 0.57 0.13 0.57 0.87 -0.92 -0.69 113.55 114.61 1ozb h SER 124 Ca 0.14 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1ozb h SER 124 Cb 0.05 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1ozb h SER 124 CO -0.02 0.42 -0.23 -1.13 -0.53 0.00 0.00 176.83 175.34 1ozb h ASN 125 N 0.67 -0.64 -0.48 6.23 -1.24 -0.38 -1.25 115.58 118.50 1ozb h ASN 125 Ca 0.18 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 1ozb h ASN 125 Cb -0.07 0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 1ozb h ASN 125 CO -0.04 -0.32 0.26 -0.07 -1.29 0.00 0.00 177.43 175.98 1ozb h LEU 126 N -0.43 0.60 -0.58 0.34 3.38 -1.09 -2.32 115.31 115.20 1ozb h LEU 126 Ca 0.02 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1ozb h LEU 126 Cb 0.45 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1ozb h LEU 126 CO -0.12 0.51 0.31 0.58 0.09 0.00 0.00 178.44 179.82 1ozb h VAL 127 N 0.63 0.96 -0.78 1.22 2.07 -0.96 -1.72 116.25 117.68 1ozb h VAL 127 Ca 0.17 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1ozb h VAL 127 Cb 0.05 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 1ozb h VAL 127 CO -0.03 0.11 0.40 0.78 0.02 0.00 0.00 177.57 178.85 1ozb h ASN 128 N 0.59 0.52 0.44 0.57 2.35 -0.88 -0.40 115.58 118.77 1ozb h ASN 128 Ca 0.26 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1ozb h ASN 128 Cb 0.15 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ozb h ASN 128 CO -0.17 0.28 0.00 0.03 -1.65 0.00 0.00 177.43 175.92 1ozb h ARG 129 N 0.65 0.00 -0.02 0.81 2.47 -0.78 0.11 114.38 117.63 1ozb h ARG 129 Ca 0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1ozb h ARG 129 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1ozb h ARG 129 CO -0.29 0.00 -0.10 0.41 0.56 0.00 0.00 179.97 180.55 1ozb n GLY 130 N -0.58 0.13 3.12 0.04 0.00 -0.17 -4.94 105.19 102.78 1ozb n GLY 130 Ca -0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 0.28 -2.22 -3.71 2.61 -2.24 0.38 -5.02 114.28 104.36 1ozb n THR 131 Ca 0.16 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 1ozb n THR 131 Cb 0.42 -3.52 -0.03 0.00 -2.10 0.00 0.00 70.33 65.10 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 -3.20 3.48 0.48 4.78 0.40 -1.17 -5.04 117.98 117.71 1ozb s PHE 132 Ca 0.38 0.37 -0.24 0.00 -0.60 0.00 0.00 56.93 56.83 1ozb s PHE 132 Cb -0.17 -1.87 -0.07 0.00 0.51 0.00 0.00 43.02 41.42 1ozb s PHE 132 CO 0.47 0.41 1.42 -1.25 0.70 0.00 0.00 175.22 176.96 1ozb s PRO 133 N -3.14 3.53 0.20 0.24 0.04 -1.26 -4.57 135.00 130.03 1ozb s PRO 133 Ca 0.39 2.39 -0.27 0.00 0.04 0.00 0.00 61.00 63.54 1ozb s PRO 133 Cb -0.11 -2.55 -0.16 0.00 0.04 0.00 0.00 34.50 31.71 1ozb s PRO 133 CO 0.28 -0.93 0.49 0.00 0.04 0.00 0.00 177.00 176.88 1ozb n ALA 134 N -0.43 -2.83 -3.71 8.56 0.00 -1.26 -4.95 120.51 115.90 1ozb n ALA 134 Ca 0.06 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 1ozb n ALA 134 Cb 0.43 -1.56 -0.16 0.00 0.00 0.00 0.00 19.45 18.16 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 2.96 1.64 -0.52 0.00 2.96 -1.26 -5.08 118.68 119.39 1ozb s LEU 135 Ca 0.62 -1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.23 1ozb s LEU 135 Cb -0.89 -0.71 0.14 0.00 0.50 0.00 0.00 46.19 45.22 1ozb s LEU 135 CO 0.55 -0.37 0.31 0.20 -1.32 0.00 0.00 176.35 175.71 1ozb s ASN 136 N 1.76 5.14 0.14 3.68 0.01 -1.26 -4.07 114.94 120.33 1ozb s ASN 136 Ca 0.05 -2.52 -0.33 0.00 -0.71 0.00 0.00 52.86 49.36 1ozb s ASN 136 Cb -0.17 -1.81 -0.17 0.00 0.41 0.00 0.00 41.25 39.50 1ozb s ASN 136 CO -0.20 -0.42 0.94 0.18 -1.51 0.00 0.00 177.10 176.08 1ozb n LEU 137 N 3.92 0.28 -4.77 0.60 4.77 -1.26 -4.91 117.00 115.63 1ozb n LEU 137 Ca 0.03 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 56.81 1ozb n LEU 137 Cb 0.39 -1.06 0.01 0.00 -2.33 0.00 0.00 43.42 40.43 1ozb n LEU 137 CO 0.33 -1.98 0.78 -0.94 -1.33 0.00 0.00 177.39 174.25 1ozb s SER 138 N -0.33 5.62 0.33 -1.43 1.04 -1.26 -4.95 113.70 112.72 1ozb s SER 138 Ca 0.74 2.16 -0.26 0.00 0.48 0.00 0.00 55.95 59.08 1ozb s SER 138 Cb -0.98 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 62.42 1ozb s SER 138 CO 0.55 -1.29 0.76 -2.65 0.98 0.00 0.00 173.24 171.59 1ozb n PRO 139 N -1.45 0.83 -4.62 4.02 -0.02 -1.26 -4.99 135.00 127.51 1ozb n PRO 139 Ca 0.12 0.29 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 1ozb n PRO 139 Cb 0.51 -1.58 -0.14 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.21 1.89 -0.21 -1.45 1.01 -1.26 -5.12 120.40 114.06 1ozb s VAL 140 Ca 0.61 -1.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ozb s VAL 140 Cb -0.70 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.05 1ozb s VAL 140 CO 0.58 0.19 -0.13 0.21 0.00 0.00 0.00 175.10 175.95 1ozb s ASN 141 N -1.45 3.73 0.05 3.32 3.84 -1.26 -4.99 114.94 118.18 1ozb s ASN 141 Ca 0.09 -0.75 0.26 0.00 0.21 0.00 0.00 52.86 52.68 1ozb s ASN 141 Cb -0.10 -1.57 0.79 0.00 -0.55 0.00 0.00 41.25 39.82 1ozb s ASN 141 CO 0.03 -0.05 1.64 0.49 -2.79 0.00 0.00 177.10 176.41 1ozb n PHE 142 N 4.64 0.23 -0.34 0.43 3.01 -1.26 -3.78 117.46 120.37 1ozb n PHE 142 Ca -0.19 0.07 0.10 0.00 1.01 0.00 0.00 57.45 58.44 1ozb n PHE 142 Cb 0.49 -0.51 0.28 0.00 -0.01 0.00 0.00 39.48 39.72 1ozb n PHE 142 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ozb h ASP 143 N 0.00 0.78 -0.54 4.37 3.32 -1.90 0.28 116.42 122.73 1ozb h ASP 143 Ca 0.00 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.24 1ozb h ASP 143 Cb 0.58 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 1ozb h ASP 143 CO 0.00 0.33 -0.01 0.00 -1.72 0.00 0.00 179.24 177.84 1ozb h ALA 144 N 1.60 0.51 0.72 3.45 0.00 -1.96 -2.18 119.26 121.38 1ozb h ALA 144 Ca 0.53 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.57 1ozb h ALA 144 Cb 0.72 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ozb h ALA 144 CO -0.34 -0.39 -0.35 -0.07 0.00 0.00 0.00 179.25 178.10 1ozb h LEU 145 N 0.11 -0.83 -0.83 0.00 3.38 -0.72 -2.31 115.31 114.11 1ozb h LEU 145 Ca 0.27 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.48 1ozb h LEU 145 Cb 0.43 0.22 -0.16 0.00 0.09 0.00 0.00 40.66 41.24 1ozb h LEU 145 CO -0.46 -0.59 -0.06 0.33 0.09 0.00 0.00 178.44 177.75 1ozb n PHE 146 N -5.51 0.45 0.39 1.13 7.35 -0.64 0.44 117.46 121.08 1ozb n PHE 146 Ca -0.14 1.00 -0.15 0.00 -0.76 0.00 0.00 57.45 57.40 1ozb n PHE 146 Cb 0.39 -1.07 -0.07 0.00 0.35 0.00 0.00 39.48 39.08 1ozb n PHE 146 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1ozb h VAL 147 N 0.00 0.00 -0.50 -2.13 2.07 -1.14 0.15 116.25 114.70 1ozb h VAL 147 Ca 0.47 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 68.11 1ozb h VAL 147 Cb 0.89 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1ozb h VAL 147 CO -0.81 0.00 0.66 -0.33 0.02 0.00 0.00 177.57 177.11 1ozb h GLU 148 N -1.02 0.00 0.30 1.57 5.08 0.48 0.22 114.58 121.21 1ozb h GLU 148 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1ozb h GLU 148 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ozb h GLU 148 CO 0.17 0.00 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.12 1ozb h TYR 149 N 0.00 -0.37 -1.00 4.33 3.20 0.71 -2.91 116.97 120.93 1ozb h TYR 149 Ca 0.24 -0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.39 1ozb h TYR 149 Cb 1.55 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.90 1ozb h TYR 149 CO 0.00 -0.23 0.72 0.52 -1.64 0.00 0.00 178.16 177.53 1ozb h MET 150 N -1.11 0.01 0.07 1.82 2.86 0.22 0.13 114.93 118.95 1ozb h MET 150 Ca -0.04 -0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.32 1ozb h MET 150 Cb 0.30 -0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.98 1ozb h MET 150 CO 0.07 0.01 -1.14 -0.91 1.06 0.00 0.00 176.91 176.00 1ozb h ASN 151 N 0.02 0.76 0.07 1.22 -0.26 -1.16 -2.68 115.58 113.55 1ozb h ASN 151 Ca 0.48 -0.68 -0.10 0.00 -0.56 0.00 0.00 56.30 55.44 1ozb h ASN 151 Cb 1.89 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.90 1ozb h ASN 151 CO -0.01 1.49 -0.34 0.03 -1.06 0.00 0.00 177.43 177.54 1ozb h ARG 152 N 0.27 0.39 -0.43 0.81 3.08 -0.60 -2.82 114.38 115.07 1ozb h ARG 152 Ca -0.15 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 1ozb h ARG 152 Cb 1.81 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.83 1ozb h ARG 152 CO 0.21 0.68 0.10 -0.56 -1.07 0.00 0.00 179.97 179.33 1ozb h GLN 153 N 0.33 0.70 0.00 0.04 -0.00 -1.09 -2.46 115.11 112.63 1ozb h GLN 153 Ca 0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 1ozb h GLN 153 Cb 0.76 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 28.15 1ozb h GLN 153 CO 0.06 0.71 0.35 -0.56 -0.00 0.00 0.00 178.83 179.39 1ozb h GLN 154 N 0.57 0.00 -0.01 0.06 3.07 -1.20 -3.51 115.11 114.08 1ozb h GLN 154 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1ozb h GLN 154 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1ozb h GLN 154 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.92