#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 2.99 0.00 1.97 0.04 -1.26 -1.28 135.00 137.46 1ozi s PRO 10 Ca 0.00 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1ozi s PRO 10 Cb 0.00 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1ozi s PRO 10 CO 0.00 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.14 1ozi n GLY 11 N 5.49 0.48 3.84 0.56 0.00 -1.13 -4.93 105.19 109.50 1ozi n GLY 11 Ca 0.16 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.33 6.87 -0.37 1.61 -1.08 -0.40 -4.71 116.67 116.25 1ozi s ASP 12 Ca 0.00 1.10 -0.13 0.00 -0.52 0.00 0.00 52.55 53.01 1ozi s ASP 12 Cb 0.00 -2.30 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 1ozi s ASP 12 CO 0.00 0.15 0.24 0.42 0.52 0.00 0.00 175.17 176.50 1ozi s THR 13 N -1.37 5.01 0.24 1.71 -4.23 -1.25 -2.28 115.64 113.47 1ozi s THR 13 Ca 0.35 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1ozi s THR 13 Cb -0.16 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1ozi s THR 13 CO 0.19 -0.16 0.16 0.72 -0.54 0.00 0.00 174.62 174.98 1ozi s PHE 14 N 1.65 1.36 -0.28 3.99 -0.12 0.40 -4.94 117.98 120.04 1ozi s PHE 14 Ca 0.04 -1.41 -0.09 0.00 -0.05 0.00 0.00 56.93 55.42 1ozi s PHE 14 Cb -0.18 -0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 41.53 1ozi s PHE 14 CO 0.09 -0.64 0.12 -1.21 -0.05 0.00 0.00 175.22 173.53 1ozi s GLU 15 N -3.98 3.53 -0.30 1.99 8.01 -1.26 0.05 118.70 126.75 1ozi s GLU 15 Ca 0.39 -0.58 -0.22 0.00 0.01 0.00 0.00 54.97 54.57 1ozi s GLU 15 Cb 0.06 -3.48 -0.00 0.00 -4.31 0.00 0.00 34.13 26.40 1ozi s GLU 15 CO 0.16 -0.30 0.73 0.14 0.01 0.00 0.00 175.26 176.00 1ozi s VAL 16 N 1.63 4.85 -0.71 2.63 -7.23 0.12 -4.82 120.40 116.87 1ozi s VAL 16 Ca 0.06 1.09 -0.23 0.00 -1.81 0.00 0.00 61.98 61.09 1ozi s VAL 16 Cb -0.16 -4.08 0.07 0.00 0.56 0.00 0.00 36.38 32.76 1ozi s VAL 16 CO 0.06 -0.19 1.04 -1.61 -0.31 0.00 0.00 175.10 174.09 1ozi s GLU 17 N 2.81 3.19 -0.22 4.82 2.02 -1.25 -1.25 118.70 128.81 1ozi s GLU 17 Ca 0.30 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 1ozi s GLU 17 Cb -0.15 -4.33 -0.01 0.00 0.10 0.00 0.00 34.13 29.74 1ozi s GLU 17 CO 0.12 -1.88 -0.03 -0.51 0.02 0.00 0.00 175.26 172.98 1ozi s LEU 18 N 4.21 2.97 0.02 1.80 2.01 -0.02 -4.92 118.68 124.75 1ozi s LEU 18 Ca 0.26 -0.36 -0.14 0.00 0.01 0.00 0.00 54.13 53.90 1ozi s LEU 18 Cb -0.14 -1.76 -0.06 0.00 0.01 0.00 0.00 46.19 44.24 1ozi s LEU 18 CO 0.08 -0.01 0.42 0.00 1.01 0.00 0.00 176.35 177.85 1ozi s ALA 19 N 1.44 3.70 -0.86 4.21 0.00 -1.26 -0.63 121.76 128.35 1ozi s ALA 19 Ca 0.05 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.54 1ozi s ALA 19 Cb -0.14 -2.38 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 1ozi s ALA 19 CO -0.02 0.49 2.02 0.15 0.00 0.00 0.00 175.76 178.40 1ozi s LYS 20 N -1.20 2.39 0.49 0.00 3.01 0.72 -4.73 119.74 120.43 1ozi s LYS 20 Ca 0.25 -0.08 0.16 0.00 -1.01 0.00 0.00 55.97 55.30 1ozi s LYS 20 Cb -0.16 -4.96 1.20 0.00 -1.01 0.00 0.00 37.83 32.89 1ozi s LYS 20 CO 0.14 -3.51 2.07 0.00 0.51 0.00 0.00 175.35 174.56 1ozi h THR 21 N 7.31 0.94 0.00 2.17 1.03 -1.89 -3.45 112.91 119.02 1ozi h THR 21 Ca 0.05 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1ozi h THR 21 Cb 1.02 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 1ozi h THR 21 CO 1.18 0.03 0.00 -0.67 -0.01 0.00 0.00 175.52 176.04 1ozi n ASP 22 N -4.48 -0.69 -3.74 0.00 2.03 -1.26 -5.04 116.55 103.36 1ozi n ASP 22 Ca 0.03 0.16 -0.29 0.00 0.52 0.00 0.00 54.79 55.21 1ozi n ASP 22 Cb 0.25 1.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.53 1ozi n ASP 22 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ozi s GLY 23 N -1.18 2.02 0.00 0.27 0.00 -1.26 -5.06 107.32 102.11 1ozi s GLY 23 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 44.72 41.75 1ozi s GLY 23 CO 0.00 1.44 0.00 -1.26 0.00 0.00 0.00 173.10 173.28 1ozi n SER 24 N 2.99 -0.13 -0.20 1.64 2.88 -1.26 -4.08 113.62 115.45 1ozi n SER 24 Ca 0.14 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.82 1ozi n SER 24 Cb 0.36 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.33 1ozi n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ozi n LEU 25 N 0.00 0.80 0.00 2.46 4.77 -1.26 -3.72 117.00 120.04 1ozi n LEU 25 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1ozi n LEU 25 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1ozi n LEU 25 CO 0.00 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1ozi n GLY 26 N 1.29 0.54 3.22 -0.72 0.00 -1.26 -2.14 105.19 106.13 1ozi n GLY 26 Ca 0.14 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 2.06 -0.41 -0.61 -4.36 -1.26 0.45 121.20 115.07 1ozi s ILE 27 Ca 0.00 -1.02 -0.17 0.00 -0.26 0.00 0.00 60.65 59.19 1ozi s ILE 27 Cb 0.00 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.95 1ozi s ILE 27 CO 0.00 0.56 0.46 -0.44 0.24 0.00 0.00 174.94 175.76 1ozi s SER 28 N 0.30 6.21 0.13 4.36 0.01 -0.20 -4.97 113.70 119.55 1ozi s SER 28 Ca -0.18 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.55 1ozi s SER 28 Cb -0.18 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1ozi s SER 28 CO 0.09 -0.57 0.15 0.68 0.41 0.00 0.00 173.24 173.99 1ozi s VAL 29 N 2.21 4.68 0.07 3.43 -7.23 -1.26 0.52 120.40 122.82 1ozi s VAL 29 Ca 0.13 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 1ozi s VAL 29 Cb -0.17 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 1ozi s VAL 29 CO 0.14 -0.03 -0.05 0.28 -0.31 0.00 0.00 175.10 175.13 1ozi s THR 30 N -1.64 0.44 -0.22 5.32 -1.32 0.73 -4.79 115.64 114.17 1ozi s THR 30 Ca 0.31 -1.69 -0.10 0.00 -1.21 0.00 0.00 61.69 59.00 1ozi s THR 30 Cb -0.11 -1.36 -0.05 0.00 -1.51 0.00 0.00 72.50 69.47 1ozi s THR 30 CO 0.24 -0.83 0.15 0.54 -2.21 0.00 0.00 174.62 172.52 1ozi s VAL 31 N -3.26 5.38 -0.67 5.08 0.11 -1.26 -0.25 120.40 125.53 1ozi s VAL 31 Ca 0.05 0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 59.21 1ozi s VAL 31 Cb 0.03 -3.49 0.17 0.00 -1.53 0.00 0.00 36.38 31.56 1ozi s VAL 31 CO -0.06 0.39 0.55 -0.76 -3.33 0.00 0.00 175.10 171.89 1ozi s LEU 32 N 0.72 5.98 -0.17 2.54 1.02 0.16 -4.74 118.68 124.19 1ozi s LEU 32 Ca 0.08 -2.55 0.18 0.00 0.02 0.00 0.00 54.13 51.86 1ozi s LEU 32 Cb -0.12 -2.04 -0.26 0.00 0.02 0.00 0.00 46.19 43.79 1ozi s LEU 32 CO 0.01 -0.54 0.12 0.33 0.02 0.00 0.00 176.35 176.30 1ozi n PHE 33 N 4.05 0.00 0.00 0.29 7.35 -1.26 -4.74 117.46 123.15 1ozi n PHE 33 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1ozi n PHE 33 Cb 0.42 -0.90 0.00 0.00 0.35 0.00 0.00 39.48 39.35 1ozi n PHE 33 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1ozi n ASP 34 N -2.66 0.00 -4.87 -2.13 2.03 -1.16 -4.51 116.55 103.25 1ozi n ASP 34 Ca -0.28 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.67 1ozi n ASP 34 Cb 1.06 0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 41.47 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 -1.18 3.69 0.00 -0.67 2.20 -1.26 -2.58 119.74 119.95 1ozi s LYS 35 Ca 0.00 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1ozi s LYS 35 Cb 0.00 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1ozi s LYS 35 CO 0.00 0.66 0.00 0.41 -0.36 0.00 0.00 175.35 176.06 1ozi n GLY 36 N 1.37 1.16 0.00 5.54 0.00 -1.26 -4.48 105.19 107.52 1ozi n GLY 36 Ca -0.12 0.00 0.00 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 -0.56 3.11 -0.02 0.00 -1.26 -4.98 105.19 101.48 1ozi n GLY 37 Ca 0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1ozi n GLY 37 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ozi n VAL 38 N 3.89 3.89 -2.04 1.61 3.14 -1.26 -4.71 118.33 122.85 1ozi n VAL 38 Ca 0.00 -3.85 -0.27 0.00 -2.96 0.00 0.00 64.34 57.26 1ozi n VAL 38 Cb 0.00 -2.46 0.02 0.00 -1.06 0.00 0.00 33.84 30.34 1ozi n VAL 38 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ozi n ASN 39 N 6.24 5.30 0.06 6.55 4.13 -1.06 -4.61 115.26 131.87 1ozi n ASN 39 Ca 0.46 -3.75 -0.07 0.00 1.68 0.00 0.00 54.58 52.90 1ozi n ASN 39 Cb 0.41 -0.47 0.07 0.00 -1.54 0.00 0.00 39.78 38.25 1ozi n ASN 39 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1ozi h THR 40 N 2.13 1.39 -3.98 3.41 2.02 -1.79 -3.08 112.91 113.00 1ozi h THR 40 Ca 0.39 -2.07 -0.46 0.00 0.77 0.00 0.00 66.41 65.04 1ozi h THR 40 Cb 1.26 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.71 1ozi h THR 40 CO 0.90 0.62 0.35 -0.94 0.37 0.00 0.00 175.52 176.82 1ozi s SER 41 N -6.93 7.08 -0.42 4.18 1.04 -1.26 -4.86 113.70 112.53 1ozi s SER 41 Ca -0.05 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.21 1ozi s SER 41 Cb 0.11 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.84 1ozi s SER 41 CO 0.82 -0.26 0.45 -0.69 0.98 0.00 0.00 173.24 174.54 1ozi s VAL 42 N -1.89 -0.31 -1.26 5.02 1.01 -1.26 -4.97 120.40 116.74 1ozi s VAL 42 Ca 0.57 -1.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1ozi s VAL 42 Cb -0.14 -0.66 0.18 0.00 0.00 0.00 0.00 36.38 35.76 1ozi s VAL 42 CO 0.19 -0.62 1.84 0.54 0.00 0.00 0.00 175.10 177.05 1ozi n ARG 43 N 3.56 3.77 -0.79 2.72 3.00 -1.26 -4.91 116.66 122.76 1ozi n ARG 43 Ca 0.18 -3.66 0.10 0.00 -0.01 0.00 0.00 57.85 54.46 1ozi n ARG 43 Cb 0.49 -2.86 -0.05 0.00 0.00 0.00 0.00 32.46 30.04 1ozi n ARG 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1ozi n HIS 44 N 3.44 -2.11 -0.87 -1.55 8.25 -1.26 -5.05 115.22 116.08 1ozi n HIS 44 Ca 0.39 1.15 0.00 0.00 -0.26 0.00 0.00 57.72 59.00 1ozi n HIS 44 Cb 0.35 -1.92 0.00 0.00 1.12 0.00 0.00 29.99 29.55 1ozi n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ozi n GLY 45 N -3.34 0.01 0.19 -1.41 0.00 -1.26 -4.98 105.19 94.40 1ozi n GLY 45 Ca -0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1ozi n GLY 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ozi h GLY 46 N 0.00 0.59 -5.13 -0.02 0.00 -1.55 -3.44 103.07 93.52 1ozi h GLY 46 Ca 0.00 -0.84 -0.68 0.00 0.00 0.00 0.00 47.33 45.80 1ozi h GLY 46 CO 0.00 0.75 -0.69 -0.42 0.00 0.00 0.00 176.54 176.18 1ozi s ILE 47 N -3.66 3.76 0.06 2.60 -1.09 -1.19 -0.66 121.20 121.02 1ozi s ILE 47 Ca -0.07 -0.46 0.05 0.00 -2.23 0.00 0.00 60.65 57.95 1ozi s ILE 47 Cb 0.10 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1ozi s ILE 47 CO 0.86 0.60 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.71 1ozi s TYR 48 N -0.80 1.31 -0.32 3.97 1.51 0.65 -0.08 117.35 123.61 1ozi s TYR 48 Ca 0.12 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.49 1ozi s TYR 48 Cb -0.11 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1ozi s TYR 48 CO 0.02 0.07 1.01 0.08 -1.11 0.00 0.00 175.55 175.61 1ozi s VAL 49 N -1.09 4.58 0.05 0.71 1.01 -0.74 -0.19 120.40 124.73 1ozi s VAL 49 Ca 0.01 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.47 1ozi s VAL 49 Cb -0.09 -4.35 -0.31 0.00 0.00 0.00 0.00 36.38 31.62 1ozi s VAL 49 CO 0.02 -0.42 1.08 0.50 0.00 0.00 0.00 175.10 176.27 1ozi h LYS 50 N 8.09 0.51 -2.78 2.72 3.64 -0.23 0.38 116.57 128.90 1ozi h LYS 50 Ca -0.21 -0.79 -0.01 0.00 -1.27 0.00 0.00 60.65 58.37 1ozi h LYS 50 Cb 1.07 0.28 -0.13 0.00 -0.41 0.00 0.00 32.23 33.03 1ozi h LYS 50 CO 1.00 1.36 0.24 0.00 -2.27 0.00 0.00 179.45 179.78 1ozi s ALA 51 N -2.76 -1.65 -0.22 5.00 0.00 -0.89 -4.61 121.76 116.64 1ozi s ALA 51 Ca -0.08 0.67 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1ozi s ALA 51 Cb 0.05 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1ozi s ALA 51 CO 0.93 -0.70 0.00 0.42 0.00 0.00 0.00 175.76 176.41 1ozi s ILE 52 N -3.30 3.85 0.07 0.00 -1.09 -1.26 -1.03 121.20 118.44 1ozi s ILE 52 Ca -0.00 -0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 57.78 1ozi s ILE 52 Cb -0.01 -2.76 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 1ozi s ILE 52 CO -0.09 0.40 1.11 -0.63 -1.23 0.00 0.00 174.94 174.50 1ozi s ILE 53 N 1.33 4.25 -0.60 2.92 -1.09 0.17 -4.92 121.20 123.27 1ozi s ILE 53 Ca 0.04 1.68 -0.11 0.00 -2.23 0.00 0.00 60.65 60.03 1ozi s ILE 53 Cb -0.15 -4.08 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 1ozi s ILE 53 CO 0.01 0.17 1.78 -2.65 -1.23 0.00 0.00 174.94 173.02 1ozi n PRO 54 N 3.57 1.30 0.06 2.79 -0.02 -1.26 -3.72 135.00 137.72 1ozi n PRO 54 Ca 0.07 -1.31 0.00 0.00 -2.02 0.00 0.00 63.50 60.23 1ozi n PRO 54 Cb 0.48 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1ozi n PRO 54 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ozi n LYS 55 N 5.45 0.00 -3.69 -0.52 0.00 -1.26 -5.16 118.16 112.98 1ozi n LYS 55 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.68 1ozi n LYS 55 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 35.03 34.99 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 2.37 -0.57 6.42 3.14 0.00 -1.24 -5.00 105.19 110.31 1ozi n GLY 56 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.32 4.61 0.00 -1.26 -3.94 120.51 119.60 1ozi n ALA 57 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1ozi n ALA 57 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.44 1.11 0.07 0.00 0.00 -1.73 0.28 119.26 118.56 1ozi h ALA 58 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.50 1ozi h ALA 58 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1ozi h ALA 58 CO 0.00 0.60 -1.58 1.49 0.00 0.00 0.00 179.25 179.76 1ozi h GLU 59 N 1.21 0.15 -0.07 0.00 4.81 -1.77 -1.60 114.58 117.31 1ozi h GLU 59 Ca 0.31 -0.25 -0.24 0.00 -0.13 0.00 0.00 59.36 59.05 1ozi h GLU 59 Cb -0.00 0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ozi h GLU 59 CO -0.05 0.93 -0.91 0.77 -0.73 0.00 0.00 179.01 179.02 1ozi h SER 60 N 0.04 0.87 0.75 1.04 0.02 -1.71 -3.04 113.55 111.51 1ozi h SER 60 Ca -0.25 -0.63 -0.22 0.00 -0.84 0.00 0.00 61.79 59.84 1ozi h SER 60 Cb 1.99 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1ozi h SER 60 CO 0.12 1.43 -1.02 -0.78 -1.14 0.00 0.00 176.83 175.45 1ozi h ASP 61 N 0.44 0.20 -2.86 3.07 3.58 -0.59 -3.48 116.42 116.79 1ozi h ASP 61 Ca -0.09 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1ozi h ASP 61 Cb 1.54 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.53 1ozi h ASP 61 CO 0.18 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.24 1ozi n GLY 62 N 1.21 0.42 1.12 -0.78 0.00 -0.68 -5.04 105.19 101.45 1ozi n GLY 62 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ozi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi n ARG 63 N -1.23 0.00 -3.70 1.61 5.12 -0.73 -5.03 116.66 112.70 1ozi n ARG 63 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 1ozi n ARG 63 Cb 0.48 -0.42 -0.05 0.00 -1.16 0.00 0.00 32.46 31.31 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 -1.91 5.22 0.01 0.55 1.01 -1.23 -5.08 121.20 119.76 1ozi s ILE 64 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1ozi s ILE 64 Cb 0.00 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1ozi s ILE 64 CO 0.00 0.23 0.01 1.57 0.00 0.00 0.00 174.94 176.75 1ozi n HIS 65 N 0.69 -0.02 -2.79 3.97 -0.00 -1.26 -4.38 115.22 111.42 1ozi n HIS 65 Ca -0.07 -0.10 -0.40 0.00 0.46 0.00 0.00 57.72 57.61 1ozi n HIS 65 Cb 0.52 0.01 -0.06 0.00 -0.12 0.00 0.00 29.99 30.34 1ozi n HIS 65 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1ozi s LYS 66 N -2.05 4.79 0.00 1.57 -2.85 -1.26 -3.45 119.74 116.49 1ozi s LYS 66 Ca 0.01 1.42 0.00 0.00 -1.00 0.00 0.00 55.97 56.40 1ozi s LYS 66 Cb 0.00 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.48 1ozi s LYS 66 CO 0.01 0.50 0.00 0.41 0.10 0.00 0.00 175.35 176.36 1ozi n GLY 67 N 1.60 0.18 3.77 0.59 0.00 0.13 -4.98 105.19 106.48 1ozi n GLY 67 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.02 6.32 -0.24 1.61 1.01 -1.22 -4.04 116.67 118.09 1ozi s ASP 68 Ca 0.00 2.75 -0.18 0.00 0.71 0.00 0.00 52.55 55.83 1ozi s ASP 68 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1ozi s ASP 68 CO 0.00 -0.85 0.50 -0.60 0.21 0.00 0.00 175.17 174.43 1ozi s ARG 69 N -2.18 4.12 -0.39 8.23 3.52 -0.53 -1.79 118.95 129.92 1ozi s ARG 69 Ca 0.56 0.33 -0.14 0.00 -0.13 0.00 0.00 55.73 56.35 1ozi s ARG 69 Cb -0.40 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.38 1ozi s ARG 69 CO 0.53 -0.25 0.28 0.08 -0.81 0.00 0.00 175.30 175.12 1ozi s VAL 70 N 1.99 5.25 -0.15 7.11 1.01 0.89 -0.96 120.40 135.54 1ozi s VAL 70 Ca 0.22 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1ozi s VAL 70 Cb -0.15 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 1ozi s VAL 70 CO 0.09 -0.22 0.25 0.18 0.00 0.00 0.00 175.10 175.41 1ozi n LEU 71 N 5.14 2.57 -3.95 3.92 4.77 -0.49 -3.17 117.00 125.79 1ozi n LEU 71 Ca -0.12 0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1ozi n LEU 71 Cb 0.48 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 1ozi n LEU 71 CO 0.40 0.79 0.18 0.00 -1.33 0.00 0.00 177.39 177.43 1ozi s ALA 72 N -2.53 -0.36 -0.29 -1.18 0.00 -0.70 -0.39 121.76 116.31 1ozi s ALA 72 Ca -0.25 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1ozi s ALA 72 Cb 0.07 1.01 0.08 0.00 0.00 0.00 0.00 23.12 24.28 1ozi s ALA 72 CO 0.72 -0.83 0.01 0.08 0.00 0.00 0.00 175.76 175.73 1ozi s VAL 73 N -3.99 1.75 -1.54 0.00 1.01 0.11 0.70 120.40 118.44 1ozi s VAL 73 Ca 0.19 -1.72 -0.08 0.00 0.00 0.00 0.00 61.98 60.38 1ozi s VAL 73 Cb -0.01 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1ozi s VAL 73 CO 0.06 -0.39 0.54 -0.46 0.00 0.00 0.00 175.10 174.86 1ozi n ASN 74 N 4.52 -1.50 0.00 3.32 6.94 0.11 -0.80 115.26 127.85 1ozi n ASN 74 Ca -0.04 -1.03 0.00 0.00 -0.02 0.00 0.00 54.58 53.49 1ozi n ASN 74 Cb 0.43 -2.84 0.00 0.00 -2.36 0.00 0.00 39.78 35.01 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ozi n GLY 75 N -1.79 2.51 3.51 4.83 0.00 -1.26 -5.03 105.19 107.95 1ozi n GLY 75 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.54 4.74 0.19 1.61 1.01 0.02 -5.01 120.40 120.42 1ozi s VAL 76 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1ozi s VAL 76 Cb 0.00 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1ozi s VAL 76 CO 0.00 -0.73 1.00 -0.94 0.00 0.00 0.00 175.10 174.43 1ozi s SER 77 N 2.28 7.47 -0.68 3.32 1.04 -1.26 0.05 113.70 125.92 1ozi s SER 77 Ca 0.23 1.97 -0.19 0.00 0.48 0.00 0.00 55.95 58.44 1ozi s SER 77 Cb -0.15 -2.60 0.11 0.00 0.10 0.00 0.00 66.02 63.48 1ozi s SER 77 CO 0.18 -0.04 0.83 -0.76 0.98 0.00 0.00 173.24 174.43 1ozi s LEU 78 N -0.63 5.27 -0.13 2.42 2.01 0.47 -4.80 118.68 123.29 1ozi s LEU 78 Ca 0.45 -1.56 -0.04 0.00 0.01 0.00 0.00 54.13 53.00 1ozi s LEU 78 Cb -0.27 -2.33 -0.07 0.00 0.01 0.00 0.00 46.19 43.54 1ozi s LEU 78 CO 0.33 -1.12 -0.15 -0.62 1.01 0.00 0.00 176.35 175.80 1ozi n GLU 79 N 6.43 0.29 -2.65 1.70 1.02 -1.26 -3.33 120.64 122.83 1ozi n GLU 79 Ca -0.01 0.10 -0.09 0.00 -0.02 0.00 0.00 57.16 57.15 1ozi n GLU 79 Cb 0.44 -1.08 0.03 0.00 -0.02 0.00 0.00 31.44 30.82 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 2.47 2.52 3.27 0.62 0.00 -1.26 -4.77 105.19 108.04 1ozi n GLY 80 Ca -0.24 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.38 0.53 -2.51 4.61 0.00 -1.26 -5.13 120.51 116.37 1ozi n ALA 81 Ca 0.14 -1.70 -0.25 0.00 0.00 0.00 0.00 53.44 51.64 1ozi n ALA 81 Cb 0.81 0.36 -0.09 0.00 0.00 0.00 0.00 19.45 20.53 1ozi n ALA 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ozi s THR 82 N -2.34 2.34 0.28 0.00 -4.23 -1.26 -4.95 115.64 105.47 1ozi s THR 82 Ca 0.54 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1ozi s THR 82 Cb -0.04 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.14 1ozi s THR 82 CO 0.35 -0.07 1.80 1.12 -0.54 0.00 0.00 174.62 177.29 1ozi h HIS 83 N 1.63 1.01 -0.49 3.99 2.07 -1.87 -1.04 115.15 120.44 1ozi h HIS 83 Ca -0.43 0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.05 1ozi h HIS 83 Cb 1.25 -0.31 -0.02 0.00 2.57 0.00 0.00 27.41 30.90 1ozi h HIS 83 CO 0.68 0.34 0.01 -0.22 -3.07 0.00 0.00 177.93 175.67 1ozi h LYS 84 N 0.84 0.86 -0.15 5.12 3.64 -1.95 -2.35 116.57 122.58 1ozi h LYS 84 Ca 0.49 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1ozi h LYS 84 Cb 0.58 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ozi h LYS 84 CO -0.30 0.89 -0.25 1.96 -2.27 0.00 0.00 179.45 179.48 1ozi h GLN 85 N 0.72 0.27 0.04 1.90 4.20 -1.75 0.36 115.11 120.85 1ozi h GLN 85 Ca 0.14 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ozi h GLN 85 Cb 0.49 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1ozi h GLN 85 CO 0.02 0.50 -0.02 0.00 -0.67 0.00 0.00 178.83 178.66 1ozi h ALA 86 N 1.51 -0.06 -0.04 3.87 0.00 -1.02 -0.72 119.26 122.79 1ozi h ALA 86 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ozi h ALA 86 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ozi h ALA 86 CO 0.04 -0.53 -0.21 0.28 0.00 0.00 0.00 179.25 178.83 1ozi h VAL 87 N -0.06 1.17 -0.49 0.00 2.07 -0.83 -1.52 116.25 116.59 1ozi h VAL 87 Ca -0.00 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1ozi h VAL 87 Cb 0.05 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1ozi h VAL 87 CO 0.00 0.24 0.05 -0.33 0.02 0.00 0.00 177.57 177.55 1ozi h GLU 88 N 0.06 0.78 -0.14 1.57 4.39 0.25 0.43 114.58 121.93 1ozi h GLU 88 Ca 0.01 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 1ozi h GLU 88 Cb 0.41 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1ozi h GLU 88 CO 0.03 0.76 -0.44 1.15 -1.16 0.00 0.00 179.01 179.35 1ozi h THR 89 N 0.74 1.32 0.00 1.13 2.02 -0.18 0.98 112.91 118.92 1ozi h THR 89 Ca 0.15 -1.61 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 1ozi h THR 89 Cb 0.38 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1ozi h THR 89 CO 0.01 0.49 -0.30 -0.07 0.37 0.00 0.00 175.52 176.02 1ozi h LEU 90 N 0.27 0.00 0.02 2.58 3.38 -0.45 -2.02 115.31 119.10 1ozi h LEU 90 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1ozi h LEU 90 Cb 0.89 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1ozi h LEU 90 CO 0.07 0.30 -1.19 -0.09 0.09 0.00 0.00 178.44 177.62 1ozi h ARG 91 N 0.00 0.05 -0.54 1.13 2.43 0.28 -3.25 114.38 114.48 1ozi h ARG 91 Ca -0.00 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1ozi h ARG 91 Cb 1.06 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1ozi h ARG 91 CO 0.04 0.95 0.28 -0.97 -1.51 0.00 0.00 179.97 178.76 1ozi h ASN 92 N 0.01 0.70 -4.18 -3.80 -1.24 -0.51 -3.43 115.58 103.13 1ozi h ASN 92 Ca -0.09 -0.11 -0.50 0.00 0.71 0.00 0.00 56.30 56.31 1ozi h ASN 92 Cb 1.85 -0.18 0.09 0.00 0.73 0.00 0.00 38.32 40.81 1ozi h ASN 92 CO 0.13 0.61 0.38 0.42 -1.29 0.00 0.00 177.43 177.68 1ozi s THR 93 N -5.78 3.34 0.00 -3.57 -4.23 -0.79 -5.03 115.64 99.59 1ozi s THR 93 Ca -0.13 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1ozi s THR 93 Cb 0.12 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1ozi s THR 93 CO 0.77 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1ozi n GLY 94 N -0.51 1.14 0.14 3.99 0.00 -1.26 -4.90 105.19 103.79 1ozi n GLY 94 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 0.36 -5.07 1.61 5.75 -1.94 -3.45 115.11 112.37 1ozi h GLN 95 Ca 0.00 -0.62 -0.64 0.00 -0.15 0.00 0.00 58.65 57.24 1ozi h GLN 95 Cb 0.00 0.23 -0.34 0.00 1.07 0.00 0.00 27.48 28.44 1ozi h GLN 95 CO 0.00 1.29 -0.86 0.08 -2.65 0.00 0.00 178.83 176.69 1ozi s VAL 96 N -2.58 1.82 0.15 2.39 1.01 -1.26 -0.20 120.40 121.74 1ozi s VAL 96 Ca -0.17 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.03 1ozi s VAL 96 Cb 0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1ozi s VAL 96 CO 0.84 0.51 -0.12 -0.69 0.00 0.00 0.00 175.10 175.63 1ozi s VAL 97 N 0.65 3.11 -0.60 2.92 1.01 0.20 -4.95 120.40 122.74 1ozi s VAL 97 Ca -0.13 -1.55 0.06 0.00 0.00 0.00 0.00 61.98 60.37 1ozi s VAL 97 Cb -0.16 -2.49 0.24 0.00 0.00 0.00 0.00 36.38 33.96 1ozi s VAL 97 CO 0.03 -0.01 0.67 1.41 0.00 0.00 0.00 175.10 177.20 1ozi n HIS 98 N 0.38 2.81 -2.02 5.22 8.25 -1.24 -0.84 115.22 127.79 1ozi n HIS 98 Ca -0.13 -4.05 -0.39 0.00 -0.26 0.00 0.00 57.72 52.89 1ozi n HIS 98 Cb 0.54 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1ozi n HIS 98 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ozi s LEU 99 N -2.08 4.10 -0.47 2.41 1.02 -0.38 0.07 118.68 123.35 1ozi s LEU 99 Ca 0.37 2.63 -0.20 0.00 0.02 0.00 0.00 54.13 56.95 1ozi s LEU 99 Cb 0.13 -4.04 0.04 0.00 0.02 0.00 0.00 46.19 42.34 1ozi s LEU 99 CO -0.05 -1.02 0.63 -0.22 0.02 0.00 0.00 176.35 175.70 1ozi s LEU 100 N -2.77 4.70 0.09 1.79 1.98 0.22 0.13 118.68 124.82 1ozi s LEU 100 Ca 0.61 -0.61 0.09 0.00 -2.89 0.00 0.00 54.13 51.33 1ozi s LEU 100 Cb -0.37 -2.58 -0.03 0.00 0.66 0.00 0.00 46.19 43.86 1ozi s LEU 100 CO 0.47 -0.83 -0.24 -0.76 -1.89 0.00 0.00 176.35 173.10 1ozi s LEU 101 N 2.73 2.25 -0.13 -0.68 1.02 0.11 -1.40 118.68 122.58 1ozi s LEU 101 Ca 0.19 -0.65 0.02 0.00 0.02 0.00 0.00 54.13 53.71 1ozi s LEU 101 Cb -0.16 -1.07 -0.00 0.00 0.02 0.00 0.00 46.19 44.97 1ozi s LEU 101 CO 0.16 0.15 -0.20 -0.70 0.02 0.00 0.00 176.35 175.78 1ozi s GLU 102 N -1.67 3.14 -0.22 1.70 2.12 -0.14 -0.45 118.70 123.18 1ozi s GLU 102 Ca 0.10 -0.81 -0.34 0.00 0.36 0.00 0.00 54.97 54.28 1ozi s GLU 102 Cb -0.10 -2.47 -0.10 0.00 0.26 0.00 0.00 34.13 31.72 1ozi s GLU 102 CO 0.04 0.09 2.06 1.17 -0.54 0.00 0.00 175.26 178.08 1ozi n LYS 103 N 3.81 1.69 -2.87 4.30 0.00 -0.97 -1.46 118.16 122.66 1ozi n LYS 103 Ca -0.19 0.54 -0.44 0.00 0.00 0.00 0.00 58.31 58.23 1ozi n LYS 103 Cb 0.52 -2.68 -0.02 0.00 0.00 0.00 0.00 35.03 32.86 1ozi n LYS 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ozi s GLY 104 N 6.11 2.00 0.08 3.14 0.00 -1.26 -2.82 107.32 114.58 1ozi s GLY 104 Ca 1.01 -2.93 -0.26 0.00 0.00 0.00 0.00 44.72 42.54 1ozi s GLY 104 CO 0.48 2.14 1.42 1.46 0.00 0.00 0.00 173.10 178.60 1ozi h GLN 105 N 8.28 -0.49 -3.69 2.90 4.20 -1.89 -3.28 115.11 121.15 1ozi h GLN 105 Ca 0.23 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ozi h GLN 105 Cb 0.96 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1ozi h GLN 105 CO 1.21 -0.33 -0.83 0.28 -0.67 0.00 0.00 178.83 178.50 1ozi n VAL 106 N -4.73 -7.94 0.86 -0.54 0.31 -1.26 -4.95 118.33 100.08 1ozi n VAL 106 Ca -0.06 2.57 0.07 0.00 -0.01 0.00 0.00 64.34 66.92 1ozi n VAL 106 Cb 0.30 -3.92 0.41 0.00 -0.91 0.00 0.00 33.84 29.72 1ozi n VAL 106 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86