#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 4.28 0.00 -1.58 0.02 -1.26 -2.19 135.00 134.27 1ozi s PRO 10 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1ozi s PRO 10 Cb 0.00 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1ozi s PRO 10 CO 0.00 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1ozi n GLY 11 N 3.65 0.67 3.86 0.52 0.00 0.86 -4.92 105.19 109.82 1ozi n GLY 11 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.22 6.71 -0.32 1.61 -1.08 -0.93 -4.72 116.67 115.72 1ozi s ASP 12 Ca 0.00 0.91 -0.09 0.00 -0.52 0.00 0.00 52.55 52.85 1ozi s ASP 12 Cb 0.00 -2.22 -0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1ozi s ASP 12 CO 0.00 0.12 0.15 0.42 0.52 0.00 0.00 175.17 176.38 1ozi s THR 13 N -1.46 4.49 0.02 1.71 -4.23 -1.25 -1.42 115.64 113.50 1ozi s THR 13 Ca 0.36 -0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 60.25 1ozi s THR 13 Cb -0.14 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.39 1ozi s THR 13 CO 0.19 0.04 0.22 0.72 -0.54 0.00 0.00 174.62 175.25 1ozi s PHE 14 N 1.59 -0.01 -0.47 3.99 -0.71 -0.59 -4.96 117.98 116.82 1ozi s PHE 14 Ca 0.04 -0.12 -0.21 0.00 -1.04 0.00 0.00 56.93 55.60 1ozi s PHE 14 Cb -0.17 0.01 0.03 0.00 -1.21 0.00 0.00 43.02 41.68 1ozi s PHE 14 CO 0.06 -0.41 0.69 -1.21 -1.34 0.00 0.00 175.22 173.01 1ozi s GLU 15 N -2.13 3.27 0.19 1.99 8.01 -1.26 -0.95 118.70 127.81 1ozi s GLU 15 Ca -0.08 -0.43 -0.30 0.00 0.01 0.00 0.00 54.97 54.16 1ozi s GLU 15 Cb -0.03 -3.99 -0.08 0.00 -4.31 0.00 0.00 34.13 25.72 1ozi s GLU 15 CO -0.01 -1.12 1.08 0.08 0.01 0.00 0.00 175.26 175.29 1ozi s VAL 16 N 2.97 3.89 -0.66 2.63 1.01 0.13 -4.77 120.40 125.61 1ozi s VAL 16 Ca 0.23 1.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 1ozi s VAL 16 Cb -0.15 -4.07 0.15 0.00 0.00 0.00 0.00 36.38 32.32 1ozi s VAL 16 CO 0.18 0.31 0.65 -1.61 0.00 0.00 0.00 175.10 174.63 1ozi s GLU 17 N -0.51 3.22 -0.21 2.72 2.02 -1.26 -0.31 118.70 124.36 1ozi s GLU 17 Ca 0.48 -1.87 -0.00 0.00 0.02 0.00 0.00 54.97 53.60 1ozi s GLU 17 Cb -0.29 -4.36 0.02 0.00 0.10 0.00 0.00 34.13 29.60 1ozi s GLU 17 CO 0.35 -1.38 -0.13 -1.17 0.02 0.00 0.00 175.26 172.95 1ozi s LEU 18 N 1.42 2.66 0.44 1.80 1.98 0.69 -4.95 118.68 122.72 1ozi s LEU 18 Ca 0.11 -0.76 0.08 0.00 -2.89 0.00 0.00 54.13 50.66 1ozi s LEU 18 Cb -0.22 -1.57 0.00 0.00 0.66 0.00 0.00 46.19 45.06 1ozi s LEU 18 CO -0.01 -0.06 0.48 0.00 -1.89 0.00 0.00 176.35 174.87 1ozi s ALA 19 N 1.30 4.30 -0.31 5.97 0.00 -1.26 -0.67 121.76 131.08 1ozi s ALA 19 Ca 0.02 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 49.90 1ozi s ALA 19 Cb -0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1ozi s ALA 19 CO -0.09 -0.30 1.61 0.15 0.00 0.00 0.00 175.76 177.13 1ozi s LYS 20 N -4.25 3.58 -0.42 0.00 3.01 0.18 -4.40 119.74 117.43 1ozi s LYS 20 Ca 0.51 1.36 0.01 0.00 -1.01 0.00 0.00 55.97 56.84 1ozi s LYS 20 Cb -0.06 -4.08 0.11 0.00 -1.01 0.00 0.00 37.83 32.80 1ozi s LYS 20 CO 0.30 -1.56 0.17 0.99 0.51 0.00 0.00 175.35 175.76 1ozi s THR 21 N 5.82 2.78 0.00 2.17 2.01 -0.93 -4.75 115.64 122.74 1ozi s THR 21 Ca 0.71 -2.48 0.00 0.00 0.31 0.00 0.00 61.69 60.23 1ozi s THR 21 Cb -0.21 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1ozi s THR 21 CO 0.31 -0.69 0.00 -0.67 -0.69 0.00 0.00 174.62 172.89 1ozi n ASP 22 N 4.09 0.00 -1.86 3.53 2.03 -1.26 -3.42 116.55 119.66 1ozi n ASP 22 Ca 0.03 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.13 1ozi n ASP 22 Cb 0.40 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.92 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 5.45 7.00 0.27 0.00 -1.26 -5.07 105.19 111.58 1ozi n GLY 23 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.98 -1.26 -4.57 1.61 3.41 -1.22 -4.41 113.62 106.19 1ozi n SER 24 Ca 0.49 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.68 1ozi n SER 24 Cb 1.02 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 1ozi n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ozi s LEU 25 N 0.00 3.39 -0.37 1.04 2.96 -1.26 -2.19 118.68 122.24 1ozi s LEU 25 Ca 0.00 0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 54.31 1ozi s LEU 25 Cb 0.00 -3.00 -0.15 0.00 0.50 0.00 0.00 46.19 43.53 1ozi s LEU 25 CO 0.00 -1.86 2.66 0.61 -1.32 0.00 0.00 176.35 176.44 1ozi n GLY 26 N 5.38 2.79 2.89 7.98 0.00 -1.26 -4.78 105.19 118.20 1ozi n GLY 26 Ca 0.16 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 0.33 -0.36 -0.61 -4.36 -1.26 -0.99 121.20 115.94 1ozi s ILE 27 Ca 0.49 -0.08 -0.11 0.00 -0.26 0.00 0.00 60.65 60.70 1ozi s ILE 27 Cb 0.20 -0.35 0.02 0.00 1.25 0.00 0.00 42.46 43.58 1ozi s ILE 27 CO -0.01 0.15 0.20 -0.55 0.24 0.00 0.00 174.94 174.96 1ozi s SER 28 N 0.54 5.72 0.13 4.36 0.15 0.79 -4.90 113.70 120.49 1ozi s SER 28 Ca -0.06 -0.89 0.05 0.00 0.70 0.00 0.00 55.95 55.75 1ozi s SER 28 Cb -0.09 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1ozi s SER 28 CO -0.01 -0.35 0.09 0.68 1.20 0.00 0.00 173.24 174.86 1ozi s VAL 29 N 1.57 4.38 0.23 4.45 -7.23 -1.26 0.03 120.40 122.57 1ozi s VAL 29 Ca 0.03 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1ozi s VAL 29 Cb -0.19 -3.18 -0.05 0.00 0.56 0.00 0.00 36.38 33.52 1ozi s VAL 29 CO 0.07 -0.01 0.06 0.28 -0.31 0.00 0.00 175.10 175.18 1ozi s THR 30 N -1.59 0.66 0.08 5.32 -1.32 0.21 -4.78 115.64 114.21 1ozi s THR 30 Ca 0.30 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.87 1ozi s THR 30 Cb -0.11 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 1ozi s THR 30 CO 0.22 -0.18 -0.25 0.54 -2.21 0.00 0.00 174.62 172.74 1ozi s VAL 31 N -3.68 2.08 -0.89 5.08 0.11 -1.26 0.40 120.40 122.23 1ozi s VAL 31 Ca 0.33 -1.52 -0.13 0.00 -2.93 0.00 0.00 61.98 57.72 1ozi s VAL 31 Cb 0.07 -1.82 0.23 0.00 -1.53 0.00 0.00 36.38 33.33 1ozi s VAL 31 CO 0.10 0.20 0.86 -0.76 -3.33 0.00 0.00 175.10 172.16 1ozi s LEU 32 N -1.61 6.61 -0.12 2.54 2.01 -1.24 -4.62 118.68 122.25 1ozi s LEU 32 Ca 0.11 -2.85 0.04 0.00 0.01 0.00 0.00 54.13 51.44 1ozi s LEU 32 Cb -0.10 -2.22 -0.10 0.00 0.01 0.00 0.00 46.19 43.78 1ozi s LEU 32 CO 0.04 -0.53 -0.06 0.33 1.01 0.00 0.00 176.35 177.13 1ozi n PHE 33 N 3.83 0.00 -2.53 0.29 7.35 -1.26 -4.61 117.46 120.53 1ozi n PHE 33 Ca 0.16 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.42 1ozi n PHE 33 Cb 0.46 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.77 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1ozi n ASP 34 N -2.70 4.99 0.00 -2.13 8.00 -1.26 -3.57 116.55 119.87 1ozi n ASP 34 Ca -0.21 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 52.28 1ozi n ASP 34 Cb 0.79 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 1ozi n ASP 34 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1ozi n LYS 35 N 5.34 0.00 0.00 -1.24 3.00 -1.26 -5.15 118.16 118.85 1ozi n LYS 35 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 1ozi n LYS 35 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.43 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 36 N -1.41 0.05 2.03 3.14 0.00 -1.23 -3.65 105.19 104.11 1ozi n GLY 36 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 3.94 2.99 -0.02 0.00 -1.26 -4.54 105.19 106.29 1ozi n GLY 37 Ca 0.00 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 1ozi n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozi s VAL 38 N -3.09 2.86 0.00 1.61 1.01 -1.24 -4.55 120.40 117.00 1ozi s VAL 38 Ca 0.55 -3.22 0.00 0.00 0.00 0.00 0.00 61.98 59.31 1ozi s VAL 38 Cb 0.45 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1ozi s VAL 38 CO 0.12 -0.82 0.00 -3.20 0.00 0.00 0.00 175.10 171.21 1ozi n ASN 39 N 3.21 0.00 -4.78 3.32 5.15 -1.26 -4.98 115.26 115.92 1ozi n ASN 39 Ca 0.06 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.72 1ozi n ASN 39 Cb 0.34 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.52 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 0.00 1.22 -0.02 -0.44 2.01 -1.26 -5.05 115.64 112.10 1ozi s THR 40 Ca 0.00 -1.93 -0.20 0.00 0.31 0.00 0.00 61.69 59.87 1ozi s THR 40 Cb 0.00 -2.15 -0.30 0.00 0.01 0.00 0.00 72.50 70.06 1ozi s THR 40 CO 0.00 0.00 0.97 0.28 -0.69 0.00 0.00 174.62 175.18 1ozi h SER 41 N 1.26 0.56 -4.10 3.53 0.02 -1.99 -3.45 113.55 109.38 1ozi h SER 41 Ca -0.43 -0.89 -0.50 0.00 -0.84 0.00 0.00 61.79 59.13 1ozi h SER 41 Cb 1.31 -0.18 0.05 0.00 0.14 0.00 0.00 62.40 63.72 1ozi h SER 41 CO 0.72 1.40 0.32 0.68 -1.14 0.00 0.00 176.83 178.81 1ozi s VAL 42 N -2.68 4.75 -0.34 2.27 -7.23 -1.26 -4.90 120.40 111.00 1ozi s VAL 42 Ca -0.13 0.73 0.10 0.00 -1.81 0.00 0.00 61.98 60.87 1ozi s VAL 42 Cb 0.02 -3.84 0.71 0.00 0.56 0.00 0.00 36.38 33.83 1ozi s VAL 42 CO 0.85 -0.99 1.72 -2.11 -0.31 0.00 0.00 175.10 174.26 1ozi n ARG 43 N -2.41 3.78 -1.78 4.82 1.85 -1.26 -4.80 116.66 116.86 1ozi n ARG 43 Ca 0.04 -2.86 -0.42 0.00 -1.00 0.00 0.00 57.85 53.62 1ozi n ARG 43 Cb 0.54 -2.17 -0.03 0.00 -1.05 0.00 0.00 32.46 29.76 1ozi n ARG 43 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ozi s HIS 44 N -2.76 1.43 -0.21 2.89 2.46 -1.26 -4.86 115.29 112.98 1ozi s HIS 44 Ca 0.51 0.72 -0.04 0.00 0.47 0.00 0.00 55.06 56.72 1ozi s HIS 44 Cb 0.40 -3.97 0.08 0.00 -0.13 0.00 0.00 32.58 28.97 1ozi s HIS 44 CO 0.13 -3.34 0.16 0.20 -2.47 0.00 0.00 174.74 169.42 1ozi s GLY 45 N 7.94 0.19 0.00 1.59 0.00 -1.26 -5.02 107.32 110.76 1ozi s GLY 45 Ca 0.90 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1ozi s GLY 45 CO 0.32 2.01 0.00 0.61 0.00 0.00 0.00 173.10 176.04 1ozi n GLY 46 N 5.29 0.70 3.82 0.20 0.00 -1.26 -1.43 105.19 112.52 1ozi n GLY 46 Ca -0.06 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 2.01 5.05 -0.23 -0.61 -1.09 -0.09 -3.59 121.20 122.66 1ozi s ILE 47 Ca 0.00 -0.15 -0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1ozi s ILE 47 Cb 0.00 -3.26 0.07 0.00 -1.58 0.00 0.00 42.46 37.69 1ozi s ILE 47 CO 0.00 0.46 0.02 -0.31 -1.23 0.00 0.00 174.94 173.89 1ozi s TYR 48 N -1.13 1.52 -0.29 3.97 1.51 0.16 0.91 117.35 124.00 1ozi s TYR 48 Ca 0.20 -1.26 -0.38 0.00 -1.01 0.00 0.00 57.07 54.62 1ozi s TYR 48 Cb -0.12 -1.30 -0.14 0.00 -0.11 0.00 0.00 41.96 40.29 1ozi s TYR 48 CO 0.10 -0.70 1.94 0.28 -1.11 0.00 0.00 175.55 176.06 1ozi n VAL 49 N 4.91 0.29 -0.03 0.71 0.31 -0.50 -0.62 118.33 123.40 1ozi n VAL 49 Ca -0.08 -0.13 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 1ozi n VAL 49 Cb 0.45 -1.43 -0.14 0.00 -0.91 0.00 0.00 33.84 31.81 1ozi n VAL 49 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ozi n LYS 50 N 6.65 0.67 -3.63 5.55 4.81 0.10 0.05 118.16 132.37 1ozi n LYS 50 Ca 0.32 0.24 -0.14 0.00 -0.87 0.00 0.00 58.31 57.86 1ozi n LYS 50 Cb 0.18 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.45 1ozi n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ozi s ALA 51 N -2.57 -1.20 -0.13 3.14 0.00 -0.64 -4.66 121.76 115.71 1ozi s ALA 51 Ca -0.12 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 1ozi s ALA 51 Cb 0.07 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1ozi s ALA 51 CO 0.80 -0.43 -0.07 0.42 0.00 0.00 0.00 175.76 176.48 1ozi s ILE 52 N -2.10 3.63 -0.18 0.00 -1.09 -1.26 -0.15 121.20 120.06 1ozi s ILE 52 Ca -0.07 -0.46 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 1ozi s ILE 52 Cb -0.01 -2.55 -0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1ozi s ILE 52 CO 0.01 0.52 1.06 -0.63 -1.23 0.00 0.00 174.94 174.67 1ozi s ILE 53 N 0.11 4.65 0.47 2.92 -1.09 -0.16 -4.93 121.20 123.17 1ozi s ILE 53 Ca -0.03 1.97 -0.24 0.00 -2.23 0.00 0.00 60.65 60.12 1ozi s ILE 53 Cb -0.14 -4.27 -0.07 0.00 -1.58 0.00 0.00 42.46 36.40 1ozi s ILE 53 CO 0.03 -0.11 1.37 -2.16 -1.23 0.00 0.00 174.94 172.84 1ozi s PRO 54 N 2.80 3.57 -1.73 2.79 0.04 -1.26 -2.39 135.00 138.82 1ozi s PRO 54 Ca 0.47 2.27 -0.00 0.00 0.04 0.00 0.00 61.00 63.78 1ozi s PRO 54 Cb -0.17 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1ozi s PRO 54 CO 0.11 -0.86 0.02 1.17 0.04 0.00 0.00 177.00 177.48 1ozi n LYS 55 N -0.42 -1.83 0.00 4.56 3.00 -1.26 -4.92 118.16 117.29 1ozi n LYS 55 Ca 0.07 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.36 1ozi n LYS 55 Cb 0.44 -5.65 0.00 0.00 0.00 0.00 0.00 35.03 29.82 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 56 N -1.02 0.68 1.62 3.14 0.00 -1.01 -4.29 105.19 104.31 1ozi n GLY 56 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.00 3.00 -0.23 4.61 0.00 -1.26 -4.38 120.51 119.25 1ozi n ALA 57 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ozi n ALA 57 Cb 0.00 0.05 0.41 0.00 0.00 0.00 0.00 19.45 19.91 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 1.91 0.05 0.00 0.00 -1.87 0.73 119.26 120.08 1ozi h ALA 58 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.54 1ozi h ALA 58 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1ozi h ALA 58 CO 0.00 -0.13 -2.23 -1.91 0.00 0.00 0.00 179.25 174.98 1ozi n GLU 59 N -4.53 0.69 0.06 0.00 2.13 -1.25 -0.35 120.64 117.38 1ozi n GLU 59 Ca 0.16 0.22 -0.20 0.00 0.66 0.00 0.00 57.16 58.00 1ozi n GLU 59 Cb 0.47 -1.61 -0.15 0.00 0.27 0.00 0.00 31.44 30.43 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 0.51 0.00 4.31 0.02 -1.70 -3.37 113.55 113.26 1ozi h SER 60 Ca -0.51 -0.94 -0.36 0.00 -0.84 0.00 0.00 61.79 59.14 1ozi h SER 60 Cb 1.92 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 64.23 1ozi h SER 60 CO -0.04 1.41 -2.35 -0.67 -1.14 0.00 0.00 176.83 174.04 1ozi n ASP 61 N -4.09 1.20 0.00 3.07 2.03 0.22 -4.99 116.55 113.99 1ozi n ASP 61 Ca -0.14 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1ozi n ASP 61 Cb 0.84 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.53 1ozi n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ozi n GLY 62 N 2.08 0.72 0.00 0.27 0.00 0.63 -4.99 105.19 103.89 1ozi n GLY 62 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 2.53 -2.25 1.61 1.74 0.52 -4.78 116.66 116.03 1ozi n ARG 63 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1ozi n ARG 63 Cb 0.00 -0.31 -0.03 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.31 3.03 0.26 0.55 1.01 -0.91 -4.96 121.20 119.87 1ozi s ILE 64 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 60.65 61.67 1ozi s ILE 64 Cb 0.00 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 1ozi s ILE 64 CO 0.00 0.19 0.14 0.00 0.00 0.00 0.00 174.94 175.27 1ozi n HIS 65 N 0.65 -0.18 -2.06 3.97 1.44 -1.26 -3.94 115.22 113.84 1ozi n HIS 65 Ca 0.01 -1.87 -0.42 0.00 -2.01 0.00 0.00 57.72 53.43 1ozi n HIS 65 Cb 0.44 0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 1ozi n HIS 65 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1ozi s LYS 66 N -3.02 4.20 0.00 -1.40 2.20 -1.26 -2.88 119.74 117.58 1ozi s LYS 66 Ca 0.20 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 1ozi s LYS 66 Cb 0.01 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1ozi s LYS 66 CO 0.14 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1ozi n GLY 67 N 3.99 0.73 3.72 5.54 0.00 0.11 -4.88 105.19 114.39 1ozi n GLY 67 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.87 6.60 -0.12 1.61 1.01 -1.14 -4.14 116.67 118.62 1ozi s ASP 68 Ca 0.00 2.62 -0.18 0.00 0.71 0.00 0.00 52.55 55.70 1ozi s ASP 68 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1ozi s ASP 68 CO 0.00 -0.80 0.46 -0.60 0.21 0.00 0.00 175.17 174.44 1ozi s ARG 69 N 0.85 4.33 -0.18 8.23 3.52 -0.93 -1.41 118.95 133.36 1ozi s ARG 69 Ca 0.68 0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 56.65 1ozi s ARG 69 Cb -0.43 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.50 1ozi s ARG 69 CO 0.34 0.16 -0.03 0.08 -0.81 0.00 0.00 175.30 175.04 1ozi s VAL 70 N 0.63 3.82 -0.14 7.11 1.01 0.26 0.06 120.40 133.14 1ozi s VAL 70 Ca 0.25 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1ozi s VAL 70 Cb -0.15 -2.70 -0.13 0.00 0.00 0.00 0.00 36.38 33.40 1ozi s VAL 70 CO 0.10 0.46 -0.05 0.18 0.00 0.00 0.00 175.10 175.79 1ozi n LEU 71 N 3.97 1.47 -3.74 3.92 4.77 -0.11 -0.91 117.00 126.36 1ozi n LEU 71 Ca -0.17 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 1ozi n LEU 71 Cb 0.52 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1ozi n LEU 71 CO 0.32 0.54 0.04 0.00 -1.33 0.00 0.00 177.39 176.96 1ozi s ALA 72 N -2.32 -0.66 -0.44 -1.18 0.00 -0.60 -0.94 121.76 115.63 1ozi s ALA 72 Ca -0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 1ozi s ALA 72 Cb 0.05 0.44 0.11 0.00 0.00 0.00 0.00 23.12 23.72 1ozi s ALA 72 CO 0.45 -0.49 0.27 0.08 0.00 0.00 0.00 175.76 176.07 1ozi s VAL 73 N -3.10 3.77 -1.59 0.00 1.01 0.11 0.56 120.40 121.16 1ozi s VAL 73 Ca -0.01 -1.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.05 1ozi s VAL 73 Cb 0.01 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1ozi s VAL 73 CO -0.07 -0.71 0.51 -3.20 0.00 0.00 0.00 175.10 171.64 1ozi n ASN 74 N 4.76 -6.05 0.00 3.32 5.15 0.17 -0.91 115.26 121.70 1ozi n ASN 74 Ca -0.06 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 1ozi n ASN 74 Cb 0.41 -4.91 0.00 0.00 -0.53 0.00 0.00 39.78 34.75 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 -1.44 3.15 3.55 8.20 0.00 -1.26 -5.03 105.19 112.36 1ozi n GLY 75 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.85 4.29 0.23 1.61 1.01 -0.09 -4.96 120.40 119.65 1ozi s VAL 76 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1ozi s VAL 76 Cb 0.00 -4.58 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 1ozi s VAL 76 CO 0.00 -1.14 1.09 -0.44 0.00 0.00 0.00 175.10 174.61 1ozi s SER 77 N 2.80 7.29 -0.52 3.32 0.01 -1.26 0.05 113.70 125.38 1ozi s SER 77 Ca 0.35 2.17 0.06 0.00 1.31 0.00 0.00 55.95 59.85 1ozi s SER 77 Cb -0.11 -2.62 0.22 0.00 0.21 0.00 0.00 66.02 63.72 1ozi s SER 77 CO 0.22 -0.15 0.54 0.00 0.41 0.00 0.00 173.24 174.25 1ozi n LEU 78 N 1.71 1.55 -4.43 2.44 -0.00 -0.12 -4.92 117.00 113.22 1ozi n LEU 78 Ca 0.00 -4.92 -0.44 0.00 -0.00 0.00 0.00 56.01 50.65 1ozi n LEU 78 Cb 0.45 -0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.84 1ozi n LEU 78 CO 0.54 1.96 0.74 -1.61 -0.00 0.00 0.00 177.39 179.02 1ozi s GLU 79 N -1.31 3.27 0.00 1.47 2.02 -1.26 -3.87 118.70 119.02 1ozi s GLU 79 Ca 0.34 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1ozi s GLU 79 Cb 0.09 -4.47 0.00 0.00 0.10 0.00 0.00 34.13 29.85 1ozi s GLU 79 CO -0.12 -1.73 0.00 0.41 0.02 0.00 0.00 175.26 173.85 1ozi n GLY 80 N 5.33 1.05 3.82 -1.39 0.00 -0.51 -4.90 105.19 108.58 1ozi n GLY 80 Ca 0.05 -0.13 -0.32 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 -2.17 3.69 0.47 4.61 0.00 -1.25 -5.05 121.76 122.06 1ozi s ALA 81 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 50.84 1ozi s ALA 81 Cb 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 1ozi s ALA 81 CO 0.00 0.73 1.18 -0.08 0.00 0.00 0.00 175.76 177.59 1ozi s THR 82 N -1.31 3.03 0.41 0.00 -1.32 -1.26 -4.73 115.64 110.47 1ozi s THR 82 Ca 0.27 0.76 0.18 0.00 -1.21 0.00 0.00 61.69 61.69 1ozi s THR 82 Cb -0.12 -3.38 0.39 0.00 -1.51 0.00 0.00 72.50 67.87 1ozi s THR 82 CO 0.19 -0.02 1.82 1.12 -2.21 0.00 0.00 174.62 175.52 1ozi h HIS 83 N 1.94 0.58 -0.76 9.09 2.07 -1.88 0.22 115.15 126.41 1ozi h HIS 83 Ca -0.49 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.01 1ozi h HIS 83 Cb 1.25 -0.18 -0.03 0.00 2.57 0.00 0.00 27.41 31.02 1ozi h HIS 83 CO 0.53 0.12 0.34 0.87 -3.07 0.00 0.00 177.93 176.72 1ozi h LYS 84 N 0.41 1.10 0.00 5.12 1.57 -1.90 -1.59 116.57 121.28 1ozi h LYS 84 Ca 0.52 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.95 1ozi h LYS 84 Cb 1.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1ozi h LYS 84 CO -0.22 0.86 -0.85 1.96 -0.57 0.00 0.00 179.45 180.64 1ozi h GLN 85 N 1.09 0.09 0.05 3.15 1.08 -1.00 -0.92 115.11 118.65 1ozi h GLN 85 Ca 0.26 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1ozi h GLN 85 Cb 0.14 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 1ozi h GLN 85 CO -0.03 0.88 -0.23 0.00 -0.95 0.00 0.00 178.83 178.50 1ozi h ALA 86 N 1.09 -0.34 0.00 3.87 0.00 -0.71 0.70 119.26 123.87 1ozi h ALA 86 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ozi h ALA 86 Cb 1.47 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1ozi h ALA 86 CO 0.12 -0.74 -0.20 0.28 0.00 0.00 0.00 179.25 178.71 1ozi h VAL 87 N -0.39 1.05 -0.10 0.00 2.07 -1.17 -1.47 116.25 116.24 1ozi h VAL 87 Ca 0.05 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.72 1ozi h VAL 87 Cb 0.44 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1ozi h VAL 87 CO -0.17 0.20 -0.53 -0.33 0.02 0.00 0.00 177.57 176.76 1ozi h GLU 88 N 0.00 0.29 -0.20 1.57 4.39 -0.44 0.74 114.58 120.92 1ozi h GLU 88 Ca -0.00 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.39 1ozi h GLU 88 Cb 0.38 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1ozi h GLU 88 CO 0.03 0.75 -0.43 1.15 -1.16 0.00 0.00 179.01 179.35 1ozi h THR 89 N 0.23 1.31 -0.24 1.13 2.02 0.12 -1.80 112.91 115.67 1ozi h THR 89 Ca 0.01 -1.60 -0.10 0.00 0.77 0.00 0.00 66.41 65.48 1ozi h THR 89 Cb 1.01 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1ozi h THR 89 CO 0.08 0.50 -0.28 -0.07 0.37 0.00 0.00 175.52 176.12 1ozi h LEU 90 N 0.40 0.48 -0.91 2.58 3.38 -0.77 0.12 115.31 120.59 1ozi h LEU 90 Ca 0.03 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1ozi h LEU 90 Cb 0.92 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ozi h LEU 90 CO 0.08 0.75 -0.20 -0.09 0.09 0.00 0.00 178.44 179.07 1ozi h ARG 91 N 0.41 0.57 -0.08 1.13 9.65 -0.38 -2.01 114.38 123.68 1ozi h ARG 91 Ca 0.06 -0.20 -0.17 0.00 -1.10 0.00 0.00 59.98 58.56 1ozi h ARG 91 Cb 0.70 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1ozi h ARG 91 CO 0.05 0.74 -0.69 -0.91 2.80 0.00 0.00 179.97 181.96 1ozi h ASN 92 N 0.51 0.42 0.04 -3.80 2.35 -0.56 -3.26 115.58 111.28 1ozi h ASN 92 Ca 0.08 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1ozi h ASN 92 Cb 0.63 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1ozi h ASN 92 CO 0.04 0.98 -0.11 0.74 -1.65 0.00 0.00 177.43 177.44 1ozi h THR 93 N 0.25 0.74 0.00 2.81 2.02 -0.31 -3.49 112.91 114.93 1ozi h THR 93 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1ozi h THR 93 Cb 1.25 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1ozi h THR 93 CO 0.12 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1ozi n GLY 94 N -1.23 0.42 0.17 2.16 0.00 -0.86 -4.76 105.19 101.09 1ozi n GLY 94 Ca -0.06 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 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 0.61 -4.94 1.61 4.15 -1.91 -3.42 115.11 111.21 1ozi h GLN 95 Ca 0.00 -0.81 -0.65 0.00 0.77 0.00 0.00 58.65 57.95 1ozi h GLN 95 Cb 0.00 0.27 -0.23 0.00 0.21 0.00 0.00 27.48 27.73 1ozi h GLN 95 CO 0.00 1.37 -0.63 0.08 -1.93 0.00 0.00 178.83 177.72 1ozi s VAL 96 N -2.99 4.22 -0.20 2.39 1.01 -1.26 0.50 120.40 124.08 1ozi s VAL 96 Ca -0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1ozi s VAL 96 Cb 0.06 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1ozi s VAL 96 CO 0.93 0.33 0.06 -0.69 0.00 0.00 0.00 175.10 175.74 1ozi s VAL 97 N 1.60 4.68 -0.27 2.92 1.01 0.15 -4.94 120.40 125.55 1ozi s VAL 97 Ca 0.06 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 1ozi s VAL 97 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1ozi s VAL 97 CO 0.03 0.43 0.30 -1.00 0.00 0.00 0.00 175.10 174.86 1ozi s HIS 98 N 0.68 3.24 -0.07 5.22 3.76 -1.26 -0.22 115.29 126.64 1ozi s HIS 98 Ca 0.03 0.30 0.05 0.00 -0.15 0.00 0.00 55.06 55.29 1ozi s HIS 98 Cb -0.13 -2.49 -0.00 0.00 1.11 0.00 0.00 32.58 31.06 1ozi s HIS 98 CO 0.02 -0.19 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.32 1ozi s LEU 99 N 1.91 2.02 -0.43 0.89 2.96 0.57 0.41 118.68 127.02 1ozi s LEU 99 Ca 0.12 -0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 53.35 1ozi s LEU 99 Cb -0.16 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.27 1ozi s LEU 99 CO 0.10 0.19 0.54 -0.22 -1.32 0.00 0.00 176.35 175.64 1ozi s LEU 100 N 0.08 4.66 0.42 -0.68 0.20 0.19 0.19 118.68 123.74 1ozi s LEU 100 Ca -0.09 -0.48 0.07 0.00 0.69 0.00 0.00 54.13 54.32 1ozi s LEU 100 Cb -0.15 -2.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.99 1ozi s LEU 100 CO 0.05 -0.67 0.15 -0.76 -0.29 0.00 0.00 176.35 174.83 1ozi s LEU 101 N 2.49 3.04 -0.28 -0.68 1.02 -0.12 -0.93 118.68 123.21 1ozi s LEU 101 Ca 0.18 -1.15 -0.00 0.00 0.02 0.00 0.00 54.13 53.17 1ozi s LEU 101 Cb -0.15 -1.31 0.09 0.00 0.02 0.00 0.00 46.19 44.83 1ozi s LEU 101 CO 0.16 -0.55 0.05 -0.70 0.02 0.00 0.00 176.35 175.34 1ozi s GLU 102 N -3.88 0.97 -0.22 1.70 2.12 0.11 -1.54 118.70 117.96 1ozi s GLU 102 Ca 0.39 -1.07 -0.39 0.00 0.36 0.00 0.00 54.97 54.26 1ozi s GLU 102 Cb 0.05 -2.27 -0.15 0.00 0.26 0.00 0.00 34.13 32.01 1ozi s GLU 102 CO 0.21 -0.86 1.71 1.17 -0.54 0.00 0.00 175.26 176.95 1ozi n LYS 103 N 4.77 1.24 -1.33 4.30 3.00 -0.51 -2.19 118.16 127.45 1ozi n LYS 103 Ca -0.04 0.46 -0.31 0.00 -0.00 0.00 0.00 58.31 58.41 1ozi n LYS 103 Cb 0.43 -2.15 0.10 0.00 0.00 0.00 0.00 35.03 33.42 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 4.01 5.58 3.91 3.14 0.00 -1.26 -0.10 105.19 120.47 1ozi n GLY 104 Ca 0.25 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.69 3.62 0.05 1.61 -2.07 -1.26 -4.24 119.66 113.67 1ozi s GLN 105 Ca 0.62 -0.06 -0.31 0.00 -1.82 0.00 0.00 55.36 53.80 1ozi s GLN 105 Cb 0.50 -2.70 -0.06 0.00 -1.09 0.00 0.00 33.01 29.66 1ozi s GLN 105 CO 0.02 0.27 1.23 0.14 -1.32 0.00 0.00 175.29 175.63 1ozi s VAL 106 N -2.01 3.95 -2.05 3.63 -7.23 -1.26 -4.67 120.40 110.76 1ozi s VAL 106 Ca 0.43 1.39 0.32 0.00 -1.81 0.00 0.00 61.98 62.30 1ozi s VAL 106 Cb -0.11 -3.89 0.88 0.00 0.56 0.00 0.00 36.38 33.82 1ozi s VAL 106 CO 0.29 0.09 2.19 -2.65 -0.31 0.00 0.00 175.10 174.71