#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 4.19 0.00 1.97 0.02 -1.26 -1.97 135.00 137.94 1ozi s PRO 10 Ca 0.00 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1ozi s PRO 10 Cb 0.00 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1ozi s PRO 10 CO 0.00 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 1ozi n GLY 11 N 1.96 0.48 3.92 0.52 0.00 0.16 -4.97 105.19 107.25 1ozi n GLY 11 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1ozi n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozi s ASP 12 N -2.62 6.34 0.19 1.61 1.01 -0.83 -4.75 116.67 117.62 1ozi s ASP 12 Ca 0.00 0.27 -0.15 0.00 0.71 0.00 0.00 52.55 53.38 1ozi s ASP 12 Cb 0.00 -1.95 -0.07 0.00 1.01 0.00 0.00 42.92 41.90 1ozi s ASP 12 CO 0.00 0.18 0.60 0.42 0.21 0.00 0.00 175.17 176.58 1ozi s THR 13 N -1.49 4.79 -0.06 -1.27 -4.23 -1.26 0.53 115.64 112.66 1ozi s THR 13 Ca 0.34 0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 61.70 1ozi s THR 13 Cb -0.13 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.00 1ozi s THR 13 CO 0.27 0.16 0.14 0.72 -0.54 0.00 0.00 174.62 175.37 1ozi s PHE 14 N -1.57 -0.16 -0.41 3.99 -0.71 0.12 -4.93 117.98 114.32 1ozi s PHE 14 Ca 0.42 0.42 -0.17 0.00 -1.04 0.00 0.00 56.93 56.55 1ozi s PHE 14 Cb -0.14 0.00 0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1ozi s PHE 14 CO 0.20 -0.11 0.41 -1.21 -1.34 0.00 0.00 175.22 173.16 1ozi s GLU 15 N 0.48 3.14 -0.26 1.99 8.01 -1.26 -1.38 118.70 129.41 1ozi s GLU 15 Ca -0.03 -0.75 -0.20 0.00 0.01 0.00 0.00 54.97 53.99 1ozi s GLU 15 Cb -0.05 -3.95 -0.02 0.00 -4.31 0.00 0.00 34.13 25.81 1ozi s GLU 15 CO -0.02 -0.80 0.64 0.08 0.01 0.00 0.00 175.26 175.17 1ozi s VAL 16 N 2.05 4.97 -0.84 2.63 1.01 0.87 -4.92 120.40 126.17 1ozi s VAL 16 Ca 0.11 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 1ozi s VAL 16 Cb -0.17 -3.95 0.22 0.00 0.00 0.00 0.00 36.38 32.48 1ozi s VAL 16 CO 0.13 -0.01 0.78 -1.61 0.00 0.00 0.00 175.10 174.39 1ozi s GLU 17 N 2.54 3.56 -0.31 2.72 2.02 -1.26 -0.17 118.70 127.80 1ozi s GLU 17 Ca 0.26 -2.59 -0.18 0.00 0.02 0.00 0.00 54.97 52.48 1ozi s GLU 17 Cb -0.15 -4.36 -0.01 0.00 0.10 0.00 0.00 34.13 29.70 1ozi s GLU 17 CO 0.09 -1.27 0.51 -1.17 0.02 0.00 0.00 175.26 173.44 1ozi s LEU 18 N -0.09 4.22 -0.32 1.80 1.98 0.10 -4.87 118.68 121.50 1ozi s LEU 18 Ca 0.20 0.19 -0.17 0.00 -2.89 0.00 0.00 54.13 51.46 1ozi s LEU 18 Cb -0.11 -2.61 -0.02 0.00 0.66 0.00 0.00 46.19 44.11 1ozi s LEU 18 CO -0.08 -0.40 0.46 0.00 -1.89 0.00 0.00 176.35 174.43 1ozi s ALA 19 N 2.36 3.51 0.34 5.97 0.00 -1.26 -0.42 121.76 132.27 1ozi s ALA 19 Ca 0.20 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1ozi s ALA 19 Cb -0.15 -2.90 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 1ozi s ALA 19 CO 0.12 -1.01 1.44 0.15 0.00 0.00 0.00 175.76 176.46 1ozi s LYS 20 N 2.25 4.20 0.00 0.00 1.02 0.95 -4.71 119.74 123.45 1ozi s LYS 20 Ca 0.17 2.44 -0.03 0.00 0.02 0.00 0.00 55.97 58.57 1ozi s LYS 20 Cb -0.16 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1ozi s LYS 20 CO 0.12 -0.43 0.67 1.15 -0.92 0.00 0.00 175.35 175.94 1ozi h THR 21 N 3.09 0.00 0.00 2.17 2.02 -1.69 -3.45 112.91 115.04 1ozi h THR 21 Ca -0.49 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1ozi h THR 21 Cb 1.23 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ozi h THR 21 CO 0.67 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.89 1ozi n ASP 22 N -2.39 0.00 -0.32 4.18 2.03 -1.26 -4.92 116.55 113.87 1ozi n ASP 22 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1ozi n ASP 22 Cb 0.04 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 2.70 -0.43 3.40 0.27 0.00 -1.26 -5.02 105.19 104.85 1ozi n GLY 23 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.54 3.52 0.80 1.61 0.01 -1.26 -5.05 113.70 112.79 1ozi s SER 24 Ca 0.00 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 56.71 1ozi s SER 24 Cb 0.00 -0.48 0.13 0.00 0.21 0.00 0.00 66.02 65.88 1ozi s SER 24 CO 0.00 0.27 1.11 -0.76 0.41 0.00 0.00 173.24 174.27 1ozi s LEU 25 N -1.25 2.85 -0.39 2.44 1.43 -1.26 -2.83 118.68 119.66 1ozi s LEU 25 Ca 0.13 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1ozi s LEU 25 Cb -0.10 -2.40 0.53 0.00 0.03 0.00 0.00 46.19 44.25 1ozi s LEU 25 CO 0.03 -2.08 1.63 0.61 0.23 0.00 0.00 176.35 176.77 1ozi n GLY 26 N -3.17 5.16 2.92 -3.19 0.00 -1.26 -4.82 105.19 100.82 1ozi n GLY 26 Ca 0.13 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 1ozi n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ozi s ILE 27 N -3.69 0.29 -0.33 -0.61 -4.36 -1.26 -0.50 121.20 110.74 1ozi s ILE 27 Ca 0.52 -0.13 -0.04 0.00 -0.26 0.00 0.00 60.65 60.74 1ozi s ILE 27 Cb 0.44 -0.26 0.05 0.00 1.25 0.00 0.00 42.46 43.94 1ozi s ILE 27 CO 0.03 0.10 0.07 -0.55 0.24 0.00 0.00 174.94 174.82 1ozi s SER 28 N 0.09 5.15 0.39 4.36 0.15 0.97 -4.78 113.70 120.03 1ozi s SER 28 Ca -0.01 -1.25 0.08 0.00 0.70 0.00 0.00 55.95 55.47 1ozi s SER 28 Cb -0.03 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1ozi s SER 28 CO -0.00 -0.32 0.53 0.68 1.20 0.00 0.00 173.24 175.33 1ozi s VAL 29 N 1.33 3.34 0.22 4.45 -7.23 -1.26 0.24 120.40 121.48 1ozi s VAL 29 Ca -0.02 -1.01 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 1ozi s VAL 29 Cb -0.20 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 1ozi s VAL 29 CO 0.01 -0.05 0.35 0.28 -0.31 0.00 0.00 175.10 175.37 1ozi s THR 30 N -2.30 0.01 0.08 5.32 -1.32 -0.22 -4.58 115.64 112.64 1ozi s THR 30 Ca 0.52 -1.56 0.09 0.00 -1.21 0.00 0.00 61.69 59.53 1ozi s THR 30 Cb -0.10 -2.21 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 1ozi s THR 30 CO 0.32 -0.06 -0.25 0.54 -2.21 0.00 0.00 174.62 172.96 1ozi s VAL 31 N -4.05 2.07 -0.83 5.08 0.11 -1.26 -0.01 120.40 121.51 1ozi s VAL 31 Ca 0.26 -1.51 -0.19 0.00 -2.93 0.00 0.00 61.98 57.61 1ozi s VAL 31 Cb 0.02 -1.80 0.13 0.00 -1.53 0.00 0.00 36.38 33.20 1ozi s VAL 31 CO 0.08 0.20 0.99 -0.76 -3.33 0.00 0.00 175.10 172.28 1ozi s LEU 32 N -1.60 5.23 0.01 2.54 1.02 -1.06 -4.55 118.68 120.27 1ozi s LEU 32 Ca 0.11 -1.89 0.00 0.00 0.02 0.00 0.00 54.13 52.38 1ozi s LEU 32 Cb -0.10 -2.36 0.00 0.00 0.02 0.00 0.00 46.19 43.75 1ozi s LEU 32 CO 0.04 -1.06 0.00 0.33 0.02 0.00 0.00 176.35 175.68 1ozi n PHE 33 N 6.34 -0.02 0.13 0.29 -0.00 -1.26 -4.77 117.46 118.17 1ozi n PHE 33 Ca 0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.37 1ozi n PHE 33 Cb 0.47 0.11 -0.15 0.00 -0.00 0.00 0.00 39.48 39.91 1ozi n PHE 33 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1ozi h ASP 34 N 0.00 0.74 -3.01 -2.13 3.58 -2.03 -3.44 116.42 110.13 1ozi h ASP 34 Ca 0.00 -0.78 -0.63 0.00 0.42 0.00 0.00 57.03 56.04 1ozi h ASP 34 Cb 0.75 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 1ozi h ASP 34 CO 0.00 1.61 -0.54 -0.54 -2.88 0.00 0.00 179.24 176.89 1ozi s LYS 35 N -2.64 3.20 0.00 0.28 3.01 -1.26 -5.05 119.74 117.29 1ozi s LYS 35 Ca -0.08 -0.55 0.00 0.00 -1.01 0.00 0.00 55.97 54.33 1ozi s LYS 35 Cb 0.05 -2.90 0.00 0.00 -1.01 0.00 0.00 37.83 33.97 1ozi s LYS 35 CO 0.93 0.59 0.00 0.41 0.51 0.00 0.00 175.35 177.79 1ozi n GLY 36 N 0.33 -1.19 0.95 -3.33 0.00 -1.26 -4.64 105.19 96.05 1ozi n GLY 36 Ca -0.07 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.19 2.06 0.12 -0.02 0.00 0.11 -4.51 105.19 102.76 1ozi n GLY 37 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 1ozi n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ozi h VAL 38 N 0.00 1.07 -0.24 1.61 3.04 -1.97 -2.94 116.25 116.82 1ozi h VAL 38 Ca 0.00 -2.41 -0.02 0.00 -1.01 0.00 0.00 66.70 63.26 1ozi h VAL 38 Cb 0.00 2.75 -0.01 0.00 -2.01 0.00 0.00 31.29 32.02 1ozi h VAL 38 CO 0.00 0.71 0.07 -1.13 -1.01 0.00 0.00 177.57 176.21 1ozi h ASN 39 N -0.30 0.35 -2.51 3.17 -0.73 -1.98 -3.43 115.58 110.15 1ozi h ASN 39 Ca -0.29 -0.21 0.06 0.00 1.87 0.00 0.00 56.30 57.73 1ozi h ASN 39 Cb 1.76 -0.09 -0.22 0.00 0.27 0.00 0.00 38.32 40.04 1ozi h ASN 39 CO 0.07 0.47 0.05 0.28 -0.37 0.00 0.00 177.43 177.93 1ozi s THR 40 N -5.37 -0.32 0.02 -3.57 -1.32 -1.26 -5.06 115.64 98.77 1ozi s THR 40 Ca -0.14 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.09 1ozi s THR 40 Cb 0.08 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.90 1ozi s THR 40 CO 0.72 0.00 1.32 0.28 -2.21 0.00 0.00 174.62 174.73 1ozi h SER 41 N 7.18 -0.35 -2.85 8.08 0.02 -1.81 0.31 113.55 124.14 1ozi h SER 41 Ca -0.25 -0.15 -0.46 0.00 -0.84 0.00 0.00 61.79 60.08 1ozi h SER 41 Cb 1.18 0.09 0.03 0.00 0.14 0.00 0.00 62.40 63.84 1ozi h SER 41 CO 0.14 -0.02 -0.08 0.68 -1.14 0.00 0.00 176.83 176.41 1ozi s VAL 42 N -4.91 4.21 -1.18 2.27 -7.23 -1.26 -4.24 120.40 108.06 1ozi s VAL 42 Ca -0.15 -0.42 -0.18 0.00 -1.81 0.00 0.00 61.98 59.42 1ozi s VAL 42 Cb 0.03 -3.56 0.09 0.00 0.56 0.00 0.00 36.38 33.50 1ozi s VAL 42 CO 0.57 -0.41 1.54 -0.13 -0.31 0.00 0.00 175.10 176.36 1ozi s ARG 43 N -4.55 3.88 -0.42 4.82 0.52 -1.26 -4.92 118.95 117.02 1ozi s ARG 43 Ca 0.47 -1.91 -0.28 0.00 -0.52 0.00 0.00 55.73 53.49 1ozi s ARG 43 Cb -0.10 -5.33 -0.01 0.00 0.52 0.00 0.00 34.95 30.04 1ozi s ARG 43 CO 0.38 -2.09 1.65 -1.58 0.02 0.00 0.00 175.30 173.69 1ozi s HIS 44 N 3.64 2.02 0.00 -0.53 5.65 -1.26 -3.24 115.29 121.57 1ozi s HIS 44 Ca 0.47 0.65 0.00 0.00 0.25 0.00 0.00 55.06 56.43 1ozi s HIS 44 Cb 0.01 -4.21 0.00 0.00 -1.18 0.00 0.00 32.58 27.20 1ozi s HIS 44 CO 0.00 -2.46 0.00 0.41 -0.65 0.00 0.00 174.74 172.04 1ozi n GLY 45 N 5.34 1.96 0.00 1.59 0.00 -1.26 -4.67 105.19 108.15 1ozi n GLY 45 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 3.06 3.73 -0.02 0.00 -1.20 -2.17 105.19 108.59 1ozi n GLY 46 Ca 0.00 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.03 4.60 -0.16 -0.61 -1.09 -1.20 -2.57 121.20 120.14 1ozi s ILE 47 Ca 0.00 -0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1ozi s ILE 47 Cb 0.00 -2.96 0.05 0.00 -1.58 0.00 0.00 42.46 37.97 1ozi s ILE 47 CO 0.00 0.60 0.03 -0.31 -1.23 0.00 0.00 174.94 174.03 1ozi s TYR 48 N -0.93 0.85 -0.32 3.97 1.51 0.98 0.42 117.35 123.83 1ozi s TYR 48 Ca 0.14 -0.62 -0.42 0.00 -1.01 0.00 0.00 57.07 55.17 1ozi s TYR 48 Cb -0.11 -0.94 -0.17 0.00 -0.11 0.00 0.00 41.96 40.63 1ozi s TYR 48 CO 0.03 -0.53 1.71 0.28 -1.11 0.00 0.00 175.55 175.94 1ozi n VAL 49 N 5.10 0.24 -0.02 0.71 0.31 -0.44 -1.06 118.33 123.17 1ozi n VAL 49 Ca -0.08 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.06 1ozi n VAL 49 Cb 0.48 -1.07 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 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 5.09 0.69 -3.61 5.55 4.81 0.14 -0.58 118.16 130.25 1ozi n LYS 50 Ca 0.27 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.86 1ozi n LYS 50 Cb 0.09 -1.73 -0.05 0.00 0.02 0.00 0.00 35.03 33.36 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 -1.08 -0.25 3.14 0.00 -0.17 -4.73 121.76 116.09 1ozi s ALA 51 Ca -0.14 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 1ozi s ALA 51 Cb 0.07 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1ozi s ALA 51 CO 0.79 -0.60 0.03 0.42 0.00 0.00 0.00 175.76 176.41 1ozi s ILE 52 N -3.34 3.90 -0.00 0.00 -1.09 -1.26 -0.02 121.20 119.39 1ozi s ILE 52 Ca -0.00 -0.42 -0.22 0.00 -2.23 0.00 0.00 60.65 57.78 1ozi s ILE 52 Cb 0.01 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.97 1ozi s ILE 52 CO -0.09 0.30 0.64 -0.63 -1.23 0.00 0.00 174.94 173.93 1ozi s ILE 53 N 1.54 4.89 0.00 2.92 -1.09 0.35 -4.91 121.20 124.89 1ozi s ILE 53 Ca 0.05 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1ozi s ILE 53 Cb -0.15 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1ozi s ILE 53 CO 0.01 0.39 0.00 -2.65 -1.23 0.00 0.00 174.94 171.46 1ozi n PRO 54 N 2.86 0.00 0.00 2.79 -0.02 -1.26 -3.92 135.00 135.45 1ozi n PRO 54 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1ozi n PRO 54 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1ozi n PRO 54 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ozi n LYS 55 N 0.00 0.00 0.00 -0.52 3.00 -1.26 -2.62 118.16 116.76 1ozi n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ozi n LYS 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 0.00 0.00 3.14 0.00 -1.26 -5.04 105.19 102.02 1ozi n GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.16 0.06 4.61 0.00 -1.08 -4.21 120.51 120.06 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 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 1.00 1.01 -0.15 0.00 0.00 -1.78 0.29 119.26 119.64 1ozi h ALA 58 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1ozi h ALA 58 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ozi h ALA 58 CO 0.00 0.61 -0.20 1.49 0.00 0.00 0.00 179.25 181.15 1ozi h GLU 59 N 0.29 0.41 -0.12 0.00 4.22 -1.73 -0.71 114.58 116.94 1ozi h GLU 59 Ca 0.03 -0.23 -0.12 0.00 0.08 0.00 0.00 59.36 59.11 1ozi h GLU 59 Cb 0.85 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1ozi h GLU 59 CO 0.07 0.81 -0.38 1.03 -2.18 0.00 0.00 179.01 178.36 1ozi h SER 60 N 0.03 0.55 1.43 1.04 0.87 -1.73 -2.64 113.55 113.10 1ozi h SER 60 Ca 0.02 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1ozi h SER 60 Cb 0.76 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1ozi h SER 60 CO 0.05 1.06 0.00 -0.78 -0.53 0.00 0.00 176.83 176.62 1ozi h ASP 61 N 0.07 0.00 -5.55 6.23 3.58 -0.54 -3.48 116.42 116.73 1ozi h ASP 61 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1ozi h ASP 61 Cb 1.01 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.10 1ozi h ASP 61 CO 0.08 0.00 -0.29 0.61 -2.88 0.00 0.00 179.24 176.76 1ozi n GLY 62 N 0.56 -1.22 1.01 -0.78 0.00 -0.32 -4.98 105.19 99.45 1ozi n GLY 62 Ca 0.02 0.50 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.22 0.00 -3.06 1.61 5.12 -0.93 -5.04 116.66 112.15 1ozi n ARG 63 Ca -0.05 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.48 1ozi n ARG 63 Cb 0.54 -0.13 -0.06 0.00 -1.16 0.00 0.00 32.46 31.66 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 -1.25 4.49 0.47 0.55 1.01 -1.26 -5.07 121.20 120.14 1ozi s ILE 64 Ca -0.00 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.25 1ozi s ILE 64 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1ozi s ILE 64 CO 0.00 0.52 0.06 -1.00 0.00 0.00 0.00 174.94 174.53 1ozi s HIS 65 N -1.07 1.82 0.08 3.97 3.76 -1.26 -4.70 115.29 117.90 1ozi s HIS 65 Ca 0.34 -1.12 -0.31 0.00 -0.15 0.00 0.00 55.06 53.82 1ozi s HIS 65 Cb -0.22 -1.39 -0.07 0.00 1.11 0.00 0.00 32.58 32.01 1ozi s HIS 65 CO 0.24 -0.03 1.31 0.15 -0.85 0.00 0.00 174.74 175.57 1ozi s LYS 66 N -3.79 4.36 0.00 1.40 1.02 -1.26 -2.64 119.74 118.82 1ozi s LYS 66 Ca 0.14 1.94 0.00 0.00 0.02 0.00 0.00 55.97 58.07 1ozi s LYS 66 Cb 0.02 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1ozi s LYS 66 CO 0.08 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 1ozi n GLY 67 N 3.40 1.92 3.76 -3.33 0.00 0.25 -4.42 105.19 106.77 1ozi n GLY 67 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.55 6.61 -0.11 1.61 1.01 -1.08 -3.96 116.67 119.20 1ozi s ASP 68 Ca 0.00 2.78 -0.20 0.00 0.71 0.00 0.00 52.55 55.84 1ozi s ASP 68 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1ozi s ASP 68 CO 0.00 -0.69 0.54 -0.60 0.21 0.00 0.00 175.17 174.63 1ozi s ARG 69 N -1.30 4.35 -0.50 8.23 3.52 -0.43 -1.33 118.95 131.49 1ozi s ARG 69 Ca 0.54 0.56 -0.17 0.00 -0.13 0.00 0.00 55.73 56.53 1ozi s ARG 69 Cb -0.42 -3.45 0.07 0.00 -1.56 0.00 0.00 34.95 29.59 1ozi s ARG 69 CO 0.52 0.10 0.53 0.08 -0.81 0.00 0.00 175.30 175.72 1ozi s VAL 70 N 0.78 5.04 0.06 7.11 1.01 0.17 -1.34 120.40 133.23 1ozi s VAL 70 Ca 0.29 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1ozi s VAL 70 Cb -0.16 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.67 1ozi s VAL 70 CO 0.12 -0.76 1.10 -0.07 0.00 0.00 0.00 175.10 175.50 1ozi h LEU 71 N 9.30 0.85 -7.71 3.92 3.38 -0.49 -3.18 115.31 121.37 1ozi h LEU 71 Ca -0.28 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 56.92 1ozi h LEU 71 Cb 1.10 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 1ozi h LEU 71 CO 0.95 1.60 0.19 0.00 0.09 0.00 0.00 178.44 181.27 1ozi s ALA 72 N -2.94 -1.24 -0.39 1.53 0.00 -0.65 -3.07 121.76 115.00 1ozi s ALA 72 Ca -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1ozi s ALA 72 Cb 0.06 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.15 1ozi s ALA 72 CO 0.93 -0.93 0.12 0.08 0.00 0.00 0.00 175.76 175.96 1ozi s VAL 73 N -3.87 2.49 -1.09 0.00 1.01 0.15 0.61 120.40 119.70 1ozi s VAL 73 Ca 0.09 -2.53 -0.14 0.00 0.00 0.00 0.00 61.98 59.39 1ozi s VAL 73 Cb -0.04 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ozi s VAL 73 CO 0.01 -0.66 0.84 -3.20 0.00 0.00 0.00 175.10 172.09 1ozi n ASN 74 N 4.03 -5.95 0.00 3.32 5.15 0.15 -1.62 115.26 120.33 1ozi n ASN 74 Ca 0.04 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 1ozi n ASN 74 Cb 0.40 -4.17 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 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 -1.50 1.66 3.59 8.20 0.00 -1.26 -4.94 105.19 110.94 1ozi n GLY 75 Ca -0.08 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.08 3.62 0.20 1.61 1.01 -0.64 -4.88 120.40 121.24 1ozi s VAL 76 Ca 0.00 0.61 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 1ozi s VAL 76 Cb 0.00 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 1ozi s VAL 76 CO 0.00 -0.61 0.73 -0.44 0.00 0.00 0.00 175.10 174.78 1ozi s SER 77 N 5.48 7.16 -0.29 3.32 0.01 -1.26 0.32 113.70 128.44 1ozi s SER 77 Ca 0.71 1.48 0.11 0.00 1.31 0.00 0.00 55.95 59.56 1ozi s SER 77 Cb -0.18 -2.44 0.75 0.00 0.21 0.00 0.00 66.02 64.36 1ozi s SER 77 CO 0.32 0.10 1.76 0.18 0.41 0.00 0.00 173.24 176.01 1ozi n LEU 78 N 1.05 5.90 0.27 2.44 7.99 -1.17 -4.57 117.00 128.91 1ozi n LEU 78 Ca -0.04 -3.05 0.15 0.00 -0.01 0.00 0.00 56.01 53.07 1ozi n LEU 78 Cb 0.50 -0.73 0.73 0.00 -0.11 0.00 0.00 43.42 43.82 1ozi n LEU 78 CO 0.44 0.74 0.98 -0.33 -1.51 0.00 0.00 177.39 177.70 1ozi h GLU 79 N 3.00 0.00 -0.14 3.23 5.08 -1.67 -0.69 114.58 123.40 1ozi h GLU 79 Ca 0.18 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1ozi h GLU 79 Cb 2.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.42 1ozi h GLU 79 CO 0.66 0.08 -0.17 0.41 -1.00 0.00 0.00 179.01 178.99 1ozi n GLY 80 N -0.32 4.83 0.81 -3.84 0.00 -1.26 -4.45 105.19 100.95 1ozi n GLY 80 Ca -0.01 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.11 0.21 -2.65 4.61 0.00 -0.26 -5.14 120.51 116.16 1ozi n ALA 81 Ca 0.23 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 53.05 1ozi n ALA 81 Cb 0.81 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.37 1ozi n ALA 81 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ozi s THR 82 N -0.25 0.00 0.14 0.00 -1.32 -1.26 -4.96 115.64 107.99 1ozi s THR 82 Ca 0.09 -1.75 -0.27 0.00 -1.21 0.00 0.00 61.69 58.55 1ozi s THR 82 Cb -0.01 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1ozi s THR 82 CO 0.06 0.00 1.60 -0.74 -2.21 0.00 0.00 174.62 173.32 1ozi h HIS 83 N 2.12 -1.03 0.00 9.09 2.76 -1.92 0.93 115.15 127.10 1ozi h HIS 83 Ca -0.27 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 57.92 1ozi h HIS 83 Cb 1.24 0.47 -0.00 0.00 1.55 0.00 0.00 27.41 30.67 1ozi h HIS 83 CO 1.58 -0.43 -0.13 0.87 -1.30 0.00 0.00 177.93 178.52 1ozi h LYS 84 N -0.43 0.00 0.02 5.26 1.79 -1.98 -0.51 116.57 120.73 1ozi h LYS 84 Ca 0.09 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.42 1ozi h LYS 84 Cb 0.58 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1ozi h LYS 84 CO -0.39 0.13 -0.57 1.96 -1.08 0.00 0.00 179.45 179.50 1ozi h GLN 85 N 0.00 0.35 0.32 3.15 1.08 -1.65 -1.35 115.11 117.01 1ozi h GLN 85 Ca -0.00 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 56.79 1ozi h GLN 85 Cb 0.36 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1ozi h GLN 85 CO 0.02 1.10 -0.23 0.00 -0.95 0.00 0.00 178.83 178.77 1ozi h ALA 86 N 0.27 -0.53 0.00 3.87 0.00 -0.27 -0.93 119.26 121.66 1ozi h ALA 86 Ca -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1ozi h ALA 86 Cb 1.32 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1ozi h ALA 86 CO 0.11 -0.82 -0.18 0.28 0.00 0.00 0.00 179.25 178.65 1ozi h VAL 87 N -0.54 0.90 -0.15 0.00 2.07 -1.20 -0.74 116.25 116.58 1ozi h VAL 87 Ca -0.03 -0.66 -0.15 0.00 0.82 0.00 0.00 66.70 66.69 1ozi h VAL 87 Cb 0.47 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1ozi h VAL 87 CO 0.00 0.17 -0.53 -0.08 0.02 0.00 0.00 177.57 177.16 1ozi h GLU 88 N 0.00 0.43 -0.02 1.57 4.81 -0.73 0.16 114.58 120.80 1ozi h GLU 88 Ca -0.00 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1ozi h GLU 88 Cb 0.37 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1ozi h GLU 88 CO 0.02 0.85 -0.57 1.15 -0.73 0.00 0.00 179.01 179.73 1ozi h THR 89 N 0.34 1.40 0.00 0.32 2.02 0.03 0.10 112.91 117.11 1ozi h THR 89 Ca 0.01 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1ozi h THR 89 Cb 1.03 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1ozi h THR 89 CO 0.09 0.56 0.00 0.18 0.37 0.00 0.00 175.52 176.72 1ozi n LEU 90 N -3.87 0.37 -0.04 2.58 4.77 -0.40 -1.97 117.00 118.44 1ozi n LEU 90 Ca -0.01 0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1ozi n LEU 90 Cb 0.58 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 1ozi n LEU 90 CO 0.42 -0.19 -0.74 0.54 -1.33 0.00 0.00 177.39 176.09 1ozi n ARG 91 N -1.86 0.66 -0.17 3.23 5.12 0.48 -4.15 116.66 119.96 1ozi n ARG 91 Ca 0.05 0.22 -0.06 0.00 -1.93 0.00 0.00 57.85 56.13 1ozi n ARG 91 Cb 0.32 -1.71 0.11 0.00 -1.16 0.00 0.00 32.46 30.03 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 1ozi h ASN 92 N 0.01 0.91 -3.98 0.55 -0.73 -0.55 -3.42 115.58 108.36 1ozi h ASN 92 Ca -0.38 -0.21 -0.48 0.00 1.87 0.00 0.00 56.30 57.10 1ozi h ASN 92 Cb 2.07 -0.24 0.03 0.00 0.27 0.00 0.00 38.32 40.44 1ozi h ASN 92 CO 0.06 0.93 0.42 0.42 -0.37 0.00 0.00 177.43 178.89 1ozi s THR 93 N -5.11 3.64 0.00 -3.57 -4.23 -0.83 -5.05 115.64 100.48 1ozi s THR 93 Ca -0.11 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1ozi s THR 93 Cb 0.15 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1ozi s THR 93 CO 0.83 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 1ozi n GLY 94 N 0.31 0.70 0.07 3.99 0.00 -1.26 -4.89 105.19 104.11 1ozi n GLY 94 Ca 0.06 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 0.06 -4.71 1.61 4.15 -1.95 -3.40 115.11 110.87 1ozi h GLN 95 Ca 0.00 -0.04 -0.69 0.00 0.77 0.00 0.00 58.65 58.69 1ozi h GLN 95 Cb 0.00 0.01 -0.19 0.00 0.21 0.00 0.00 27.48 27.51 1ozi h GLN 95 CO 0.00 0.68 -0.38 0.08 -1.93 0.00 0.00 178.83 177.28 1ozi s VAL 96 N -3.65 5.22 -0.09 2.39 1.01 -1.26 -0.03 120.40 123.99 1ozi s VAL 96 Ca -0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1ozi s VAL 96 Cb 0.01 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ozi s VAL 96 CO 0.69 -0.19 -0.03 -0.69 0.00 0.00 0.00 175.10 174.88 1ozi s VAL 97 N 1.83 4.03 -0.17 2.92 1.01 0.44 -4.91 120.40 125.56 1ozi s VAL 97 Ca 0.08 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 1ozi s VAL 97 Cb -0.18 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1ozi s VAL 97 CO 0.11 0.58 0.30 -1.00 0.00 0.00 0.00 175.10 175.09 1ozi s HIS 98 N -0.60 3.45 0.01 5.22 3.76 -1.25 0.02 115.29 125.89 1ozi s HIS 98 Ca 0.09 0.59 0.06 0.00 -0.15 0.00 0.00 55.06 55.65 1ozi s HIS 98 Cb -0.12 -2.36 -0.02 0.00 1.11 0.00 0.00 32.58 31.20 1ozi s HIS 98 CO 0.02 0.21 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.44 1ozi s LEU 99 N 0.57 2.08 -0.36 0.89 1.02 0.76 0.30 118.68 123.93 1ozi s LEU 99 Ca 0.17 -0.37 -0.14 0.00 0.02 0.00 0.00 54.13 53.81 1ozi s LEU 99 Cb -0.13 -0.84 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 1ozi s LEU 99 CO 0.04 0.17 0.27 -0.22 0.02 0.00 0.00 176.35 176.63 1ozi s LEU 100 N -0.66 4.68 0.24 1.79 0.20 0.20 -0.09 118.68 125.05 1ozi s LEU 100 Ca 0.06 -0.55 0.06 0.00 0.69 0.00 0.00 54.13 54.40 1ozi s LEU 100 Cb -0.07 -2.16 -0.05 0.00 -0.43 0.00 0.00 46.19 43.48 1ozi s LEU 100 CO 0.00 -0.31 -0.08 -0.76 -0.29 0.00 0.00 176.35 174.92 1ozi s LEU 101 N 1.74 2.46 -0.06 -0.68 1.02 -0.48 0.17 118.68 122.84 1ozi s LEU 101 Ca 0.06 -1.13 0.01 0.00 0.02 0.00 0.00 54.13 53.10 1ozi s LEU 101 Cb -0.18 -0.56 0.02 0.00 0.02 0.00 0.00 46.19 45.49 1ozi s LEU 101 CO 0.11 -0.32 -0.09 -0.70 0.02 0.00 0.00 176.35 175.37 1ozi s GLU 102 N -3.73 1.34 -0.32 1.70 2.12 -0.45 0.15 118.70 119.52 1ozi s GLU 102 Ca 0.26 -0.28 -0.37 0.00 0.36 0.00 0.00 54.97 54.95 1ozi s GLU 102 Cb 0.03 -1.20 -0.13 0.00 0.26 0.00 0.00 34.13 33.08 1ozi s GLU 102 CO 0.09 -0.05 2.06 1.17 -0.54 0.00 0.00 175.26 177.99 1ozi n LYS 103 N 4.02 1.12 -0.23 4.30 3.00 0.19 -1.31 118.16 129.25 1ozi n LYS 103 Ca -0.22 0.35 0.08 0.00 -0.00 0.00 0.00 58.31 58.51 1ozi n LYS 103 Cb 0.51 -2.33 0.18 0.00 0.00 0.00 0.00 35.03 33.39 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 5.90 4.19 3.59 3.14 0.00 -1.25 0.37 105.19 121.13 1ozi n GLY 104 Ca 0.37 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1ozi n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ozi s GLN 105 N -2.54 2.94 -0.52 1.61 -0.21 -1.26 -4.30 119.66 115.39 1ozi s GLN 105 Ca 0.33 1.60 -0.20 0.00 0.02 0.00 0.00 55.36 57.11 1ozi s GLN 105 Cb 0.27 -4.37 0.06 0.00 1.00 0.00 0.00 33.01 29.97 1ozi s GLN 105 CO 0.06 -2.32 0.70 0.08 -2.12 0.00 0.00 175.29 171.68 1ozi s VAL 106 N 8.74 4.77 -2.00 1.09 1.01 -1.26 -4.94 120.40 127.80 1ozi s VAL 106 Ca 0.91 -0.35 0.31 0.00 0.00 0.00 0.00 61.98 62.84 1ozi s VAL 106 Cb -0.25 -4.36 0.87 0.00 0.00 0.00 0.00 36.38 32.64 1ozi s VAL 106 CO 0.32 -0.89 2.15 -2.65 0.00 0.00 0.00 175.10 174.03