#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi n PRO 10 N 0.00 0.89 -0.12 -1.58 -0.02 -1.26 -1.41 135.00 131.49 1ozi n PRO 10 Ca 0.00 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 1ozi n PRO 10 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1ozi n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ozi n GLY 11 N 2.30 0.31 3.73 -1.23 0.00 -1.18 -4.57 105.19 104.55 1ozi n GLY 11 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 7.49 -0.33 1.61 -1.08 -0.50 -4.62 116.67 119.24 1ozi s ASP 12 Ca 0.00 1.79 -0.13 0.00 -0.52 0.00 0.00 52.55 53.69 1ozi s ASP 12 Cb 0.00 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.85 1ozi s ASP 12 CO 0.00 -0.06 0.23 0.42 0.52 0.00 0.00 175.17 176.29 1ozi s THR 13 N -0.04 5.27 0.11 1.71 -4.23 -1.26 -1.09 115.64 116.11 1ozi s THR 13 Ca 0.46 -0.17 -0.23 0.00 -1.18 0.00 0.00 61.69 60.58 1ozi s THR 13 Cb -0.23 -3.68 0.06 0.00 1.34 0.00 0.00 72.50 69.99 1ozi s THR 13 CO 0.30 0.03 0.57 0.72 -0.54 0.00 0.00 174.62 175.69 1ozi s PHE 14 N 1.73 -0.49 -0.53 3.99 -0.71 -0.41 -4.99 117.98 116.57 1ozi s PHE 14 Ca 0.06 0.40 -0.24 0.00 -1.04 0.00 0.00 56.93 56.11 1ozi s PHE 14 Cb -0.17 0.46 0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1ozi s PHE 14 CO 0.11 -0.76 0.92 -1.21 -1.34 0.00 0.00 175.22 172.93 1ozi s GLU 15 N -3.19 3.35 0.20 1.99 2.02 -1.26 -0.40 118.70 121.41 1ozi s GLU 15 Ca -0.01 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1ozi s GLU 15 Cb -0.00 -4.03 -0.09 0.00 0.10 0.00 0.00 34.13 30.11 1ozi s GLU 15 CO -0.08 -1.42 1.31 0.08 0.02 0.00 0.00 175.26 175.17 1ozi s VAL 16 N 3.84 3.20 -0.48 2.63 1.01 0.23 -4.72 120.40 126.10 1ozi s VAL 16 Ca 0.31 0.99 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 1ozi s VAL 16 Cb -0.12 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.74 1ozi s VAL 16 CO 0.20 0.15 0.38 -0.70 0.00 0.00 0.00 175.10 175.13 1ozi s GLU 17 N -0.12 2.65 -0.25 2.72 2.12 -1.26 -0.06 118.70 124.50 1ozi s GLU 17 Ca 0.57 -1.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.14 1ozi s GLU 17 Cb -0.37 -4.02 -0.01 0.00 0.26 0.00 0.00 34.13 29.99 1ozi s GLU 17 CO 0.38 -1.20 0.03 -1.17 -0.54 0.00 0.00 175.26 172.76 1ozi s LEU 18 N 1.45 3.33 -0.21 2.70 1.98 0.34 -4.95 118.68 123.31 1ozi s LEU 18 Ca 0.05 -0.42 -0.14 0.00 -2.89 0.00 0.00 54.13 50.73 1ozi s LEU 18 Cb -0.27 -1.84 -0.04 0.00 0.66 0.00 0.00 46.19 44.70 1ozi s LEU 18 CO 0.01 -0.07 0.33 0.00 -1.89 0.00 0.00 176.35 174.73 1ozi s ALA 19 N 1.53 3.57 0.21 5.97 0.00 -1.26 -0.06 121.76 131.72 1ozi s ALA 19 Ca 0.05 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 1ozi s ALA 19 Cb -0.15 -2.55 -0.11 0.00 0.00 0.00 0.00 23.12 20.31 1ozi s ALA 19 CO 0.01 -0.28 1.58 0.15 0.00 0.00 0.00 175.76 177.21 1ozi s LYS 20 N 1.27 4.19 0.09 0.00 1.02 0.13 -4.78 119.74 121.66 1ozi s LYS 20 Ca 0.16 2.44 -0.24 0.00 0.02 0.00 0.00 55.97 58.35 1ozi s LYS 20 Cb -0.14 -3.11 -0.14 0.00 -0.52 0.00 0.00 37.83 33.92 1ozi s LYS 20 CO 0.07 -0.60 1.72 0.00 -0.92 0.00 0.00 175.35 175.62 1ozi h THR 21 N 3.76 0.91 0.00 2.17 1.03 -1.86 -3.46 112.91 115.46 1ozi h THR 21 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1ozi h THR 21 Cb 1.21 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.20 1ozi h THR 21 CO 0.87 0.00 0.00 -0.90 -0.01 0.00 0.00 175.52 175.48 1ozi n ASP 22 N -5.14 0.00 -3.28 0.00 5.75 -1.26 -5.02 116.55 107.60 1ozi n ASP 22 Ca -0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.46 1ozi n ASP 22 Cb 0.08 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ozi n GLY 23 N 0.00 3.03 7.00 6.12 0.00 -1.26 -5.11 105.19 114.97 1ozi n GLY 23 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozi n SER 24 N 1.59 -2.93 -4.88 1.61 2.88 -1.26 -4.88 113.62 105.75 1ozi n SER 24 Ca 0.24 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.47 1ozi n SER 24 Cb 0.50 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.00 1ozi n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ozi s LEU 25 N 0.00 2.96 -0.46 2.46 1.43 -1.26 -3.24 118.68 120.57 1ozi s LEU 25 Ca 0.00 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1ozi s LEU 25 Cb 0.00 -4.01 0.64 0.00 0.03 0.00 0.00 46.19 42.85 1ozi s LEU 25 CO 0.00 -1.26 1.90 0.61 0.23 0.00 0.00 176.35 177.83 1ozi n GLY 26 N -2.96 4.66 3.15 -3.19 0.00 -1.26 -4.93 105.19 100.67 1ozi n GLY 26 Ca 0.07 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.44 0.39 -0.01 -0.61 -4.36 -1.26 -0.33 121.20 111.58 1ozi s ILE 27 Ca 0.57 -1.90 -0.00 0.00 -0.26 0.00 0.00 60.65 59.06 1ozi s ILE 27 Cb 0.48 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 42.38 1ozi s ILE 27 CO 0.09 -0.72 0.02 -0.44 0.24 0.00 0.00 174.94 174.13 1ozi s SER 28 N -3.03 0.02 0.00 4.36 0.01 -0.43 -4.84 113.70 109.79 1ozi s SER 28 Ca 0.16 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1ozi s SER 28 Cb 0.07 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1ozi s SER 28 CO -0.03 -0.04 0.00 1.33 0.41 0.00 0.00 173.24 174.91 1ozi n VAL 29 N 3.44 0.00 -3.70 3.43 0.24 -1.26 -0.25 118.33 120.23 1ozi n VAL 29 Ca -0.17 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.08 1ozi n VAL 29 Cb 0.57 -0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 32.41 1ozi n VAL 29 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ozi s THR 30 N 0.66 0.00 -0.06 3.34 -1.32 0.18 -4.43 115.64 114.01 1ozi s THR 30 Ca 0.00 -0.54 0.05 0.00 -1.21 0.00 0.00 61.69 59.99 1ozi s THR 30 Cb 0.00 -1.76 -0.02 0.00 -1.51 0.00 0.00 72.50 69.21 1ozi s THR 30 CO 0.00 0.00 -0.20 0.54 -2.21 0.00 0.00 174.62 172.75 1ozi s VAL 31 N -3.32 2.53 -0.19 5.08 0.11 -1.26 -0.46 120.40 122.88 1ozi s VAL 31 Ca 0.10 -0.91 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1ozi s VAL 31 Cb -0.02 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.88 1ozi s VAL 31 CO -0.00 0.57 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.45 1ozi s LEU 32 N -0.37 2.49 0.00 2.54 2.01 -0.36 -4.92 118.68 120.07 1ozi s LEU 32 Ca 0.03 -0.51 0.00 0.00 0.01 0.00 0.00 54.13 53.66 1ozi s LEU 32 Cb -0.12 -1.59 0.00 0.00 0.01 0.00 0.00 46.19 44.48 1ozi s LEU 32 CO 0.02 0.01 0.00 0.49 1.01 0.00 0.00 176.35 177.88 1ozi n PHE 33 N 4.56 -0.03 -0.17 0.29 3.72 -1.26 -4.77 117.46 119.80 1ozi n PHE 33 Ca -0.20 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.23 1ozi n PHE 33 Cb 0.51 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.35 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1ozi h ASP 34 N 0.00 0.74 -3.58 4.37 3.32 -1.99 -3.34 116.42 115.94 1ozi h ASP 34 Ca 0.00 -0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.38 1ozi h ASP 34 Cb 0.00 -0.18 -0.16 0.00 0.22 0.00 0.00 39.33 39.22 1ozi h ASP 34 CO 0.00 0.52 0.06 -0.54 -1.72 0.00 0.00 179.24 177.56 1ozi s LYS 35 N -5.74 3.29 0.06 3.56 1.02 -1.26 -4.94 119.74 115.73 1ozi s LYS 35 Ca -0.10 -0.40 -0.20 0.00 0.02 0.00 0.00 55.97 55.29 1ozi s LYS 35 Cb 0.18 -3.94 -0.11 0.00 -0.52 0.00 0.00 37.83 33.44 1ozi s LYS 35 CO 0.77 -0.95 1.45 0.78 -0.92 0.00 0.00 175.35 176.48 1ozi h GLY 36 N 9.53 0.42 0.00 -3.33 0.00 -1.87 -3.47 103.07 104.35 1ozi h GLY 36 Ca -0.26 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1ozi h GLY 36 CO 0.87 0.32 0.00 0.61 0.00 0.00 0.00 176.54 178.34 1ozi n GLY 37 N -0.11 1.67 2.00 4.60 0.00 -1.26 -4.19 105.19 107.90 1ozi n GLY 37 Ca -0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 1ozi n GLY 37 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ozi n VAL 38 N 0.00 2.88 -0.14 1.61 0.24 -1.26 -4.98 118.33 116.68 1ozi n VAL 38 Ca 0.00 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 1ozi n VAL 38 Cb 0.00 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 1ozi n VAL 38 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ozi n ASN 39 N -0.14 -2.51 -4.85 -1.34 3.02 -1.26 -5.01 115.26 103.17 1ozi n ASN 39 Ca 0.41 0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.67 1ozi n ASN 39 Cb 1.38 0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 41.04 1ozi n ASN 39 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ozi s THR 40 N -1.05 5.10 -0.09 3.41 -1.32 -1.26 -4.80 115.64 115.62 1ozi s THR 40 Ca 0.00 0.71 0.12 0.00 -1.21 0.00 0.00 61.69 61.31 1ozi s THR 40 Cb 0.00 -3.66 0.22 0.00 -1.51 0.00 0.00 72.50 67.55 1ozi s THR 40 CO 0.00 0.54 1.11 -1.20 -2.21 0.00 0.00 174.62 172.86 1ozi n SER 41 N 1.70 1.39 -4.29 8.08 7.64 -1.26 -4.95 113.62 121.93 1ozi n SER 41 Ca -0.14 -2.74 -0.44 0.00 1.01 0.00 0.00 58.87 56.56 1ozi n SER 41 Cb 0.53 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1ozi n SER 41 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ozi n VAL 42 N -0.77 4.30 0.03 0.44 0.31 -1.26 -4.38 118.33 117.00 1ozi n VAL 42 Ca 0.10 -4.67 0.03 0.00 -0.01 0.00 0.00 64.34 59.79 1ozi n VAL 42 Cb 0.71 -2.43 -0.08 0.00 -0.91 0.00 0.00 33.84 31.12 1ozi n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ozi n ARG 43 N 5.01 0.63 -3.61 5.55 3.00 -1.26 -4.92 116.66 121.07 1ozi n ARG 43 Ca 0.37 0.13 -0.11 0.00 -0.01 0.00 0.00 57.85 58.23 1ozi n ARG 43 Cb 0.41 -1.75 -0.06 0.00 0.00 0.00 0.00 32.46 31.05 1ozi n ARG 43 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1ozi s HIS 44 N -3.05 -0.50 0.00 -1.55 -3.43 -1.26 -5.10 115.29 100.40 1ozi s HIS 44 Ca -0.04 1.09 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 1ozi s HIS 44 Cb 0.09 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 1ozi s HIS 44 CO 0.82 -0.32 0.00 0.41 -2.00 0.00 0.00 174.74 173.66 1ozi n GLY 45 N 1.71 -2.51 0.01 -1.38 0.00 -1.26 -4.99 105.19 96.76 1ozi n GLY 45 Ca -0.13 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1ozi n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 46 N 0.10 -1.05 3.67 -0.02 0.00 -1.22 -4.58 105.19 102.09 1ozi n GLY 46 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.16 5.32 -0.22 -0.61 -1.09 -1.20 -1.23 121.20 119.01 1ozi s ILE 47 Ca 0.04 0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.64 1ozi s ILE 47 Cb 0.15 -3.46 0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1ozi s ILE 47 CO 0.86 0.38 -0.15 -0.47 -1.23 0.00 0.00 174.94 174.33 1ozi s TYR 48 N 0.85 3.04 -0.33 3.97 6.14 0.40 -0.40 117.35 131.02 1ozi s TYR 48 Ca 0.07 -2.03 -0.30 0.00 0.64 0.00 0.00 57.07 55.46 1ozi s TYR 48 Cb -0.13 -1.92 -0.08 0.00 0.42 0.00 0.00 41.96 40.25 1ozi s TYR 48 CO 0.03 -0.85 2.26 0.28 0.64 0.00 0.00 175.55 177.91 1ozi n VAL 49 N 4.52 0.21 0.04 3.14 0.31 -0.64 -0.65 118.33 125.26 1ozi n VAL 49 Ca -0.17 -0.44 -0.17 0.00 -0.01 0.00 0.00 64.34 63.55 1ozi n VAL 49 Cb 0.45 -2.25 -0.14 0.00 -0.91 0.00 0.00 33.84 30.99 1ozi n VAL 49 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ozi h LYS 50 N 14.91 0.23 -2.83 5.55 3.64 -0.83 0.61 116.57 137.86 1ozi h LYS 50 Ca -0.33 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 58.59 1ozi h LYS 50 Cb 1.27 0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 33.08 1ozi h LYS 50 CO 1.03 1.07 0.01 0.00 -2.27 0.00 0.00 179.45 179.28 1ozi s ALA 51 N -2.60 -1.26 -0.29 5.00 0.00 -0.31 -4.75 121.76 117.55 1ozi s ALA 51 Ca -0.12 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 1ozi s ALA 51 Cb 0.07 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1ozi s ALA 51 CO 0.83 -0.50 0.07 0.42 0.00 0.00 0.00 175.76 176.58 1ozi s ILE 52 N -2.46 3.84 0.27 0.00 -1.09 -1.26 -1.31 121.20 119.19 1ozi s ILE 52 Ca -0.05 -0.77 -0.19 0.00 -2.23 0.00 0.00 60.65 57.40 1ozi s ILE 52 Cb -0.01 -3.00 -0.09 0.00 -1.58 0.00 0.00 42.46 37.79 1ozi s ILE 52 CO -0.02 0.06 0.76 -0.63 -1.23 0.00 0.00 174.94 173.89 1ozi s ILE 53 N 1.47 4.55 0.00 2.92 1.09 0.55 -4.92 121.20 126.86 1ozi s ILE 53 Ca 0.02 1.27 0.00 0.00 -1.10 0.00 0.00 60.65 60.84 1ozi s ILE 53 Cb -0.17 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 1ozi s ILE 53 CO 0.02 0.07 0.39 -2.65 -0.10 0.00 0.00 174.94 172.67 1ozi n PRO 54 N 0.36 0.00 0.00 2.79 -0.02 -1.26 -3.39 135.00 133.47 1ozi n PRO 54 Ca 0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1ozi n PRO 54 Cb 0.52 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1ozi n PRO 54 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ozi n LYS 55 N 2.80 -0.06 0.00 -0.52 3.00 -1.26 -5.11 118.16 117.01 1ozi n LYS 55 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1ozi n LYS 55 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 35.03 34.47 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 -0.01 1.52 5.47 3.14 0.00 -1.22 -4.74 105.19 109.35 1ozi n GLY 56 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 9.20 0.00 0.05 4.61 0.00 -1.26 -2.58 120.51 130.52 1ozi n ALA 57 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ozi n ALA 57 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.61 0.80 -0.17 0.00 0.00 -1.87 -1.28 119.26 116.13 1ozi h ALA 58 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1ozi h ALA 58 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ozi h ALA 58 CO 0.00 0.70 -0.47 1.49 0.00 0.00 0.00 179.25 180.97 1ozi h GLU 59 N 0.30 0.62 0.00 0.00 4.81 -1.69 0.18 114.58 118.80 1ozi h GLU 59 Ca 0.00 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1ozi h GLU 59 Cb 1.07 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1ozi h GLU 59 CO 0.10 1.06 -0.00 0.77 -0.73 0.00 0.00 179.01 180.20 1ozi h SER 60 N 0.28 -0.00 1.12 1.04 0.02 -1.68 -2.67 113.55 111.65 1ozi h SER 60 Ca -0.01 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1ozi h SER 60 Cb 1.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1ozi h SER 60 CO 0.10 0.50 -0.05 0.44 -1.14 0.00 0.00 176.83 176.68 1ozi h ASP 61 N -0.51 0.00 -4.92 3.07 5.19 -1.36 -3.47 116.42 114.42 1ozi h ASP 61 Ca -0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 1ozi h ASP 61 Cb 0.51 0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.14 1ozi h ASP 61 CO 0.00 0.05 -0.58 0.61 -3.12 0.00 0.00 179.24 176.21 1ozi n GLY 62 N 0.19 -0.24 0.14 2.75 0.00 -0.02 -4.94 105.19 103.08 1ozi n GLY 62 Ca 0.01 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.91 0.48 -4.96 1.61 1.74 -0.79 -4.97 116.66 105.87 1ozi n ARG 63 Ca -0.08 0.13 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 1ozi n ARG 63 Cb 0.58 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.39 2.80 0.25 0.55 1.01 -1.24 -5.02 121.20 117.16 1ozi s ILE 64 Ca -0.27 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1ozi s ILE 64 Cb 0.07 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1ozi s ILE 64 CO 0.43 0.57 0.15 -2.28 0.00 0.00 0.00 174.94 173.81 1ozi s HIS 65 N -0.32 1.38 -0.08 3.97 2.46 -1.26 -4.32 115.29 117.11 1ozi s HIS 65 Ca 0.02 -1.39 -0.30 0.00 0.47 0.00 0.00 55.06 53.86 1ozi s HIS 65 Cb -0.13 -0.69 -0.08 0.00 -0.13 0.00 0.00 32.58 31.56 1ozi s HIS 65 CO 0.02 -0.61 2.06 1.63 -2.47 0.00 0.00 174.74 175.38 1ozi n LYS 66 N -0.40 2.40 0.00 2.88 5.02 -1.26 -1.51 118.16 125.28 1ozi n LYS 66 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1ozi n LYS 66 Cb 0.65 -3.03 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 1ozi n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ozi n GLY 67 N 5.05 1.45 3.76 0.72 0.00 0.21 -4.27 105.19 112.10 1ozi n GLY 67 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.96 6.61 -0.23 1.61 1.01 -0.57 -2.47 116.67 120.68 1ozi s ASP 68 Ca 0.00 2.76 -0.17 0.00 0.71 0.00 0.00 52.55 55.86 1ozi s ASP 68 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1ozi s ASP 68 CO 0.00 -0.70 0.45 -0.60 0.21 0.00 0.00 175.17 174.53 1ozi s ARG 69 N -1.12 4.13 -0.28 8.23 3.52 -0.76 -1.62 118.95 131.05 1ozi s ARG 69 Ca 0.55 0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 56.30 1ozi s ARG 69 Cb -0.42 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.33 1ozi s ARG 69 CO 0.50 -0.18 0.19 0.08 -0.81 0.00 0.00 175.30 175.08 1ozi s VAL 70 N 1.74 5.23 -0.24 7.11 1.01 0.46 -0.70 120.40 135.01 1ozi s VAL 70 Ca 0.20 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 1ozi s VAL 70 Cb -0.15 -3.51 -0.17 0.00 0.00 0.00 0.00 36.38 32.55 1ozi s VAL 70 CO 0.09 0.23 -0.15 0.18 0.00 0.00 0.00 175.10 175.45 1ozi n LEU 71 N 5.05 2.52 -3.94 3.92 4.77 0.19 -3.25 117.00 126.26 1ozi n LEU 71 Ca -0.14 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1ozi n LEU 71 Cb 0.52 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1ozi n LEU 71 CO 0.33 0.76 0.31 0.00 -1.33 0.00 0.00 177.39 177.46 1ozi s ALA 72 N -2.51 -0.50 -0.22 -1.18 0.00 0.37 -2.15 121.76 115.58 1ozi s ALA 72 Ca -0.34 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1ozi s ALA 72 Cb 0.10 0.96 0.04 0.00 0.00 0.00 0.00 23.12 24.23 1ozi s ALA 72 CO 0.59 -0.92 -0.13 0.08 0.00 0.00 0.00 175.76 175.37 1ozi s VAL 73 N -3.66 2.01 -0.75 0.00 1.01 0.10 0.62 120.40 119.74 1ozi s VAL 73 Ca 0.19 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1ozi s VAL 73 Cb -0.03 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1ozi s VAL 73 CO 0.10 0.19 0.00 -0.46 0.00 0.00 0.00 175.10 174.92 1ozi n ASN 74 N 4.55 -3.05 0.00 3.32 0.23 0.23 0.08 115.26 120.62 1ozi n ASN 74 Ca -0.16 0.28 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1ozi n ASN 74 Cb 0.45 -2.64 0.00 0.00 -2.08 0.00 0.00 39.78 35.52 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ozi n GLY 75 N -0.71 1.76 3.62 4.83 0.00 -1.26 -5.05 105.19 108.38 1ozi n GLY 75 Ca -0.10 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.04 4.39 0.09 1.61 1.01 0.11 -4.89 120.40 120.69 1ozi s VAL 76 Ca 0.00 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1ozi s VAL 76 Cb 0.00 -4.49 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 1ozi s VAL 76 CO 0.00 -0.69 1.16 -0.94 0.00 0.00 0.00 175.10 174.62 1ozi s SER 77 N 1.98 7.15 0.00 3.32 1.04 -1.26 0.01 113.70 125.94 1ozi s SER 77 Ca 0.46 2.01 0.07 0.00 0.48 0.00 0.00 55.95 58.97 1ozi s SER 77 Cb -0.10 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.68 1ozi s SER 77 CO 0.22 -0.39 1.19 0.18 0.98 0.00 0.00 173.24 175.42 1ozi n LEU 78 N 3.53 1.04 -4.58 2.42 7.99 -0.91 -4.77 117.00 121.71 1ozi n LEU 78 Ca 0.07 -0.51 -0.42 0.00 -0.01 0.00 0.00 56.01 55.14 1ozi n LEU 78 Cb 0.47 -0.12 -0.03 0.00 -0.11 0.00 0.00 43.42 43.63 1ozi n LEU 78 CO 0.55 0.26 1.35 -1.61 -1.51 0.00 0.00 177.39 176.42 1ozi s GLU 79 N -1.75 3.28 0.00 3.23 2.02 -1.26 -0.78 118.70 123.44 1ozi s GLU 79 Ca 0.15 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.91 1ozi s GLU 79 Cb 0.08 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.16 1ozi s GLU 79 CO 0.10 -1.94 0.00 0.41 0.02 0.00 0.00 175.26 173.85 1ozi n GLY 80 N 5.30 0.97 3.78 -1.39 0.00 -1.26 -5.07 105.19 107.52 1ozi n GLY 80 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.51 0.62 4.61 0.00 0.04 -5.12 121.76 123.42 1ozi s ALA 81 Ca 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 1ozi s ALA 81 Cb 0.00 -1.30 0.06 0.00 0.00 0.00 0.00 23.12 21.88 1ozi s ALA 81 CO 0.00 0.48 0.87 -0.08 0.00 0.00 0.00 175.76 177.04 1ozi s THR 82 N -1.77 2.46 0.18 0.00 -1.32 -1.26 -4.90 115.64 109.02 1ozi s THR 82 Ca 0.31 -0.59 -0.16 0.00 -1.21 0.00 0.00 61.69 60.04 1ozi s THR 82 Cb -0.10 -2.87 0.14 0.00 -1.51 0.00 0.00 72.50 68.17 1ozi s THR 82 CO 0.23 0.00 1.65 -0.74 -2.21 0.00 0.00 174.62 173.55 1ozi h HIS 83 N -0.20 -0.25 -0.45 9.09 2.76 -1.91 -0.60 115.15 123.59 1ozi h HIS 83 Ca -0.41 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 57.90 1ozi h HIS 83 Cb 1.29 0.19 -0.09 0.00 1.55 0.00 0.00 27.41 30.35 1ozi h HIS 83 CO 0.20 -0.21 -0.13 -0.22 -1.30 0.00 0.00 177.93 176.27 1ozi h LYS 84 N -0.00 -0.02 -0.16 5.26 3.64 -1.99 -1.98 116.57 121.32 1ozi h LYS 84 Ca 0.23 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1ozi h LYS 84 Cb 0.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ozi h LYS 84 CO -0.49 -0.02 -0.51 1.96 -2.27 0.00 0.00 179.45 178.12 1ozi h GLN 85 N -0.02 0.45 0.17 1.90 1.08 -1.53 0.35 115.11 117.51 1ozi h GLN 85 Ca 0.22 -0.27 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1ozi h GLN 85 Cb 0.35 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1ozi h GLN 85 CO -0.47 0.85 -0.22 0.00 -0.95 0.00 0.00 178.83 178.04 1ozi h ALA 86 N 1.10 -0.42 -0.11 3.87 0.00 -0.93 -1.10 119.26 121.66 1ozi h ALA 86 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ozi h ALA 86 Cb 1.02 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1ozi h ALA 86 CO 0.09 -0.77 -0.24 0.28 0.00 0.00 0.00 179.25 178.61 1ozi h VAL 87 N -0.45 1.22 -0.08 0.00 2.07 -0.82 -1.76 116.25 116.43 1ozi h VAL 87 Ca 0.01 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1ozi h VAL 87 Cb 0.45 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1ozi h VAL 87 CO -0.09 0.31 -0.25 -0.33 0.02 0.00 0.00 177.57 177.24 1ozi h GLU 88 N 0.18 0.14 0.01 1.57 4.39 0.07 0.18 114.58 121.12 1ozi h GLU 88 Ca 0.03 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 1ozi h GLU 88 Cb 0.53 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1ozi h GLU 88 CO 0.04 0.39 -0.95 1.15 -1.16 0.00 0.00 179.01 178.48 1ozi h THR 89 N 0.13 1.64 0.00 1.13 2.02 -0.41 -0.68 112.91 116.74 1ozi h THR 89 Ca 0.02 -3.12 -0.06 0.00 0.77 0.00 0.00 66.41 64.03 1ozi h THR 89 Cb 0.52 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1ozi h THR 89 CO 0.04 0.89 -0.28 -0.07 0.37 0.00 0.00 175.52 176.47 1ozi h LEU 90 N 0.02 0.00 0.00 2.58 3.38 -0.38 -1.20 115.31 119.71 1ozi h LEU 90 Ca -0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1ozi h LEU 90 Cb 1.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 1ozi h LEU 90 CO 0.13 0.28 -1.23 -0.09 0.09 0.00 0.00 178.44 177.61 1ozi h ARG 91 N 0.00 0.00 0.04 1.13 2.43 -0.57 -3.34 114.38 114.07 1ozi h ARG 91 Ca -0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 1ozi h ARG 91 Cb 0.77 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1ozi h ARG 91 CO 0.04 0.54 -1.03 -0.97 -1.51 0.00 0.00 179.97 177.04 1ozi h ASN 92 N 0.00 0.39 0.00 -3.80 -0.73 -0.46 -3.39 115.58 107.59 1ozi h ASN 92 Ca -0.13 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 57.68 1ozi h ASN 92 Cb 1.71 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.17 1ozi h ASN 92 CO 0.08 1.20 0.00 0.35 -0.37 0.00 0.00 177.43 178.68 1ozi n THR 93 N -3.63 0.00 0.00 -3.57 -2.24 -0.51 -5.04 114.28 99.29 1ozi n THR 93 Ca -0.06 1.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.98 1ozi n THR 93 Cb 0.90 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1ozi n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozi n GLY 94 N -0.78 0.18 0.09 3.38 0.00 -1.26 -4.93 105.19 101.87 1ozi n GLY 94 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 0.12 -5.30 1.61 4.15 -1.96 -3.43 115.11 110.30 1ozi h GLN 95 Ca 0.00 -0.10 -0.68 0.00 0.77 0.00 0.00 58.65 58.64 1ozi h GLN 95 Cb 0.00 0.02 -0.33 0.00 0.21 0.00 0.00 27.48 27.38 1ozi h GLN 95 CO 0.00 0.76 -0.87 0.54 -1.93 0.00 0.00 178.83 177.33 1ozi s VAL 96 N -3.58 2.12 -0.24 2.39 0.11 -1.26 -0.69 120.40 119.25 1ozi s VAL 96 Ca -0.16 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 57.82 1ozi s VAL 96 Cb 0.01 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 1ozi s VAL 96 CO 0.71 0.55 0.10 -0.69 -3.33 0.00 0.00 175.10 172.45 1ozi s VAL 97 N 0.46 4.76 -0.40 2.04 1.01 0.92 -4.94 120.40 124.24 1ozi s VAL 97 Ca -0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1ozi s VAL 97 Cb -0.17 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1ozi s VAL 97 CO 0.06 0.35 0.52 -1.00 0.00 0.00 0.00 175.10 175.03 1ozi s HIS 98 N 1.30 3.14 -0.13 5.22 3.76 -1.26 -0.51 115.29 126.81 1ozi s HIS 98 Ca 0.06 -0.10 0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1ozi s HIS 98 Cb -0.15 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1ozi s HIS 98 CO 0.05 -0.70 -0.20 -1.17 -0.85 0.00 0.00 174.74 171.86 1ozi s LEU 99 N 2.43 2.24 -0.43 0.89 2.96 0.91 0.74 118.68 128.43 1ozi s LEU 99 Ca 0.17 -0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 53.30 1ozi s LEU 99 Cb -0.16 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.08 1ozi s LEU 99 CO 0.15 0.11 0.88 -0.22 -1.32 0.00 0.00 176.35 175.95 1ozi s LEU 100 N 0.63 4.07 0.46 -0.68 0.20 0.20 0.77 118.68 124.33 1ozi s LEU 100 Ca -0.10 0.21 0.04 0.00 0.69 0.00 0.00 54.13 54.96 1ozi s LEU 100 Cb -0.16 -3.14 -0.04 0.00 -0.43 0.00 0.00 46.19 42.42 1ozi s LEU 100 CO 0.02 -0.94 0.01 -0.76 -0.29 0.00 0.00 176.35 174.40 1ozi s LEU 101 N 3.51 2.53 -0.09 -0.68 1.02 0.47 -0.48 118.68 124.97 1ozi s LEU 101 Ca 0.35 -1.53 0.01 0.00 0.02 0.00 0.00 54.13 52.99 1ozi s LEU 101 Cb -0.11 -0.78 0.02 0.00 0.02 0.00 0.00 46.19 45.33 1ozi s LEU 101 CO 0.23 -0.68 -0.11 -0.70 0.02 0.00 0.00 176.35 175.11 1ozi s GLU 102 N -3.80 1.71 0.16 1.70 2.12 0.13 -1.29 118.70 119.43 1ozi s GLU 102 Ca 0.19 -0.38 -0.34 0.00 0.36 0.00 0.00 54.97 54.81 1ozi s GLU 102 Cb 0.05 -1.54 -0.15 0.00 0.26 0.00 0.00 34.13 32.76 1ozi s GLU 102 CO 0.10 -0.09 1.42 1.17 -0.54 0.00 0.00 175.26 177.32 1ozi n LYS 103 N 4.28 1.73 -0.33 4.30 3.00 -0.25 -1.82 118.16 129.07 1ozi n LYS 103 Ca -0.19 0.62 -0.06 0.00 -0.00 0.00 0.00 58.31 58.68 1ozi n LYS 103 Cb 0.51 -2.30 0.05 0.00 0.00 0.00 0.00 35.03 33.29 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 104 N 2.72 -1.66 0.30 3.14 0.00 -1.26 -3.09 105.19 105.33 1ozi n GLY 104 Ca 0.16 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1ozi n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ozi h GLN 105 N 0.00 0.89 -5.21 1.61 7.50 -1.76 -3.43 115.11 114.72 1ozi h GLN 105 Ca -0.09 -0.25 -0.55 0.00 0.50 0.00 0.00 58.65 58.26 1ozi h GLN 105 Cb 0.25 -0.10 -0.31 0.00 0.05 0.00 0.00 27.48 27.36 1ozi h GLN 105 CO 0.06 0.88 -0.83 0.14 -1.50 0.00 0.00 178.83 177.58 1ozi s VAL 106 N -5.02 1.37 -2.25 -0.54 -7.23 -1.26 -5.03 120.40 100.44 1ozi s VAL 106 Ca -0.10 -0.68 0.30 0.00 -1.81 0.00 0.00 61.98 59.69 1ozi s VAL 106 Cb 0.14 -1.18 0.73 0.00 0.56 0.00 0.00 36.38 36.63 1ozi s VAL 106 CO 0.83 0.40 1.99 -0.81 -0.31 0.00 0.00 175.10 177.19