#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 0.94 0.00 1.97 -0.02 -1.26 -1.97 135.00 134.66 1ozi n PRO 10 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1ozi n PRO 10 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.71 2.14 3.81 -1.23 0.00 0.89 -4.96 105.19 108.56 1ozi n GLY 11 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.57 7.06 0.11 1.61 2.15 -0.83 -4.76 116.67 120.45 1ozi s ASP 12 Ca 0.00 1.34 -0.06 0.00 0.43 0.00 0.00 52.55 54.25 1ozi s ASP 12 Cb 0.00 -2.39 -0.06 0.00 -0.30 0.00 0.00 42.92 40.18 1ozi s ASP 12 CO 0.00 0.15 0.37 0.42 -0.17 0.00 0.00 175.17 175.94 1ozi s THR 13 N -1.32 5.16 -0.04 1.71 -4.23 -1.26 0.58 115.64 116.24 1ozi s THR 13 Ca 0.36 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.88 1ozi s THR 13 Cb -0.18 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.06 1ozi s THR 13 CO 0.21 0.13 0.31 0.72 -0.54 0.00 0.00 174.62 175.45 1ozi s PHE 14 N -1.56 -0.22 -0.55 3.99 -0.71 0.88 -4.94 117.98 114.87 1ozi s PHE 14 Ca 0.38 0.40 -0.12 0.00 -1.04 0.00 0.00 56.93 56.55 1ozi s PHE 14 Cb -0.13 0.10 0.14 0.00 -1.21 0.00 0.00 43.02 41.92 1ozi s PHE 14 CO 0.22 -0.34 0.46 -1.21 -1.34 0.00 0.00 175.22 173.01 1ozi s GLU 15 N -0.98 2.81 -0.08 1.99 2.02 -1.26 -0.33 118.70 122.86 1ozi s GLU 15 Ca -0.10 -1.89 -0.27 0.00 0.02 0.00 0.00 54.97 52.72 1ozi s GLU 15 Cb -0.05 -4.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.05 1ozi s GLU 15 CO 0.03 -1.25 0.87 0.54 0.02 0.00 0.00 175.26 175.47 1ozi s VAL 16 N 1.19 4.90 -0.87 2.63 0.11 0.28 -4.87 120.40 123.78 1ozi s VAL 16 Ca 0.07 1.78 -0.12 0.00 -2.93 0.00 0.00 61.98 60.79 1ozi s VAL 16 Cb -0.25 -4.20 0.23 0.00 -1.53 0.00 0.00 36.38 30.63 1ozi s VAL 16 CO -0.01 0.12 0.80 -1.83 -3.33 0.00 0.00 175.10 170.86 1ozi s GLU 17 N 1.42 3.62 -0.37 1.54 -1.05 -1.26 -0.30 118.70 122.30 1ozi s GLU 17 Ca 0.44 -2.64 -0.23 0.00 -0.15 0.00 0.00 54.97 52.39 1ozi s GLU 17 Cb -0.18 -4.38 0.01 0.00 -0.44 0.00 0.00 34.13 29.14 1ozi s GLU 17 CO 0.20 -1.27 0.79 -1.17 0.95 0.00 0.00 175.26 174.75 1ozi s LEU 18 N -0.17 4.14 -0.37 1.83 1.98 0.38 -4.85 118.68 121.62 1ozi s LEU 18 Ca 0.20 0.31 -0.18 0.00 -2.89 0.00 0.00 54.13 51.58 1ozi s LEU 18 Cb -0.11 -3.03 0.00 0.00 0.66 0.00 0.00 46.19 43.72 1ozi s LEU 18 CO -0.08 -0.76 0.50 0.00 -1.89 0.00 0.00 176.35 174.12 1ozi s ALA 19 N 3.14 3.46 0.16 5.97 0.00 -1.26 -0.35 121.76 132.87 1ozi s ALA 19 Ca 0.31 -1.10 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 1ozi s ALA 19 Cb -0.13 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.85 1ozi s ALA 19 CO 0.18 -1.30 1.79 0.15 0.00 0.00 0.00 175.76 176.57 1ozi s LYS 20 N 2.37 4.13 0.00 0.00 1.02 0.12 -4.82 119.74 122.57 1ozi s LYS 20 Ca 0.18 2.60 0.00 0.00 0.02 0.00 0.00 55.97 58.77 1ozi s LYS 20 Cb -0.16 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1ozi s LYS 20 CO 0.14 -0.81 0.00 0.25 -0.92 0.00 0.00 175.35 174.01 1ozi n THR 21 N 4.44 0.00 0.00 2.17 -2.24 -1.21 -4.88 114.28 112.56 1ozi n THR 21 Ca 0.17 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 1ozi n THR 21 Cb 0.37 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.81 0.00 -1.50 3.42 2.03 -1.26 -4.84 116.55 112.59 1ozi n ASP 22 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1ozi n ASP 22 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.75 2.99 7.00 0.27 0.00 -1.24 -5.01 105.19 108.46 1ozi n GLY 23 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.17 0.00 0.20 1.61 3.41 -1.26 -2.89 113.62 114.52 1ozi n SER 24 Ca 0.25 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.91 1ozi n SER 24 Cb 0.98 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.35 1ozi n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ozi h LEU 25 N 0.00 0.00 0.00 1.04 5.85 -1.93 -3.19 115.31 117.07 1ozi h LEU 25 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ozi h LEU 25 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ozi h LEU 25 CO 0.00 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 1ozi n GLY 26 N -0.38 0.47 3.11 3.75 0.00 -1.14 -2.14 105.19 108.85 1ozi n GLY 26 Ca -0.02 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 0.92 -0.09 -0.61 -4.36 -1.26 -1.09 121.20 112.71 1ozi s ILE 27 Ca 0.00 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.47 1ozi s ILE 27 Cb 0.00 -0.86 -0.03 0.00 1.25 0.00 0.00 42.46 42.83 1ozi s ILE 27 CO 0.00 -0.05 -0.09 -0.55 0.24 0.00 0.00 174.94 174.48 1ozi s SER 28 N -1.10 4.39 0.10 4.36 0.15 0.14 -4.98 113.70 116.75 1ozi s SER 28 Ca -0.01 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.58 1ozi s SER 28 Cb -0.08 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 62.92 1ozi s SER 28 CO 0.01 0.29 -0.20 0.68 1.20 0.00 0.00 173.24 175.22 1ozi s VAL 29 N -0.37 1.60 0.05 4.45 -7.23 -1.26 0.34 120.40 117.97 1ozi s VAL 29 Ca 0.05 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 1ozi s VAL 29 Cb -0.12 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1ozi s VAL 29 CO 0.02 -0.09 -0.20 0.28 -0.31 0.00 0.00 175.10 174.81 1ozi s THR 30 N -1.18 1.59 0.10 5.32 -1.32 0.12 -4.78 115.64 115.50 1ozi s THR 30 Ca 0.05 -1.20 0.10 0.00 -1.21 0.00 0.00 61.69 59.43 1ozi s THR 30 Cb -0.10 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 1ozi s THR 30 CO 0.04 0.16 -0.26 -0.69 -2.21 0.00 0.00 174.62 171.66 1ozi s VAL 31 N -0.83 2.12 -0.34 5.08 1.01 -1.26 -0.47 120.40 125.70 1ozi s VAL 31 Ca 0.07 -1.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 1ozi s VAL 31 Cb -0.09 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1ozi s VAL 31 CO 0.02 0.13 0.43 -0.76 0.00 0.00 0.00 175.10 174.92 1ozi s LEU 32 N -1.83 4.40 0.00 3.92 1.43 -1.06 -4.76 118.68 120.77 1ozi s LEU 32 Ca 0.12 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ozi s LEU 32 Cb -0.10 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1ozi s LEU 32 CO 0.05 -0.40 0.00 2.22 0.23 0.00 0.00 176.35 178.44 1ozi n PHE 33 N 5.55 0.00 -1.62 0.29 1.16 -1.26 -3.89 117.46 117.69 1ozi n PHE 33 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.51 1ozi n PHE 33 Cb 0.49 0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1ozi n ASP 34 N 0.00 0.00 -0.03 5.98 8.00 -1.26 -5.00 116.55 124.24 1ozi n ASP 34 Ca 0.00 -0.71 -0.13 0.00 0.71 0.00 0.00 54.79 54.66 1ozi n ASP 34 Cb 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 1ozi n ASP 34 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ozi h LYS 35 N 0.00 0.03 0.00 -1.24 3.64 -1.99 -3.48 116.57 113.52 1ozi h LYS 35 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ozi h LYS 35 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ozi h LYS 35 CO 0.00 0.63 0.00 0.41 -2.27 0.00 0.00 179.45 178.22 1ozi n GLY 36 N 0.55 1.40 0.00 5.01 0.00 -1.26 -4.96 105.19 105.93 1ozi n GLY 36 Ca -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.64 3.65 -0.02 0.00 -1.26 -5.08 105.19 100.84 1ozi n GLY 37 Ca 0.00 0.66 -0.27 0.00 0.00 0.00 0.00 46.02 46.41 1ozi n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ozi s VAL 38 N 0.00 3.67 0.00 1.61 -7.23 -1.26 -4.57 120.40 112.62 1ozi s VAL 38 Ca 0.00 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1ozi s VAL 38 Cb 0.00 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1ozi s VAL 38 CO 0.00 -0.06 0.00 0.59 -0.31 0.00 0.00 175.10 175.32 1ozi n ASN 39 N 0.07 0.00 -4.11 4.85 4.13 -1.26 -4.83 115.26 114.10 1ozi n ASN 39 Ca -0.10 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.73 1ozi n ASN 39 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 1ozi n ASN 39 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1ozi n THR 40 N 0.00 3.91 0.00 3.41 -2.24 -1.26 -4.75 114.28 113.35 1ozi n THR 40 Ca 0.00 -3.89 0.00 0.00 -2.27 0.00 0.00 64.05 57.89 1ozi n THR 40 Cb 0.00 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 65.77 1ozi n THR 40 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ozi n SER 41 N 6.19 0.00 -4.59 3.42 3.41 -1.26 -4.61 113.62 116.18 1ozi n SER 41 Ca 0.46 0.14 -0.52 0.00 -0.26 0.00 0.00 58.87 58.69 1ozi n SER 41 Cb 0.41 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1ozi n SER 41 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ozi n VAL 42 N -0.72 0.00 -0.46 -3.33 0.24 -1.26 -4.84 118.33 107.96 1ozi n VAL 42 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ozi n VAL 42 Cb 0.00 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 1ozi n VAL 42 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1ozi n ARG 43 N 2.54 0.11 -0.11 7.34 1.85 -1.25 -4.60 116.66 122.55 1ozi n ARG 43 Ca 0.18 -0.01 -0.19 0.00 -1.00 0.00 0.00 57.85 56.83 1ozi n ARG 43 Cb 0.19 -0.26 -0.08 0.00 -1.05 0.00 0.00 32.46 31.27 1ozi n ARG 43 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1ozi n HIS 44 N -0.02 0.56 -2.23 2.89 -0.00 -1.26 -4.27 115.22 110.90 1ozi n HIS 44 Ca 0.00 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1ozi n HIS 44 Cb 0.12 -0.92 0.00 0.00 -0.12 0.00 0.00 29.99 29.06 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 1.42 3.77 0.00 1.57 0.00 -1.26 0.39 105.19 111.07 1ozi n GLY 45 Ca -0.31 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 5.00 0.87 3.65 -0.02 0.00 -1.26 -4.49 105.19 108.94 1ozi n GLY 46 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1ozi n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozi s ILE 47 N -1.98 4.94 -0.09 -0.61 -1.09 -1.11 -2.56 121.20 118.70 1ozi s ILE 47 Ca 0.00 1.36 0.04 0.00 -2.23 0.00 0.00 60.65 59.82 1ozi s ILE 47 Cb 0.00 -4.02 -0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1ozi s ILE 47 CO 0.00 0.03 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.20 1ozi s TYR 48 N 2.35 2.37 -0.28 3.97 2.02 0.38 0.40 117.35 128.55 1ozi s TYR 48 Ca 0.32 -0.91 -0.29 0.00 -0.37 0.00 0.00 57.07 55.82 1ozi s TYR 48 Cb -0.16 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 1ozi s TYR 48 CO 0.09 -0.36 1.63 0.08 -1.57 0.00 0.00 175.55 175.43 1ozi s VAL 49 N 0.28 3.67 -0.03 0.71 1.01 -0.42 0.12 120.40 125.74 1ozi s VAL 49 Ca -0.15 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1ozi s VAL 49 Cb -0.17 -3.77 -0.28 0.00 0.00 0.00 0.00 36.38 32.17 1ozi s VAL 49 CO 0.07 -0.39 0.72 0.50 0.00 0.00 0.00 175.10 176.00 1ozi h LYS 50 N 11.31 0.26 -2.88 2.72 3.64 -0.43 0.39 116.57 131.58 1ozi h LYS 50 Ca -0.33 -0.45 -0.11 0.00 -1.27 0.00 0.00 60.65 58.49 1ozi h LYS 50 Cb 1.15 0.17 -0.20 0.00 -0.41 0.00 0.00 32.23 32.93 1ozi h LYS 50 CO 1.02 1.12 -0.22 0.00 -2.27 0.00 0.00 179.45 179.11 1ozi s ALA 51 N -2.60 -0.93 -0.17 5.00 0.00 -0.79 -4.67 121.76 117.61 1ozi s ALA 51 Ca -0.12 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 1ozi s ALA 51 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1ozi s ALA 51 CO 0.84 -0.26 -0.05 0.42 0.00 0.00 0.00 175.76 176.70 1ozi s ILE 52 N -1.13 3.63 0.15 0.00 -1.09 -1.26 -0.68 121.20 120.81 1ozi s ILE 52 Ca -0.12 -0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 57.60 1ozi s ILE 52 Cb -0.04 -2.59 -0.07 0.00 -1.58 0.00 0.00 42.46 38.17 1ozi s ILE 52 CO 0.05 0.48 0.80 -0.63 -1.23 0.00 0.00 174.94 174.41 1ozi s ILE 53 N 0.61 4.42 0.09 2.92 -1.09 -0.25 -4.92 121.20 122.97 1ozi s ILE 53 Ca -0.04 1.75 0.29 0.00 -2.23 0.00 0.00 60.65 60.42 1ozi s ILE 53 Cb -0.15 -4.16 0.29 0.00 -1.58 0.00 0.00 42.46 36.86 1ozi s ILE 53 CO 0.03 0.48 1.90 -0.65 -1.23 0.00 0.00 174.94 175.46 1ozi h PRO 54 N 4.64 0.00 -0.44 2.79 0.11 -1.99 0.15 132.00 137.26 1ozi h PRO 54 Ca -0.46 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.33 1ozi h PRO 54 Cb 1.21 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 1ozi h PRO 54 CO 0.67 0.00 -0.71 1.17 -0.21 0.00 0.00 178.00 178.92 1ozi n LYS 55 N -2.53 2.70 -4.74 1.05 3.00 -1.26 -4.81 118.16 111.57 1ozi n LYS 55 Ca -0.02 -3.77 -0.28 0.00 -0.00 0.00 0.00 58.31 54.24 1ozi n LYS 55 Cb 0.05 -1.95 -0.17 0.00 0.00 0.00 0.00 35.03 32.96 1ozi n LYS 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ozi s GLY 56 N -3.43 1.04 0.47 3.14 0.00 0.51 -3.64 107.32 105.41 1ozi s GLY 56 Ca 0.45 -0.69 0.31 0.00 0.00 0.00 0.00 44.72 44.79 1ozi s GLY 56 CO -0.01 0.01 1.72 0.00 0.00 0.00 0.00 173.10 174.82 1ozi h ALA 57 N 7.03 2.82 -0.61 3.20 0.00 -1.65 0.23 119.26 130.27 1ozi h ALA 57 Ca -0.27 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ozi h ALA 57 Cb 1.20 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1ozi h ALA 57 CO 0.48 -1.28 0.39 0.00 0.00 0.00 0.00 179.25 178.84 1ozi h ALA 58 N 1.48 1.55 0.10 0.00 0.00 -1.62 0.47 119.26 121.25 1ozi h ALA 58 Ca 0.68 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 55.17 1ozi h ALA 58 Cb 2.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1ozi h ALA 58 CO -0.21 0.41 -2.08 -1.91 0.00 0.00 0.00 179.25 175.46 1ozi n GLU 59 N -4.44 0.74 -0.03 0.00 2.13 0.51 -1.46 120.64 118.09 1ozi n GLU 59 Ca 0.06 0.24 -0.15 0.00 0.66 0.00 0.00 57.16 57.98 1ozi n GLU 59 Cb 0.05 -1.68 -0.11 0.00 0.27 0.00 0.00 31.44 29.97 1ozi n GLU 59 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1ozi h SER 60 N 0.06 0.14 0.19 4.31 0.02 -0.66 -3.24 113.55 114.38 1ozi h SER 60 Ca -0.45 -0.78 -0.22 0.00 -0.84 0.00 0.00 61.79 59.50 1ozi h SER 60 Cb 2.01 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1ozi h SER 60 CO 0.06 0.90 -0.88 -0.78 -1.14 0.00 0.00 176.83 174.99 1ozi h ASP 61 N -0.60 0.64 -1.30 3.07 1.82 -0.28 -3.49 116.42 116.29 1ozi h ASP 61 Ca -0.02 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1ozi h ASP 61 Cb 0.92 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1ozi h ASP 61 CO 0.03 1.26 0.00 0.61 -1.61 0.00 0.00 179.24 179.53 1ozi n GLY 62 N 0.83 0.46 0.71 -0.78 0.00 -1.04 -5.04 105.19 100.33 1ozi n GLY 62 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.48 0.00 -2.72 1.61 5.12 -0.53 -5.02 116.66 114.63 1ozi n ARG 63 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 1ozi n ARG 63 Cb 0.22 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.46 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 -0.43 4.13 0.32 0.55 1.01 -1.24 -5.04 121.20 120.50 1ozi s ILE 64 Ca 0.00 1.57 0.09 0.00 0.00 0.00 0.00 60.65 62.31 1ozi s ILE 64 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1ozi s ILE 64 CO 0.00 -0.05 -0.02 -1.00 0.00 0.00 0.00 174.94 173.87 1ozi s HIS 65 N -1.82 2.53 0.09 3.97 3.76 -1.26 -4.46 115.29 118.11 1ozi s HIS 65 Ca 0.56 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.79 1ozi s HIS 65 Cb -0.16 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.07 1ozi s HIS 65 CO 0.21 0.53 0.88 -1.59 -0.85 0.00 0.00 174.74 173.92 1ozi s LYS 66 N -3.68 4.63 0.00 1.40 -2.85 -1.26 -2.97 119.74 115.01 1ozi s LYS 66 Ca 0.34 1.30 0.00 0.00 -1.00 0.00 0.00 55.97 56.61 1ozi s LYS 66 Cb -0.01 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.39 1ozi s LYS 66 CO 0.19 0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.31 1ozi n GLY 67 N 2.25 0.87 3.76 0.59 0.00 0.14 -4.72 105.19 108.09 1ozi n GLY 67 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.90 5.83 -0.21 1.61 1.01 -1.16 -3.62 116.67 118.24 1ozi s ASP 68 Ca 0.00 2.47 -0.14 0.00 0.71 0.00 0.00 52.55 55.59 1ozi s ASP 68 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1ozi s ASP 68 CO 0.00 -1.16 0.31 -0.60 0.21 0.00 0.00 175.17 173.93 1ozi s ARG 69 N -2.78 4.14 -0.21 8.23 3.52 -0.65 -1.30 118.95 129.91 1ozi s ARG 69 Ca 0.67 0.03 -0.05 0.00 -0.13 0.00 0.00 55.73 56.24 1ozi s ARG 69 Cb -0.33 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.51 1ozi s ARG 69 CO 0.39 0.01 -0.00 0.08 -0.81 0.00 0.00 175.30 174.98 1ozi s VAL 70 N 1.17 3.88 -0.21 7.11 1.01 0.16 -0.01 120.40 133.52 1ozi s VAL 70 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1ozi s VAL 70 Cb -0.14 -2.76 -0.20 0.00 0.00 0.00 0.00 36.38 33.27 1ozi s VAL 70 CO 0.06 0.42 -0.03 0.18 0.00 0.00 0.00 175.10 175.73 1ozi n LEU 71 N 4.42 2.86 -3.85 3.92 4.77 0.87 -2.75 117.00 127.25 1ozi n LEU 71 Ca -0.17 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.73 1ozi n LEU 71 Cb 0.52 -0.98 0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1ozi n LEU 71 CO 0.31 0.91 0.68 0.00 -1.33 0.00 0.00 177.39 177.96 1ozi s ALA 72 N -2.53 -1.19 -0.33 -1.18 0.00 -0.51 -2.00 121.76 114.02 1ozi s ALA 72 Ca -0.31 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1ozi s ALA 72 Cb 0.08 0.72 0.08 0.00 0.00 0.00 0.00 23.12 24.00 1ozi s ALA 72 CO 0.66 -1.03 0.05 0.08 0.00 0.00 0.00 175.76 175.52 1ozi s VAL 73 N -2.27 2.82 -1.20 0.00 1.01 0.12 0.40 120.40 121.28 1ozi s VAL 73 Ca 0.19 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.31 1ozi s VAL 73 Cb -0.04 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1ozi s VAL 73 CO 0.08 -0.35 0.37 -0.46 0.00 0.00 0.00 175.10 174.74 1ozi n ASN 74 N 4.52 -3.75 0.00 3.32 0.23 0.10 0.24 115.26 119.92 1ozi n ASN 74 Ca -0.07 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.75 1ozi n ASN 74 Cb 0.42 -3.12 0.00 0.00 -2.08 0.00 0.00 39.78 35.00 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 -1.08 3.41 3.55 4.83 0.00 -1.26 -5.02 105.19 109.63 1ozi n GLY 75 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.00 3.50 0.17 1.61 1.01 0.14 -4.93 120.40 118.90 1ozi s VAL 76 Ca 0.00 0.31 -0.32 0.00 0.00 0.00 0.00 61.98 61.97 1ozi s VAL 76 Cb 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.98 1ozi s VAL 76 CO 0.00 -1.21 1.71 -1.54 0.00 0.00 0.00 175.10 174.06 1ozi n SER 77 N 11.40 3.74 -1.74 3.32 3.41 -1.26 -0.70 113.62 131.78 1ozi n SER 77 Ca 0.14 1.05 0.03 0.00 -0.26 0.00 0.00 58.87 59.83 1ozi n SER 77 Cb 0.51 -1.52 0.32 0.00 -0.26 0.00 0.00 64.21 63.26 1ozi n SER 77 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ozi n LEU 78 N 4.26 5.22 -4.69 1.04 4.77 -0.84 -4.90 117.00 121.85 1ozi n LEU 78 Ca 0.17 -2.67 -0.42 0.00 -0.03 0.00 0.00 56.01 53.06 1ozi n LEU 78 Cb 0.33 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1ozi n LEU 78 CO 0.65 0.62 0.96 -1.83 -1.33 0.00 0.00 177.39 176.46 1ozi s GLU 79 N -2.55 4.36 0.00 3.23 -1.05 -1.26 -2.24 118.70 119.18 1ozi s GLU 79 Ca 0.47 1.74 0.00 0.00 -0.15 0.00 0.00 54.97 57.03 1ozi s GLU 79 Cb 0.36 -3.51 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 1ozi s GLU 79 CO 0.13 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.33 1ozi n GLY 80 N 3.38 0.71 3.66 -3.83 0.00 0.16 -4.91 105.19 104.35 1ozi n GLY 80 Ca 0.11 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 3.20 0.57 4.61 0.00 -0.95 -5.07 121.76 122.12 1ozi s ALA 81 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1ozi s ALA 81 Cb 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 23.12 21.84 1ozi s ALA 81 CO 0.00 0.61 0.79 -0.08 0.00 0.00 0.00 175.76 177.08 1ozi s THR 82 N -0.97 2.48 0.26 0.00 -1.32 -1.26 -4.88 115.64 109.94 1ozi s THR 82 Ca 0.16 -0.81 -0.02 0.00 -1.21 0.00 0.00 61.69 59.81 1ozi s THR 82 Cb -0.11 -2.66 0.24 0.00 -1.51 0.00 0.00 72.50 68.45 1ozi s THR 82 CO 0.06 0.00 1.74 1.12 -2.21 0.00 0.00 174.62 175.33 1ozi h HIS 83 N 0.08 0.64 -0.25 9.09 2.07 -1.91 0.55 115.15 125.42 1ozi h HIS 83 Ca -0.37 0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 57.13 1ozi h HIS 83 Cb 1.28 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 31.09 1ozi h HIS 83 CO 0.25 0.10 -0.08 1.57 -3.07 0.00 0.00 177.93 176.70 1ozi h LYS 84 N 0.51 0.39 -0.17 5.12 2.10 -1.94 -1.29 116.57 121.30 1ozi h LYS 84 Ca 0.45 -0.09 -0.17 0.00 -2.00 0.00 0.00 60.65 58.84 1ozi h LYS 84 Cb 0.70 -0.05 0.01 0.00 -0.90 0.00 0.00 32.23 31.98 1ozi h LYS 84 CO -0.40 0.49 -0.55 1.96 -2.00 0.00 0.00 179.45 178.95 1ozi h GLN 85 N 0.37 0.66 0.40 0.07 1.08 -1.29 0.15 115.11 116.56 1ozi h GLN 85 Ca 0.08 -0.49 -0.02 0.00 -1.45 0.00 0.00 58.65 56.76 1ozi h GLN 85 Cb 0.38 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1ozi h GLN 85 CO 0.02 1.11 -0.19 0.00 -0.95 0.00 0.00 178.83 178.82 1ozi h ALA 86 N 0.55 -0.54 -0.24 3.87 0.00 -1.17 -2.17 119.26 119.56 1ozi h ALA 86 Ca -0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ozi h ALA 86 Cb 1.17 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1ozi h ALA 86 CO 0.12 -0.80 -0.24 0.28 0.00 0.00 0.00 179.25 178.60 1ozi h VAL 87 N -0.54 1.26 0.00 0.00 2.07 -1.15 -1.57 116.25 116.32 1ozi h VAL 87 Ca -0.06 -1.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 1ozi h VAL 87 Cb 0.41 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1ozi h VAL 87 CO 0.09 0.39 -0.43 -0.33 0.02 0.00 0.00 177.57 177.31 1ozi h GLU 88 N 0.41 0.00 -0.16 1.57 4.39 -0.67 0.34 114.58 120.45 1ozi h GLU 88 Ca 0.06 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1ozi h GLU 88 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1ozi h GLU 88 CO 0.05 0.43 -0.49 1.15 -1.16 0.00 0.00 179.01 178.99 1ozi h THR 89 N 0.00 1.33 -0.07 1.13 2.02 -0.75 -0.98 112.91 115.59 1ozi h THR 89 Ca -0.00 -1.71 -0.14 0.00 0.77 0.00 0.00 66.41 65.33 1ozi h THR 89 Cb 0.95 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1ozi h THR 89 CO 0.06 0.52 -0.59 -0.07 0.37 0.00 0.00 175.52 175.81 1ozi h LEU 90 N 0.34 0.24 -0.45 2.58 3.38 -0.28 -0.15 115.31 120.97 1ozi h LEU 90 Ca 0.02 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1ozi h LEU 90 Cb 0.98 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1ozi h LEU 90 CO 0.09 0.77 -0.31 -0.09 0.09 0.00 0.00 178.44 178.99 1ozi h ARG 91 N 0.16 0.96 -0.53 1.13 2.43 -0.20 -3.15 114.38 115.18 1ozi h ARG 91 Ca -0.00 -0.46 -0.12 0.00 -0.81 0.00 0.00 59.98 58.59 1ozi h ARG 91 Cb 1.08 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1ozi h ARG 91 CO 0.09 1.13 -0.13 -0.91 -1.51 0.00 0.00 179.97 178.64 1ozi h ASN 92 N 0.80 1.03 -4.04 -3.80 2.35 -0.68 -3.43 115.58 107.81 1ozi h ASN 92 Ca 0.08 -0.36 -0.53 0.00 -0.55 0.00 0.00 56.30 54.95 1ozi h ASN 92 Cb 0.90 -0.28 0.10 0.00 0.05 0.00 0.00 38.32 39.09 1ozi h ASN 92 CO 0.08 1.15 0.52 0.42 -1.65 0.00 0.00 177.43 177.96 1ozi s THR 93 N -4.81 2.61 0.00 2.81 -4.23 -0.11 -5.03 115.64 106.88 1ozi s THR 93 Ca -0.12 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1ozi s THR 93 Cb 0.13 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1ozi s THR 93 CO 0.86 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 1ozi n GLY 94 N 0.56 -0.49 0.09 3.99 0.00 -1.26 -4.91 105.19 103.17 1ozi n GLY 94 Ca 0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.10 -4.64 1.61 4.15 -1.94 -3.42 115.11 110.78 1ozi h GLN 95 Ca 0.00 0.01 -0.70 0.00 0.77 0.00 0.00 58.65 58.73 1ozi h GLN 95 Cb 0.00 0.02 -0.23 0.00 0.21 0.00 0.00 27.48 27.48 1ozi h GLN 95 CO 0.00 0.46 -0.51 0.08 -1.93 0.00 0.00 178.83 176.93 1ozi s VAL 96 N -3.22 4.69 -0.20 2.39 1.01 -1.26 0.14 120.40 123.94 1ozi s VAL 96 Ca -0.14 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1ozi s VAL 96 Cb -0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1ozi s VAL 96 CO 0.55 -0.15 0.12 -0.69 0.00 0.00 0.00 175.10 174.93 1ozi s VAL 97 N 1.59 5.28 -0.28 2.92 1.01 0.52 -4.91 120.40 126.54 1ozi s VAL 97 Ca 0.03 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1ozi s VAL 97 Cb -0.18 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1ozi s VAL 97 CO 0.07 0.44 0.48 -1.00 0.00 0.00 0.00 175.10 175.08 1ozi s HIS 98 N 0.42 3.25 -0.03 5.22 3.76 -1.26 -0.47 115.29 126.18 1ozi s HIS 98 Ca 0.07 0.49 0.07 0.00 -0.15 0.00 0.00 55.06 55.54 1ozi s HIS 98 Cb -0.11 -2.71 -0.01 0.00 1.11 0.00 0.00 32.58 30.85 1ozi s HIS 98 CO -0.01 -0.31 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.17 1ozi s LEU 99 N 2.26 2.04 -0.43 0.89 2.96 0.59 0.02 118.68 127.01 1ozi s LEU 99 Ca 0.19 -0.44 -0.17 0.00 -0.22 0.00 0.00 54.13 53.49 1ozi s LEU 99 Cb -0.16 -1.22 0.03 0.00 0.50 0.00 0.00 46.19 45.34 1ozi s LEU 99 CO 0.10 0.26 0.43 -0.22 -1.32 0.00 0.00 176.35 175.60 1ozi s LEU 100 N -0.40 4.96 0.40 -0.68 0.20 0.16 -0.56 118.68 122.75 1ozi s LEU 100 Ca 0.05 -0.76 0.08 0.00 0.69 0.00 0.00 54.13 54.18 1ozi s LEU 100 Cb -0.10 -2.35 -0.07 0.00 -0.43 0.00 0.00 46.19 43.24 1ozi s LEU 100 CO 0.00 -0.59 0.04 -0.76 -0.29 0.00 0.00 176.35 174.75 1ozi s LEU 101 N 2.08 2.92 -0.02 -0.68 1.02 0.55 -0.09 118.68 124.46 1ozi s LEU 101 Ca 0.11 -1.26 0.03 0.00 0.02 0.00 0.00 54.13 53.03 1ozi s LEU 101 Cb -0.18 -1.07 -0.00 0.00 0.02 0.00 0.00 46.19 44.96 1ozi s LEU 101 CO 0.13 -0.43 -0.10 -0.70 0.02 0.00 0.00 176.35 175.27 1ozi s GLU 102 N -3.74 0.95 -0.19 1.70 2.12 0.99 -0.08 118.70 120.45 1ozi s GLU 102 Ca 0.36 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 1ozi s GLU 102 Cb 0.07 -0.90 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 1ozi s GLU 102 CO 0.19 0.18 1.92 0.21 -0.54 0.00 0.00 175.26 177.21 1ozi s LYS 103 N -0.03 3.56 0.00 4.30 2.47 0.20 -1.64 119.74 128.60 1ozi s LYS 103 Ca 0.00 1.93 0.04 0.00 -1.56 0.00 0.00 55.97 56.38 1ozi s LYS 103 Cb -0.07 -4.20 0.08 0.00 -1.46 0.00 0.00 37.83 32.19 1ozi s LYS 103 CO 0.00 -1.60 0.94 0.41 0.16 0.00 0.00 175.35 175.27 1ozi n GLY 104 N 5.14 1.66 3.71 5.54 0.00 -1.26 -0.08 105.19 119.90 1ozi n GLY 104 Ca 0.23 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.04 1.89 -3.90 1.61 6.02 -1.24 -4.48 117.38 117.24 1ozi n GLN 105 Ca 0.03 0.68 -0.28 0.00 -0.01 0.00 0.00 57.00 57.42 1ozi n GLN 105 Cb 0.24 -2.45 -0.12 0.00 1.02 0.00 0.00 30.24 28.93 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 -1.23 2.79 -2.40 5.09 1.01 -1.26 -4.69 120.40 119.71 1ozi s VAL 106 Ca 0.64 -4.03 0.29 0.00 0.00 0.00 0.00 61.98 58.87 1ozi s VAL 106 Cb -0.48 -2.85 0.62 0.00 0.00 0.00 0.00 36.38 33.67 1ozi s VAL 106 CO 0.56 -0.96 1.84 -0.81 0.00 0.00 0.00 175.10 175.73