#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 4.37 -0.66 1.97 0.04 -1.26 -3.01 135.00 136.45 1ozi s PRO 10 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1ozi s PRO 10 Cb 0.00 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1ozi s PRO 10 CO 0.00 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1ozi n GLY 11 N 3.30 0.85 3.83 0.56 0.00 -0.86 -4.91 105.19 107.96 1ozi n GLY 11 Ca 0.10 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.81 6.94 -0.44 1.61 2.15 -1.16 -4.65 116.67 118.31 1ozi s ASP 12 Ca 0.00 1.20 -0.16 0.00 0.43 0.00 0.00 52.55 54.03 1ozi s ASP 12 Cb 0.00 -2.34 0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1ozi s ASP 12 CO 0.00 0.13 0.37 0.42 -0.17 0.00 0.00 175.17 175.92 1ozi s THR 13 N -1.38 5.21 -0.00 1.71 -4.23 -1.25 -1.55 115.64 114.14 1ozi s THR 13 Ca 0.37 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1ozi s THR 13 Cb -0.17 -4.03 -0.00 0.00 1.34 0.00 0.00 72.50 69.64 1ozi s THR 13 CO 0.20 -0.44 -0.02 0.72 -0.54 0.00 0.00 174.62 174.54 1ozi s PHE 14 N 1.79 0.18 -0.52 3.99 -0.71 -0.44 -4.96 117.98 117.31 1ozi s PHE 14 Ca 0.06 -0.05 -0.28 0.00 -1.04 0.00 0.00 56.93 55.62 1ozi s PHE 14 Cb -0.20 -0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.50 1ozi s PHE 14 CO 0.10 -0.01 1.44 -1.21 -1.34 0.00 0.00 175.22 174.20 1ozi s GLU 15 N -0.10 3.35 -0.04 1.99 8.01 -1.26 -1.48 118.70 129.18 1ozi s GLU 15 Ca 0.00 0.61 -0.30 0.00 0.01 0.00 0.00 54.97 55.30 1ozi s GLU 15 Cb -0.01 -4.11 -0.05 0.00 -4.31 0.00 0.00 34.13 25.65 1ozi s GLU 15 CO -0.00 -1.87 1.49 0.08 0.01 0.00 0.00 175.26 174.98 1ozi s VAL 16 N 6.02 3.69 -0.75 2.63 1.01 0.23 -4.76 120.40 128.47 1ozi s VAL 16 Ca 0.56 0.96 -0.17 0.00 0.00 0.00 0.00 61.98 63.34 1ozi s VAL 16 Cb -0.12 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.80 1ozi s VAL 16 CO 0.27 -0.04 0.80 -0.70 0.00 0.00 0.00 175.10 175.43 1ozi s GLU 17 N 3.18 3.38 -0.34 2.72 2.12 -1.26 -0.52 118.70 127.98 1ozi s GLU 17 Ca 0.67 -1.90 -0.13 0.00 0.36 0.00 0.00 54.97 53.97 1ozi s GLU 17 Cb -0.31 -4.48 -0.01 0.00 0.26 0.00 0.00 34.13 29.58 1ozi s GLU 17 CO 0.26 -1.47 0.23 -1.17 -0.54 0.00 0.00 175.26 172.57 1ozi s LEU 18 N 1.60 4.50 -0.31 2.70 1.98 0.96 -4.92 118.68 125.19 1ozi s LEU 18 Ca 0.18 -0.46 -0.12 0.00 -2.89 0.00 0.00 54.13 50.84 1ozi s LEU 18 Cb -0.15 -2.12 -0.03 0.00 0.66 0.00 0.00 46.19 44.55 1ozi s LEU 18 CO -0.03 -0.24 0.23 0.00 -1.89 0.00 0.00 176.35 174.41 1ozi s ALA 19 N 1.71 3.52 -0.08 5.97 0.00 -1.26 -0.02 121.76 131.59 1ozi s ALA 19 Ca 0.06 -1.25 -0.35 0.00 0.00 0.00 0.00 51.96 50.42 1ozi s ALA 19 Cb -0.17 -2.60 -0.12 0.00 0.00 0.00 0.00 23.12 20.22 1ozi s ALA 19 CO 0.10 -0.80 1.84 1.63 0.00 0.00 0.00 175.76 178.53 1ozi n LYS 20 N 5.10 2.09 0.00 0.00 5.02 0.13 -4.87 118.16 125.63 1ozi n LYS 20 Ca -0.13 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1ozi n LYS 20 Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1ozi n LYS 20 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ozi n THR 21 N 4.92 0.00 0.00 -0.18 -2.24 -0.95 -4.83 114.28 111.00 1ozi n THR 21 Ca 0.22 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.97 1ozi n THR 21 Cb 0.28 -0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.09 1ozi n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ozi n ASP 22 N -0.61 0.77 -1.30 3.42 2.03 -0.83 -4.70 116.55 115.33 1ozi n ASP 22 Ca 0.00 0.11 -0.04 0.00 0.52 0.00 0.00 54.79 55.38 1ozi n ASP 22 Cb 0.00 -0.26 0.11 0.00 -0.72 0.00 0.00 41.12 40.25 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 2.94 2.60 7.00 0.27 0.00 0.17 -4.93 105.19 113.24 1ozi n GLY 23 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.02 0.00 0.03 1.61 2.88 -1.00 -3.18 113.62 113.98 1ozi n SER 24 Ca 0.18 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.62 1ozi n SER 24 Cb 0.82 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.15 1ozi n SER 24 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ozi h LEU 25 N 0.00 0.11 0.42 2.46 -0.00 -1.94 -3.10 115.31 113.25 1ozi h LEU 25 Ca 0.00 -0.16 -0.14 0.00 -0.00 0.00 0.00 57.88 57.58 1ozi h LEU 25 Cb 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.58 1ozi h LEU 25 CO 0.00 1.13 -0.13 0.61 -0.00 0.00 0.00 178.44 180.05 1ozi n GLY 26 N 1.53 0.77 2.94 0.83 0.00 -1.19 -2.11 105.19 107.96 1ozi n GLY 26 Ca -0.12 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.27 1.12 -0.40 -0.61 -4.36 -1.26 0.26 121.20 113.68 1ozi s ILE 27 Ca 0.00 -0.37 -0.21 0.00 -0.26 0.00 0.00 60.65 59.81 1ozi s ILE 27 Cb 0.00 -1.10 0.01 0.00 1.25 0.00 0.00 42.46 42.62 1ozi s ILE 27 CO 0.00 0.38 0.69 -0.55 0.24 0.00 0.00 174.94 175.69 1ozi s SER 28 N 1.49 6.40 0.19 4.36 0.15 0.32 -4.99 113.70 121.62 1ozi s SER 28 Ca 0.01 -0.04 0.11 0.00 0.70 0.00 0.00 55.95 56.73 1ozi s SER 28 Cb -0.13 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1ozi s SER 28 CO -0.06 -0.74 -0.21 0.68 1.20 0.00 0.00 173.24 174.11 1ozi s VAL 29 N 2.91 2.54 0.28 4.45 -7.23 -1.26 0.20 120.40 122.29 1ozi s VAL 29 Ca 0.26 -1.97 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1ozi s VAL 29 Cb -0.14 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 1ozi s VAL 29 CO 0.18 -0.13 0.31 0.28 -0.31 0.00 0.00 175.10 175.43 1ozi s THR 30 N -1.72 0.00 0.01 5.32 -1.32 0.56 -4.79 115.64 113.70 1ozi s THR 30 Ca 0.22 -1.82 -0.01 0.00 -1.21 0.00 0.00 61.69 58.87 1ozi s THR 30 Cb -0.08 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1ozi s THR 30 CO 0.11 0.00 0.14 -0.69 -2.21 0.00 0.00 174.62 171.97 1ozi s VAL 31 N -3.64 5.06 -0.93 5.08 1.01 -1.26 0.69 120.40 126.41 1ozi s VAL 31 Ca 0.35 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1ozi s VAL 31 Cb 0.03 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1ozi s VAL 31 CO 0.19 0.28 1.44 -0.76 0.00 0.00 0.00 175.10 176.24 1ozi s LEU 32 N -2.02 3.39 0.00 3.92 1.43 -1.26 -3.97 118.68 120.17 1ozi s LEU 32 Ca 0.27 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1ozi s LEU 32 Cb -0.12 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1ozi s LEU 32 CO 0.19 -1.67 0.13 2.22 0.23 0.00 0.00 176.35 177.44 1ozi n PHE 33 N 9.34 0.00 0.00 0.29 -1.74 -1.26 -2.00 117.46 122.09 1ozi n PHE 33 Ca 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.14 1ozi n PHE 33 Cb 0.50 0.15 0.00 0.00 1.52 0.00 0.00 39.48 41.66 1ozi n PHE 33 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1ozi n ASP 34 N 0.00 0.00 -3.30 5.98 2.03 -1.26 -4.98 116.55 115.03 1ozi n ASP 34 Ca 0.00 0.11 0.03 0.00 0.52 0.00 0.00 54.79 55.45 1ozi n ASP 34 Cb 0.33 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 1ozi n ASP 34 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1ozi s LYS 35 N -0.23 0.29 0.37 -0.67 2.47 -1.26 -5.16 119.74 115.55 1ozi s LYS 35 Ca 0.00 0.64 0.07 0.00 -1.56 0.00 0.00 55.97 55.13 1ozi s LYS 35 Cb 0.00 0.38 -0.01 0.00 -1.46 0.00 0.00 37.83 36.74 1ozi s LYS 35 CO 0.00 -0.19 0.45 0.20 0.16 0.00 0.00 175.35 175.97 1ozi s GLY 36 N 2.65 1.79 0.03 5.54 0.00 -1.26 -5.06 107.32 111.02 1ozi s GLY 36 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1ozi s GLY 36 CO -0.16 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1ozi n GLY 37 N -1.63 -0.02 2.11 0.20 0.00 -1.26 -4.74 105.19 99.84 1ozi n GLY 37 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1ozi n GLY 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ozi n VAL 38 N -2.99 3.23 -0.74 1.61 0.31 -1.26 -5.02 118.33 113.47 1ozi n VAL 38 Ca 0.00 -2.88 0.09 0.00 -0.01 0.00 0.00 64.34 61.54 1ozi n VAL 38 Cb 0.30 -0.89 -0.04 0.00 -0.91 0.00 0.00 33.84 32.30 1ozi n VAL 38 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ozi n ASN 39 N -0.97 -4.21 -3.59 4.52 5.15 -1.26 -4.95 115.26 109.95 1ozi n ASN 39 Ca 0.55 0.65 -0.24 0.00 -0.60 0.00 0.00 54.58 54.94 1ozi n ASN 39 Cb 0.99 -2.47 -0.16 0.00 -0.53 0.00 0.00 39.78 37.60 1ozi n ASN 39 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ozi s THR 40 N -3.19 -0.14 0.00 -0.44 2.01 -1.26 -4.93 115.64 107.69 1ozi s THR 40 Ca 0.00 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1ozi s THR 40 Cb 0.00 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1ozi s THR 40 CO 0.00 -0.27 0.00 -0.24 -0.69 0.00 0.00 174.62 173.42 1ozi n SER 41 N 5.29 0.00 -4.31 3.53 2.88 -1.26 -4.57 113.62 115.18 1ozi n SER 41 Ca -0.07 0.00 -0.60 0.00 -1.33 0.00 0.00 58.87 56.88 1ozi n SER 41 Cb 0.49 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 1ozi n SER 41 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ozi n VAL 42 N 0.00 0.02 -4.31 2.46 3.14 -1.26 -4.94 118.33 113.45 1ozi n VAL 42 Ca 0.00 -0.03 -0.17 0.00 -2.96 0.00 0.00 64.34 61.18 1ozi n VAL 42 Cb 0.00 -0.63 -0.09 0.00 -1.06 0.00 0.00 33.84 32.06 1ozi n VAL 42 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1ozi s ARG 43 N 5.80 1.50 3.02 1.45 0.52 -1.26 -5.04 118.95 124.94 1ozi s ARG 43 Ca 1.18 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1ozi s ARG 43 Cb -1.43 -0.04 0.00 0.00 0.52 0.00 0.00 34.95 34.00 1ozi s ARG 43 CO 0.65 -0.42 0.00 1.58 0.02 0.00 0.00 175.30 177.13 1ozi n HIS 44 N -0.51 0.00 0.00 -0.53 -0.00 -0.85 -4.81 115.22 108.52 1ozi n HIS 44 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1ozi n HIS 44 Cb 0.65 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.52 1ozi n HIS 44 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ozi n GLY 45 N 0.00 0.92 0.00 1.57 0.00 -1.26 -3.88 105.19 102.54 1ozi n GLY 45 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.74 3.18 -0.02 0.00 -1.16 -4.47 105.19 101.98 1ozi n GLY 46 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.15 -0.02 -0.61 -1.09 0.10 -4.48 121.20 115.25 1ozi s ILE 47 Ca 0.00 -1.25 0.02 0.00 -2.23 0.00 0.00 60.65 57.19 1ozi s ILE 47 Cb 0.00 -1.31 0.01 0.00 -1.58 0.00 0.00 42.46 39.57 1ozi s ILE 47 CO 0.00 -0.69 -0.06 -0.47 -1.23 0.00 0.00 174.94 172.49 1ozi s TYR 48 N -3.71 0.69 -0.51 3.97 5.04 0.22 0.53 117.35 123.58 1ozi s TYR 48 Ca 0.04 -0.16 -0.29 0.00 -2.44 0.00 0.00 57.07 54.22 1ozi s TYR 48 Cb 0.05 -0.53 0.03 0.00 0.35 0.00 0.00 41.96 41.86 1ozi s TYR 48 CO -0.10 -0.09 1.17 0.08 -1.34 0.00 0.00 175.55 175.27 1ozi s VAL 49 N 0.33 4.13 0.04 3.14 1.01 0.56 -0.33 120.40 129.28 1ozi s VAL 49 Ca -0.04 1.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 1ozi s VAL 49 Cb -0.08 -4.62 -0.32 0.00 0.00 0.00 0.00 36.38 31.36 1ozi s VAL 49 CO 0.00 -1.10 1.02 0.50 0.00 0.00 0.00 175.10 175.52 1ozi h LYS 50 N 9.44 0.39 -3.11 2.72 3.64 -0.56 0.14 116.57 129.23 1ozi h LYS 50 Ca -0.24 -0.67 -0.13 0.00 -1.27 0.00 0.00 60.65 58.34 1ozi h LYS 50 Cb 1.06 0.25 -0.21 0.00 -0.41 0.00 0.00 32.23 32.92 1ozi h LYS 50 CO 1.14 1.31 -0.33 0.00 -2.27 0.00 0.00 179.45 179.31 1ozi s ALA 51 N -2.62 -0.70 -0.13 5.00 0.00 -0.46 -4.60 121.76 118.25 1ozi s ALA 51 Ca -0.07 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1ozi s ALA 51 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1ozi s ALA 51 CO 0.91 -0.23 -0.07 -1.50 0.00 0.00 0.00 175.76 174.86 1ozi s ILE 52 N -1.07 3.60 -0.20 0.00 1.10 -1.26 -0.53 121.20 122.84 1ozi s ILE 52 Ca -0.11 -0.48 -0.06 0.00 -0.51 0.00 0.00 60.65 59.49 1ozi s ILE 52 Cb -0.05 -2.54 -0.03 0.00 0.15 0.00 0.00 42.46 39.99 1ozi s ILE 52 CO 0.03 0.52 0.03 -0.63 -2.11 0.00 0.00 174.94 172.79 1ozi s ILE 53 N 0.12 4.34 0.00 2.00 1.09 0.14 -4.94 121.20 123.96 1ozi s ILE 53 Ca -0.03 -0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.34 1ozi s ILE 53 Cb -0.14 -2.97 0.00 0.00 -1.06 0.00 0.00 42.46 38.29 1ozi s ILE 53 CO 0.03 0.43 0.63 -2.65 -0.10 0.00 0.00 174.94 173.28 1ozi n PRO 54 N 4.02 0.00 0.00 2.79 -0.02 -1.26 -3.16 135.00 137.37 1ozi n PRO 54 Ca -0.17 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1ozi n PRO 54 Cb 0.52 -1.13 0.01 0.00 -0.02 0.00 0.00 33.50 32.88 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 -0.91 0.00 0.42 -0.52 4.76 -1.26 -1.51 118.16 119.14 1ozi n LYS 55 Ca 0.00 0.38 -0.17 0.00 -2.87 0.00 0.00 58.31 55.65 1ozi n LYS 55 Cb 0.00 -1.63 -0.08 0.00 -1.84 0.00 0.00 35.03 31.48 1ozi n LYS 55 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ozi h GLY 56 N 0.00 -1.12 0.00 0.72 0.00 -1.78 0.50 103.07 101.39 1ozi h GLY 56 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1ozi h GLY 56 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 176.54 176.13 1ozi n ALA 57 N -2.66 0.00 -0.34 3.60 0.00 -0.57 -2.24 120.51 118.30 1ozi n ALA 57 Ca -0.14 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.51 1ozi n ALA 57 Cb 0.43 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.33 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 2.02 0.07 0.00 0.00 -1.56 0.66 119.26 120.44 1ozi h ALA 58 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ozi h ALA 58 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ozi h ALA 58 CO 0.00 -0.46 -0.03 1.49 0.00 0.00 0.00 179.25 180.25 1ozi h GLU 59 N 0.49 -0.09 0.00 0.00 4.57 -1.68 -0.06 114.58 117.81 1ozi h GLU 59 Ca 0.62 0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.64 1ozi h GLU 59 Cb 1.38 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1ozi h GLU 59 CO -0.39 0.49 -0.83 0.77 -1.18 0.00 0.00 179.01 177.88 1ozi h SER 60 N -0.82 0.00 -0.09 1.04 0.02 -1.16 -2.94 113.55 109.61 1ozi h SER 60 Ca -0.01 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1ozi h SER 60 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1ozi h SER 60 CO 0.02 0.83 -0.29 -0.78 -1.14 0.00 0.00 176.83 175.47 1ozi h ASP 61 N 0.00 0.40 -1.63 3.07 1.82 0.16 -3.49 116.42 116.76 1ozi h ASP 61 Ca -0.01 -0.61 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 1ozi h ASP 61 Cb 1.49 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.38 1ozi h ASP 61 CO 0.11 0.95 0.00 0.61 -1.61 0.00 0.00 179.24 179.29 1ozi n GLY 62 N 0.60 0.88 1.46 -0.78 0.00 -0.09 -5.05 105.19 102.21 1ozi n GLY 62 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.81 0.00 -3.55 1.61 1.74 -0.88 -5.04 116.66 109.72 1ozi n ARG 63 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1ozi n ARG 63 Cb 0.28 -0.28 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 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 -2.00 5.09 0.21 0.55 1.01 -1.24 -5.08 121.20 119.73 1ozi s ILE 64 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1ozi s ILE 64 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1ozi s ILE 64 CO 0.00 0.49 0.09 -2.28 0.00 0.00 0.00 174.94 173.24 1ozi s HIS 65 N -1.18 1.26 0.10 3.97 2.46 -1.26 -3.97 115.29 116.67 1ozi s HIS 65 Ca 0.26 -1.24 -0.32 0.00 0.47 0.00 0.00 55.06 54.23 1ozi s HIS 65 Cb -0.15 -0.69 -0.11 0.00 -0.13 0.00 0.00 32.58 31.49 1ozi s HIS 65 CO 0.14 -0.45 1.80 0.36 -2.47 0.00 0.00 174.74 174.12 1ozi n LYS 66 N -0.31 2.60 0.00 2.88 2.85 -1.26 -1.79 118.16 123.13 1ozi n LYS 66 Ca -0.01 0.94 0.00 0.00 -1.05 0.00 0.00 58.31 58.19 1ozi n LYS 66 Cb 0.65 -2.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.22 1ozi n LYS 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ozi n GLY 67 N 4.12 2.32 3.76 2.58 0.00 0.48 -4.97 105.19 113.48 1ozi n GLY 67 Ca 0.19 0.00 -0.41 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 -1.63 6.62 -0.14 1.61 1.01 -0.74 -3.95 116.67 119.45 1ozi s ASP 68 Ca 0.00 2.75 -0.13 0.00 0.71 0.00 0.00 52.55 55.88 1ozi s ASP 68 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1ozi s ASP 68 CO 0.00 -0.69 0.28 -0.60 0.21 0.00 0.00 175.17 174.37 1ozi s ARG 69 N -1.07 4.12 -0.19 8.23 3.52 -0.69 -0.32 118.95 132.55 1ozi s ARG 69 Ca 0.55 0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 56.20 1ozi s ARG 69 Cb -0.42 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1ozi s ARG 69 CO 0.50 0.35 -0.01 0.08 -0.81 0.00 0.00 175.30 175.41 1ozi s VAL 70 N 0.12 3.93 -0.22 7.11 1.01 0.19 -0.45 120.40 132.08 1ozi s VAL 70 Ca 0.17 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.92 1ozi s VAL 70 Cb -0.13 -2.76 -0.21 0.00 0.00 0.00 0.00 36.38 33.27 1ozi s VAL 70 CO 0.05 0.45 -0.04 0.18 0.00 0.00 0.00 175.10 175.73 1ozi n LEU 71 N 4.05 1.40 -3.83 3.92 4.77 0.11 0.02 117.00 127.45 1ozi n LEU 71 Ca -0.17 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.70 1ozi n LEU 71 Cb 0.52 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1ozi n LEU 71 CO 0.32 0.70 0.61 0.00 -1.33 0.00 0.00 177.39 177.69 1ozi s ALA 72 N -2.51 -1.18 -0.21 -1.18 0.00 -0.53 -1.05 121.76 115.10 1ozi s ALA 72 Ca -0.21 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1ozi s ALA 72 Cb 0.07 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.97 1ozi s ALA 72 CO 0.73 -1.02 -0.03 0.08 0.00 0.00 0.00 175.76 175.51 1ozi s VAL 73 N -2.76 1.20 -1.15 0.00 1.01 -0.22 0.40 120.40 118.89 1ozi s VAL 73 Ca 0.15 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1ozi s VAL 73 Cb -0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1ozi s VAL 73 CO 0.08 -0.06 0.79 -3.20 0.00 0.00 0.00 175.10 172.71 1ozi n ASN 74 N 4.81 -4.99 0.00 3.32 5.15 0.19 -1.30 115.26 122.45 1ozi n ASN 74 Ca -0.11 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 1ozi n ASN 74 Cb 0.46 -3.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.00 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 -1.62 2.36 3.47 8.20 0.00 -1.26 -4.95 105.19 111.39 1ozi n GLY 75 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.53 5.01 0.31 1.61 1.01 -0.42 -5.03 120.40 120.36 1ozi s VAL 76 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1ozi s VAL 76 Cb 0.00 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1ozi s VAL 76 CO 0.00 -0.57 1.49 -0.44 0.00 0.00 0.00 175.10 175.58 1ozi s SER 77 N 2.16 6.48 -0.13 3.32 0.01 -1.26 -1.05 113.70 123.23 1ozi s SER 77 Ca 0.13 2.88 0.16 0.00 1.31 0.00 0.00 55.95 60.43 1ozi s SER 77 Cb -0.18 -2.64 0.62 0.00 0.21 0.00 0.00 66.02 64.03 1ozi s SER 77 CO 0.13 -0.81 1.53 0.18 0.41 0.00 0.00 173.24 174.69 1ozi n LEU 78 N 1.56 4.39 -4.56 2.44 4.77 -0.21 -4.87 117.00 120.52 1ozi n LEU 78 Ca 0.05 -2.60 -0.34 0.00 -0.03 0.00 0.00 56.01 53.08 1ozi n LEU 78 Cb 0.39 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1ozi n LEU 78 CO 0.62 0.74 1.44 -1.61 -1.33 0.00 0.00 177.39 177.25 1ozi s GLU 79 N -2.12 2.78 0.00 3.23 2.02 -1.25 -0.83 118.70 122.53 1ozi s GLU 79 Ca 0.45 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.38 1ozi s GLU 79 Cb 0.31 -4.76 0.00 0.00 0.10 0.00 0.00 34.13 29.79 1ozi s GLU 79 CO 0.18 -2.86 0.00 0.41 0.02 0.00 0.00 175.26 173.00 1ozi n GLY 80 N 6.27 1.37 3.94 -1.39 0.00 -1.26 -5.03 105.19 109.10 1ozi n GLY 80 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 3.74 0.42 4.61 0.00 -0.01 -5.10 121.76 123.42 1ozi s ALA 81 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1ozi s ALA 81 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1ozi s ALA 81 CO 0.00 0.05 0.65 0.95 0.00 0.00 0.00 175.76 177.41 1ozi s THR 82 N -2.23 4.51 0.28 0.00 -4.23 -1.26 -4.89 115.64 107.81 1ozi s THR 82 Ca 0.39 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1ozi s THR 82 Cb -0.10 -3.67 0.26 0.00 1.34 0.00 0.00 72.50 70.34 1ozi s THR 82 CO 0.34 -0.49 1.76 1.12 -0.54 0.00 0.00 174.62 176.81 1ozi h HIS 83 N 0.48 0.83 -0.27 3.99 2.07 -1.86 0.40 115.15 120.79 1ozi h HIS 83 Ca -0.47 0.04 -0.15 0.00 -2.85 0.00 0.00 60.37 56.93 1ozi h HIS 83 Cb 1.23 -0.23 -0.01 0.00 2.57 0.00 0.00 27.41 30.97 1ozi h HIS 83 CO 0.49 0.17 -0.44 1.57 -3.07 0.00 0.00 177.93 176.66 1ozi h LYS 84 N 0.63 0.66 -0.72 5.12 5.09 -1.93 -1.99 116.57 123.44 1ozi h LYS 84 Ca 0.50 -0.36 -0.06 0.00 0.09 0.00 0.00 60.65 60.82 1ozi h LYS 84 Cb 0.76 0.02 -0.03 0.00 0.10 0.00 0.00 32.23 33.08 1ozi h LYS 84 CO -0.39 0.97 0.20 1.96 -2.09 0.00 0.00 179.45 180.11 1ozi h GLN 85 N 0.54 1.13 -0.05 0.07 1.08 -1.55 0.67 115.11 117.00 1ozi h GLN 85 Ca 0.04 -0.25 0.03 0.00 -1.45 0.00 0.00 58.65 57.01 1ozi h GLN 85 Cb 0.97 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.21 1ozi h GLN 85 CO 0.09 0.98 -0.16 0.00 -0.95 0.00 0.00 178.83 178.79 1ozi h ALA 86 N 1.10 -0.15 -0.29 3.87 0.00 -0.82 -0.17 119.26 122.79 1ozi h ALA 86 Ca 0.23 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ozi h ALA 86 Cb 0.33 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ozi h ALA 86 CO -0.00 -0.64 -0.06 0.28 0.00 0.00 0.00 179.25 178.83 1ozi h VAL 87 N -0.24 1.20 0.00 0.00 2.07 -1.14 -1.32 116.25 116.82 1ozi h VAL 87 Ca 0.07 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1ozi h VAL 87 Cb 0.33 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1ozi h VAL 87 CO -0.19 0.29 -0.43 -0.33 0.02 0.00 0.00 177.57 176.93 1ozi h GLU 88 N 0.45 0.00 -0.17 1.57 5.08 -0.33 0.16 114.58 121.33 1ozi h GLU 88 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1ozi h GLU 88 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ozi h GLU 88 CO 0.02 0.43 -0.64 1.15 -1.00 0.00 0.00 179.01 178.97 1ozi h THR 89 N 0.00 1.31 0.00 1.13 2.02 -0.28 -1.48 112.91 115.61 1ozi h THR 89 Ca -0.00 -1.90 -0.06 0.00 0.77 0.00 0.00 66.41 65.21 1ozi h THR 89 Cb 0.77 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1ozi h THR 89 CO 0.06 0.59 -0.30 -0.07 0.37 0.00 0.00 175.52 176.17 1ozi h LEU 90 N 0.47 0.00 0.08 2.58 3.38 -0.33 -0.23 115.31 121.26 1ozi h LEU 90 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1ozi h LEU 90 Cb 1.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.00 1ozi h LEU 90 CO 0.13 0.30 -0.83 -0.09 0.09 0.00 0.00 178.44 178.04 1ozi h ARG 91 N 0.00 0.42 -0.12 1.13 2.43 -0.58 -3.38 114.38 114.29 1ozi h ARG 91 Ca -0.00 -0.56 -0.05 0.00 -0.81 0.00 0.00 59.98 58.56 1ozi h ARG 91 Cb 0.78 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ozi h ARG 91 CO 0.04 1.22 -0.12 -0.97 -1.51 0.00 0.00 179.97 178.63 1ozi h ASN 92 N -0.11 0.31 -0.07 -3.80 -0.73 -0.88 -3.37 115.58 106.93 1ozi h ASN 92 Ca -0.13 -0.48 0.01 0.00 1.87 0.00 0.00 56.30 57.57 1ozi h ASN 92 Cb 1.57 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 40.05 1ozi h ASN 92 CO 0.16 0.73 -0.23 0.71 -0.37 0.00 0.00 177.43 178.43 1ozi h THR 93 N -0.11 0.00 0.00 -3.57 1.35 -1.21 -3.49 112.91 105.88 1ozi h THR 93 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1ozi h THR 93 Cb 0.64 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1ozi h THR 93 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1ozi n GLY 94 N -1.18 -0.53 0.12 5.82 0.00 -1.26 -4.98 105.19 103.19 1ozi n GLY 94 Ca -0.02 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 0.21 -4.40 1.61 4.15 -1.93 -3.42 115.11 111.34 1ozi h GLN 95 Ca 0.00 -0.36 -0.73 0.00 0.77 0.00 0.00 58.65 58.33 1ozi h GLN 95 Cb 0.00 0.14 -0.24 0.00 0.21 0.00 0.00 27.48 27.58 1ozi h GLN 95 CO 0.00 1.17 -0.40 0.08 -1.93 0.00 0.00 178.83 177.75 1ozi s VAL 96 N -2.48 4.84 -0.11 2.39 1.01 -1.26 -0.69 120.40 124.10 1ozi s VAL 96 Ca -0.22 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1ozi s VAL 96 Cb 0.05 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1ozi s VAL 96 CO 0.74 -0.50 0.03 -0.69 0.00 0.00 0.00 175.10 174.68 1ozi s VAL 97 N 1.57 4.53 -0.20 2.92 1.01 0.97 -4.91 120.40 126.29 1ozi s VAL 97 Ca 0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1ozi s VAL 97 Cb -0.23 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ozi s VAL 97 CO 0.05 0.59 0.12 -1.00 0.00 0.00 0.00 175.10 174.86 1ozi s HIS 98 N -0.70 3.40 0.00 5.22 3.76 -1.25 -0.02 115.29 125.70 1ozi s HIS 98 Ca 0.11 0.31 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 1ozi s HIS 98 Cb -0.12 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1ozi s HIS 98 CO 0.02 0.28 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.48 1ozi s LEU 99 N 0.34 2.08 -0.51 0.89 1.02 0.33 0.56 118.68 123.38 1ozi s LEU 99 Ca 0.08 -0.42 -0.21 0.00 0.02 0.00 0.00 54.13 53.59 1ozi s LEU 99 Cb -0.11 -1.04 0.05 0.00 0.02 0.00 0.00 46.19 45.10 1ozi s LEU 99 CO -0.02 0.23 0.76 -0.22 0.02 0.00 0.00 176.35 177.12 1ozi s LEU 100 N -0.68 4.54 0.35 1.79 0.20 0.16 0.74 118.68 125.78 1ozi s LEU 100 Ca 0.08 -0.59 0.09 0.00 0.69 0.00 0.00 54.13 54.40 1ozi s LEU 100 Cb -0.08 -2.65 -0.05 0.00 -0.43 0.00 0.00 46.19 42.97 1ozi s LEU 100 CO -0.00 -1.01 0.04 -0.76 -0.29 0.00 0.00 176.35 174.32 1ozi s LEU 101 N 3.20 3.01 -0.17 -0.68 1.02 -0.55 0.08 118.68 124.60 1ozi s LEU 101 Ca 0.23 -1.00 -0.01 0.00 0.02 0.00 0.00 54.13 53.37 1ozi s LEU 101 Cb -0.16 -1.37 0.05 0.00 0.02 0.00 0.00 46.19 44.73 1ozi s LEU 101 CO 0.16 -0.28 -0.02 -0.70 0.02 0.00 0.00 176.35 175.53 1ozi s GLU 102 N -3.74 1.13 -0.25 1.70 2.12 0.41 -1.33 118.70 118.73 1ozi s GLU 102 Ca 0.36 -0.45 -0.40 0.00 0.36 0.00 0.00 54.97 54.84 1ozi s GLU 102 Cb 0.01 -1.94 -0.16 0.00 0.26 0.00 0.00 34.13 32.29 1ozi s GLU 102 CO 0.20 -0.48 1.68 1.17 -0.54 0.00 0.00 175.26 177.29 1ozi n LYS 103 N 4.94 1.08 -0.91 4.30 3.00 -0.59 -1.71 118.16 128.27 1ozi n LYS 103 Ca -0.10 0.39 -0.19 0.00 -0.00 0.00 0.00 58.31 58.41 1ozi n LYS 103 Cb 0.48 -2.06 0.11 0.00 0.00 0.00 0.00 35.03 33.55 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 3.97 4.01 3.04 3.14 0.00 -1.25 -2.03 105.19 116.06 1ozi n GLY 104 Ca 0.26 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1ozi n GLY 104 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ozi s GLN 105 N -2.39 0.33 -0.50 1.61 -2.07 -1.26 -4.27 119.66 111.11 1ozi s GLN 105 Ca 0.41 0.71 0.04 0.00 -1.82 0.00 0.00 55.36 54.70 1ozi s GLN 105 Cb 0.34 -0.18 0.13 0.00 -1.09 0.00 0.00 33.01 32.20 1ozi s GLN 105 CO 0.06 -0.50 0.24 0.08 -1.32 0.00 0.00 175.29 173.85 1ozi s VAL 106 N 2.56 2.52 -2.75 3.63 1.01 -1.26 -4.14 120.40 121.98 1ozi s VAL 106 Ca 0.08 -3.22 0.26 0.00 0.00 0.00 0.00 61.98 59.09 1ozi s VAL 106 Cb -0.14 -2.76 0.37 0.00 0.00 0.00 0.00 36.38 33.84 1ozi s VAL 106 CO -0.14 -0.79 1.50 -0.81 0.00 0.00 0.00 175.10 174.86