#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi n PRO 10 N 0.00 1.51 0.00 1.97 -0.02 -1.26 -0.59 135.00 136.61 1ozi n PRO 10 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1ozi n PRO 10 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1ozi n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ozi n GLY 11 N 3.04 1.94 3.72 -1.23 0.00 0.65 -4.89 105.19 108.41 1ozi n GLY 11 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1ozi n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozi s ASP 12 N -1.46 7.09 -0.06 1.61 -1.08 0.24 -4.67 116.67 118.34 1ozi s ASP 12 Ca 0.00 2.07 -0.18 0.00 -0.52 0.00 0.00 52.55 53.92 1ozi s ASP 12 Cb 0.00 -2.59 -0.05 0.00 -1.46 0.00 0.00 42.92 38.82 1ozi s ASP 12 CO 0.00 -0.43 0.50 0.42 0.52 0.00 0.00 175.17 176.18 1ozi s THR 13 N 0.71 5.07 0.00 1.71 -4.23 -1.26 -1.05 115.64 116.59 1ozi s THR 13 Ca 0.57 1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 62.04 1ozi s THR 13 Cb -0.30 -3.83 -0.00 0.00 1.34 0.00 0.00 72.50 69.70 1ozi s THR 13 CO 0.31 0.40 0.11 0.72 -0.54 0.00 0.00 174.62 175.63 1ozi s PHE 14 N 0.05 0.06 -0.27 3.99 -0.12 0.87 -4.97 117.98 117.58 1ozi s PHE 14 Ca 0.27 -0.16 -0.08 0.00 -0.05 0.00 0.00 56.93 56.91 1ozi s PHE 14 Cb -0.16 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.15 1ozi s PHE 14 CO 0.13 -0.26 0.09 -1.21 -0.05 0.00 0.00 175.22 173.92 1ozi s GLU 15 N -1.29 3.45 -0.34 1.99 2.02 -1.26 -0.58 118.70 122.68 1ozi s GLU 15 Ca -0.14 -0.62 -0.23 0.00 0.02 0.00 0.00 54.97 54.00 1ozi s GLU 15 Cb -0.08 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1ozi s GLU 15 CO 0.01 -0.30 0.76 0.14 0.02 0.00 0.00 175.26 175.89 1ozi s VAL 16 N 1.59 4.79 -0.82 2.63 -7.23 -0.33 -4.90 120.40 116.13 1ozi s VAL 16 Ca 0.05 0.95 -0.15 0.00 -1.81 0.00 0.00 61.98 61.02 1ozi s VAL 16 Cb -0.16 -4.16 0.19 0.00 0.56 0.00 0.00 36.38 32.81 1ozi s VAL 16 CO 0.04 -0.33 0.82 -0.70 -0.31 0.00 0.00 175.10 174.62 1ozi s GLU 17 N 2.97 3.53 -0.28 4.82 2.12 -1.26 -1.25 118.70 129.35 1ozi s GLU 17 Ca 0.30 -2.20 -0.11 0.00 0.36 0.00 0.00 54.97 53.33 1ozi s GLU 17 Cb -0.14 -4.51 -0.05 0.00 0.26 0.00 0.00 34.13 29.69 1ozi s GLU 17 CO 0.15 -1.41 0.18 -1.17 -0.54 0.00 0.00 175.26 172.47 1ozi s LEU 18 N 0.93 3.99 -0.19 2.70 1.98 0.93 -4.90 118.68 124.11 1ozi s LEU 18 Ca 0.20 -0.06 -0.21 0.00 -2.89 0.00 0.00 54.13 51.17 1ozi s LEU 18 Cb -0.11 -2.10 -0.03 0.00 0.66 0.00 0.00 46.19 44.61 1ozi s LEU 18 CO -0.07 -0.06 0.61 0.00 -1.89 0.00 0.00 176.35 174.94 1ozi s ALA 19 N 1.74 3.53 0.44 5.97 0.00 -1.26 -0.23 121.76 131.96 1ozi s ALA 19 Ca 0.07 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 1ozi s ALA 19 Cb -0.16 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1ozi s ALA 19 CO 0.10 -0.50 1.29 0.15 0.00 0.00 0.00 175.76 176.80 1ozi s LYS 20 N 1.78 3.76 0.20 0.00 1.02 0.17 -4.64 119.74 122.03 1ozi s LYS 20 Ca 0.28 2.10 -0.10 0.00 0.02 0.00 0.00 55.97 58.27 1ozi s LYS 20 Cb -0.16 -2.59 0.13 0.00 -0.52 0.00 0.00 37.83 34.69 1ozi s LYS 20 CO 0.11 -0.64 1.80 1.15 -0.92 0.00 0.00 175.35 176.85 1ozi h THR 21 N 2.15 1.22 0.00 2.17 2.02 -1.71 -3.45 112.91 115.32 1ozi h THR 21 Ca -0.50 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1ozi h THR 21 Cb 1.26 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1ozi h THR 21 CO 0.61 0.25 0.00 -0.67 0.37 0.00 0.00 175.52 176.08 1ozi n ASP 22 N -4.47 0.00 0.00 4.18 2.03 -1.26 -4.99 116.55 112.04 1ozi n ASP 22 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1ozi n ASP 22 Cb 0.11 0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -1.42 1.00 3.14 0.27 0.00 -1.26 -4.99 105.19 101.92 1ozi n GLY 23 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 1.38 0.16 1.61 0.01 -1.26 -4.97 113.70 110.63 1ozi s SER 24 Ca 0.00 -0.62 -0.15 0.00 1.31 0.00 0.00 55.95 56.50 1ozi s SER 24 Cb 0.00 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.14 1ozi s SER 24 CO 0.00 -0.14 0.57 -0.76 0.41 0.00 0.00 173.24 173.32 1ozi s LEU 25 N -1.77 4.32 -0.45 2.44 1.43 -1.26 -3.11 118.68 120.28 1ozi s LEU 25 Ca -0.04 1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 54.11 1ozi s LEU 25 Cb -0.09 -3.35 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 1ozi s LEU 25 CO 0.01 0.08 3.14 0.61 0.23 0.00 0.00 176.35 180.42 1ozi n GLY 26 N 0.71 3.82 2.92 -3.19 0.00 -1.26 -4.82 105.19 103.36 1ozi n GLY 26 Ca -0.04 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.26 0.02 -0.02 -0.61 -4.36 -1.26 0.17 121.20 114.88 1ozi s ILE 27 Ca 0.63 -0.20 0.06 0.00 -0.26 0.00 0.00 60.65 60.88 1ozi s ILE 27 Cb 0.32 -0.09 -0.02 0.00 1.25 0.00 0.00 42.46 43.91 1ozi s ILE 27 CO -0.10 -0.11 -0.21 -0.55 0.24 0.00 0.00 174.94 174.21 1ozi s SER 28 N -0.32 3.48 0.07 4.36 0.15 0.02 -4.92 113.70 116.55 1ozi s SER 28 Ca -0.04 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.31 1ozi s SER 28 Cb -0.02 -0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1ozi s SER 28 CO -0.00 0.32 -0.19 0.68 1.20 0.00 0.00 173.24 175.24 1ozi s VAL 29 N -0.71 1.55 0.25 4.45 -7.23 -1.26 0.31 120.40 117.76 1ozi s VAL 29 Ca 0.11 -1.34 0.11 0.00 -1.81 0.00 0.00 61.98 59.05 1ozi s VAL 29 Cb -0.10 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1ozi s VAL 29 CO 0.00 0.01 -0.18 0.28 -0.31 0.00 0.00 175.10 174.90 1ozi s THR 30 N -1.03 2.61 -0.15 5.32 -1.32 0.12 -4.74 115.64 116.45 1ozi s THR 30 Ca 0.05 -2.22 -0.01 0.00 -1.21 0.00 0.00 61.69 58.30 1ozi s THR 30 Cb -0.09 -2.34 -0.01 0.00 -1.51 0.00 0.00 72.50 68.54 1ozi s THR 30 CO 0.03 -0.31 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.32 1ozi s VAL 31 N -2.24 3.05 -0.32 5.08 1.01 -1.26 0.30 120.40 126.02 1ozi s VAL 31 Ca 0.28 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1ozi s VAL 31 Cb -0.06 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 34.09 1ozi s VAL 31 CO 0.14 0.51 0.02 -0.76 0.00 0.00 0.00 175.10 175.01 1ozi s LEU 32 N 0.60 4.17 0.19 3.92 1.02 0.11 -4.98 118.68 123.70 1ozi s LEU 32 Ca -0.07 -1.54 -0.30 0.00 0.02 0.00 0.00 54.13 52.23 1ozi s LEU 32 Cb -0.15 -1.69 -0.09 0.00 0.02 0.00 0.00 46.19 44.28 1ozi s LEU 32 CO 0.03 -0.31 1.28 0.12 0.02 0.00 0.00 176.35 177.49 1ozi s PHE 33 N 1.16 3.30 0.24 0.29 5.36 -1.26 -4.68 117.98 122.38 1ozi s PHE 33 Ca -0.01 1.28 -0.30 0.00 -0.96 0.00 0.00 56.93 56.93 1ozi s PHE 33 Cb -0.20 -3.56 -0.10 0.00 -0.34 0.00 0.00 43.02 38.82 1ozi s PHE 33 CO -0.03 -1.70 1.42 0.34 -1.46 0.00 0.00 175.22 173.79 1ozi s ASP 34 N 0.29 6.69 0.00 6.13 2.15 -1.26 -4.93 116.67 125.73 1ozi s ASP 34 Ca 0.56 2.62 0.07 0.00 0.43 0.00 0.00 52.55 56.23 1ozi s ASP 34 Cb -0.35 -2.62 0.08 0.00 -0.30 0.00 0.00 42.92 39.73 1ozi s ASP 34 CO 0.38 -0.68 0.81 0.29 -0.17 0.00 0.00 175.17 175.79 1ozi n LYS 35 N 2.45 0.54 -2.43 4.34 5.02 -1.26 -4.91 118.16 121.91 1ozi n LYS 35 Ca 0.07 -1.10 -0.38 0.00 -2.02 0.00 0.00 58.31 54.88 1ozi n LYS 35 Cb 0.41 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.25 1ozi n LYS 35 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ozi s GLY 36 N -0.66 1.14 0.00 0.72 0.00 -1.26 -4.71 107.32 102.54 1ozi s GLY 36 Ca 0.09 -2.48 0.25 0.00 0.00 0.00 0.00 44.72 42.59 1ozi s GLY 36 CO 0.09 2.94 1.38 0.61 0.00 0.00 0.00 173.10 178.12 1ozi n GLY 37 N 6.00 -0.74 0.38 0.20 0.00 -1.26 -3.99 105.19 105.78 1ozi n GLY 37 Ca 0.43 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1ozi n GLY 37 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ozi h VAL 38 N 0.92 0.00 0.00 1.61 2.07 -2.04 -3.47 116.25 115.34 1ozi h VAL 38 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ozi h VAL 38 Cb 0.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1ozi h VAL 38 CO 0.00 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.39 1ozi n ASN 39 N -5.37 -0.02 -4.62 0.57 5.15 -1.26 -5.08 115.26 104.62 1ozi n ASN 39 Ca -0.11 0.01 -0.43 0.00 -0.60 0.00 0.00 54.58 53.44 1ozi n ASN 39 Cb 0.36 0.37 -0.02 0.00 -0.53 0.00 0.00 39.78 39.96 1ozi n ASN 39 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1ozi s THR 40 N -2.00 4.13 -0.03 -0.44 -4.23 -1.26 -5.00 115.64 106.81 1ozi s THR 40 Ca 0.00 1.24 0.07 0.00 -1.18 0.00 0.00 61.69 61.82 1ozi s THR 40 Cb 0.00 -4.23 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 1ozi s THR 40 CO 0.00 -0.59 -0.23 -0.44 -0.54 0.00 0.00 174.62 172.83 1ozi s SER 41 N 2.89 3.34 -0.94 3.99 0.01 -1.26 -4.36 113.70 117.38 1ozi s SER 41 Ca 0.55 -0.39 -0.24 0.00 1.31 0.00 0.00 55.95 57.18 1ozi s SER 41 Cb -0.15 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.63 1ozi s SER 41 CO 0.25 0.33 1.43 0.68 0.41 0.00 0.00 173.24 176.34 1ozi s VAL 42 N -0.65 3.84 0.49 3.43 -7.23 -1.26 -4.96 120.40 114.06 1ozi s VAL 42 Ca 0.11 -0.42 0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1ozi s VAL 42 Cb -0.10 -4.96 0.03 0.00 0.56 0.00 0.00 36.38 31.91 1ozi s VAL 42 CO -0.00 -1.86 0.68 -0.13 -0.31 0.00 0.00 175.10 173.48 1ozi s ARG 43 N 5.30 2.62 -0.07 4.82 0.52 -1.26 -4.60 118.95 126.28 1ozi s ARG 43 Ca 0.45 -1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1ozi s ARG 43 Cb -0.03 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.81 1ozi s ARG 43 CO -0.03 -0.54 0.04 0.72 0.02 0.00 0.00 175.30 175.52 1ozi n HIS 44 N -2.10 -1.24 0.00 -0.53 8.25 -1.26 -4.53 115.22 113.81 1ozi n HIS 44 Ca 0.09 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1ozi n HIS 44 Cb 0.60 -2.21 0.00 0.00 1.12 0.00 0.00 29.99 29.49 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 0.37 2.05 2.26 -1.41 0.00 -1.13 -3.97 105.19 103.36 1ozi n GLY 45 Ca -0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 0.98 3.74 -0.02 0.00 -1.25 -4.48 105.19 104.16 1ozi n GLY 46 Ca 0.00 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.26 5.19 -0.11 -0.61 -1.09 -1.21 0.04 121.20 121.14 1ozi s ILE 47 Ca 0.00 0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1ozi s ILE 47 Cb 0.00 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1ozi s ILE 47 CO 0.00 0.51 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.83 1ozi s TYR 48 N -0.11 1.52 -0.35 3.97 1.51 0.15 0.56 117.35 124.60 1ozi s TYR 48 Ca 0.09 -0.76 -0.39 0.00 -1.01 0.00 0.00 57.07 55.00 1ozi s TYR 48 Cb -0.12 -1.25 -0.14 0.00 -0.11 0.00 0.00 41.96 40.34 1ozi s TYR 48 CO 0.00 -0.52 2.03 0.28 -1.11 0.00 0.00 175.55 176.24 1ozi n VAL 49 N 4.90 0.19 0.04 0.71 0.31 -0.55 0.10 118.33 124.04 1ozi n VAL 49 Ca -0.13 -0.14 -0.19 0.00 -0.01 0.00 0.00 64.34 63.87 1ozi n VAL 49 Cb 0.50 -1.28 -0.14 0.00 -0.91 0.00 0.00 33.84 32.01 1ozi n VAL 49 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ozi h LYS 50 N 9.96 0.28 -3.00 5.55 3.64 -0.44 0.15 116.57 132.71 1ozi h LYS 50 Ca -0.31 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 58.50 1ozi h LYS 50 Cb 1.34 0.18 -0.19 0.00 -0.41 0.00 0.00 32.23 33.14 1ozi h LYS 50 CO 1.01 1.15 -0.21 0.00 -2.27 0.00 0.00 179.45 179.13 1ozi s ALA 51 N -2.58 -0.87 -0.16 5.00 0.00 -0.86 -4.77 121.76 117.51 1ozi s ALA 51 Ca -0.15 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1ozi s ALA 51 Cb 0.06 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1ozi s ALA 51 CO 0.82 -0.32 -0.04 0.42 0.00 0.00 0.00 175.76 176.65 1ozi s ILE 52 N -1.68 3.83 -0.17 0.00 -1.09 -1.26 -0.80 121.20 120.04 1ozi s ILE 52 Ca -0.11 -0.37 -0.08 0.00 -2.23 0.00 0.00 60.65 57.85 1ozi s ILE 52 Cb -0.03 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 1ozi s ILE 52 CO 0.03 0.48 0.12 -0.63 -1.23 0.00 0.00 174.94 173.70 1ozi s ILE 53 N 0.52 5.29 0.00 2.92 1.09 0.13 -4.96 121.20 126.18 1ozi s ILE 53 Ca -0.03 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.66 1ozi s ILE 53 Cb -0.14 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 1ozi s ILE 53 CO 0.03 0.51 0.12 -2.65 -0.10 0.00 0.00 174.94 172.85 1ozi n PRO 54 N 2.98 0.00 0.00 2.79 -0.02 -1.26 -3.79 135.00 135.69 1ozi n PRO 54 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1ozi n PRO 54 Cb 0.53 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 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 -0.17 0.00 0.00 -0.52 3.00 -1.26 -1.14 118.16 118.07 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 -5.06 105.19 102.01 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 0.06 -0.11 4.61 0.00 -0.29 -4.19 120.51 120.59 1ozi n ALA 57 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ozi n ALA 57 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.73 0.00 0.00 0.00 -1.72 0.12 119.26 119.39 1ozi h ALA 58 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 1ozi h ALA 58 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1ozi h ALA 58 CO 0.00 0.66 -1.26 1.49 0.00 0.00 0.00 179.25 180.14 1ozi h GLU 59 N 0.73 0.00 -0.09 0.00 4.81 -1.76 -0.75 114.58 117.50 1ozi h GLU 59 Ca 0.08 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1ozi h GLU 59 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1ozi h GLU 59 CO 0.07 0.73 -0.23 0.77 -0.73 0.00 0.00 179.01 179.62 1ozi h SER 60 N 0.00 0.37 1.37 1.04 0.02 -1.73 -3.09 113.55 111.53 1ozi h SER 60 Ca -0.12 -0.58 -0.10 0.00 -0.84 0.00 0.00 61.79 60.14 1ozi h SER 60 Cb 1.83 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 64.24 1ozi h SER 60 CO 0.10 0.88 -0.65 -0.78 -1.14 0.00 0.00 176.83 175.24 1ozi h ASP 61 N -0.13 0.00 -3.95 3.07 3.58 -1.11 -3.49 116.42 114.40 1ozi h ASP 61 Ca -0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1ozi h ASP 61 Cb 0.84 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.97 1ozi h ASP 61 CO 0.05 0.43 -0.40 0.61 -2.88 0.00 0.00 179.24 177.05 1ozi n GLY 62 N 1.24 -0.01 0.13 -0.78 0.00 -0.33 -4.97 105.19 100.47 1ozi n GLY 62 Ca -0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.49 0.61 -4.74 1.61 5.12 -0.93 -4.98 116.66 110.87 1ozi n ARG 63 Ca -0.11 0.25 -0.33 0.00 -1.93 0.00 0.00 57.85 55.74 1ozi n ARG 63 Cb 0.58 -1.52 -0.12 0.00 -1.16 0.00 0.00 32.46 30.23 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 -2.50 3.30 0.09 0.55 1.01 -1.25 -5.03 121.20 117.37 1ozi s ILE 64 Ca -0.37 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1ozi s ILE 64 Cb 0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1ozi s ILE 64 CO 0.54 0.55 -0.09 -2.28 0.00 0.00 0.00 174.94 173.65 1ozi s HIS 65 N -0.80 0.97 0.43 3.97 2.46 -1.26 -4.58 115.29 116.49 1ozi s HIS 65 Ca 0.13 -0.66 -0.25 0.00 0.47 0.00 0.00 55.06 54.75 1ozi s HIS 65 Cb -0.11 -0.54 -0.08 0.00 -0.13 0.00 0.00 32.58 31.72 1ozi s HIS 65 CO 0.02 -0.03 1.25 -1.59 -2.47 0.00 0.00 174.74 171.92 1ozi s LYS 66 N -2.70 3.83 0.00 2.88 0.00 -1.26 -3.06 119.74 119.43 1ozi s LYS 66 Ca 0.03 2.02 0.00 0.00 0.00 0.00 0.00 55.97 58.02 1ozi s LYS 66 Cb -0.03 -2.60 0.00 0.00 0.00 0.00 0.00 37.83 35.20 1ozi s LYS 66 CO -0.01 -0.56 0.00 0.41 0.00 0.00 0.00 175.35 175.19 1ozi n GLY 67 N 0.62 2.15 3.78 0.59 0.00 0.52 -4.95 105.19 107.90 1ozi n GLY 67 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.59 7.32 0.00 1.61 1.01 -1.17 -1.79 116.67 122.06 1ozi s ASP 68 Ca 0.00 1.81 -0.18 0.00 0.71 0.00 0.00 52.55 54.89 1ozi s ASP 68 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1ozi s ASP 68 CO 0.00 -0.07 0.51 -0.60 0.21 0.00 0.00 175.17 175.22 1ozi s ARG 69 N -2.07 4.16 -0.37 8.23 3.52 -0.90 -1.47 118.95 130.04 1ozi s ARG 69 Ca 0.50 0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 56.55 1ozi s ARG 69 Cb -0.18 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1ozi s ARG 69 CO 0.23 0.52 0.25 0.08 -0.81 0.00 0.00 175.30 175.58 1ozi s VAL 70 N -0.63 5.09 -0.04 7.11 1.01 0.19 -1.26 120.40 131.87 1ozi s VAL 70 Ca 0.27 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1ozi s VAL 70 Cb -0.18 -3.74 -0.31 0.00 0.00 0.00 0.00 36.38 32.16 1ozi s VAL 70 CO 0.15 -0.16 0.69 -0.07 0.00 0.00 0.00 175.10 175.71 1ozi h LEU 71 N 8.52 0.60 -7.92 3.92 3.38 -0.27 -3.20 115.31 120.35 1ozi h LEU 71 Ca -0.29 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 56.88 1ozi h LEU 71 Cb 1.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1ozi h LEU 71 CO 0.68 1.75 0.38 0.00 0.09 0.00 0.00 178.44 181.34 1ozi s ALA 72 N -2.58 -1.24 -0.13 1.53 0.00 -0.84 -1.76 121.76 116.74 1ozi s ALA 72 Ca -0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1ozi s ALA 72 Cb 0.06 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1ozi s ALA 72 CO 0.86 -1.03 -0.05 0.08 0.00 0.00 0.00 175.76 175.62 1ozi s VAL 73 N -2.83 0.91 -1.41 0.00 1.01 -0.44 0.33 120.40 117.98 1ozi s VAL 73 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1ozi s VAL 73 Cb -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1ozi s VAL 73 CO 0.07 0.24 0.00 -3.20 0.00 0.00 0.00 175.10 172.21 1ozi n ASN 74 N 4.96 -4.70 0.00 3.32 2.85 0.19 -0.54 115.26 121.34 1ozi n ASN 74 Ca -0.11 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1ozi n ASN 74 Cb 0.49 -3.76 0.00 0.00 1.24 0.00 0.00 39.78 37.75 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ozi n GLY 75 N -1.03 1.72 3.51 8.20 0.00 -1.26 -4.99 105.19 111.33 1ozi n GLY 75 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.93 4.42 0.20 1.61 1.01 0.30 -4.99 120.40 120.02 1ozi s VAL 76 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.80 1ozi s VAL 76 Cb 0.00 -4.54 -0.11 0.00 0.00 0.00 0.00 36.38 31.73 1ozi s VAL 76 CO 0.00 -1.13 1.64 -0.44 0.00 0.00 0.00 175.10 175.17 1ozi s SER 77 N 2.93 6.47 -0.26 3.32 0.01 -1.26 -1.32 113.70 123.58 1ozi s SER 77 Ca 0.28 2.77 -0.01 0.00 1.31 0.00 0.00 55.95 60.30 1ozi s SER 77 Cb -0.14 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.65 1ozi s SER 77 CO 0.17 -0.90 2.07 0.18 0.41 0.00 0.00 173.24 175.18 1ozi n LEU 78 N 3.71 6.26 -4.61 2.44 4.77 -0.72 -4.88 117.00 123.97 1ozi n LEU 78 Ca 0.14 -3.17 -0.43 0.00 -0.03 0.00 0.00 56.01 52.51 1ozi n LEU 78 Cb 0.37 -1.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 1ozi n LEU 78 CO 0.63 1.22 1.15 -1.61 -1.33 0.00 0.00 177.39 177.45 1ozi s GLU 79 N -1.45 3.75 0.00 3.23 2.02 -1.26 -2.05 118.70 122.93 1ozi s GLU 79 Ca 0.27 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1ozi s GLU 79 Cb 0.21 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1ozi s GLU 79 CO -0.01 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.34 1ozi n GLY 80 N 4.69 0.89 4.03 -1.39 0.00 -1.26 -4.99 105.19 107.16 1ozi n GLY 80 Ca 0.15 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 4.65 0.36 4.61 0.00 -0.87 -5.05 121.76 123.29 1ozi s ALA 81 Ca 0.00 -2.08 -0.08 0.00 0.00 0.00 0.00 51.96 49.80 1ozi s ALA 81 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 23.12 21.65 1ozi s ALA 81 CO 0.00 -0.85 0.61 -2.37 0.00 0.00 0.00 175.76 173.16 1ozi n THR 82 N -2.24 0.00 -0.05 0.00 5.66 -1.26 -4.98 114.28 111.41 1ozi n THR 82 Ca 0.15 -1.39 -0.09 0.00 -3.05 0.00 0.00 64.05 59.67 1ozi n THR 82 Cb 0.61 1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 70.39 1ozi n THR 82 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1ozi h HIS 83 N 1.98 -0.80 -0.68 1.09 2.76 -1.93 0.99 115.15 118.57 1ozi h HIS 83 Ca -0.29 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 57.95 1ozi h HIS 83 Cb 1.18 0.39 -0.04 0.00 1.55 0.00 0.00 27.41 30.49 1ozi h HIS 83 CO 0.00 -0.36 0.41 -0.22 -1.30 0.00 0.00 177.93 176.46 1ozi h LYS 84 N -0.31 0.78 -0.13 5.26 3.64 -1.97 0.10 116.57 123.95 1ozi h LYS 84 Ca 0.13 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1ozi h LYS 84 Cb 0.51 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ozi h LYS 84 CO -0.41 0.52 -0.00 1.96 -2.27 0.00 0.00 179.45 179.25 1ozi h GLN 85 N 0.81 0.24 0.48 1.90 1.08 -1.68 0.13 115.11 118.06 1ozi h GLN 85 Ca 0.28 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1ozi h GLN 85 Cb 0.05 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1ozi h GLN 85 CO -0.12 0.47 -0.38 0.00 -0.95 0.00 0.00 178.83 177.85 1ozi h ALA 86 N 0.75 -0.89 -0.19 3.87 0.00 -0.59 -1.41 119.26 120.81 1ozi h ALA 86 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1ozi h ALA 86 Cb 0.37 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ozi h ALA 86 CO 0.01 -1.03 -0.11 0.28 0.00 0.00 0.00 179.25 178.39 1ozi h VAL 87 N -0.85 1.19 0.00 0.00 2.07 -0.71 -0.26 116.25 117.68 1ozi h VAL 87 Ca -0.05 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ozi h VAL 87 Cb 0.73 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1ozi h VAL 87 CO -0.01 0.26 0.00 -0.33 0.02 0.00 0.00 177.57 177.52 1ozi h GLU 88 N 0.29 0.00 0.02 1.57 4.39 -0.58 -0.75 114.58 119.52 1ozi h GLU 88 Ca 0.06 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.53 1ozi h GLU 88 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1ozi h GLU 88 CO 0.02 0.00 -0.98 1.15 -1.16 0.00 0.00 179.01 178.04 1ozi h THR 89 N 0.00 1.42 0.00 1.13 2.02 0.07 0.21 112.91 117.76 1ozi h THR 89 Ca 0.00 -2.54 -0.02 0.00 0.77 0.00 0.00 66.41 64.62 1ozi h THR 89 Cb 0.80 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1ozi h THR 89 CO 0.00 0.75 -0.11 -0.07 0.37 0.00 0.00 175.52 176.46 1ozi h LEU 90 N 0.20 0.00 0.02 2.58 4.07 -0.90 0.14 115.31 121.42 1ozi h LEU 90 Ca -0.09 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.62 1ozi h LEU 90 Cb 1.63 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.33 1ozi h LEU 90 CO 0.17 0.11 -1.36 -0.09 -1.08 0.00 0.00 178.44 176.18 1ozi h ARG 91 N 0.00 0.05 -0.27 1.13 2.43 -1.01 -3.35 114.38 113.36 1ozi h ARG 91 Ca -0.00 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1ozi h ARG 91 Cb 0.60 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1ozi h ARG 91 CO 0.01 0.83 -0.34 -0.97 -1.51 0.00 0.00 179.97 178.00 1ozi h ASN 92 N 0.01 0.77 -4.16 -3.80 -0.73 0.07 -3.44 115.58 104.31 1ozi h ASN 92 Ca -0.16 -0.50 -0.53 0.00 1.87 0.00 0.00 56.30 56.99 1ozi h ASN 92 Cb 1.91 -0.22 0.13 0.00 0.27 0.00 0.00 38.32 40.41 1ozi h ASN 92 CO 0.12 1.11 0.41 0.42 -0.37 0.00 0.00 177.43 179.12 1ozi s THR 93 N -4.26 2.63 0.00 -3.57 -4.23 0.38 -5.03 115.64 101.55 1ozi s THR 93 Ca -0.12 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1ozi s THR 93 Cb 0.09 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1ozi s THR 93 CO 0.84 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 1ozi n GLY 94 N 0.22 -2.01 0.24 3.99 0.00 -1.26 -4.92 105.19 101.45 1ozi n GLY 94 Ca 0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.77 1ozi n GLY 94 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ozi h GLN 95 N 0.00 0.53 -4.54 1.61 3.07 -1.94 -3.37 115.11 110.47 1ozi h GLN 95 Ca 0.00 -0.22 -0.71 0.00 0.09 0.00 0.00 58.65 57.81 1ozi h GLN 95 Cb 0.00 -0.02 -0.26 0.00 0.08 0.00 0.00 27.48 27.28 1ozi h GLN 95 CO 0.00 0.77 -0.50 0.08 0.09 0.00 0.00 178.83 179.27 1ozi s VAL 96 N -4.43 4.45 -0.16 1.86 1.01 -1.26 0.43 120.40 122.30 1ozi s VAL 96 Ca -0.07 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 1ozi s VAL 96 Cb 0.13 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1ozi s VAL 96 CO 0.80 -0.32 0.14 -0.69 0.00 0.00 0.00 175.10 175.03 1ozi s VAL 97 N 1.51 5.45 -0.19 2.92 1.01 0.68 -4.90 120.40 126.89 1ozi s VAL 97 Ca 0.02 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1ozi s VAL 97 Cb -0.20 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1ozi s VAL 97 CO 0.05 0.52 0.06 -1.00 0.00 0.00 0.00 175.10 174.73 1ozi s HIS 98 N -0.27 3.21 0.05 5.22 3.76 -1.25 -0.05 115.29 125.96 1ozi s HIS 98 Ca 0.11 -0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.08 1ozi s HIS 98 Cb -0.11 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 1ozi s HIS 98 CO 0.01 0.05 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.23 1ozi s LEU 99 N 0.60 2.18 -0.45 0.89 1.02 -0.38 0.54 118.68 123.08 1ozi s LEU 99 Ca 0.03 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.42 1ozi s LEU 99 Cb -0.13 -1.02 0.03 0.00 0.02 0.00 0.00 46.19 45.09 1ozi s LEU 99 CO 0.01 0.17 0.66 -0.22 0.02 0.00 0.00 176.35 176.99 1ozi s LEU 100 N -1.26 4.54 0.28 1.79 2.96 0.15 -1.18 118.68 125.96 1ozi s LEU 100 Ca 0.08 -0.42 0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1ozi s LEU 100 Cb -0.09 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 1ozi s LEU 100 CO 0.02 -0.82 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.34 1ozi s LEU 101 N 2.86 2.80 0.12 -0.68 1.02 0.25 0.32 118.68 125.36 1ozi s LEU 101 Ca 0.22 -0.91 0.04 0.00 0.02 0.00 0.00 54.13 53.51 1ozi s LEU 101 Cb -0.15 -1.30 -0.04 0.00 0.02 0.00 0.00 46.19 44.72 1ozi s LEU 101 CO 0.18 0.02 -0.11 -1.83 0.02 0.00 0.00 176.35 174.63 1ozi s GLU 102 N -3.57 0.96 -0.08 1.70 -1.05 -0.39 -0.09 118.70 116.18 1ozi s GLU 102 Ca 0.31 -1.27 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 1ozi s GLU 102 Cb -0.05 -0.65 -0.06 0.00 -0.44 0.00 0.00 34.13 32.92 1ozi s GLU 102 CO 0.17 0.10 1.88 0.21 0.95 0.00 0.00 175.26 178.57 1ozi s LYS 103 N -3.06 3.89 0.00 -4.83 2.36 -0.22 -2.12 119.74 115.77 1ozi s LYS 103 Ca 0.10 2.23 0.00 0.00 -2.55 0.00 0.00 55.97 55.74 1ozi s LYS 103 Cb -0.02 -4.14 0.00 0.00 -1.05 0.00 0.00 37.83 32.62 1ozi s LYS 103 CO 0.01 -1.22 0.00 0.41 1.55 0.00 0.00 175.35 176.10 1ozi n GLY 104 N 4.72 0.04 3.03 5.54 0.00 -1.25 -0.26 105.19 117.01 1ozi n GLY 104 Ca 0.21 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 0.18 0.43 -0.18 1.61 1.11 -0.74 -4.68 119.66 117.40 1ozi s GLN 105 Ca 0.00 -0.68 -0.16 0.00 0.01 0.00 0.00 55.36 54.53 1ozi s GLN 105 Cb 0.00 -0.13 -0.11 0.00 -1.01 0.00 0.00 33.01 31.76 1ozi s GLN 105 CO 0.00 0.01 0.00 0.28 0.01 0.00 0.00 175.29 175.59 1ozi n VAL 106 N 1.55 1.48 0.00 1.09 0.31 -1.26 -4.71 118.33 116.78 1ozi n VAL 106 Ca -0.23 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1ozi n VAL 106 Cb 0.55 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1ozi n VAL 106 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70