#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 1.78 0.00 -1.58 -0.02 -1.26 -1.46 135.00 132.46 1ozi n PRO 10 Ca 0.00 -1.13 0.00 0.00 -2.02 0.00 0.00 63.50 60.35 1ozi n PRO 10 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.32 0.00 3.87 -1.23 0.00 -1.21 -4.81 105.19 105.12 1ozi n GLY 11 Ca 0.38 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 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 6.08 -0.34 1.61 2.15 -0.53 -4.68 116.67 120.96 1ozi s ASP 12 Ca 0.00 0.21 -0.20 0.00 0.43 0.00 0.00 52.55 52.99 1ozi s ASP 12 Cb 0.00 -1.82 -0.00 0.00 -0.30 0.00 0.00 42.92 40.80 1ozi s ASP 12 CO 0.00 0.20 0.62 0.42 -0.17 0.00 0.00 175.17 176.24 1ozi s THR 13 N -1.40 4.92 -0.17 1.71 -4.23 -1.25 -1.08 115.64 114.13 1ozi s THR 13 Ca 0.30 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1ozi s THR 13 Cb -0.13 -4.04 0.03 0.00 1.34 0.00 0.00 72.50 69.71 1ozi s THR 13 CO 0.23 -0.25 -0.10 0.72 -0.54 0.00 0.00 174.62 174.67 1ozi s PHE 14 N 2.64 2.13 -0.92 3.99 -0.71 0.74 -4.94 117.98 120.91 1ozi s PHE 14 Ca 0.24 -1.32 -0.24 0.00 -1.04 0.00 0.00 56.93 54.57 1ozi s PHE 14 Cb -0.15 -1.53 0.03 0.00 -1.21 0.00 0.00 43.02 40.16 1ozi s PHE 14 CO 0.14 -0.68 1.51 -1.21 -1.34 0.00 0.00 175.22 173.64 1ozi s GLU 15 N 1.49 3.31 0.23 1.99 2.02 -1.26 -0.99 118.70 125.50 1ozi s GLU 15 Ca 0.02 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 1ozi s GLU 15 Cb -0.15 -5.03 -0.09 0.00 0.10 0.00 0.00 34.13 28.97 1ozi s GLU 15 CO -0.09 -2.40 1.10 0.54 0.02 0.00 0.00 175.26 174.43 1ozi s VAL 16 N 6.10 3.64 -0.68 2.63 0.11 0.35 -4.79 120.40 127.76 1ozi s VAL 16 Ca 0.48 1.54 -0.17 0.00 -2.93 0.00 0.00 61.98 60.91 1ozi s VAL 16 Cb -0.03 -3.98 0.14 0.00 -1.53 0.00 0.00 36.38 30.97 1ozi s VAL 16 CO -0.02 0.32 0.73 -1.61 -3.33 0.00 0.00 175.10 171.20 1ozi s GLU 17 N -0.96 3.24 -0.41 1.54 2.02 -1.26 -0.72 118.70 122.15 1ozi s GLU 17 Ca 0.47 -1.74 -0.17 0.00 0.02 0.00 0.00 54.97 53.55 1ozi s GLU 17 Cb -0.31 -4.40 0.01 0.00 0.10 0.00 0.00 34.13 29.54 1ozi s GLU 17 CO 0.38 -1.47 0.43 -1.17 0.02 0.00 0.00 175.26 173.46 1ozi s LEU 18 N 1.84 4.77 -0.13 1.80 1.98 0.13 -4.91 118.68 124.16 1ozi s LEU 18 Ca 0.14 -0.57 -0.16 0.00 -2.89 0.00 0.00 54.13 50.65 1ozi s LEU 18 Cb -0.19 -2.39 -0.04 0.00 0.66 0.00 0.00 46.19 44.22 1ozi s LEU 18 CO -0.00 -0.54 0.39 0.00 -1.89 0.00 0.00 176.35 174.31 1ozi s ALA 19 N 2.14 3.54 -0.10 5.97 0.00 -1.26 -0.42 121.76 131.63 1ozi s ALA 19 Ca 0.12 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.53 1ozi s ALA 19 Cb -0.17 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1ozi s ALA 19 CO 0.13 0.06 0.74 0.15 0.00 0.00 0.00 175.76 176.84 1ozi s LYS 20 N 0.49 4.39 0.02 0.00 1.02 0.94 -4.07 119.74 122.53 1ozi s LYS 20 Ca 0.21 0.91 -0.18 0.00 0.02 0.00 0.00 55.97 56.94 1ozi s LYS 20 Cb -0.14 -3.49 -0.28 0.00 -0.52 0.00 0.00 37.83 33.40 1ozi s LYS 20 CO 0.07 -0.06 1.06 0.00 -0.92 0.00 0.00 175.35 175.50 1ozi h THR 21 N 4.90 1.37 0.00 2.17 1.03 -1.86 -3.46 112.91 117.06 1ozi h THR 21 Ca -0.37 -2.36 0.00 0.00 -0.01 0.00 0.00 66.41 63.67 1ozi h THR 21 Cb 1.18 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 71.01 1ozi h THR 21 CO 0.77 0.70 0.00 -0.67 -0.01 0.00 0.00 175.52 176.31 1ozi n ASP 22 N -3.98 -0.41 -3.39 0.00 -0.08 -1.26 -5.02 116.55 102.42 1ozi n ASP 22 Ca -0.13 0.10 -0.39 0.00 -1.51 0.00 0.00 54.79 52.86 1ozi n ASP 22 Cb 0.87 0.72 -0.02 0.00 2.34 0.00 0.00 41.12 45.03 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ozi n GLY 23 N -1.49 4.55 6.81 0.27 0.00 -1.26 -4.93 105.19 109.15 1ozi n GLY 23 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.35 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ozi n SER 24 N 3.13 -5.48 -4.77 1.61 3.41 -1.26 -4.78 113.62 105.47 1ozi n SER 24 Ca 0.72 0.05 -0.35 0.00 -0.26 0.00 0.00 58.87 59.03 1ozi n SER 24 Cb 0.24 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1ozi n SER 24 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ozi s LEU 25 N 0.00 3.68 0.00 1.04 1.43 -1.26 -4.51 118.68 119.06 1ozi s LEU 25 Ca 0.00 2.20 0.17 0.00 -1.03 0.00 0.00 54.13 55.48 1ozi s LEU 25 Cb 0.00 -4.58 0.58 0.00 0.03 0.00 0.00 46.19 42.22 1ozi s LEU 25 CO 0.00 -1.37 1.44 0.61 0.23 0.00 0.00 176.35 177.27 1ozi n GLY 26 N 0.16 0.51 3.63 -3.19 0.00 -1.26 -4.84 105.19 100.19 1ozi n GLY 26 Ca 0.12 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.67 4.81 -0.35 -0.61 -4.36 -1.26 0.01 121.20 117.77 1ozi s ILE 27 Ca 0.30 -0.02 -0.14 0.00 -0.26 0.00 0.00 60.65 60.52 1ozi s ILE 27 Cb 0.16 -3.18 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 1ozi s ILE 27 CO 0.23 0.44 0.32 -0.55 0.24 0.00 0.00 174.94 175.62 1ozi s SER 28 N 0.49 6.13 0.23 4.36 0.15 0.44 -4.97 113.70 120.53 1ozi s SER 28 Ca 0.04 -0.37 0.09 0.00 0.70 0.00 0.00 55.95 56.40 1ozi s SER 28 Cb -0.13 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1ozi s SER 28 CO 0.01 -0.32 -0.00 0.68 1.20 0.00 0.00 173.24 174.80 1ozi s VAL 29 N 1.90 3.55 0.22 4.45 -7.23 -1.26 0.06 120.40 122.08 1ozi s VAL 29 Ca 0.09 -1.72 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 1ozi s VAL 29 Cb -0.17 -2.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1ozi s VAL 29 CO 0.11 -0.27 -0.10 0.28 -0.31 0.00 0.00 175.10 174.81 1ozi s THR 30 N -2.07 1.59 -0.03 5.32 -1.32 0.97 -4.80 115.64 115.30 1ozi s THR 30 Ca 0.30 -2.16 -0.09 0.00 -1.21 0.00 0.00 61.69 58.53 1ozi s THR 30 Cb -0.08 -2.17 -0.05 0.00 -1.51 0.00 0.00 72.50 68.70 1ozi s THR 30 CO 0.19 -0.50 0.48 1.62 -2.21 0.00 0.00 174.62 174.20 1ozi h VAL 31 N 2.49 0.00 -1.14 5.08 3.04 -1.83 0.57 116.25 124.45 1ozi h VAL 31 Ca -0.38 -0.46 0.16 0.00 -1.01 0.00 0.00 66.70 65.00 1ozi h VAL 31 Cb 1.22 0.00 -0.26 0.00 -2.01 0.00 0.00 31.29 30.24 1ozi h VAL 31 CO 0.64 0.00 0.33 -0.22 -1.01 0.00 0.00 177.57 177.31 1ozi s LEU 32 N -7.56 -0.49 -0.48 3.16 0.20 -1.26 -2.59 118.68 109.67 1ozi s LEU 32 Ca -0.05 0.71 -0.25 0.00 0.69 0.00 0.00 54.13 55.23 1ozi s LEU 32 Cb 0.00 1.62 0.03 0.00 -0.43 0.00 0.00 46.19 47.41 1ozi s LEU 32 CO 0.15 -0.10 0.92 0.72 -0.29 0.00 0.00 176.35 177.74 1ozi s PHE 33 N 1.94 2.89 -0.54 5.38 -0.71 -1.26 -4.95 117.98 120.74 1ozi s PHE 33 Ca -0.05 0.28 -0.26 0.00 -1.04 0.00 0.00 56.93 55.86 1ozi s PHE 33 Cb -0.05 -3.98 -0.06 0.00 -1.21 0.00 0.00 43.02 37.73 1ozi s PHE 33 CO -0.16 -1.15 2.28 0.34 -1.34 0.00 0.00 175.22 175.18 1ozi s ASP 34 N 2.39 4.60 -0.04 1.98 2.15 -1.26 -4.57 116.67 121.92 1ozi s ASP 34 Ca 0.35 0.83 0.14 0.00 0.43 0.00 0.00 52.55 54.30 1ozi s ASP 34 Cb -0.11 -2.51 0.26 0.00 -0.30 0.00 0.00 42.92 40.26 1ozi s ASP 34 CO 0.25 -2.82 1.11 0.29 -0.17 0.00 0.00 175.17 173.83 1ozi n LYS 35 N 9.04 0.30 0.00 4.34 5.02 -1.26 -5.06 118.16 130.54 1ozi n LYS 35 Ca 0.33 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 1ozi n LYS 35 Cb 0.54 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ozi n GLY 36 N -0.05 0.97 3.65 0.72 0.00 -1.26 -4.94 105.19 104.28 1ozi n GLY 36 Ca 0.06 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 0.34 0.00 -0.02 0.00 -1.26 -4.65 107.32 101.73 1ozi s GLY 37 Ca 0.00 3.50 0.26 0.00 0.00 0.00 0.00 44.72 48.48 1ozi s GLY 37 CO 0.00 2.61 1.95 3.33 0.00 0.00 0.00 173.10 181.00 1ozi n VAL 38 N 3.20 0.00 0.00 1.40 0.24 -1.26 -4.24 118.33 117.67 1ozi n VAL 38 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1ozi n VAL 38 Cb 0.57 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 1ozi n VAL 38 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ozi n ASN 39 N -0.93 0.00 -3.78 -1.34 0.23 -1.26 -4.93 115.26 103.25 1ozi n ASN 39 Ca 0.19 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.94 1ozi n ASN 39 Cb 0.09 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.64 1ozi n ASN 39 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1ozi s THR 40 N -0.72 1.07 -0.20 5.53 -4.23 -1.26 -4.94 115.64 110.89 1ozi s THR 40 Ca 0.00 -1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1ozi s THR 40 Cb 0.00 -1.77 -0.10 0.00 1.34 0.00 0.00 72.50 71.97 1ozi s THR 40 CO 0.00 -0.61 -0.23 -1.20 -0.54 0.00 0.00 174.62 172.04 1ozi n SER 41 N 4.77 1.85 0.16 3.99 7.64 -1.26 -4.22 113.62 126.54 1ozi n SER 41 Ca -0.02 0.12 0.04 0.00 1.01 0.00 0.00 58.87 60.01 1ozi n SER 41 Cb 0.42 -0.49 0.12 0.00 -1.01 0.00 0.00 64.21 63.25 1ozi n SER 41 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ozi h VAL 42 N -0.46 0.83 -2.91 0.44 3.04 -1.94 -3.44 116.25 111.81 1ozi h VAL 42 Ca -0.49 -2.00 -0.53 0.00 -1.01 0.00 0.00 66.70 62.68 1ozi h VAL 42 Cb 1.54 2.28 -0.02 0.00 -2.01 0.00 0.00 31.29 33.09 1ozi h VAL 42 CO -0.22 0.44 -0.29 -0.60 -1.01 0.00 0.00 177.57 175.89 1ozi s ARG 43 N -3.12 3.54 0.57 4.17 6.06 -1.26 -5.06 118.95 123.84 1ozi s ARG 43 Ca 0.03 -0.27 -0.19 0.00 -2.50 0.00 0.00 55.73 52.79 1ozi s ARG 43 Cb 0.08 -2.79 -0.04 0.00 0.06 0.00 0.00 34.95 32.26 1ozi s ARG 43 CO 0.72 0.35 1.20 -3.38 -2.50 0.00 0.00 175.30 171.70 1ozi s HIS 44 N -1.93 2.46 0.57 5.12 -3.43 -1.26 -4.82 115.29 111.99 1ozi s HIS 44 Ca 0.40 1.51 -0.06 0.00 -0.80 0.00 0.00 55.06 56.11 1ozi s HIS 44 Cb -0.11 -3.46 -0.00 0.00 -1.43 0.00 0.00 32.58 27.57 1ozi s HIS 44 CO 0.29 -2.11 0.88 0.20 -2.00 0.00 0.00 174.74 172.01 1ozi s GLY 45 N -1.57 1.58 0.00 -1.38 0.00 -1.26 -4.94 107.32 99.75 1ozi s GLY 45 Ca 0.75 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1ozi s GLY 45 CO 0.33 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.68 1ozi n GLY 46 N -2.52 0.13 3.00 0.20 0.00 -1.26 -4.46 105.19 100.28 1ozi n GLY 46 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.82 0.08 -0.01 -0.61 -1.09 -0.15 -4.60 121.20 115.63 1ozi s ILE 47 Ca 0.00 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1ozi s ILE 47 Cb 0.00 -0.26 -0.01 0.00 -1.58 0.00 0.00 42.46 40.61 1ozi s ILE 47 CO 0.00 -0.37 -0.13 -0.31 -1.23 0.00 0.00 174.94 172.90 1ozi s TYR 48 N -1.13 1.21 -0.25 3.97 1.51 0.20 0.81 117.35 123.67 1ozi s TYR 48 Ca -0.12 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1ozi s TYR 48 Cb -0.07 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1ozi s TYR 48 CO -0.00 -0.03 1.34 0.08 -1.11 0.00 0.00 175.55 175.82 1ozi s VAL 49 N -0.26 4.11 -0.02 0.71 1.01 -0.69 -0.02 120.40 125.24 1ozi s VAL 49 Ca 0.04 1.28 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 1ozi s VAL 49 Cb -0.06 -4.04 -0.29 0.00 0.00 0.00 0.00 36.38 32.00 1ozi s VAL 49 CO -0.00 -0.35 0.77 0.50 0.00 0.00 0.00 175.10 176.02 1ozi h LYS 50 N 9.19 0.29 -2.46 2.72 3.64 -0.65 -2.55 116.57 126.74 1ozi h LYS 50 Ca -0.27 -0.50 0.11 0.00 -1.27 0.00 0.00 60.65 58.72 1ozi h LYS 50 Cb 1.11 0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 1ozi h LYS 50 CO 1.01 1.16 0.43 0.00 -2.27 0.00 0.00 179.45 179.78 1ozi s ALA 51 N -2.60 -1.69 -0.16 5.00 0.00 -0.76 -4.68 121.76 116.86 1ozi s ALA 51 Ca -0.11 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1ozi s ALA 51 Cb 0.06 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1ozi s ALA 51 CO 0.85 -0.84 -0.16 0.42 0.00 0.00 0.00 175.76 176.03 1ozi s ILE 52 N -3.33 2.56 -0.17 0.00 1.09 -1.26 -0.42 121.20 119.67 1ozi s ILE 52 Ca 0.07 -0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 58.78 1ozi s ILE 52 Cb -0.01 -2.08 -0.03 0.00 -1.06 0.00 0.00 42.46 39.27 1ozi s ILE 52 CO -0.05 0.52 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.67 1ozi s ILE 53 N 0.93 4.05 0.00 2.92 1.09 0.10 -4.99 121.20 125.31 1ozi s ILE 53 Ca -0.03 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.22 1ozi s ILE 53 Cb -0.15 -2.80 0.00 0.00 -1.06 0.00 0.00 42.46 38.45 1ozi s ILE 53 CO -0.02 0.47 0.00 -2.65 -0.10 0.00 0.00 174.94 172.64 1ozi n PRO 54 N 3.72 0.00 0.00 2.79 -0.02 -1.26 -4.47 135.00 135.75 1ozi n PRO 54 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1ozi n PRO 54 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1ozi n PRO 54 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ozi n LYS 55 N 0.00 0.00 0.00 -0.52 4.01 -1.26 -4.52 118.16 115.87 1ozi n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ozi n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ozi n GLY 56 N 0.00 0.30 7.00 0.72 0.00 -1.26 -4.88 105.19 107.07 1ozi n GLY 56 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.69 0.00 -0.14 4.61 0.00 -1.26 -2.39 120.51 120.64 1ozi n ALA 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ozi n ALA 57 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.95 0.58 -0.10 0.00 0.00 -1.86 0.20 119.26 117.12 1ozi h ALA 58 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 1ozi h ALA 58 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ozi h ALA 58 CO 0.00 0.54 -0.78 1.49 0.00 0.00 0.00 179.25 180.50 1ozi h GLU 59 N 0.68 0.56 -0.02 0.00 4.81 -1.70 0.11 114.58 119.03 1ozi h GLU 59 Ca 0.09 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1ozi h GLU 59 Cb 0.75 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 1ozi h GLU 59 CO 0.06 1.10 -0.02 1.03 -0.73 0.00 0.00 179.01 180.44 1ozi h SER 60 N 0.38 0.05 0.14 1.04 0.87 -1.25 -2.80 113.55 111.97 1ozi h SER 60 Ca -0.05 -0.54 -0.06 0.00 -1.23 0.00 0.00 61.79 59.91 1ozi h SER 60 Cb 1.38 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1ozi h SER 60 CO 0.14 0.58 -0.21 -0.78 -0.53 0.00 0.00 176.83 176.04 1ozi h ASP 61 N -0.48 0.14 -1.71 6.23 1.82 -0.69 -3.47 116.42 118.26 1ozi h ASP 61 Ca 0.00 -0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.49 1ozi h ASP 61 Cb 0.57 -0.04 0.02 0.00 0.68 0.00 0.00 39.33 40.56 1ozi h ASP 61 CO 0.01 0.36 -0.18 0.61 -1.61 0.00 0.00 179.24 178.42 1ozi n GLY 62 N -0.77 0.32 0.26 -0.78 0.00 0.35 -4.95 105.19 99.62 1ozi n GLY 62 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.73 0.50 -3.46 1.61 5.12 -0.94 -4.99 116.66 112.77 1ozi n ARG 63 Ca -0.03 0.22 -0.38 0.00 -1.93 0.00 0.00 57.85 55.72 1ozi n ARG 63 Cb 0.54 -1.34 -0.06 0.00 -1.16 0.00 0.00 32.46 30.43 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ozi s ILE 64 N -2.43 5.04 0.15 0.55 1.01 -1.24 -5.07 121.20 119.22 1ozi s ILE 64 Ca -0.33 0.87 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1ozi s ILE 64 Cb 0.13 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1ozi s ILE 64 CO 0.42 0.53 0.03 1.57 0.00 0.00 0.00 174.94 177.49 1ozi n HIS 65 N 2.15 0.18 -0.66 3.97 -0.00 -1.26 -4.49 115.22 115.11 1ozi n HIS 65 Ca -0.13 -0.86 -0.04 0.00 0.46 0.00 0.00 57.72 57.15 1ozi n HIS 65 Cb 0.52 -0.05 -0.06 0.00 -0.12 0.00 0.00 29.99 30.29 1ozi n HIS 65 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1ozi n LYS 66 N -0.35 1.32 0.00 1.57 5.02 -1.26 -3.26 118.16 121.20 1ozi n LYS 66 Ca -0.04 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 1ozi n LYS 66 Cb 0.21 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.84 0.36 3.77 0.72 0.00 -0.96 -4.52 105.19 106.40 1ozi n GLY 67 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 6.86 -0.01 1.61 1.01 -1.20 -2.48 116.67 122.45 1ozi s ASP 68 Ca 0.00 2.12 -0.20 0.00 0.71 0.00 0.00 52.55 55.18 1ozi s ASP 68 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1ozi s ASP 68 CO 0.00 -0.42 0.58 -0.60 0.21 0.00 0.00 175.17 174.93 1ozi s ARG 69 N -2.22 4.29 -0.23 8.23 3.52 0.12 -1.71 118.95 130.96 1ozi s ARG 69 Ca 0.54 0.70 -0.07 0.00 -0.13 0.00 0.00 55.73 56.77 1ozi s ARG 69 Cb -0.25 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1ozi s ARG 69 CO 0.32 0.38 0.06 0.08 -0.81 0.00 0.00 175.30 175.33 1ozi s VAL 70 N -0.20 4.40 -0.21 7.11 1.01 0.24 0.09 120.40 132.83 1ozi s VAL 70 Ca 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1ozi s VAL 70 Cb -0.18 -3.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.97 1ozi s VAL 70 CO 0.16 0.37 -0.02 0.18 0.00 0.00 0.00 175.10 175.80 1ozi n LEU 71 N 4.55 2.63 -3.85 3.92 4.77 0.13 -0.98 117.00 128.17 1ozi n LEU 71 Ca -0.16 -0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.75 1ozi n LEU 71 Cb 0.52 -0.84 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1ozi n LEU 71 CO 0.32 0.87 0.70 0.00 -1.33 0.00 0.00 177.39 177.95 1ozi s ALA 72 N -2.53 -1.26 -0.23 -1.18 0.00 -0.50 -0.73 121.76 115.32 1ozi s ALA 72 Ca -0.29 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1ozi s ALA 72 Cb 0.08 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.97 1ozi s ALA 72 CO 0.67 -1.03 -0.12 0.08 0.00 0.00 0.00 175.76 175.35 1ozi s VAL 73 N -2.29 2.02 -1.40 0.00 1.01 -0.74 0.27 120.40 119.27 1ozi s VAL 73 Ca 0.19 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 1ozi s VAL 73 Cb -0.04 -2.07 0.13 0.00 0.00 0.00 0.00 36.38 34.40 1ozi s VAL 73 CO 0.08 0.12 0.55 -0.46 0.00 0.00 0.00 175.10 175.39 1ozi n ASN 74 N 4.53 -2.91 0.00 3.32 0.23 0.20 0.06 115.26 120.69 1ozi n ASN 74 Ca -0.16 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 1ozi n ASN 74 Cb 0.45 -2.44 0.00 0.00 -2.08 0.00 0.00 39.78 35.71 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 -1.14 0.76 3.49 4.83 0.00 -1.26 -5.01 105.19 106.86 1ozi n GLY 75 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.28 4.19 0.14 1.61 1.01 0.11 -4.97 120.40 120.20 1ozi s VAL 76 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 1ozi s VAL 76 Cb 0.00 -4.81 -0.11 0.00 0.00 0.00 0.00 36.38 31.47 1ozi s VAL 76 CO 0.00 -1.63 1.84 -1.20 0.00 0.00 0.00 175.10 174.11 1ozi n SER 77 N 8.08 4.08 -3.92 3.32 7.64 -1.26 -1.79 113.62 129.77 1ozi n SER 77 Ca 0.07 0.99 -0.43 0.00 1.01 0.00 0.00 58.87 60.52 1ozi n SER 77 Cb 0.48 -1.56 0.01 0.00 -1.01 0.00 0.00 64.21 62.13 1ozi n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ozi n LEU 78 N 5.52 6.59 -4.19 -3.43 4.77 0.09 -4.92 117.00 121.42 1ozi n LEU 78 Ca 0.18 -4.95 -0.37 0.00 -0.03 0.00 0.00 56.01 50.83 1ozi n LEU 78 Cb 0.37 -1.37 -0.12 0.00 -2.33 0.00 0.00 43.42 39.98 1ozi n LEU 78 CO 0.66 1.57 -0.20 -1.61 -1.33 0.00 0.00 177.39 176.48 1ozi s GLU 79 N -1.33 2.35 0.00 3.23 2.02 -1.26 -4.39 118.70 119.33 1ozi s GLU 79 Ca 0.35 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.82 1ozi s GLU 79 Cb 0.08 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1ozi s GLU 79 CO 0.05 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.85 1ozi n GLY 80 N 4.73 1.37 3.75 -1.39 0.00 -1.26 -5.07 105.19 107.31 1ozi n GLY 80 Ca -0.08 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 3.48 0.54 4.61 0.00 -1.26 -5.11 121.76 122.02 1ozi s ALA 81 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 1ozi s ALA 81 Cb 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1ozi s ALA 81 CO 0.00 0.69 0.83 -0.08 0.00 0.00 0.00 175.76 177.19 1ozi s THR 82 N -1.19 3.90 0.30 0.00 -1.32 -1.26 -4.86 115.64 111.21 1ozi s THR 82 Ca 0.23 -0.10 0.06 0.00 -1.21 0.00 0.00 61.69 60.67 1ozi s THR 82 Cb -0.12 -3.51 0.30 0.00 -1.51 0.00 0.00 72.50 67.66 1ozi s THR 82 CO 0.14 -0.48 1.78 1.12 -2.21 0.00 0.00 174.62 174.97 1ozi h HIS 83 N 0.02 1.07 -0.97 9.09 2.07 -1.90 -0.02 115.15 124.52 1ozi h HIS 83 Ca -0.46 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1ozi h HIS 83 Cb 1.25 -0.32 -0.05 0.00 2.57 0.00 0.00 27.41 30.86 1ozi h HIS 83 CO 0.48 0.23 0.61 -0.22 -3.07 0.00 0.00 177.93 175.96 1ozi h LYS 84 N 0.76 1.30 -0.22 5.12 1.63 -1.93 -1.24 116.57 121.99 1ozi h LYS 84 Ca 0.58 -0.10 -0.15 0.00 -0.85 0.00 0.00 60.65 60.13 1ozi h LYS 84 Cb 0.91 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1ozi h LYS 84 CO -0.39 0.89 -0.50 1.96 -3.45 0.00 0.00 179.45 177.96 1ozi h GLN 85 N 1.32 0.59 0.21 1.90 1.08 -1.38 0.36 115.11 119.19 1ozi h GLN 85 Ca 0.35 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1ozi h GLN 85 Cb -0.10 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1ozi h GLN 85 CO -0.07 0.96 -0.12 0.00 -0.95 0.00 0.00 178.83 178.64 1ozi h ALA 86 N 0.98 -0.31 0.00 3.87 0.00 -1.11 -2.02 119.26 120.67 1ozi h ALA 86 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ozi h ALA 86 Cb 1.04 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ozi h ALA 86 CO 0.10 -0.68 -0.27 0.28 0.00 0.00 0.00 179.25 178.68 1ozi h VAL 87 N -0.32 1.01 -0.62 0.00 2.07 -0.79 -0.28 116.25 117.32 1ozi h VAL 87 Ca -0.02 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1ozi h VAL 87 Cb 0.26 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ozi h VAL 87 CO 0.02 0.26 0.07 -0.33 0.02 0.00 0.00 177.57 177.61 1ozi h GLU 88 N 0.00 1.03 -0.06 1.57 4.39 -0.04 0.14 114.58 121.61 1ozi h GLU 88 Ca -0.00 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 1ozi h GLU 88 Cb 0.54 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1ozi h GLU 88 CO 0.03 0.97 -0.54 1.15 -1.16 0.00 0.00 179.01 179.46 1ozi h THR 89 N 0.96 1.37 0.00 1.13 2.02 -0.56 -0.30 112.91 117.54 1ozi h THR 89 Ca 0.19 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1ozi h THR 89 Cb 0.46 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1ozi h THR 89 CO 0.02 0.54 0.00 0.18 0.37 0.00 0.00 175.52 176.63 1ozi n LEU 90 N -3.91 0.27 -0.08 2.58 4.77 -0.21 -1.73 117.00 118.68 1ozi n LEU 90 Ca -0.02 0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1ozi n LEU 90 Cb 0.57 -0.47 -0.16 0.00 -2.33 0.00 0.00 43.42 41.03 1ozi n LEU 90 CO 0.43 -0.18 -1.06 -1.14 -1.33 0.00 0.00 177.39 174.11 1ozi n ARG 91 N -1.77 0.68 0.19 3.23 0.63 0.40 -4.16 116.66 115.87 1ozi n ARG 91 Ca 0.05 -0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.01 1ozi n ARG 91 Cb 0.30 -1.55 0.39 0.00 0.45 0.00 0.00 32.46 32.06 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1ozi h ASN 92 N 0.00 0.01 -3.92 6.15 -0.26 -0.72 -3.42 115.58 113.42 1ozi h ASN 92 Ca -0.47 -0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 54.79 1ozi h ASN 92 Cb 2.10 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.36 1ozi h ASN 92 CO 0.03 0.33 0.40 0.42 -1.06 0.00 0.00 177.43 177.55 1ozi s THR 93 N -4.31 3.87 0.00 2.81 -4.23 -0.70 -5.05 115.64 108.02 1ozi s THR 93 Ca -0.03 1.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 1ozi s THR 93 Cb 0.15 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1ozi s THR 93 CO 0.72 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 1ozi n GLY 94 N 0.49 -0.04 0.11 3.99 0.00 -1.26 -4.92 105.19 103.56 1ozi n GLY 94 Ca 0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 0.25 -5.17 1.61 4.15 -1.95 -3.43 115.11 110.57 1ozi h GLN 95 Ca 0.00 -0.43 -0.67 0.00 0.77 0.00 0.00 58.65 58.31 1ozi h GLN 95 Cb 0.00 0.16 -0.33 0.00 0.21 0.00 0.00 27.48 27.52 1ozi h GLN 95 CO 0.00 1.21 -0.85 0.54 -1.93 0.00 0.00 178.83 177.80 1ozi s VAL 96 N -2.41 2.27 -0.08 2.39 0.11 -1.26 -0.04 120.40 121.37 1ozi s VAL 96 Ca -0.15 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 57.99 1ozi s VAL 96 Cb 0.01 -1.93 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 1ozi s VAL 96 CO 0.80 0.53 -0.03 -0.69 -3.33 0.00 0.00 175.10 172.39 1ozi s VAL 97 N 0.91 4.05 -0.23 2.04 1.01 0.45 -4.93 120.40 123.69 1ozi s VAL 97 Ca -0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1ozi s VAL 97 Cb -0.15 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1ozi s VAL 97 CO -0.03 0.59 0.13 -1.00 0.00 0.00 0.00 175.10 174.79 1ozi s HIS 98 N -0.76 3.27 0.03 5.22 3.76 -1.26 0.21 115.29 125.77 1ozi s HIS 98 Ca 0.12 0.12 0.08 0.00 -0.15 0.00 0.00 55.06 55.22 1ozi s HIS 98 Cb -0.11 -2.23 -0.02 0.00 1.11 0.00 0.00 32.58 31.33 1ozi s HIS 98 CO 0.02 0.04 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.21 1ozi s LEU 99 N 0.98 2.14 -0.43 0.89 1.02 0.10 0.62 118.68 123.99 1ozi s LEU 99 Ca 0.06 -0.51 -0.18 0.00 0.02 0.00 0.00 54.13 53.53 1ozi s LEU 99 Cb -0.13 -1.10 0.03 0.00 0.02 0.00 0.00 46.19 45.01 1ozi s LEU 99 CO 0.04 0.21 0.46 -0.22 0.02 0.00 0.00 176.35 176.86 1ozi s LEU 100 N -1.05 4.89 0.43 1.79 0.20 0.14 -0.50 118.68 124.59 1ozi s LEU 100 Ca 0.09 -0.70 0.06 0.00 0.69 0.00 0.00 54.13 54.27 1ozi s LEU 100 Cb -0.09 -2.40 -0.06 0.00 -0.43 0.00 0.00 46.19 43.21 1ozi s LEU 100 CO 0.01 -0.62 0.09 -0.76 -0.29 0.00 0.00 176.35 174.78 1ozi s LEU 101 N 2.18 2.89 0.02 -0.68 1.02 -0.16 0.21 118.68 124.16 1ozi s LEU 101 Ca 0.12 -1.29 0.04 0.00 0.02 0.00 0.00 54.13 53.02 1ozi s LEU 101 Cb -0.17 -1.09 -0.02 0.00 0.02 0.00 0.00 46.19 44.94 1ozi s LEU 101 CO 0.13 -0.56 -0.13 -1.61 0.02 0.00 0.00 176.35 174.21 1ozi s GLU 102 N -3.82 0.94 0.12 1.70 2.02 0.11 -0.18 118.70 119.59 1ozi s GLU 102 Ca 0.34 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.40 1ozi s GLU 102 Cb 0.06 -0.92 -0.10 0.00 0.10 0.00 0.00 34.13 33.26 1ozi s GLU 102 CO 0.18 0.24 1.83 0.15 0.02 0.00 0.00 175.26 177.68 1ozi s LYS 103 N -0.78 4.14 0.00 1.61 -0.14 -0.24 -0.70 119.74 123.62 1ozi s LYS 103 Ca 0.03 2.60 0.00 0.00 -1.36 0.00 0.00 55.97 57.23 1ozi s LYS 103 Cb -0.07 -3.60 0.00 0.00 -1.68 0.00 0.00 37.83 32.49 1ozi s LYS 103 CO 0.00 -0.85 0.00 0.41 -0.76 0.00 0.00 175.35 174.16 1ozi n GLY 104 N 4.24 2.80 3.51 -3.33 0.00 -1.25 -3.31 105.19 107.84 1ozi n GLY 104 Ca 0.18 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1ozi n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ozi s GLN 105 N 2.46 2.02 0.21 1.61 -1.52 -1.04 -4.78 119.66 118.62 1ozi s GLN 105 Ca 0.00 -1.04 -0.00 0.00 -1.95 0.00 0.00 55.36 52.36 1ozi s GLN 105 Cb 0.00 -2.21 -0.04 0.00 -0.22 0.00 0.00 33.01 30.54 1ozi s GLN 105 CO 0.00 0.52 0.39 0.14 -0.25 0.00 0.00 175.29 176.09 1ozi s VAL 106 N -1.07 5.21 -2.00 1.09 -7.23 -1.26 -3.91 120.40 111.22 1ozi s VAL 106 Ca 0.18 -0.41 0.31 0.00 -1.81 0.00 0.00 61.98 60.25 1ozi s VAL 106 Cb -0.11 -3.74 0.89 0.00 0.56 0.00 0.00 36.38 33.98 1ozi s VAL 106 CO 0.09 -0.19 2.19 -2.65 -0.31 0.00 0.00 175.10 174.23