#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi s PRO 10 N 0.00 4.44 0.00 1.97 0.05 -1.26 -3.30 135.00 136.91 1ozi s PRO 10 Ca 0.00 1.00 0.00 0.00 0.05 0.00 0.00 61.00 62.05 1ozi s PRO 10 Cb 0.00 -3.29 0.00 0.00 0.05 0.00 0.00 34.50 31.26 1ozi s PRO 10 CO 0.00 0.48 0.00 0.41 0.05 0.00 0.00 177.00 177.94 1ozi n GLY 11 N 1.93 0.68 3.89 0.56 0.00 0.72 -4.87 105.19 108.10 1ozi n GLY 11 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1ozi n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozi s ASP 12 N -2.17 6.47 -0.16 1.61 2.15 -1.21 -4.72 116.67 118.64 1ozi s ASP 12 Ca 0.00 0.52 -0.06 0.00 0.43 0.00 0.00 52.55 53.44 1ozi s ASP 12 Cb 0.00 -2.08 -0.04 0.00 -0.30 0.00 0.00 42.92 40.51 1ozi s ASP 12 CO 0.00 0.27 0.06 0.42 -0.17 0.00 0.00 175.17 175.75 1ozi s THR 13 N -1.28 4.78 -0.07 1.71 -4.23 -1.25 -1.82 115.64 113.48 1ozi s THR 13 Ca 0.26 -0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 60.51 1ozi s THR 13 Cb -0.13 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.63 1ozi s THR 13 CO 0.16 0.50 0.51 0.72 -0.54 0.00 0.00 174.62 175.97 1ozi s PHE 14 N 0.02 -0.47 -0.75 3.99 -0.71 -0.49 -4.97 117.98 114.60 1ozi s PHE 14 Ca 0.06 0.89 -0.26 0.00 -1.04 0.00 0.00 56.93 56.57 1ozi s PHE 14 Cb -0.12 0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 1ozi s PHE 14 CO 0.01 -0.45 1.45 -1.21 -1.34 0.00 0.00 175.22 173.67 1ozi s GLU 15 N -0.89 3.09 0.09 1.99 0.41 -1.25 -1.46 118.70 120.67 1ozi s GLU 15 Ca -0.09 -0.15 -0.31 0.00 -0.41 0.00 0.00 54.97 54.00 1ozi s GLU 15 Cb -0.03 -4.38 -0.07 0.00 -1.78 0.00 0.00 34.13 27.87 1ozi s GLU 15 CO 0.06 -2.33 1.28 0.54 -0.49 0.00 0.00 175.26 174.32 1ozi s VAL 16 N 6.53 3.70 -0.73 2.63 0.11 0.06 -4.75 120.40 127.95 1ozi s VAL 16 Ca 0.44 1.23 -0.17 0.00 -2.93 0.00 0.00 61.98 60.55 1ozi s VAL 16 Cb -0.08 -3.79 0.14 0.00 -1.53 0.00 0.00 36.38 31.12 1ozi s VAL 16 CO 0.13 0.10 0.81 -1.61 -3.33 0.00 0.00 175.10 171.20 1ozi s GLU 17 N 1.01 3.32 -0.27 1.54 8.01 -1.26 -1.91 118.70 129.14 1ozi s GLU 17 Ca 0.61 -1.76 -0.10 0.00 0.01 0.00 0.00 54.97 53.73 1ozi s GLU 17 Cb -0.33 -4.46 -0.04 0.00 -4.31 0.00 0.00 34.13 24.99 1ozi s GLU 17 CO 0.30 -1.52 0.15 -1.17 0.01 0.00 0.00 175.26 173.04 1ozi s LEU 18 N 1.94 3.87 -0.30 1.80 1.98 0.88 -4.92 118.68 123.91 1ozi s LEU 18 Ca 0.18 -0.05 -0.15 0.00 -2.89 0.00 0.00 54.13 51.21 1ozi s LEU 18 Cb -0.16 -2.06 -0.02 0.00 0.66 0.00 0.00 46.19 44.60 1ozi s LEU 18 CO -0.02 -0.04 0.39 0.00 -1.89 0.00 0.00 176.35 174.80 1ozi s ALA 19 N 1.66 3.53 0.45 5.97 0.00 -1.26 -0.42 121.76 131.69 1ozi s ALA 19 Ca 0.07 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.84 1ozi s ALA 19 Cb -0.16 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 1ozi s ALA 19 CO 0.09 -0.87 1.14 -1.59 0.00 0.00 0.00 175.76 174.52 1ozi s LYS 20 N 2.11 3.83 -0.18 0.00 -2.85 -0.69 -4.68 119.74 117.27 1ozi s LYS 20 Ca 0.15 1.70 -0.21 0.00 -1.00 0.00 0.00 55.97 56.61 1ozi s LYS 20 Cb -0.16 -2.41 -0.18 0.00 -2.06 0.00 0.00 37.83 33.02 1ozi s LYS 20 CO 0.11 -0.47 0.27 1.15 0.10 0.00 0.00 175.35 176.51 1ozi h THR 21 N 1.91 0.95 -1.97 3.79 2.02 -1.85 -3.48 112.91 114.28 1ozi h THR 21 Ca -0.49 -2.04 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1ozi h THR 21 Cb 1.24 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1ozi h THR 21 CO 0.60 0.32 0.00 -0.67 0.37 0.00 0.00 175.52 176.15 1ozi n ASP 22 N -4.50 0.56 -0.71 4.18 2.03 -1.26 -4.97 116.55 111.89 1ozi n ASP 22 Ca -0.24 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.09 1ozi n ASP 22 Cb 0.58 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.08 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ozi n GLY 23 N 5.00 1.25 3.51 0.27 0.00 -1.26 -4.80 105.19 109.16 1ozi n GLY 23 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1ozi n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ozi s SER 24 N -0.47 0.65 0.23 1.61 0.01 -1.26 -5.06 113.70 109.41 1ozi s SER 24 Ca 0.14 -1.37 -0.06 0.00 1.31 0.00 0.00 55.95 55.98 1ozi s SER 24 Cb 0.10 0.65 -0.06 0.00 0.21 0.00 0.00 66.02 66.92 1ozi s SER 24 CO 0.06 -1.27 0.49 -0.76 0.41 0.00 0.00 173.24 172.17 1ozi s LEU 25 N -3.19 4.16 -0.06 2.44 1.43 -1.26 -4.20 118.68 118.00 1ozi s LEU 25 Ca 0.29 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1ozi s LEU 25 Cb -0.00 -3.48 0.10 0.00 0.03 0.00 0.00 46.19 42.84 1ozi s LEU 25 CO 0.17 -0.09 1.07 0.61 0.23 0.00 0.00 176.35 178.34 1ozi n GLY 26 N -0.45 2.27 2.99 -3.19 0.00 -1.26 -4.74 105.19 100.80 1ozi n GLY 26 Ca -0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1ozi n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ozi s ILE 27 N -0.58 0.83 -0.30 -0.61 -4.36 -1.26 -0.13 121.20 114.80 1ozi s ILE 27 Ca 0.08 -0.36 -0.19 0.00 -0.26 0.00 0.00 60.65 59.92 1ozi s ILE 27 Cb 0.07 -0.75 -0.01 0.00 1.25 0.00 0.00 42.46 43.01 1ozi s ILE 27 CO 0.02 0.27 0.59 -0.55 0.24 0.00 0.00 174.94 175.50 1ozi s SER 28 N 0.37 6.47 -0.10 4.36 0.15 0.14 -4.85 113.70 120.23 1ozi s SER 28 Ca -0.06 0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 1ozi s SER 28 Cb -0.11 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1ozi s SER 28 CO 0.01 -0.43 -0.04 0.68 1.20 0.00 0.00 173.24 174.66 1ozi s VAL 29 N 2.51 3.88 0.22 4.45 -7.23 -1.26 0.82 120.40 123.79 1ozi s VAL 29 Ca 0.24 -0.39 0.07 0.00 -1.81 0.00 0.00 61.98 60.09 1ozi s VAL 29 Cb -0.15 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 1ozi s VAL 29 CO 0.11 0.56 -0.12 0.28 -0.31 0.00 0.00 175.10 175.62 1ozi s THR 30 N -0.37 1.69 -0.32 5.32 -1.32 0.11 -4.85 115.64 115.89 1ozi s THR 30 Ca 0.06 -2.18 -0.10 0.00 -1.21 0.00 0.00 61.69 58.25 1ozi s THR 30 Cb -0.12 -2.15 -0.00 0.00 -1.51 0.00 0.00 72.50 68.71 1ozi s THR 30 CO 0.02 -0.52 0.17 -0.69 -2.21 0.00 0.00 174.62 171.39 1ozi s VAL 31 N -3.00 4.65 -0.81 5.08 1.01 -1.26 0.48 120.40 126.55 1ozi s VAL 31 Ca 0.24 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1ozi s VAL 31 Cb 0.01 -3.41 0.21 0.00 0.00 0.00 0.00 36.38 33.18 1ozi s VAL 31 CO 0.08 0.01 0.69 -0.76 0.00 0.00 0.00 175.10 175.12 1ozi s LEU 32 N 1.61 5.73 0.00 3.92 1.02 -0.05 -4.95 118.68 125.96 1ozi s LEU 32 Ca 0.04 -3.23 0.00 0.00 0.02 0.00 0.00 54.13 50.96 1ozi s LEU 32 Cb -0.17 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.07 1ozi s LEU 32 CO 0.07 -0.33 0.00 0.33 0.02 0.00 0.00 176.35 176.44 1ozi n PHE 33 N 3.05 -1.71 -1.96 0.29 7.35 -1.25 -2.76 117.46 120.47 1ozi n PHE 33 Ca 0.16 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.59 1ozi n PHE 33 Cb 0.39 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.17 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1ozi s ASP 34 N -1.00 4.94 -0.24 -2.13 1.11 -1.25 -4.34 116.67 113.76 1ozi s ASP 34 Ca 0.00 -0.47 -0.26 0.00 0.18 0.00 0.00 52.55 52.00 1ozi s ASP 34 Cb 0.00 -2.56 0.08 0.00 1.07 0.00 0.00 42.92 41.52 1ozi s ASP 34 CO 0.00 -2.90 0.78 -0.75 1.18 0.00 0.00 175.17 173.48 1ozi s LYS 35 N 7.33 0.80 0.00 8.23 2.20 -1.26 -4.98 119.74 132.05 1ozi s LYS 35 Ca 0.74 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 1ozi s LYS 35 Cb -0.08 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1ozi s LYS 35 CO 0.02 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1ozi n GLY 36 N 2.26 0.77 3.52 5.54 0.00 -1.26 -4.97 105.19 111.04 1ozi n GLY 36 Ca -0.14 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1ozi n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ozi s GLY 37 N -2.89 1.13 -0.02 -0.02 0.00 -1.26 -4.71 107.32 99.54 1ozi s GLY 37 Ca 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 1ozi s GLY 37 CO 0.00 2.37 -0.04 -0.62 0.00 0.00 0.00 173.10 174.81 1ozi n VAL 38 N 6.24 0.24 0.14 1.40 0.31 -1.26 -4.74 118.33 120.65 1ozi n VAL 38 Ca 0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1ozi n VAL 38 Cb 0.48 -1.55 0.10 0.00 -0.91 0.00 0.00 33.84 31.95 1ozi n VAL 38 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ozi h ASN 39 N -0.11 0.00 -5.31 4.52 7.08 -1.97 -3.45 115.58 116.34 1ozi h ASN 39 Ca -0.07 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.05 1ozi h ASN 39 Cb 1.01 0.00 -0.11 0.00 -2.08 0.00 0.00 38.32 37.14 1ozi h ASN 39 CO -0.04 0.58 -0.25 0.42 -2.08 0.00 0.00 177.43 176.06 1ozi s THR 40 N -3.14 0.01 -0.09 6.14 -4.23 -1.26 -5.08 115.64 107.99 1ozi s THR 40 Ca 0.02 -1.51 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 1ozi s THR 40 Cb 0.09 -2.20 -0.28 0.00 1.34 0.00 0.00 72.50 71.46 1ozi s THR 40 CO 0.75 -0.04 0.50 0.28 -0.54 0.00 0.00 174.62 175.56 1ozi h SER 41 N 2.37 0.46 -3.54 3.99 0.02 -1.88 -3.39 113.55 111.57 1ozi h SER 41 Ca -0.29 -0.88 -0.52 0.00 -0.84 0.00 0.00 61.79 59.26 1ozi h SER 41 Cb 1.25 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 1ozi h SER 41 CO 0.41 1.77 0.02 0.54 -1.14 0.00 0.00 176.83 178.43 1ozi s VAL 42 N -2.57 4.73 0.00 2.27 0.11 -1.26 -4.58 120.40 119.10 1ozi s VAL 42 Ca -0.19 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 1ozi s VAL 42 Cb 0.06 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1ozi s VAL 42 CO 0.80 0.04 0.00 0.54 -3.33 0.00 0.00 175.10 173.15 1ozi n ARG 43 N 0.24 1.84 -1.38 1.54 5.12 -1.26 -4.96 116.66 117.80 1ozi n ARG 43 Ca -0.01 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 1ozi n ARG 43 Cb 0.52 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.82 1ozi n ARG 43 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1ozi n HIS 44 N -2.10 0.00 -2.24 -1.55 -0.00 -1.26 -4.92 115.22 103.16 1ozi n HIS 44 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 1ozi n HIS 44 Cb 0.44 -2.74 -0.02 0.00 -0.00 0.00 0.00 29.99 27.67 1ozi n HIS 44 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1ozi s GLY 45 N -2.57 2.89 0.00 1.57 0.00 -1.26 -4.91 107.32 103.04 1ozi s GLY 45 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1ozi s GLY 45 CO 0.00 1.58 0.00 0.61 0.00 0.00 0.00 173.10 175.29 1ozi n GLY 46 N 0.67 1.85 3.87 0.20 0.00 -1.11 -3.82 105.19 106.84 1ozi n GLY 46 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1ozi n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozi s ILE 47 N 1.82 5.18 -0.02 -0.61 -1.09 -0.78 -0.87 121.20 124.84 1ozi s ILE 47 Ca 0.00 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1ozi s ILE 47 Cb 0.00 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1ozi s ILE 47 CO 0.00 0.27 -0.04 -0.47 -1.23 0.00 0.00 174.94 173.47 1ozi s TYR 48 N -1.34 0.48 -0.45 3.97 5.04 0.18 0.42 117.35 125.64 1ozi s TYR 48 Ca 0.28 -0.09 -0.29 0.00 -2.44 0.00 0.00 57.07 54.54 1ozi s TYR 48 Cb -0.13 -0.38 0.01 0.00 0.35 0.00 0.00 41.96 41.82 1ozi s TYR 48 CO 0.20 -0.06 1.39 0.08 -1.34 0.00 0.00 175.55 175.82 1ozi s VAL 49 N 0.26 3.90 -0.01 3.14 1.01 0.13 0.09 120.40 128.92 1ozi s VAL 49 Ca -0.03 0.89 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1ozi s VAL 49 Cb -0.06 -4.28 -0.30 0.00 0.00 0.00 0.00 36.38 31.73 1ozi s VAL 49 CO -0.00 -0.86 0.81 0.50 0.00 0.00 0.00 175.10 175.55 1ozi h LYS 50 N 10.70 0.36 -3.20 2.72 3.64 0.09 0.29 116.57 131.18 1ozi h LYS 50 Ca -0.27 -0.62 -0.00 0.00 -1.27 0.00 0.00 60.65 58.49 1ozi h LYS 50 Cb 1.10 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 1ozi h LYS 50 CO 1.11 1.26 0.10 0.00 -2.27 0.00 0.00 179.45 179.65 1ozi s ALA 51 N -2.60 -1.10 -0.22 5.00 0.00 -0.99 -4.71 121.76 117.15 1ozi s ALA 51 Ca -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1ozi s ALA 51 Cb 0.06 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 1ozi s ALA 51 CO 0.87 -0.85 -0.04 0.42 0.00 0.00 0.00 175.76 176.16 1ozi s ILE 52 N -3.86 3.38 0.25 0.00 -1.09 -1.26 0.27 121.20 118.88 1ozi s ILE 52 Ca 0.08 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 1ozi s ILE 52 Cb -0.02 -2.54 -0.10 0.00 -1.58 0.00 0.00 42.46 38.23 1ozi s ILE 52 CO -0.02 0.42 1.34 -0.63 -1.23 0.00 0.00 174.94 174.82 1ozi s ILE 53 N 1.47 2.93 0.59 2.92 1.09 0.82 -4.91 121.20 126.11 1ozi s ILE 53 Ca 0.06 0.81 0.29 0.00 -1.10 0.00 0.00 60.65 60.70 1ozi s ILE 53 Cb -0.14 -3.52 0.39 0.00 -1.06 0.00 0.00 42.46 38.13 1ozi s ILE 53 CO -0.03 0.14 1.86 -0.65 -0.10 0.00 0.00 174.94 176.16 1ozi h PRO 54 N 4.78 0.00 -3.27 2.79 0.11 -1.99 -3.29 132.00 131.13 1ozi h PRO 54 Ca -0.46 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 64.95 1ozi h PRO 54 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1ozi h PRO 54 CO 0.74 0.00 3.26 1.17 -0.21 0.00 0.00 178.00 182.97 1ozi n LYS 55 N -3.69 3.60 0.00 1.05 3.00 -1.26 -4.93 118.16 115.93 1ozi n LYS 55 Ca 0.09 -2.64 0.00 0.00 -0.00 0.00 0.00 58.31 55.77 1ozi n LYS 55 Cb 0.73 -2.92 0.00 0.00 0.00 0.00 0.00 35.03 32.84 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 56 N 3.36 1.50 5.30 3.14 0.00 -1.24 -4.51 105.19 112.74 1ozi n GLY 56 Ca 0.65 0.51 0.00 0.00 0.00 0.00 0.00 46.02 47.18 1ozi n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi n ALA 57 N 8.97 0.00 0.09 4.61 0.00 -1.26 -0.18 120.51 132.74 1ozi n ALA 57 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ozi n ALA 57 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ozi n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozi h ALA 58 N 0.00 0.49 0.11 0.00 0.00 -1.87 -2.04 119.26 115.95 1ozi h ALA 58 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 54.91 53.97 1ozi h ALA 58 Cb 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ozi h ALA 58 CO 0.00 1.01 -0.82 1.49 0.00 0.00 0.00 179.25 180.93 1ozi h GLU 59 N 0.00 0.37 -0.13 0.00 4.22 -0.83 -0.54 114.58 117.66 1ozi h GLU 59 Ca -0.02 -0.54 -0.22 0.00 0.08 0.00 0.00 59.36 58.66 1ozi h GLU 59 Cb 1.63 0.19 0.01 0.00 0.50 0.00 0.00 28.75 31.07 1ozi h GLU 59 CO 0.10 1.23 -0.78 0.66 -2.18 0.00 0.00 179.01 178.04 1ozi h SER 60 N -0.23 0.85 0.38 1.04 4.64 -1.59 -2.58 113.55 116.06 1ozi h SER 60 Ca -0.13 -0.56 -0.16 0.00 -0.47 0.00 0.00 61.79 60.46 1ozi h SER 60 Cb 1.60 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1ozi h SER 60 CO 0.16 1.35 -0.68 -0.78 -0.87 0.00 0.00 176.83 176.01 1ozi h ASP 61 N 0.48 0.32 -1.82 4.97 1.82 -1.48 -3.48 116.42 117.23 1ozi h ASP 61 Ca -0.05 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1ozi h ASP 61 Cb 1.40 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.32 1ozi h ASP 61 CO 0.16 0.90 0.00 0.61 -1.61 0.00 0.00 179.24 179.30 1ozi n GLY 62 N 0.44 0.45 0.92 -0.78 0.00 -0.31 -5.04 105.19 100.87 1ozi n GLY 62 Ca -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.55 1ozi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi n ARG 63 N -0.91 0.01 -2.47 1.61 1.74 -0.60 -5.02 116.66 111.02 1ozi n ARG 63 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1ozi n ARG 63 Cb 0.46 -0.12 -0.04 0.00 -1.02 0.00 0.00 32.46 31.74 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ozi s ILE 64 N -1.14 3.47 0.23 0.55 1.01 -1.25 -5.04 121.20 119.02 1ozi s ILE 64 Ca -0.00 1.47 0.10 0.00 0.00 0.00 0.00 60.65 62.21 1ozi s ILE 64 Cb 0.00 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1ozi s ILE 64 CO 0.01 0.34 -0.18 -1.38 0.00 0.00 0.00 174.94 173.73 1ozi s HIS 65 N -1.18 1.99 0.13 3.97 -3.43 -1.26 -4.68 115.29 110.83 1ozi s HIS 65 Ca 0.45 -0.45 -0.30 0.00 -0.80 0.00 0.00 55.06 53.96 1ozi s HIS 65 Cb -0.32 -0.91 -0.07 0.00 -1.43 0.00 0.00 32.58 29.86 1ozi s HIS 65 CO 0.41 0.51 1.10 -1.59 -2.00 0.00 0.00 174.74 173.17 1ozi s LYS 66 N -3.44 4.56 0.00 -0.38 0.00 -1.26 -2.59 119.74 116.63 1ozi s LYS 66 Ca 0.25 1.68 0.00 0.00 0.00 0.00 0.00 55.97 57.90 1ozi s LYS 66 Cb -0.03 -3.32 0.00 0.00 0.00 0.00 0.00 37.83 34.48 1ozi s LYS 66 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 175.35 175.86 1ozi n GLY 67 N 2.41 2.04 3.76 0.59 0.00 0.10 -4.65 105.19 109.45 1ozi n GLY 67 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1ozi n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozi s ASP 68 N -1.92 7.10 -0.08 1.61 1.01 -1.07 -3.60 116.67 119.72 1ozi s ASP 68 Ca 0.00 2.33 -0.17 0.00 0.71 0.00 0.00 52.55 55.42 1ozi s ASP 68 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1ozi s ASP 68 CO 0.00 -0.26 0.44 -0.60 0.21 0.00 0.00 175.17 174.96 1ozi s ARG 69 N -1.63 4.22 -0.26 8.23 3.52 -0.82 -0.69 118.95 131.52 1ozi s ARG 69 Ca 0.47 0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 56.41 1ozi s ARG 69 Cb -0.33 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1ozi s ARG 69 CO 0.42 0.33 0.06 0.08 -0.81 0.00 0.00 175.30 175.37 1ozi s VAL 70 N 0.09 4.06 -0.15 7.11 1.01 0.17 -0.59 120.40 132.09 1ozi s VAL 70 Ca 0.24 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1ozi s VAL 70 Cb -0.15 -2.95 -0.23 0.00 0.00 0.00 0.00 36.38 33.05 1ozi s VAL 70 CO 0.11 0.28 0.24 0.18 0.00 0.00 0.00 175.10 175.91 1ozi n LEU 71 N 4.89 1.59 -3.87 3.92 4.77 0.11 -1.86 117.00 126.55 1ozi n LEU 71 Ca -0.16 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 1ozi n LEU 71 Cb 0.50 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1ozi n LEU 71 CO 0.31 0.66 0.44 0.00 -1.33 0.00 0.00 177.39 177.47 1ozi s ALA 72 N -2.54 -0.93 -0.30 -1.18 0.00 -0.91 -0.43 121.76 115.46 1ozi s ALA 72 Ca -0.17 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1ozi s ALA 72 Cb 0.07 0.84 0.08 0.00 0.00 0.00 0.00 23.12 24.12 1ozi s ALA 72 CO 0.76 -1.00 0.00 0.08 0.00 0.00 0.00 175.76 175.60 1ozi s VAL 73 N -3.51 1.87 -1.51 0.00 1.01 0.77 0.19 120.40 119.22 1ozi s VAL 73 Ca 0.14 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 1ozi s VAL 73 Cb -0.05 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1ozi s VAL 73 CO 0.09 -0.38 0.47 -3.20 0.00 0.00 0.00 175.10 172.07 1ozi n ASN 74 N 4.48 -5.83 0.00 3.32 5.15 0.20 -0.53 115.26 122.05 1ozi n ASN 74 Ca -0.04 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1ozi n ASN 74 Cb 0.42 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 34.99 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ozi n GLY 75 N -1.40 3.19 3.57 8.20 0.00 -1.26 -4.99 105.19 112.50 1ozi n GLY 75 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1ozi n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozi s VAL 76 N -2.92 4.22 0.20 1.61 1.01 0.32 -4.97 120.40 119.87 1ozi s VAL 76 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1ozi s VAL 76 Cb 0.00 -4.61 -0.09 0.00 0.00 0.00 0.00 36.38 31.67 1ozi s VAL 76 CO 0.00 -1.14 1.42 -0.94 0.00 0.00 0.00 175.10 174.43 1ozi s SER 77 N 2.72 6.73 -0.45 3.32 1.04 -1.26 -0.16 113.70 125.64 1ozi s SER 77 Ca 0.40 2.54 0.04 0.00 0.48 0.00 0.00 55.95 59.41 1ozi s SER 77 Cb -0.09 -2.61 0.66 0.00 0.10 0.00 0.00 66.02 64.08 1ozi s SER 77 CO 0.25 -0.67 1.90 0.18 0.98 0.00 0.00 173.24 175.89 1ozi n LEU 78 N 2.90 6.65 0.14 2.42 4.77 0.42 -4.60 117.00 129.70 1ozi n LEU 78 Ca 0.08 -3.64 0.18 0.00 -0.03 0.00 0.00 56.01 52.60 1ozi n LEU 78 Cb 0.41 -0.83 0.76 0.00 -2.33 0.00 0.00 43.42 41.43 1ozi n LEU 78 CO 0.60 1.07 1.16 1.05 -1.33 0.00 0.00 177.39 179.94 1ozi h GLU 79 N 1.03 0.00 -0.68 3.23 4.11 -1.91 -2.61 114.58 117.76 1ozi h GLU 79 Ca 0.62 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.76 1ozi h GLU 79 Cb 2.76 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 31.63 1ozi h GLU 79 CO 1.09 0.00 -1.12 0.41 0.07 0.00 0.00 179.01 179.46 1ozi n GLY 80 N -1.49 1.65 3.76 1.06 0.00 -1.26 -4.89 105.19 104.02 1ozi n GLY 80 Ca 0.04 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1ozi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi s ALA 81 N -3.28 3.47 0.51 4.61 0.00 -0.98 -5.11 121.76 120.97 1ozi s ALA 81 Ca 0.26 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1ozi s ALA 81 Cb 0.39 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1ozi s ALA 81 CO -0.01 0.41 0.25 -0.08 0.00 0.00 0.00 175.76 176.33 1ozi s THR 82 N -1.90 1.60 0.14 0.00 -1.32 -1.26 -4.87 115.64 108.03 1ozi s THR 82 Ca 0.31 -1.67 -0.25 0.00 -1.21 0.00 0.00 61.69 58.86 1ozi s THR 82 Cb -0.09 -2.28 -0.01 0.00 -1.51 0.00 0.00 72.50 68.61 1ozi s THR 82 CO 0.23 0.00 1.61 -0.74 -2.21 0.00 0.00 174.62 173.51 1ozi h HIS 83 N 1.03 -0.86 -0.95 9.09 2.76 -1.93 0.51 115.15 124.80 1ozi h HIS 83 Ca -0.40 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 57.88 1ozi h HIS 83 Cb 1.30 0.40 -0.06 0.00 1.55 0.00 0.00 27.41 30.60 1ozi h HIS 83 CO 1.10 -0.39 0.62 -0.22 -1.30 0.00 0.00 177.93 177.73 1ozi h LYS 84 N -0.37 1.07 -0.16 5.26 3.64 -1.97 -0.51 116.57 123.53 1ozi h LYS 84 Ca 0.10 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1ozi h LYS 84 Cb 0.54 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1ozi h LYS 84 CO -0.37 0.71 -0.22 1.96 -2.27 0.00 0.00 179.45 179.26 1ozi h GLN 85 N 1.10 0.43 0.31 1.90 1.08 -1.60 -0.01 115.11 118.33 1ozi h GLN 85 Ca 0.41 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1ozi h GLN 85 Cb 0.18 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1ozi h GLN 85 CO -0.16 0.83 -0.35 0.00 -0.95 0.00 0.00 178.83 178.21 1ozi h ALA 86 N 0.59 -0.72 -0.25 3.87 0.00 -0.57 -1.54 119.26 120.65 1ozi h ALA 86 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ozi h ALA 86 Cb 0.78 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ozi h ALA 86 CO 0.05 -0.95 0.05 0.28 0.00 0.00 0.00 179.25 178.68 1ozi h VAL 87 N -0.70 1.13 -0.29 0.00 2.07 -1.05 0.77 116.25 118.18 1ozi h VAL 87 Ca -0.01 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1ozi h VAL 87 Cb 0.64 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1ozi h VAL 87 CO -0.08 0.16 -0.15 -0.08 0.02 0.00 0.00 177.57 177.44 1ozi h GLU 88 N 0.35 0.51 -0.19 1.57 4.57 -0.72 -1.25 114.58 119.43 1ozi h GLU 88 Ca 0.08 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 57.96 1ozi h GLU 88 Cb 0.17 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1ozi h GLU 88 CO -0.00 0.65 -0.50 1.15 -1.18 0.00 0.00 179.01 179.13 1ozi h THR 89 N 0.47 1.32 0.00 0.32 2.02 0.17 0.37 112.91 117.58 1ozi h THR 89 Ca 0.08 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 65.50 1ozi h THR 89 Cb 0.54 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1ozi h THR 89 CO 0.03 0.53 -0.17 -0.07 0.37 0.00 0.00 175.52 176.22 1ozi h LEU 90 N 0.41 0.00 0.22 2.58 -0.00 -0.57 0.00 115.31 117.95 1ozi h LEU 90 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.57 1ozi h LEU 90 Cb 1.02 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.71 1ozi h LEU 90 CO 0.09 0.17 -1.41 -0.09 -0.00 0.00 0.00 178.44 177.20 1ozi h ARG 91 N 0.00 0.56 -0.25 1.13 9.65 -0.53 -3.24 114.38 121.70 1ozi h ARG 91 Ca -0.00 -0.90 -0.17 0.00 -1.10 0.00 0.00 59.98 57.80 1ozi h ARG 91 Cb 0.54 0.33 -0.00 0.00 -1.39 0.00 0.00 29.97 29.44 1ozi h ARG 91 CO 0.02 1.43 -0.53 -0.91 2.80 0.00 0.00 179.97 182.78 1ozi h ASN 92 N 0.17 0.81 0.63 -3.80 -0.26 -0.60 -3.34 115.58 109.19 1ozi h ASN 92 Ca -0.24 -0.43 -0.03 0.00 -0.56 0.00 0.00 56.30 55.04 1ozi h ASN 92 Cb 2.10 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 39.13 1ozi h ASN 92 CO 0.27 1.19 -0.30 0.71 -1.06 0.00 0.00 177.43 178.23 1ozi h THR 93 N 0.57 0.22 0.00 2.81 1.35 -1.11 -3.50 112.91 113.25 1ozi h THR 93 Ca 0.02 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1ozi h THR 93 Cb 1.11 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1ozi h THR 93 CO 0.11 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1ozi n GLY 94 N -0.77 0.13 0.07 5.82 0.00 -1.22 -4.96 105.19 104.27 1ozi n GLY 94 Ca -0.12 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 1ozi n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ozi h GLN 95 N 0.00 0.00 -4.87 1.61 4.15 -1.93 -3.41 115.11 110.65 1ozi h GLN 95 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.73 1ozi h GLN 95 Cb 0.00 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 27.50 1ozi h GLN 95 CO 0.00 0.42 0.16 0.08 -1.93 0.00 0.00 178.83 177.56 1ozi s VAL 96 N -2.03 4.76 -0.16 2.39 1.01 -1.26 -1.71 120.40 123.40 1ozi s VAL 96 Ca -0.14 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1ozi s VAL 96 Cb 0.01 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1ozi s VAL 96 CO 0.33 -1.09 0.12 0.68 0.00 0.00 0.00 175.10 175.14 1ozi s VAL 97 N 2.87 5.31 -0.12 2.92 -7.23 0.44 -4.87 120.40 119.72 1ozi s VAL 97 Ca 0.14 0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.40 1ozi s VAL 97 Cb -0.22 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1ozi s VAL 97 CO 0.08 0.51 0.11 -1.00 -0.31 0.00 0.00 175.10 174.50 1ozi s HIS 98 N -0.19 3.51 0.02 2.82 3.76 -1.24 -0.09 115.29 123.88 1ozi s HIS 98 Ca 0.10 0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.51 1ozi s HIS 98 Cb -0.12 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 1ozi s HIS 98 CO 0.01 0.67 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.92 1ozi s LEU 99 N -0.95 2.12 -0.52 0.89 1.02 -0.80 0.59 118.68 121.03 1ozi s LEU 99 Ca 0.14 -0.38 -0.24 0.00 0.02 0.00 0.00 54.13 53.68 1ozi s LEU 99 Cb -0.12 -0.61 0.04 0.00 0.02 0.00 0.00 46.19 45.52 1ozi s LEU 99 CO 0.03 0.07 0.91 -0.22 0.02 0.00 0.00 176.35 177.16 1ozi s LEU 100 N -0.84 4.14 0.19 1.79 2.96 0.13 -0.76 118.68 126.29 1ozi s LEU 100 Ca 0.03 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1ozi s LEU 100 Cb -0.07 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 1ozi s LEU 100 CO 0.01 -1.14 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.12 1ozi s LEU 101 N 3.77 3.21 -0.24 -0.68 1.02 -0.54 0.06 118.68 125.29 1ozi s LEU 101 Ca 0.31 -0.48 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 1ozi s LEU 101 Cb -0.12 -1.85 0.07 0.00 0.02 0.00 0.00 46.19 44.31 1ozi s LEU 101 CO 0.21 0.08 0.02 -0.70 0.02 0.00 0.00 176.35 175.98 1ozi s GLU 102 N -3.03 1.00 0.23 1.70 2.12 0.24 -1.40 118.70 119.56 1ozi s GLU 102 Ca 0.27 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1ozi s GLU 102 Cb -0.09 -2.27 -0.15 0.00 0.26 0.00 0.00 34.13 31.88 1ozi s GLU 102 CO 0.18 -0.71 0.98 1.63 -0.54 0.00 0.00 175.26 176.80 1ozi n LYS 103 N 4.87 1.05 0.00 4.30 4.76 -0.75 -1.95 118.16 130.43 1ozi n LYS 103 Ca -0.08 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1ozi n LYS 103 Cb 0.45 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozi n GLY 104 N 1.60 3.81 0.80 0.72 0.00 -1.25 -0.20 105.19 110.67 1ozi n GLY 104 Ca 0.13 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 1ozi n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ozi n GLN 105 N 0.00 1.52 -3.60 1.61 1.13 -1.24 -4.73 117.38 112.07 1ozi n GLN 105 Ca 0.00 -0.77 -0.39 0.00 -1.94 0.00 0.00 57.00 53.90 1ozi n GLN 105 Cb 0.00 0.14 -0.07 0.00 0.11 0.00 0.00 30.24 30.42 1ozi n GLN 105 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1ozi s VAL 106 N -0.97 4.31 -2.90 5.09 -7.23 -1.26 -4.29 120.40 113.15 1ozi s VAL 106 Ca 0.03 -2.96 0.25 0.00 -1.81 0.00 0.00 61.98 57.49 1ozi s VAL 106 Cb -0.00 -3.74 0.26 0.00 0.56 0.00 0.00 36.38 33.46 1ozi s VAL 106 CO 0.02 -0.95 1.36 -0.81 -0.31 0.00 0.00 175.10 174.41