#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 0.53 -0.68 1.97 -0.02 -1.26 -1.08 135.00 134.46 1ozi n PRO 10 Ca 0.00 -0.12 -0.03 0.00 -2.02 0.00 0.00 63.50 61.34 1ozi n PRO 10 Cb 0.00 -1.41 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 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 2.07 -0.01 3.76 -1.23 0.00 -1.17 -4.46 105.19 104.15 1ozi n GLY 11 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.40 7.29 -0.30 1.61 2.15 -0.24 -4.57 116.67 122.20 1ozi s ASP 12 Ca 0.00 1.54 -0.23 0.00 0.43 0.00 0.00 52.55 54.29 1ozi s ASP 12 Cb 0.00 -2.49 -0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1ozi s ASP 12 CO 0.00 0.08 0.76 0.42 -0.17 0.00 0.00 175.17 176.26 1ozi s THR 13 N -0.43 4.82 0.05 1.71 -4.23 -1.26 0.18 115.64 116.48 1ozi s THR 13 Ca 0.38 1.16 0.03 0.00 -1.18 0.00 0.00 61.69 62.08 1ozi s THR 13 Cb -0.22 -4.11 -0.02 0.00 1.34 0.00 0.00 72.50 69.49 1ozi s THR 13 CO 0.25 -0.21 -0.10 0.72 -0.54 0.00 0.00 174.62 174.74 1ozi s PHE 14 N 2.88 0.84 -0.35 3.99 -0.71 0.28 -4.97 117.98 119.93 1ozi s PHE 14 Ca 0.31 -0.46 -0.09 0.00 -1.04 0.00 0.00 56.93 55.64 1ozi s PHE 14 Cb -0.14 -0.49 0.03 0.00 -1.21 0.00 0.00 43.02 41.20 1ozi s PHE 14 CO 0.12 -0.04 0.16 -1.21 -1.34 0.00 0.00 175.22 172.92 1ozi s GLU 15 N -1.54 2.84 -0.19 1.99 2.02 -1.26 0.19 118.70 122.75 1ozi s GLU 15 Ca -0.07 -1.06 -0.21 0.00 0.02 0.00 0.00 54.97 53.66 1ozi s GLU 15 Cb -0.10 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 1ozi s GLU 15 CO 0.01 -0.65 0.62 0.54 0.02 0.00 0.00 175.26 175.80 1ozi s VAL 16 N 1.51 5.04 -0.97 2.63 0.11 0.12 -4.82 120.40 124.02 1ozi s VAL 16 Ca 0.01 1.17 -0.19 0.00 -2.93 0.00 0.00 61.98 60.04 1ozi s VAL 16 Cb -0.19 -3.93 0.12 0.00 -1.53 0.00 0.00 36.38 30.85 1ozi s VAL 16 CO 0.05 0.13 1.20 -0.70 -3.33 0.00 0.00 175.10 172.45 1ozi s GLU 17 N 1.79 3.64 -0.34 1.54 2.12 -1.26 -0.84 118.70 125.35 1ozi s GLU 17 Ca 0.29 -1.76 -0.16 0.00 0.36 0.00 0.00 54.97 53.70 1ozi s GLU 17 Cb -0.16 -4.99 -0.01 0.00 0.26 0.00 0.00 34.13 29.23 1ozi s GLU 17 CO 0.11 -1.83 0.41 -1.17 -0.54 0.00 0.00 175.26 172.23 1ozi s LEU 18 N 2.87 4.39 -0.34 2.70 1.98 0.22 -4.92 118.68 125.59 1ozi s LEU 18 Ca 0.35 -0.14 -0.13 0.00 -2.89 0.00 0.00 54.13 51.32 1ozi s LEU 18 Cb -0.04 -2.42 -0.02 0.00 0.66 0.00 0.00 46.19 44.38 1ozi s LEU 18 CO -0.09 -0.37 0.24 0.00 -1.89 0.00 0.00 176.35 174.24 1ozi s ALA 19 N 2.13 3.50 0.51 5.97 0.00 -1.26 -0.86 121.76 131.74 1ozi s ALA 19 Ca 0.14 -1.38 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 1ozi s ALA 19 Cb -0.16 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 1ozi s ALA 19 CO 0.12 -0.96 1.29 0.15 0.00 0.00 0.00 175.76 176.35 1ozi s LYS 20 N 1.72 3.38 -0.50 0.00 1.02 -0.53 -4.76 119.74 120.07 1ozi s LYS 20 Ca 0.06 2.06 0.04 0.00 0.02 0.00 0.00 55.97 58.15 1ozi s LYS 20 Cb -0.17 -2.32 0.13 0.00 -0.52 0.00 0.00 37.83 34.95 1ozi s LYS 20 CO 0.10 -0.94 0.25 -0.08 -0.92 0.00 0.00 175.35 173.76 1ozi s THR 21 N -1.39 2.33 0.00 2.17 -1.32 -1.24 -4.94 115.64 111.24 1ozi s THR 21 Ca 0.68 -3.14 0.00 0.00 -1.21 0.00 0.00 61.69 58.02 1ozi s THR 21 Cb -0.36 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 1ozi s THR 21 CO 0.43 -0.82 0.00 -0.67 -2.21 0.00 0.00 174.62 171.35 1ozi n ASP 22 N 3.22 0.00 -3.55 8.08 2.03 -1.26 -4.43 116.55 120.63 1ozi n ASP 22 Ca 0.06 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.04 1ozi n ASP 22 Cb 0.33 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.00 5.16 4.65 0.27 0.00 -1.26 -5.05 105.19 108.96 1ozi n GLY 23 Ca 0.00 -2.73 0.04 0.00 0.00 0.00 0.00 46.02 43.33 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 0.76 -3.39 -4.79 1.61 3.41 -1.26 -4.86 113.62 105.10 1ozi n SER 24 Ca 0.30 0.28 -0.31 0.00 -0.26 0.00 0.00 58.87 58.89 1ozi n SER 24 Cb 0.37 -0.80 0.08 0.00 -0.26 0.00 0.00 64.21 63.60 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 3.03 -0.49 1.04 1.43 -1.26 -3.71 118.68 118.72 1ozi s LEU 25 Ca 0.00 1.71 -0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1ozi s LEU 25 Cb 0.00 -4.47 0.30 0.00 0.03 0.00 0.00 46.19 42.05 1ozi s LEU 25 CO 0.00 -1.82 2.08 0.61 0.23 0.00 0.00 176.35 177.45 1ozi n GLY 26 N -1.55 4.87 2.95 -3.19 0.00 -1.26 -4.85 105.19 102.17 1ozi n GLY 26 Ca 0.08 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.39 0.49 -0.22 -0.61 -4.36 -1.26 -1.03 121.20 110.82 1ozi s ILE 27 Ca 0.47 -0.23 -0.15 0.00 -0.26 0.00 0.00 60.65 60.48 1ozi s ILE 27 Cb 0.36 -0.44 -0.04 0.00 1.25 0.00 0.00 42.46 43.60 1ozi s ILE 27 CO -0.04 0.16 0.39 -0.55 0.24 0.00 0.00 174.94 175.13 1ozi s SER 28 N 0.10 6.37 0.65 4.36 0.15 0.99 -4.79 113.70 121.54 1ozi s SER 28 Ca -0.01 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.09 1ozi s SER 28 Cb -0.05 -2.22 0.10 0.00 -1.71 0.00 0.00 66.02 62.13 1ozi s SER 28 CO -0.00 -0.11 0.90 0.54 1.20 0.00 0.00 173.24 175.77 1ozi s VAL 29 N 1.55 2.28 -0.15 4.45 0.11 -1.26 0.33 120.40 127.71 1ozi s VAL 29 Ca 0.18 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.25 1ozi s VAL 29 Cb -0.15 -2.60 0.11 0.00 -1.53 0.00 0.00 36.38 32.21 1ozi s VAL 29 CO 0.08 0.00 0.91 0.28 -3.33 0.00 0.00 175.10 173.04 1ozi s THR 30 N -2.97 0.00 -0.19 5.04 -1.32 0.05 -4.25 115.64 112.01 1ozi s THR 30 Ca 0.63 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.09 1ozi s THR 30 Cb -0.07 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1ozi s THR 30 CO 0.42 0.00 -0.09 0.54 -2.21 0.00 0.00 174.62 173.28 1ozi s VAL 31 N -0.96 3.10 -0.35 5.08 0.11 -1.26 -0.55 120.40 125.56 1ozi s VAL 31 Ca -0.04 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.40 1ozi s VAL 31 Cb -0.01 -2.37 0.09 0.00 -1.53 0.00 0.00 36.38 32.56 1ozi s VAL 31 CO 0.03 0.47 0.10 -0.76 -3.33 0.00 0.00 175.10 171.61 1ozi s LEU 32 N 1.13 4.67 0.74 2.54 1.43 0.78 -4.91 118.68 125.06 1ozi s LEU 32 Ca 0.01 -1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 51.18 1ozi s LEU 32 Cb -0.14 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.38 1ozi s LEU 32 CO -0.02 -0.41 1.08 -0.36 0.23 0.00 0.00 176.35 176.87 1ozi s PHE 33 N 1.11 2.99 -1.25 0.29 0.08 -1.26 -3.63 117.98 116.32 1ozi s PHE 33 Ca 0.04 1.29 0.24 0.00 0.12 0.00 0.00 56.93 58.62 1ozi s PHE 33 Cb -0.21 -2.99 0.37 0.00 -0.57 0.00 0.00 43.02 39.62 1ozi s PHE 33 CO -0.04 -1.47 1.32 -0.40 -0.10 0.00 0.00 175.22 174.53 1ozi n ASP 34 N -3.26 0.84 -4.77 1.36 5.75 -1.26 -4.86 116.55 110.34 1ozi n ASP 34 Ca 0.07 -0.64 -0.41 0.00 -0.01 0.00 0.00 54.79 53.80 1ozi n ASP 34 Cb 0.55 0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 41.01 1ozi n ASP 34 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ozi s LYS 35 N -2.85 4.36 0.00 0.11 -0.14 -1.26 -4.33 119.74 115.62 1ozi s LYS 35 Ca 0.14 2.21 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 1ozi s LYS 35 Cb 0.18 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1ozi s LYS 35 CO 0.68 -0.19 0.00 0.41 -0.76 0.00 0.00 175.35 175.49 1ozi n GLY 36 N 0.86 1.69 0.69 -3.33 0.00 -1.26 -5.01 105.19 98.84 1ozi n GLY 36 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1ozi n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 37 N 0.00 1.38 1.22 -0.02 0.00 -1.26 -4.94 105.19 101.57 1ozi n GLY 37 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.12 1.40 0.09 1.61 0.31 -1.26 -4.11 118.33 116.25 1ozi n VAL 38 Ca -0.01 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1ozi n VAL 38 Cb 0.11 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1ozi n VAL 38 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ozi n ASN 39 N 0.16 -0.51 -1.21 4.52 5.03 -1.26 -5.17 115.26 116.82 1ozi n ASN 39 Ca 0.16 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.93 1ozi n ASN 39 Cb 0.75 0.63 0.00 0.00 -1.02 0.00 0.00 39.78 40.14 1ozi n ASN 39 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1ozi n THR 40 N -3.04 -5.02 0.00 3.41 -1.04 -1.26 -4.85 114.28 102.48 1ozi n THR 40 Ca 0.00 1.72 -0.03 0.00 -2.04 0.00 0.00 64.05 63.70 1ozi n THR 40 Cb 0.00 -2.86 0.20 0.00 -1.82 0.00 0.00 70.33 65.85 1ozi n THR 40 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ozi h SER 41 N 2.02 0.52 -3.16 8.00 4.64 -1.96 -3.44 113.55 120.17 1ozi h SER 41 Ca 0.00 -0.17 -0.57 0.00 -0.47 0.00 0.00 61.79 60.59 1ozi h SER 41 Cb 0.00 -0.14 0.10 0.00 -0.31 0.00 0.00 62.40 62.05 1ozi h SER 41 CO 0.00 0.74 0.60 0.52 -0.87 0.00 0.00 176.83 177.82 1ozi n VAL 42 N -4.14 1.56 -2.38 0.95 0.31 -1.26 -4.91 118.33 108.47 1ozi n VAL 42 Ca -0.00 -0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 63.51 1ozi n VAL 42 Cb 0.39 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.68 1ozi n VAL 42 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ozi s ARG 43 N -1.28 4.05 0.25 5.55 3.00 -1.26 -4.95 118.95 124.31 1ozi s ARG 43 Ca 0.60 1.50 -0.31 0.00 0.00 0.00 0.00 55.73 57.52 1ozi s ARG 43 Cb -0.58 -3.85 -0.13 0.00 0.00 0.00 0.00 34.95 30.40 1ozi s ARG 43 CO 0.57 -0.94 1.48 -2.39 0.00 0.00 0.00 175.30 174.02 1ozi n HIS 44 N 7.24 2.39 0.00 -0.53 1.44 -1.26 -4.66 115.22 119.84 1ozi n HIS 44 Ca 0.15 0.36 0.00 0.00 -2.01 0.00 0.00 57.72 56.22 1ozi n HIS 44 Cb 0.46 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 28.05 1ozi n HIS 44 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ozi n GLY 45 N 2.30 -1.01 0.00 -1.39 0.00 -1.26 -5.10 105.19 98.72 1ozi n GLY 45 Ca 0.11 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.45 3.79 -0.02 0.00 -1.24 -4.72 105.19 100.55 1ozi n GLY 46 Ca 0.00 0.82 -0.36 0.00 0.00 0.00 0.00 46.02 46.48 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 5.11 0.13 -0.61 -1.09 -1.21 -0.16 121.20 123.38 1ozi s ILE 47 Ca 0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1ozi s ILE 47 Cb 0.00 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1ozi s ILE 47 CO 0.00 0.58 0.01 -0.31 -1.23 0.00 0.00 174.94 174.00 1ozi s TYR 48 N -0.72 0.95 -0.38 3.97 1.51 0.28 0.28 117.35 123.25 1ozi s TYR 48 Ca 0.13 -1.10 -0.23 0.00 -1.01 0.00 0.00 57.07 54.86 1ozi s TYR 48 Cb -0.12 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1ozi s TYR 48 CO 0.03 -0.35 0.75 0.08 -1.11 0.00 0.00 175.55 174.95 1ozi s VAL 49 N -3.85 4.75 0.13 0.71 1.01 -0.59 -0.77 120.40 121.79 1ozi s VAL 49 Ca 0.21 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 1ozi s VAL 49 Cb 0.07 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 32.06 1ozi s VAL 49 CO 0.00 -0.46 1.30 0.50 0.00 0.00 0.00 175.10 176.44 1ozi h LYS 50 N 8.57 0.38 -2.19 2.72 3.64 -0.30 -1.88 116.57 127.51 1ozi h LYS 50 Ca -0.25 -0.42 0.18 0.00 -1.27 0.00 0.00 60.65 58.89 1ozi h LYS 50 Cb 1.10 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.93 1ozi h LYS 50 CO 0.91 1.10 0.54 0.00 -2.27 0.00 0.00 179.45 179.72 1ozi s ALA 51 N -3.21 -1.78 -0.22 5.00 0.00 -0.94 -4.69 121.76 115.93 1ozi s ALA 51 Ca -0.05 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 1ozi s ALA 51 Cb 0.09 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1ozi s ALA 51 CO 0.86 -0.94 0.01 0.42 0.00 0.00 0.00 175.76 176.11 1ozi s ILE 52 N -3.11 3.95 0.28 0.00 -1.09 -1.26 -0.01 121.20 119.95 1ozi s ILE 52 Ca 0.11 -0.31 -0.21 0.00 -2.23 0.00 0.00 60.65 58.01 1ozi s ILE 52 Cb -0.01 -2.80 -0.09 0.00 -1.58 0.00 0.00 42.46 37.98 1ozi s ILE 52 CO -0.01 0.41 0.79 -0.63 -1.23 0.00 0.00 174.94 174.27 1ozi s ILE 53 N 1.22 4.49 0.00 2.92 -1.09 -0.19 -4.88 121.20 123.66 1ozi s ILE 53 Ca 0.03 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1ozi s ILE 53 Cb -0.15 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1ozi s ILE 53 CO 0.01 0.09 0.00 -2.65 -1.23 0.00 0.00 174.94 171.17 1ozi n PRO 54 N 0.42 1.06 0.00 2.79 -0.02 -1.26 -4.51 135.00 133.48 1ozi n PRO 54 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ozi n PRO 54 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 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 -4.09 118.16 116.30 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 3.80 0.00 0.72 0.00 -1.26 -5.02 105.19 103.43 1ozi n GLY 56 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.00 -0.06 4.61 0.00 -1.26 0.75 120.51 124.55 1ozi n ALA 57 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1ozi n ALA 57 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1ozi n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozi n ALA 58 N -0.51 1.60 -0.07 0.00 0.00 -1.26 -1.07 120.51 119.20 1ozi n ALA 58 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 53.44 52.28 1ozi n ALA 58 Cb 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 1ozi n ALA 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ozi h GLU 59 N 0.00 0.00 0.09 0.00 4.81 -1.54 0.25 114.58 118.18 1ozi h GLU 59 Ca -0.40 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.51 1ozi h GLU 59 Cb 2.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 1ozi h GLU 59 CO 0.05 0.68 -1.66 0.77 -0.73 0.00 0.00 179.01 178.11 1ozi h SER 60 N -1.00 0.29 0.00 1.04 0.02 0.10 -3.37 113.55 110.63 1ozi h SER 60 Ca -0.07 -0.49 -0.30 0.00 -0.84 0.00 0.00 61.79 60.09 1ozi h SER 60 Cb 0.79 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1ozi h SER 60 CO -0.04 1.42 -2.25 0.47 -1.14 0.00 0.00 176.83 175.28 1ozi n ASP 61 N -3.36 0.32 0.00 3.07 8.00 -0.58 -4.93 116.55 119.08 1ozi n ASP 61 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1ozi n ASP 61 Cb 1.04 1.09 0.00 0.00 -0.02 0.00 0.00 41.12 43.23 1ozi n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ozi n GLY 62 N 1.77 0.73 0.00 0.44 0.00 -0.24 -4.95 105.19 102.94 1ozi n GLY 62 Ca -0.27 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.00 -3.39 1.61 1.74 -0.03 -4.81 116.66 111.78 1ozi n ARG 63 Ca 0.00 -0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.71 1ozi n ARG 63 Cb 0.00 -0.14 -0.06 0.00 -1.02 0.00 0.00 32.46 31.24 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 0.00 4.90 0.27 0.55 1.01 -0.55 -5.01 121.20 122.37 1ozi s ILE 64 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1ozi s ILE 64 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1ozi s ILE 64 CO 0.00 0.02 0.17 -1.38 0.00 0.00 0.00 174.94 173.75 1ozi s HIS 65 N -1.72 1.47 0.08 3.97 -3.43 -1.26 -4.30 115.29 110.10 1ozi s HIS 65 Ca 0.45 -1.41 -0.31 0.00 -0.80 0.00 0.00 55.06 52.99 1ozi s HIS 65 Cb -0.12 -0.73 -0.06 0.00 -1.43 0.00 0.00 32.58 30.24 1ozi s HIS 65 CO 0.20 -0.61 1.23 -1.59 -2.00 0.00 0.00 174.74 171.97 1ozi s LYS 66 N -3.89 4.42 0.00 -0.38 -2.85 -1.26 -3.04 119.74 112.74 1ozi s LYS 66 Ca 0.38 1.83 0.00 0.00 -1.00 0.00 0.00 55.97 57.18 1ozi s LYS 66 Cb 0.05 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 1ozi s LYS 66 CO 0.17 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1ozi n GLY 67 N 3.18 2.03 3.76 0.59 0.00 -0.70 -4.60 105.19 109.44 1ozi n GLY 67 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.83 7.08 -0.03 1.61 1.01 -1.17 -2.48 116.67 120.86 1ozi s ASP 68 Ca 0.00 2.38 -0.19 0.00 0.71 0.00 0.00 52.55 55.45 1ozi s ASP 68 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1ozi s ASP 68 CO 0.00 -0.32 0.53 -0.60 0.21 0.00 0.00 175.17 174.99 1ozi s ARG 69 N -1.17 4.24 -0.24 8.23 3.52 -0.40 -1.54 118.95 131.59 1ozi s ARG 69 Ca 0.48 0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 56.61 1ozi s ARG 69 Cb -0.34 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 1ozi s ARG 69 CO 0.43 0.40 0.06 0.08 -0.81 0.00 0.00 175.30 175.46 1ozi s VAL 70 N -0.22 4.27 -0.19 7.11 1.01 0.14 0.34 120.40 132.86 1ozi s VAL 70 Ca 0.28 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1ozi s VAL 70 Cb -0.17 -2.99 -0.21 0.00 0.00 0.00 0.00 36.38 33.01 1ozi s VAL 70 CO 0.15 0.36 0.05 0.18 0.00 0.00 0.00 175.10 175.83 1ozi n LEU 71 N 4.79 2.34 -3.68 3.92 4.77 0.58 -3.33 117.00 126.40 1ozi n LEU 71 Ca -0.16 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.74 1ozi n LEU 71 Cb 0.51 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1ozi n LEU 71 CO 0.31 0.82 0.22 0.00 -1.33 0.00 0.00 177.39 177.40 1ozi s ALA 72 N -2.53 -0.93 -0.32 -1.18 0.00 -0.57 -1.92 121.76 114.30 1ozi s ALA 72 Ca -0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1ozi s ALA 72 Cb 0.08 0.79 0.07 0.00 0.00 0.00 0.00 23.12 24.05 1ozi s ALA 72 CO 0.70 -0.72 0.04 0.08 0.00 0.00 0.00 175.76 175.85 1ozi s VAL 73 N -3.84 2.90 -1.50 0.00 1.01 0.38 0.60 120.40 119.96 1ozi s VAL 73 Ca 0.06 -1.64 -0.01 0.00 0.00 0.00 0.00 61.98 60.39 1ozi s VAL 73 Cb 0.01 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ozi s VAL 73 CO -0.07 -0.27 0.19 -3.20 0.00 0.00 0.00 175.10 171.75 1ozi n ASN 74 N 4.56 -5.42 0.00 3.32 5.15 -0.21 -0.88 115.26 121.78 1ozi n ASN 74 Ca -0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1ozi n ASN 74 Cb 0.43 -4.40 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 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 -1.17 3.34 3.61 8.20 0.00 -1.26 -5.02 105.19 112.89 1ozi n GLY 75 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.63 4.54 0.03 1.61 1.01 -0.06 -4.95 120.40 119.95 1ozi s VAL 76 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 1ozi s VAL 76 Cb 0.00 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1ozi s VAL 76 CO 0.00 -0.57 1.31 -0.55 0.00 0.00 0.00 175.10 175.29 1ozi s SER 77 N 1.89 6.94 -0.09 3.32 0.15 -1.26 -0.47 113.70 124.17 1ozi s SER 77 Ca 0.40 2.08 0.20 0.00 0.70 0.00 0.00 55.95 59.33 1ozi s SER 77 Cb -0.12 -2.57 0.43 0.00 -1.71 0.00 0.00 66.02 62.05 1ozi s SER 77 CO 0.19 -0.61 1.19 0.00 1.20 0.00 0.00 173.24 175.21 1ozi n LEU 78 N 4.60 1.74 0.04 3.45 -0.00 -0.81 -4.78 117.00 121.24 1ozi n LEU 78 Ca 0.11 -2.82 0.08 0.00 -0.00 0.00 0.00 56.01 53.38 1ozi n LEU 78 Cb 0.45 -0.22 0.35 0.00 -0.00 0.00 0.00 43.42 43.99 1ozi n LEU 78 CO 0.57 0.89 0.75 -0.62 -0.00 0.00 0.00 177.39 178.99 1ozi n GLU 79 N -0.19 0.05 -0.57 1.47 1.02 -1.25 -0.99 120.64 120.18 1ozi n GLU 79 Ca 0.12 0.31 0.06 0.00 -0.02 0.00 0.00 57.16 57.63 1ozi n GLU 79 Cb 0.95 -1.61 0.27 0.00 -0.02 0.00 0.00 31.44 31.03 1ozi n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ozi n GLY 80 N -0.10 4.04 0.00 0.62 0.00 -1.26 -4.05 105.19 104.44 1ozi n GLY 80 Ca 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ozi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi n ALA 81 N -0.48 0.00 -2.74 4.61 0.00 -0.16 -5.15 120.51 116.59 1ozi n ALA 81 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 1ozi n ALA 81 Cb 0.98 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.36 1ozi n ALA 81 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ozi s THR 82 N 1.68 0.00 0.10 0.00 -1.32 -1.26 -4.99 115.64 109.85 1ozi s THR 82 Ca 0.00 -1.68 -0.34 0.00 -1.21 0.00 0.00 61.69 58.46 1ozi s THR 82 Cb 0.00 -2.44 -0.14 0.00 -1.51 0.00 0.00 72.50 68.41 1ozi s THR 82 CO 0.00 0.00 1.54 -0.74 -2.21 0.00 0.00 174.62 173.21 1ozi h HIS 83 N 2.32 -1.52 -0.71 9.09 2.76 -1.91 0.22 115.15 125.40 1ozi h HIS 83 Ca -0.30 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 57.93 1ozi h HIS 83 Cb 1.25 0.65 -0.04 0.00 1.55 0.00 0.00 27.41 30.82 1ozi h HIS 83 CO 0.78 -0.58 0.47 -0.22 -1.30 0.00 0.00 177.93 177.08 1ozi h LYS 84 N -0.71 0.91 -0.27 5.26 1.63 -1.98 0.08 116.57 121.49 1ozi h LYS 84 Ca -0.00 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1ozi h LYS 84 Cb 0.73 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1ozi h LYS 84 CO -0.30 0.60 -0.06 1.96 -3.45 0.00 0.00 179.45 178.20 1ozi h GLN 85 N 0.94 0.52 0.13 1.90 1.08 -1.78 -1.14 115.11 116.75 1ozi h GLN 85 Ca 0.27 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1ozi h GLN 85 Cb -0.06 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1ozi h GLN 85 CO -0.06 0.72 -0.06 0.00 -0.95 0.00 0.00 178.83 178.48 1ozi h ALA 86 N 0.78 -0.17 -0.21 3.87 0.00 0.07 -1.12 119.26 122.47 1ozi h ALA 86 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1ozi h ALA 86 Cb 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ozi h ALA 86 CO 0.03 -0.59 -0.37 -0.24 0.00 0.00 0.00 179.25 178.08 1ozi h VAL 87 N -0.19 1.29 0.00 0.00 3.04 -0.97 -1.62 116.25 117.80 1ozi h VAL 87 Ca -0.02 -1.48 -0.06 0.00 -1.01 0.00 0.00 66.70 64.12 1ozi h VAL 87 Cb 0.14 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1ozi h VAL 87 CO 0.03 0.46 -0.31 -0.33 -1.01 0.00 0.00 177.57 176.42 1ozi h GLU 88 N 0.39 0.00 0.00 4.17 4.39 -1.10 -1.08 114.58 121.35 1ozi h GLU 88 Ca 0.04 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1ozi h GLU 88 Cb 0.82 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1ozi h GLU 88 CO 0.07 0.31 -0.46 1.15 -1.16 0.00 0.00 179.01 178.91 1ozi h THR 89 N 0.00 1.18 0.00 1.13 2.02 -0.55 -0.91 112.91 115.78 1ozi h THR 89 Ca -0.00 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 65.44 1ozi h THR 89 Cb 1.12 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1ozi h THR 89 CO 0.04 0.45 -0.32 -0.07 0.37 0.00 0.00 175.52 175.99 1ozi h LEU 90 N 0.00 0.00 -0.00 2.58 3.38 -0.32 -1.36 115.31 119.58 1ozi h LEU 90 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ozi h LEU 90 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1ozi h LEU 90 CO 0.06 0.32 -0.01 0.03 0.09 0.00 0.00 178.44 178.93 1ozi h ARG 91 N 0.00 0.01 -0.13 1.13 2.47 -0.48 -3.35 114.38 114.03 1ozi h ARG 91 Ca -0.00 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1ozi h ARG 91 Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 1ozi h ARG 91 CO 0.04 0.69 -0.21 -0.97 0.56 0.00 0.00 179.97 180.08 1ozi h ASN 92 N -0.66 0.22 -0.41 7.04 -1.24 -1.04 -2.82 115.58 116.67 1ozi h ASN 92 Ca -0.00 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 56.90 1ozi h ASN 92 Cb 0.69 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 1ozi h ASN 92 CO 0.00 0.45 0.09 0.71 -1.29 0.00 0.00 177.43 177.39 1ozi h THR 93 N 0.21 1.22 0.00 -3.57 1.35 -1.38 -3.49 112.91 107.25 1ozi h THR 93 Ca 0.04 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1ozi h THR 93 Cb 0.50 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1ozi h THR 93 CO 0.03 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1ozi n GLY 94 N -0.86 0.07 0.09 5.82 0.00 -1.07 -4.78 105.19 104.47 1ozi n GLY 94 Ca 0.03 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 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 -4.63 1.61 4.15 -1.89 -3.44 115.11 110.90 1ozi h GLN 95 Ca 0.00 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.72 1ozi h GLN 95 Cb 0.00 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 27.49 1ozi h GLN 95 CO 0.00 0.78 -0.40 0.08 -1.93 0.00 0.00 178.83 177.37 1ozi s VAL 96 N -2.30 5.23 -0.24 2.39 1.01 -1.26 -1.45 120.40 123.78 1ozi s VAL 96 Ca -0.24 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1ozi s VAL 96 Cb 0.04 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ozi s VAL 96 CO 0.51 -0.25 0.07 -0.69 0.00 0.00 0.00 175.10 174.74 1ozi s VAL 97 N 1.78 4.36 -1.21 2.92 1.01 -0.04 -4.92 120.40 124.30 1ozi s VAL 97 Ca 0.07 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1ozi s VAL 97 Cb -0.18 -3.03 0.22 0.00 0.00 0.00 0.00 36.38 33.38 1ozi s VAL 97 CO 0.11 0.35 1.72 1.41 0.00 0.00 0.00 175.10 178.69 1ozi n HIS 98 N 4.80 2.80 -2.34 5.22 8.25 -1.24 -0.61 115.22 132.10 1ozi n HIS 98 Ca -0.16 -2.75 -0.41 0.00 -0.26 0.00 0.00 57.72 54.14 1ozi n HIS 98 Cb 0.51 -1.72 -0.03 0.00 1.12 0.00 0.00 29.99 29.87 1ozi n HIS 98 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ozi s LEU 99 N -0.99 4.50 -0.38 2.41 2.96 -0.02 -1.04 118.68 126.11 1ozi s LEU 99 Ca 0.37 2.41 -0.18 0.00 -0.22 0.00 0.00 54.13 56.50 1ozi s LEU 99 Cb 0.07 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1ozi s LEU 99 CO 0.04 -0.31 0.51 -0.22 -1.32 0.00 0.00 176.35 175.05 1ozi s LEU 100 N -1.38 4.47 0.37 -0.68 2.96 0.20 0.14 118.68 124.75 1ozi s LEU 100 Ca 0.47 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 54.26 1ozi s LEU 100 Cb -0.35 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.73 1ozi s LEU 100 CO 0.44 -0.53 0.01 -0.76 -1.32 0.00 0.00 176.35 174.18 1ozi s LEU 101 N 2.39 2.91 -0.10 -0.68 1.02 0.13 -0.31 118.68 124.04 1ozi s LEU 101 Ca 0.18 -1.14 0.01 0.00 0.02 0.00 0.00 54.13 53.20 1ozi s LEU 101 Cb -0.16 -1.17 0.02 0.00 0.02 0.00 0.00 46.19 44.90 1ozi s LEU 101 CO 0.14 -0.31 -0.11 -0.70 0.02 0.00 0.00 176.35 175.39 1ozi s GLU 102 N -3.71 1.71 -0.13 1.70 2.12 0.15 -0.56 118.70 119.98 1ozi s GLU 102 Ca 0.35 -0.37 -0.38 0.00 0.36 0.00 0.00 54.97 54.93 1ozi s GLU 102 Cb 0.03 -1.58 -0.15 0.00 0.26 0.00 0.00 34.13 32.69 1ozi s GLU 102 CO 0.19 -0.13 1.63 1.17 -0.54 0.00 0.00 175.26 177.58 1ozi n LYS 103 N 4.42 1.30 -1.46 4.30 3.00 0.13 -1.27 118.16 128.57 1ozi n LYS 103 Ca -0.18 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1ozi n LYS 103 Cb 0.51 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.37 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 3.68 4.17 2.17 3.14 0.00 -1.26 -3.01 105.19 114.07 1ozi n GLY 104 Ca 0.23 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.19 0.00 -4.82 1.61 6.02 -1.03 -4.61 117.38 114.35 1ozi n GLN 105 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1ozi n GLN 105 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 1ozi n GLN 105 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ozi s VAL 106 N -2.00 2.37 -2.69 5.09 1.01 -1.26 -4.55 120.40 118.38 1ozi s VAL 106 Ca 0.00 -0.89 0.26 0.00 0.00 0.00 0.00 61.98 61.36 1ozi s VAL 106 Cb 0.00 -1.96 0.41 0.00 0.00 0.00 0.00 36.38 34.84 1ozi s VAL 106 CO 0.00 0.54 1.56 -0.81 0.00 0.00 0.00 175.10 176.39