#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 3.36 0.00 1.97 0.04 -1.26 -2.14 135.00 136.97 1ozi s PRO 10 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1ozi s PRO 10 Cb 0.00 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1ozi s PRO 10 CO 0.00 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.62 1ozi n GLY 11 N 5.42 1.13 3.87 0.56 0.00 -1.26 -5.07 105.19 109.84 1ozi n GLY 11 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.70 6.63 -0.47 1.61 2.15 -0.91 -4.81 116.67 120.17 1ozi s ASP 12 Ca 0.00 0.85 -0.23 0.00 0.43 0.00 0.00 52.55 53.61 1ozi s ASP 12 Cb 0.00 -2.20 0.03 0.00 -0.30 0.00 0.00 42.92 40.45 1ozi s ASP 12 CO 0.00 0.03 0.77 0.42 -0.17 0.00 0.00 175.17 176.22 1ozi s THR 13 N -1.65 4.66 -0.44 1.71 -4.23 -1.26 -1.79 115.64 112.64 1ozi s THR 13 Ca 0.42 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1ozi s THR 13 Cb -0.12 -4.33 0.11 0.00 1.34 0.00 0.00 72.50 69.49 1ozi s THR 13 CO 0.21 -0.76 0.27 0.72 -0.54 0.00 0.00 174.62 174.52 1ozi s PHE 14 N 3.26 3.48 -0.87 3.99 -0.71 0.55 -4.87 117.98 122.82 1ozi s PHE 14 Ca 0.28 -2.07 -0.25 0.00 -1.04 0.00 0.00 56.93 53.85 1ozi s PHE 14 Cb -0.13 -3.32 -0.03 0.00 -1.21 0.00 0.00 43.02 38.33 1ozi s PHE 14 CO 0.21 -0.97 1.84 -1.21 -1.34 0.00 0.00 175.22 173.75 1ozi s GLU 15 N 1.27 2.73 0.13 1.99 2.02 -1.26 -1.69 118.70 123.89 1ozi s GLU 15 Ca 0.06 -0.26 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 1ozi s GLU 15 Cb -0.24 -4.97 -0.07 0.00 0.10 0.00 0.00 34.13 28.94 1ozi s GLU 15 CO -0.02 -3.08 0.76 0.54 0.02 0.00 0.00 175.26 173.48 1ozi s VAL 16 N 9.08 4.48 -0.37 2.63 0.11 0.21 -4.87 120.40 131.67 1ozi s VAL 16 Ca 0.65 1.65 -0.08 0.00 -2.93 0.00 0.00 61.98 61.28 1ozi s VAL 16 Cb -0.07 -4.12 0.05 0.00 -1.53 0.00 0.00 36.38 30.72 1ozi s VAL 16 CO 0.02 0.49 0.17 -0.70 -3.33 0.00 0.00 175.10 171.75 1ozi s GLU 17 N -0.90 2.61 -0.11 1.54 2.12 -1.26 -0.50 118.70 122.19 1ozi s GLU 17 Ca 0.36 -1.30 0.02 0.00 0.36 0.00 0.00 54.97 54.41 1ozi s GLU 17 Cb -0.22 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 1ozi s GLU 17 CO 0.25 -0.79 -0.17 -1.17 -0.54 0.00 0.00 175.26 172.84 1ozi s LEU 18 N 1.41 2.47 -0.16 2.70 1.98 0.79 -4.95 118.68 122.93 1ozi s LEU 18 Ca 0.01 -0.41 -0.07 0.00 -2.89 0.00 0.00 54.13 50.78 1ozi s LEU 18 Cb -0.21 -1.53 -0.04 0.00 0.66 0.00 0.00 46.19 45.08 1ozi s LEU 18 CO 0.03 0.18 0.06 0.00 -1.89 0.00 0.00 176.35 174.73 1ozi s ALA 19 N 0.25 3.44 0.32 5.97 0.00 -1.26 0.51 121.76 130.98 1ozi s ALA 19 Ca -0.12 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1ozi s ALA 19 Cb -0.16 -1.86 -0.11 0.00 0.00 0.00 0.00 23.12 20.98 1ozi s ALA 19 CO 0.06 0.28 1.57 0.15 0.00 0.00 0.00 175.76 177.82 1ozi s LYS 20 N 0.05 4.11 -0.50 0.00 3.01 0.74 -4.44 119.74 122.72 1ozi s LYS 20 Ca 0.06 2.58 -0.12 0.00 -1.01 0.00 0.00 55.97 57.48 1ozi s LYS 20 Cb -0.12 -3.01 0.12 0.00 -1.01 0.00 0.00 37.83 33.81 1ozi s LYS 20 CO 0.01 -0.61 0.40 0.95 0.51 0.00 0.00 175.35 176.61 1ozi s THR 21 N -0.30 4.61 0.00 2.17 -4.23 -0.23 -4.73 115.64 112.93 1ozi s THR 21 Ca 0.61 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1ozi s THR 21 Cb -0.48 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.38 1ozi s THR 21 CO 0.52 -0.80 0.00 -0.67 -0.54 0.00 0.00 174.62 173.13 1ozi n ASP 22 N 5.04 0.00 0.00 3.99 2.03 -1.26 -2.10 116.55 124.25 1ozi n ASP 22 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1ozi n ASP 22 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.35 3.67 0.27 0.00 -1.26 -5.14 105.19 103.08 1ozi n GLY 23 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ozi n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ozi s SER 24 N 0.00 5.06 0.01 1.61 0.01 -0.89 -4.97 113.70 114.52 1ozi s SER 24 Ca 0.00 -0.01 0.23 0.00 1.31 0.00 0.00 55.95 57.48 1ozi s SER 24 Cb 0.00 -1.31 0.17 0.00 0.21 0.00 0.00 66.02 65.09 1ozi s SER 24 CO 0.00 0.29 1.17 -0.11 0.41 0.00 0.00 173.24 175.00 1ozi n LEU 25 N 1.52 0.68 0.00 2.44 7.94 -1.26 -1.07 117.00 127.25 1ozi n LEU 25 Ca -0.15 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 1ozi n LEU 25 Cb 0.53 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1ozi n LEU 25 CO 0.33 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 1ozi n GLY 26 N 1.47 0.64 2.95 -3.96 0.00 -1.26 -1.84 105.19 103.18 1ozi n GLY 26 Ca 0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 0.11 -0.12 -0.61 -4.36 -1.26 0.03 121.20 112.98 1ozi s ILE 27 Ca 0.00 -0.59 -0.03 0.00 -0.26 0.00 0.00 60.65 59.77 1ozi s ILE 27 Cb 0.00 -0.20 -0.03 0.00 1.25 0.00 0.00 42.46 43.48 1ozi s ILE 27 CO 0.00 -0.30 -0.00 -0.44 0.24 0.00 0.00 174.94 174.44 1ozi s SER 28 N -0.92 5.17 0.45 4.36 0.01 0.95 -4.81 113.70 118.91 1ozi s SER 28 Ca -0.10 0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.22 1ozi s SER 28 Cb -0.06 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1ozi s SER 28 CO -0.01 0.28 0.66 -0.69 0.41 0.00 0.00 173.24 173.89 1ozi s VAL 29 N -0.27 3.84 -0.11 3.43 1.01 -1.26 0.54 120.40 127.58 1ozi s VAL 29 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1ozi s VAL 29 Cb -0.12 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1ozi s VAL 29 CO 0.02 -0.27 0.33 0.28 0.00 0.00 0.00 175.10 175.46 1ozi s THR 30 N -2.54 0.01 -0.07 3.92 -1.32 0.55 -4.43 115.64 111.76 1ozi s THR 30 Ca 0.49 -0.09 0.05 0.00 -1.21 0.00 0.00 61.69 60.93 1ozi s THR 30 Cb -0.10 -0.50 -0.01 0.00 -1.51 0.00 0.00 72.50 70.39 1ozi s THR 30 CO 0.37 -0.05 -0.23 0.68 -2.21 0.00 0.00 174.62 173.19 1ozi s VAL 31 N -0.09 1.90 -0.57 5.08 -7.23 -1.26 -1.53 120.40 116.69 1ozi s VAL 31 Ca -0.02 -0.96 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 1ozi s VAL 31 Cb -0.03 -1.62 0.15 0.00 0.56 0.00 0.00 36.38 35.44 1ozi s VAL 31 CO 0.01 0.53 0.41 -0.76 -0.31 0.00 0.00 175.10 174.98 1ozi s LEU 32 N 0.04 5.46 0.00 1.32 1.43 0.71 -4.66 118.68 122.98 1ozi s LEU 32 Ca -0.08 -2.52 0.00 0.00 -1.03 0.00 0.00 54.13 50.50 1ozi s LEU 32 Cb -0.15 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1ozi s LEU 32 CO 0.05 -0.48 0.00 0.33 0.23 0.00 0.00 176.35 176.48 1ozi n PHE 33 N 3.99 -0.25 -2.02 0.29 7.35 -1.26 -3.79 117.46 121.77 1ozi n PHE 33 Ca 0.04 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.43 1ozi n PHE 33 Cb 0.40 0.50 0.03 0.00 0.35 0.00 0.00 39.48 40.75 1ozi n PHE 33 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1ozi s ASP 34 N -4.68 5.78 -0.43 -2.13 1.47 -1.26 -4.95 116.67 110.47 1ozi s ASP 34 Ca 0.00 1.14 -0.28 0.00 1.18 0.00 0.00 52.55 54.59 1ozi s ASP 34 Cb 0.00 -2.09 -0.01 0.00 -0.34 0.00 0.00 42.92 40.48 1ozi s ASP 34 CO 0.00 -1.09 1.72 -0.75 0.68 0.00 0.00 175.17 175.72 1ozi s LYS 35 N -5.20 3.21 0.00 2.11 2.20 -1.26 -4.82 119.74 115.98 1ozi s LYS 35 Ca 0.56 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 1ozi s LYS 35 Cb -0.11 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 1ozi s LYS 35 CO 0.51 -2.01 0.00 0.41 -0.36 0.00 0.00 175.35 173.90 1ozi n GLY 36 N 5.41 -1.91 7.00 5.54 0.00 -1.26 -5.13 105.19 114.84 1ozi n GLY 36 Ca 0.20 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.40 3.08 3.61 -0.02 0.00 -1.26 -4.30 105.19 105.89 1ozi n GLY 37 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 4.54 -0.31 1.61 1.01 -1.26 -4.99 120.40 121.00 1ozi s VAL 38 Ca 0.00 1.29 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 1ozi s VAL 38 Cb 0.00 -4.37 0.11 0.00 0.00 0.00 0.00 36.38 32.11 1ozi s VAL 38 CO 0.00 -0.57 0.14 0.21 0.00 0.00 0.00 175.10 174.88 1ozi s ASN 39 N 1.89 3.58 -0.10 3.32 3.84 -1.26 -4.72 114.94 121.50 1ozi s ASN 39 Ca 0.40 -1.59 -0.23 0.00 0.21 0.00 0.00 52.86 51.65 1ozi s ASN 39 Cb -0.12 -0.52 -0.20 0.00 -0.55 0.00 0.00 41.25 39.86 1ozi s ASN 39 CO 0.19 -0.40 0.77 0.71 -2.79 0.00 0.00 177.10 175.58 1ozi h THR 40 N 6.15 1.32 0.00 -5.21 1.35 -1.96 -3.47 112.91 111.09 1ozi h THR 40 Ca -0.13 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1ozi h THR 40 Cb 1.00 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1ozi h THR 40 CO 0.42 0.41 0.00 -0.24 -0.25 0.00 0.00 175.52 175.86 1ozi n SER 41 N -4.73 0.00 -4.86 5.36 2.88 -1.26 -5.12 113.62 105.89 1ozi n SER 41 Ca -0.08 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.25 1ozi n SER 41 Cb 0.34 0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 64.13 1ozi n SER 41 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ozi s VAL 42 N -1.90 3.27 -0.11 2.46 0.11 -1.26 -5.11 120.40 117.85 1ozi s VAL 42 Ca 0.00 -1.37 -0.07 0.00 -2.93 0.00 0.00 61.98 57.61 1ozi s VAL 42 Cb 0.00 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 1ozi s VAL 42 CO 0.00 -0.13 0.15 -0.13 -3.33 0.00 0.00 175.10 171.66 1ozi s ARG 43 N -4.03 3.45 -0.29 1.54 3.00 -1.26 -4.78 118.95 116.58 1ozi s ARG 43 Ca 0.43 -0.13 -0.25 0.00 0.00 0.00 0.00 55.73 55.77 1ozi s ARG 43 Cb -0.05 -3.18 0.00 0.00 0.00 0.00 0.00 34.95 31.72 1ozi s ARG 43 CO 0.27 0.77 0.88 -3.38 0.00 0.00 0.00 175.30 173.83 1ozi s HIS 44 N -1.06 3.23 0.00 -0.53 -3.43 -1.26 -4.71 115.29 107.54 1ozi s HIS 44 Ca 0.16 1.03 0.00 0.00 -0.80 0.00 0.00 55.06 55.45 1ozi s HIS 44 Cb -0.12 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.76 1ozi s HIS 44 CO 0.05 -0.55 0.00 0.41 -2.00 0.00 0.00 174.74 172.65 1ozi n GLY 45 N 3.94 1.64 0.00 -1.38 0.00 -1.26 -4.59 105.19 103.54 1ozi n GLY 45 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 2.78 3.40 -0.02 0.00 -1.25 -4.12 105.19 105.98 1ozi n GLY 46 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 2.83 0.27 -0.61 -1.09 -1.25 -0.21 121.20 121.14 1ozi s ILE 47 Ca 0.00 -0.78 -0.20 0.00 -2.23 0.00 0.00 60.65 57.44 1ozi s ILE 47 Cb 0.00 -2.12 0.02 0.00 -1.58 0.00 0.00 42.46 38.78 1ozi s ILE 47 CO 0.00 0.57 0.67 -0.72 -1.23 0.00 0.00 174.94 174.22 1ozi s TYR 48 N -0.30 -0.12 -0.19 3.97 1.13 -0.58 0.12 117.35 121.38 1ozi s TYR 48 Ca 0.02 -0.31 -0.29 0.00 -1.41 0.00 0.00 57.07 55.08 1ozi s TYR 48 Cb -0.13 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 1ozi s TYR 48 CO 0.03 -1.17 1.00 0.08 -2.51 0.00 0.00 175.55 172.98 1ozi s VAL 49 N -3.93 4.73 -0.12 -3.49 1.01 -0.64 -0.33 120.40 117.64 1ozi s VAL 49 Ca 0.12 1.98 -0.02 0.00 0.00 0.00 0.00 61.98 64.06 1ozi s VAL 49 Cb -0.05 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.80 1ozi s VAL 49 CO 0.06 -0.11 0.36 1.17 0.00 0.00 0.00 175.10 176.58 1ozi n LYS 50 N 5.86 0.73 -3.56 2.72 3.00 0.19 -0.20 118.16 126.90 1ozi n LYS 50 Ca 0.10 0.25 -0.12 0.00 -0.00 0.00 0.00 58.31 58.55 1ozi n LYS 50 Cb 0.47 -1.70 -0.04 0.00 0.00 0.00 0.00 35.03 33.76 1ozi n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ozi s ALA 51 N -2.56 -1.21 -0.28 3.14 0.00 -0.98 -4.61 121.76 115.26 1ozi s ALA 51 Ca -0.20 0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1ozi s ALA 51 Cb 0.07 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1ozi s ALA 51 CO 0.77 -0.64 0.13 0.42 0.00 0.00 0.00 175.76 176.44 1ozi s ILE 52 N -3.42 4.65 -0.08 0.00 -1.09 -1.26 -0.03 121.20 119.96 1ozi s ILE 52 Ca 0.00 -0.22 -0.16 0.00 -2.23 0.00 0.00 60.65 58.05 1ozi s ILE 52 Cb 0.00 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 1ozi s ILE 52 CO -0.10 0.19 0.41 -0.63 -1.23 0.00 0.00 174.94 173.59 1ozi s ILE 53 N 1.64 5.14 0.32 2.92 -1.09 0.10 -4.93 121.20 125.31 1ozi s ILE 53 Ca 0.06 0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 59.25 1ozi s ILE 53 Cb -0.16 -3.74 0.08 0.00 -1.58 0.00 0.00 42.46 37.06 1ozi s ILE 53 CO 0.06 0.44 0.31 -2.65 -1.23 0.00 0.00 174.94 171.88 1ozi n PRO 54 N 2.88 -1.29 -0.36 2.79 -0.02 -1.26 -4.36 135.00 133.38 1ozi n PRO 54 Ca -0.11 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 1ozi n PRO 54 Cb 0.52 -0.43 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 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 -2.26 0.00 0.00 -0.52 3.00 -1.26 -4.77 118.16 112.36 1ozi n LYS 55 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1ozi n LYS 55 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.19 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 -2.19 0.56 7.00 3.14 0.00 -1.26 -4.82 105.19 107.61 1ozi n GLY 56 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.00 0.00 -0.34 4.61 0.00 -1.26 -3.46 120.51 119.07 1ozi n ALA 57 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ozi n ALA 57 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.42 1.29 0.45 0.00 0.00 -1.60 0.26 119.26 119.24 1ozi h ALA 58 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ozi h ALA 58 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1ozi h ALA 58 CO 0.00 0.64 -0.21 1.49 0.00 0.00 0.00 179.25 181.16 1ozi h GLU 59 N 1.27 -0.58 -0.11 0.00 4.22 -1.77 -0.68 114.58 116.94 1ozi h GLU 59 Ca 0.34 0.04 -0.19 0.00 0.08 0.00 0.00 59.36 59.62 1ozi h GLU 59 Cb -0.10 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ozi h GLU 59 CO -0.07 -0.28 -0.73 0.77 -2.18 0.00 0.00 179.01 176.52 1ozi h SER 60 N -0.85 0.64 0.79 1.04 0.02 -1.58 -2.20 113.55 111.41 1ozi h SER 60 Ca -0.06 -0.41 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 1ozi h SER 60 Cb 0.56 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1ozi h SER 60 CO 0.10 1.17 -0.63 -0.78 -1.14 0.00 0.00 176.83 175.55 1ozi h ASP 61 N 0.38 0.00 -3.77 3.07 1.82 -0.61 -3.48 116.42 113.83 1ozi h ASP 61 Ca -0.03 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.45 1ozi h ASP 61 Cb 1.32 0.00 0.08 0.00 0.68 0.00 0.00 39.33 41.41 1ozi h ASP 61 CO 0.13 0.63 -0.37 0.61 -1.61 0.00 0.00 179.24 178.63 1ozi n GLY 62 N 0.50 0.05 0.34 -0.78 0.00 -0.32 -4.99 105.19 99.99 1ozi n GLY 62 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.46 0.41 -3.62 1.61 5.12 -0.85 -5.00 116.66 111.87 1ozi n ARG 63 Ca -0.13 0.17 -0.35 0.00 -1.93 0.00 0.00 57.85 55.61 1ozi n ARG 63 Cb 0.58 -1.21 -0.05 0.00 -1.16 0.00 0.00 32.46 30.61 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 -2.59 5.15 0.21 0.55 1.01 -1.25 -5.09 121.20 119.20 1ozi s ILE 64 Ca -0.24 0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1ozi s ILE 64 Cb 0.06 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1ozi s ILE 64 CO 0.34 0.36 0.09 -1.38 0.00 0.00 0.00 174.94 174.35 1ozi s HIS 65 N -1.31 1.29 0.39 3.97 -3.43 -1.26 -4.55 115.29 110.38 1ozi s HIS 65 Ca 0.30 -1.23 -0.27 0.00 -0.80 0.00 0.00 55.06 53.06 1ozi s HIS 65 Cb -0.14 -0.71 -0.09 0.00 -1.43 0.00 0.00 32.58 30.21 1ozi s HIS 65 CO 0.16 -0.44 1.31 -1.59 -2.00 0.00 0.00 174.74 172.18 1ozi s LYS 66 N -4.06 4.05 0.00 -0.38 -2.85 -1.26 -3.59 119.74 111.65 1ozi s LYS 66 Ca 0.35 2.19 0.00 0.00 -1.00 0.00 0.00 55.97 57.50 1ozi s LYS 66 Cb 0.07 -2.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.01 1ozi s LYS 66 CO 0.10 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1ozi n GLY 67 N 0.68 3.09 3.77 0.59 0.00 0.72 -4.87 105.19 109.17 1ozi n GLY 67 Ca 0.03 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 6.17 0.06 1.61 1.01 -1.24 -3.70 116.67 120.59 1ozi s ASP 68 Ca 0.00 2.50 0.01 0.00 0.71 0.00 0.00 52.55 55.77 1ozi s ASP 68 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1ozi s ASP 68 CO 0.00 -0.93 0.15 -0.60 0.21 0.00 0.00 175.17 174.00 1ozi s ARG 69 N -2.47 3.22 -0.10 8.23 3.52 -0.90 -1.61 118.95 128.84 1ozi s ARG 69 Ca 0.61 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.71 1ozi s ARG 69 Cb -0.34 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1ozi s ARG 69 CO 0.42 0.60 -0.16 0.08 -0.81 0.00 0.00 175.30 175.43 1ozi s VAL 70 N -1.43 2.81 -0.19 7.11 1.01 0.12 -0.51 120.40 129.32 1ozi s VAL 70 Ca 0.32 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1ozi s VAL 70 Cb -0.13 -2.13 -0.22 0.00 0.00 0.00 0.00 36.38 33.91 1ozi s VAL 70 CO 0.24 0.55 0.09 0.18 0.00 0.00 0.00 175.10 176.17 1ozi n LEU 71 N 3.12 2.15 -3.89 3.92 4.77 0.10 -3.85 117.00 123.33 1ozi n LEU 71 Ca -0.18 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.81 1ozi n LEU 71 Cb 0.52 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1ozi n LEU 71 CO 0.28 0.78 0.79 0.00 -1.33 0.00 0.00 177.39 177.91 1ozi s ALA 72 N -2.53 -1.49 -0.24 -1.18 0.00 -0.77 -2.22 121.76 113.32 1ozi s ALA 72 Ca -0.24 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1ozi s ALA 72 Cb 0.08 0.77 0.06 0.00 0.00 0.00 0.00 23.12 24.02 1ozi s ALA 72 CO 0.71 -1.06 -0.07 0.08 0.00 0.00 0.00 175.76 175.42 1ozi s VAL 73 N -2.11 1.73 -1.56 0.00 1.01 -0.56 0.53 120.40 119.43 1ozi s VAL 73 Ca 0.22 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1ozi s VAL 73 Cb -0.03 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1ozi s VAL 73 CO 0.06 -0.06 0.58 -3.20 0.00 0.00 0.00 175.10 172.48 1ozi n ASN 74 N 4.60 -6.05 0.00 3.32 5.15 0.17 -0.85 115.26 121.60 1ozi n ASN 74 Ca -0.13 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 1ozi n ASN 74 Cb 0.44 -4.89 0.00 0.00 -0.53 0.00 0.00 39.78 34.79 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 -1.49 2.38 3.58 8.20 0.00 -1.26 -5.01 105.19 111.58 1ozi n GLY 75 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.27 4.59 -0.05 1.61 1.01 -0.03 -4.96 120.40 120.30 1ozi s VAL 76 Ca 0.00 0.89 -0.35 0.00 0.00 0.00 0.00 61.98 62.52 1ozi s VAL 76 Cb 0.00 -4.34 -0.13 0.00 0.00 0.00 0.00 36.38 31.91 1ozi s VAL 76 CO 0.00 -0.63 1.77 -1.20 0.00 0.00 0.00 175.10 175.04 1ozi n SER 77 N 6.82 3.15 -0.13 3.32 7.64 -1.26 -1.50 113.62 131.66 1ozi n SER 77 Ca 0.05 1.02 0.01 0.00 1.01 0.00 0.00 58.87 60.96 1ozi n SER 77 Cb 0.48 -1.35 0.03 0.00 -1.01 0.00 0.00 64.21 62.36 1ozi n SER 77 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ozi n LEU 78 N 5.56 2.08 -4.65 -3.43 7.94 -0.94 -4.90 117.00 118.66 1ozi n LEU 78 Ca 0.22 -1.89 -0.43 0.00 -1.11 0.00 0.00 56.01 52.79 1ozi n LEU 78 Cb 0.27 -0.04 -0.02 0.00 0.53 0.00 0.00 43.42 44.15 1ozi n LEU 78 CO 0.71 0.52 1.20 -1.61 -1.11 0.00 0.00 177.39 177.10 1ozi s GLU 79 N -0.91 4.08 0.00 1.96 2.02 -1.12 -2.18 118.70 122.54 1ozi s GLU 79 Ca 0.05 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.72 1ozi s GLU 79 Cb 0.02 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1ozi s GLU 79 CO 0.03 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1ozi n GLY 80 N 4.04 1.18 3.89 -1.39 0.00 -1.26 -5.05 105.19 106.61 1ozi n GLY 80 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 3.93 0.52 4.61 0.00 -0.93 -5.09 121.76 122.80 1ozi s ALA 81 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1ozi s ALA 81 Cb 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.42 1ozi s ALA 81 CO 0.00 0.81 0.72 -0.08 0.00 0.00 0.00 175.76 177.21 1ozi s THR 82 N -1.48 2.49 0.15 0.00 -1.32 -1.26 -4.70 115.64 109.52 1ozi s THR 82 Ca 0.34 -0.96 -0.24 0.00 -1.21 0.00 0.00 61.69 59.62 1ozi s THR 82 Cb -0.13 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.35 1ozi s THR 82 CO 0.27 0.00 1.61 0.45 -2.21 0.00 0.00 174.62 174.74 1ozi h HIS 83 N 0.30 -0.81 -0.19 9.09 -0.00 -1.95 0.07 115.15 121.66 1ozi h HIS 83 Ca -0.35 0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.03 1ozi h HIS 83 Cb 1.28 0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 29.08 1ozi h HIS 83 CO 0.38 -0.37 -0.06 0.87 -0.00 0.00 0.00 177.93 178.75 1ozi h LYS 84 N -0.30 0.29 -0.08 2.45 1.57 -1.98 -0.60 116.57 117.92 1ozi h LYS 84 Ca 0.14 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1ozi h LYS 84 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ozi h LYS 84 CO -0.43 0.37 -0.23 1.96 -0.57 0.00 0.00 179.45 180.55 1ozi h GLN 85 N 0.28 0.29 0.22 3.15 1.08 -1.58 -1.35 115.11 117.20 1ozi h GLN 85 Ca 0.06 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1ozi h GLN 85 Cb 0.29 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1ozi h GLN 85 CO 0.01 0.83 -0.35 0.00 -0.95 0.00 0.00 178.83 178.37 1ozi h ALA 86 N 0.46 -0.67 0.00 3.87 0.00 -0.63 -1.11 119.26 121.18 1ozi h ALA 86 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ozi h ALA 86 Cb 0.85 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ozi h ALA 86 CO 0.05 -0.92 -0.14 0.28 0.00 0.00 0.00 179.25 178.52 1ozi h VAL 87 N -0.64 1.03 0.00 0.00 2.07 -1.16 -0.61 116.25 116.95 1ozi h VAL 87 Ca 0.01 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1ozi h VAL 87 Cb 0.63 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1ozi h VAL 87 CO -0.14 0.14 -0.42 -0.33 0.02 0.00 0.00 177.57 176.83 1ozi h GLU 88 N 0.00 0.00 -0.19 1.57 4.39 -0.59 -0.22 114.58 119.54 1ozi h GLU 88 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1ozi h GLU 88 Cb 0.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1ozi h GLU 88 CO 0.02 0.42 -0.71 1.15 -1.16 0.00 0.00 179.01 178.73 1ozi h THR 89 N 0.00 1.28 0.00 1.13 2.02 0.12 -0.72 112.91 116.74 1ozi h THR 89 Ca -0.00 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.27 1ozi h THR 89 Cb 0.94 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1ozi h THR 89 CO 0.05 0.61 0.00 -0.07 0.37 0.00 0.00 175.52 176.48 1ozi h LEU 90 N 0.58 0.00 0.16 2.58 4.07 -1.04 -1.69 115.31 119.97 1ozi h LEU 90 Ca -0.03 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.67 1ozi h LEU 90 Cb 1.33 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.09 1ozi h LEU 90 CO 0.15 0.00 -1.18 -0.09 -1.08 0.00 0.00 178.44 176.24 1ozi h ARG 91 N 0.00 0.34 -0.38 1.13 9.65 -0.70 -3.36 114.38 121.06 1ozi h ARG 91 Ca 0.00 -0.58 -0.08 0.00 -1.10 0.00 0.00 59.98 58.22 1ozi h ARG 91 Cb 0.46 0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 1ozi h ARG 91 CO 0.00 1.28 -0.11 -0.97 2.80 0.00 0.00 179.97 182.97 1ozi h ASN 92 N -0.22 0.65 0.45 -3.80 -1.24 -0.55 -3.19 115.58 107.67 1ozi h ASN 92 Ca -0.23 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.59 1ozi h ASN 92 Cb 1.81 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 40.68 1ozi h ASN 92 CO 0.15 0.79 -0.27 0.71 -1.29 0.00 0.00 177.43 177.52 1ozi h THR 93 N 0.61 0.45 0.00 -3.57 1.35 -1.49 -3.49 112.91 106.77 1ozi h THR 93 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1ozi h THR 93 Cb 0.54 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1ozi h THR 93 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1ozi n GLY 94 N -1.40 0.41 0.15 5.82 0.00 -1.21 -4.86 105.19 104.11 1ozi n GLY 94 Ca -0.11 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.26 -5.37 1.61 4.15 -1.90 -3.42 115.11 109.91 1ozi h GLN 95 Ca 0.00 0.02 -0.64 0.00 0.77 0.00 0.00 58.65 58.80 1ozi h GLN 95 Cb 0.00 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 27.60 1ozi h GLN 95 CO 0.00 0.10 0.07 0.08 -1.93 0.00 0.00 178.83 177.15 1ozi s VAL 96 N -3.30 4.92 -0.19 2.39 1.01 -1.26 -0.18 120.40 123.78 1ozi s VAL 96 Ca -0.11 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1ozi s VAL 96 Cb 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1ozi s VAL 96 CO 0.41 -0.36 0.04 -0.69 0.00 0.00 0.00 175.10 174.49 1ozi s VAL 97 N 2.63 4.45 -0.19 2.92 1.01 0.18 -4.91 120.40 126.49 1ozi s VAL 97 Ca 0.22 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1ozi s VAL 97 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1ozi s VAL 97 CO 0.15 0.45 0.17 -2.28 0.00 0.00 0.00 175.10 173.59 1ozi s HIS 98 N 0.61 3.43 0.05 5.22 2.46 -1.26 -0.15 115.29 125.65 1ozi s HIS 98 Ca 0.02 0.40 0.06 0.00 0.47 0.00 0.00 55.06 56.00 1ozi s HIS 98 Cb -0.13 -2.19 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 1ozi s HIS 98 CO 0.02 0.31 -0.16 -0.51 -2.47 0.00 0.00 174.74 171.92 1ozi s LEU 99 N 0.30 2.19 -0.38 8.88 1.02 0.34 0.44 118.68 131.47 1ozi s LEU 99 Ca 0.10 -0.50 -0.15 0.00 0.02 0.00 0.00 54.13 53.60 1ozi s LEU 99 Cb -0.11 -0.72 0.00 0.00 0.02 0.00 0.00 46.19 45.38 1ozi s LEU 99 CO -0.00 0.06 0.32 -0.22 0.02 0.00 0.00 176.35 176.52 1ozi s LEU 100 N -1.26 4.76 0.36 1.79 0.20 0.19 -0.62 118.68 124.10 1ozi s LEU 100 Ca 0.03 -0.59 0.08 0.00 0.69 0.00 0.00 54.13 54.35 1ozi s LEU 100 Cb -0.08 -2.23 -0.05 0.00 -0.43 0.00 0.00 46.19 43.40 1ozi s LEU 100 CO 0.02 -0.38 0.07 -0.76 -0.29 0.00 0.00 176.35 175.00 1ozi s LEU 101 N 1.83 3.04 0.07 -0.68 1.02 -0.68 0.01 118.68 123.29 1ozi s LEU 101 Ca 0.08 -1.01 0.04 0.00 0.02 0.00 0.00 54.13 53.25 1ozi s LEU 101 Cb -0.18 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 1ozi s LEU 101 CO 0.11 -0.34 -0.11 -0.70 0.02 0.00 0.00 176.35 175.34 1ozi s GLU 102 N -3.78 0.75 -0.21 1.70 2.56 0.33 -0.33 118.70 119.72 1ozi s GLU 102 Ca 0.37 -0.98 -0.34 0.00 0.00 0.00 0.00 54.97 54.02 1ozi s GLU 102 Cb 0.01 -0.56 -0.11 0.00 2.00 0.00 0.00 34.13 35.48 1ozi s GLU 102 CO 0.20 0.10 2.03 1.17 -0.56 0.00 0.00 175.26 178.20 1ozi n LYS 103 N 1.05 1.72 0.00 4.30 0.00 -0.74 -2.12 118.16 122.37 1ozi n LYS 103 Ca -0.20 0.57 0.00 0.00 0.00 0.00 0.00 58.31 58.68 1ozi n LYS 103 Cb 0.56 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 32.94 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 5.29 -0.38 0.38 3.14 0.00 -1.26 -4.65 105.19 107.71 1ozi n GLY 104 Ca 0.30 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.51 1ozi n GLY 104 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ozi h GLN 105 N 0.00 0.50 -4.52 1.61 4.15 -1.85 -3.32 115.11 111.69 1ozi h GLN 105 Ca 0.00 -0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.73 1ozi h GLN 105 Cb 0.25 -0.11 -0.40 0.00 0.21 0.00 0.00 27.48 27.42 1ozi h GLN 105 CO 0.00 0.33 -0.70 0.08 -1.93 0.00 0.00 178.83 176.61 1ozi s VAL 106 N -5.61 2.35 -2.00 2.39 1.01 -1.26 -4.86 120.40 112.42 1ozi s VAL 106 Ca -0.10 -2.46 0.26 0.00 0.00 0.00 0.00 61.98 59.68 1ozi s VAL 106 Cb 0.25 -2.72 0.74 0.00 0.00 0.00 0.00 36.38 34.65 1ozi s VAL 106 CO 0.80 -0.63 1.91 -0.81 0.00 0.00 0.00 175.10 176.37