#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 0.73 -0.29 1.97 -0.02 -1.26 -1.63 135.00 134.50 1ozi n PRO 10 Ca 0.00 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1ozi n PRO 10 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.19 0.68 3.78 -1.23 0.00 -1.16 -4.59 105.19 104.86 1ozi n GLY 11 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 7.28 -0.31 1.61 2.15 -0.64 -4.74 116.67 122.02 1ozi s ASP 12 Ca 0.00 1.52 -0.18 0.00 0.43 0.00 0.00 52.55 54.32 1ozi s ASP 12 Cb 0.00 -2.46 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1ozi s ASP 12 CO 0.00 0.19 0.52 0.42 -0.17 0.00 0.00 175.17 176.14 1ozi s THR 13 N -0.96 5.03 0.08 1.71 -4.23 -1.26 -0.12 115.64 115.90 1ozi s THR 13 Ca 0.34 0.63 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1ozi s THR 13 Cb -0.22 -3.90 -0.03 0.00 1.34 0.00 0.00 72.50 69.68 1ozi s THR 13 CO 0.24 -0.07 -0.09 0.72 -0.54 0.00 0.00 174.62 174.87 1ozi s PHE 14 N 2.38 0.96 -0.29 3.99 -0.71 -0.38 -4.99 117.98 118.95 1ozi s PHE 14 Ca 0.20 -0.65 -0.05 0.00 -1.04 0.00 0.00 56.93 55.39 1ozi s PHE 14 Cb -0.15 -0.54 0.02 0.00 -1.21 0.00 0.00 43.02 41.13 1ozi s PHE 14 CO 0.11 -0.04 0.04 -1.21 -1.34 0.00 0.00 175.22 172.79 1ozi s GLU 15 N -2.62 2.94 -0.03 1.99 8.01 -1.26 0.13 118.70 127.86 1ozi s GLU 15 Ca 0.03 -0.95 -0.23 0.00 0.01 0.00 0.00 54.97 53.83 1ozi s GLU 15 Cb -0.04 -3.28 -0.04 0.00 -4.31 0.00 0.00 34.13 26.46 1ozi s GLU 15 CO -0.00 -0.47 0.68 0.54 0.01 0.00 0.00 175.26 176.02 1ozi s VAL 16 N 1.43 4.95 -0.45 2.63 0.11 0.10 -4.85 120.40 124.33 1ozi s VAL 16 Ca 0.01 1.43 -0.13 0.00 -2.93 0.00 0.00 61.98 60.35 1ozi s VAL 16 Cb -0.17 -4.03 0.07 0.00 -1.53 0.00 0.00 36.38 30.72 1ozi s VAL 16 CO 0.01 0.31 0.35 -0.70 -3.33 0.00 0.00 175.10 171.74 1ozi s GLU 17 N 0.40 2.86 -0.15 1.54 2.12 -1.26 -0.93 118.70 123.28 1ozi s GLU 17 Ca 0.36 -1.37 0.01 0.00 0.36 0.00 0.00 54.97 54.33 1ozi s GLU 17 Cb -0.18 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.19 1ozi s GLU 17 CO 0.19 -0.99 -0.17 -1.17 -0.54 0.00 0.00 175.26 172.58 1ozi s LEU 18 N 1.58 2.39 -0.18 2.70 1.98 0.58 -4.95 118.68 122.78 1ozi s LEU 18 Ca 0.04 -0.51 -0.09 0.00 -2.89 0.00 0.00 54.13 50.68 1ozi s LEU 18 Cb -0.24 -1.54 -0.05 0.00 0.66 0.00 0.00 46.19 45.03 1ozi s LEU 18 CO 0.05 0.08 0.12 0.00 -1.89 0.00 0.00 176.35 174.71 1ozi s ALA 19 N 0.86 3.67 0.33 5.97 0.00 -1.26 -0.16 121.76 131.16 1ozi s ALA 19 Ca -0.05 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 1ozi s ALA 19 Cb -0.15 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 20.80 1ozi s ALA 19 CO -0.01 0.27 1.35 0.15 0.00 0.00 0.00 175.76 177.51 1ozi s LYS 20 N 0.06 4.31 -0.01 0.00 3.01 0.20 -4.53 119.74 122.78 1ozi s LYS 20 Ca 0.09 2.28 -0.01 0.00 -1.01 0.00 0.00 55.97 57.32 1ozi s LYS 20 Cb -0.11 -3.06 -0.01 0.00 -1.01 0.00 0.00 37.83 33.64 1ozi s LYS 20 CO -0.00 -0.27 0.24 1.79 0.51 0.00 0.00 175.35 177.62 1ozi h THR 21 N 3.08 0.00 0.00 2.17 1.35 -1.77 -3.46 112.91 114.27 1ozi h THR 21 Ca -0.49 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1ozi h THR 21 Cb 1.23 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1ozi h THR 21 CO 0.66 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.26 1ozi n ASP 22 N -2.31 0.00 -0.46 5.36 -0.08 -1.26 -4.92 116.55 112.87 1ozi n ASP 22 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ozi n ASP 22 Cb 0.01 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.19 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ozi n GLY 23 N 2.25 0.47 3.47 0.27 0.00 -1.26 -5.07 105.19 105.32 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 -0.65 3.96 0.00 1.61 0.01 -1.26 -4.97 113.70 112.39 1ozi s SER 24 Ca 0.00 -0.22 0.24 0.00 1.31 0.00 0.00 55.95 57.28 1ozi s SER 24 Cb 0.00 -0.81 0.30 0.00 0.21 0.00 0.00 66.02 65.73 1ozi s SER 24 CO 0.00 0.34 1.27 -0.11 0.41 0.00 0.00 173.24 175.15 1ozi n LEU 25 N 2.26 0.87 0.00 2.44 7.94 -1.26 -2.76 117.00 126.50 1ozi n LEU 25 Ca -0.17 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 1ozi n LEU 25 Cb 0.52 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1ozi n LEU 25 CO 0.25 0.19 0.00 0.61 -1.11 0.00 0.00 177.39 177.34 1ozi n GLY 26 N 1.46 1.83 3.44 -3.96 0.00 -1.26 -2.31 105.19 104.39 1ozi n GLY 26 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.91 2.43 -0.06 -0.61 -4.36 -1.26 0.02 121.20 114.46 1ozi s ILE 27 Ca 0.00 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.29 1ozi s ILE 27 Cb 0.00 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1ozi s ILE 27 CO 0.00 -0.19 -0.07 -0.44 0.24 0.00 0.00 174.94 174.48 1ozi s SER 28 N -2.90 1.36 0.30 4.36 0.01 -0.47 -4.92 113.70 111.43 1ozi s SER 28 Ca 0.23 -0.20 0.08 0.00 1.31 0.00 0.00 55.95 57.38 1ozi s SER 28 Cb -0.07 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1ozi s SER 28 CO 0.11 -0.04 0.15 0.68 0.41 0.00 0.00 173.24 174.56 1ozi s VAL 29 N 0.94 3.64 0.19 3.43 -7.23 -1.26 -0.40 120.40 119.70 1ozi s VAL 29 Ca -0.10 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1ozi s VAL 29 Cb -0.15 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 1ozi s VAL 29 CO 0.00 -0.28 0.15 0.28 -0.31 0.00 0.00 175.10 174.95 1ozi s THR 30 N -2.29 0.02 -0.27 5.32 -1.32 0.53 -4.74 115.64 112.90 1ozi s THR 30 Ca 0.35 -1.90 -0.09 0.00 -1.21 0.00 0.00 61.69 58.84 1ozi s THR 30 Cb -0.06 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1ozi s THR 30 CO 0.23 -0.11 0.13 -0.69 -2.21 0.00 0.00 174.62 171.97 1ozi s VAL 31 N -4.11 4.81 -0.70 5.08 1.01 -1.26 -0.37 120.40 124.86 1ozi s VAL 31 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 1ozi s VAL 31 Cb 0.06 -3.28 0.18 0.00 0.00 0.00 0.00 36.38 33.34 1ozi s VAL 31 CO 0.09 0.29 0.52 -0.76 0.00 0.00 0.00 175.10 175.24 1ozi s LEU 32 N 1.69 5.14 -0.18 3.92 1.43 0.19 -4.86 118.68 126.02 1ozi s LEU 32 Ca 0.07 -3.28 -0.14 0.00 -1.03 0.00 0.00 54.13 49.74 1ozi s LEU 32 Cb -0.16 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 1ozi s LEU 32 CO 0.07 -0.25 -0.24 0.33 0.23 0.00 0.00 176.35 176.49 1ozi n PHE 33 N 2.87 0.45 -3.54 0.29 7.35 -1.26 -4.55 117.46 119.07 1ozi n PHE 33 Ca 0.13 0.20 -0.07 0.00 -0.76 0.00 0.00 57.45 56.94 1ozi n PHE 33 Cb 0.36 -0.71 -0.08 0.00 0.35 0.00 0.00 39.48 39.41 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 -6.07 -0.25 0.01 -2.13 -4.77 -1.26 -4.28 116.67 97.92 1ozi s ASP 34 Ca -0.24 0.82 0.00 0.00 -3.30 0.00 0.00 52.55 49.82 1ozi s ASP 34 Cb 0.04 1.40 0.00 0.00 -1.09 0.00 0.00 42.92 43.27 1ozi s ASP 34 CO 0.37 -0.25 0.00 1.17 0.70 0.00 0.00 175.17 177.16 1ozi n LYS 35 N 5.39 0.00 0.00 2.11 3.00 -1.26 -5.05 118.16 122.35 1ozi n LYS 35 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1ozi n LYS 35 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 36 N -1.23 -1.67 0.00 3.14 0.00 -1.26 -5.17 105.19 99.00 1ozi n GLY 36 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -0.10 0.00 -0.02 0.00 -1.26 -5.07 105.19 98.73 1ozi n GLY 37 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1ozi n GLY 37 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ozi n VAL 38 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.97 118.33 113.95 1ozi n VAL 38 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1ozi n VAL 38 Cb 0.00 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 1ozi n VAL 38 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ozi n ASN 39 N -0.30 0.06 -4.22 -1.34 4.13 -1.26 -4.92 115.26 107.41 1ozi n ASN 39 Ca 0.00 0.01 -0.41 0.00 1.68 0.00 0.00 54.58 55.86 1ozi n ASN 39 Cb 0.00 -0.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.18 1ozi n ASN 39 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ozi s THR 40 N -1.06 4.92 -0.61 3.41 2.01 -1.26 -4.95 115.64 118.10 1ozi s THR 40 Ca 0.00 -3.09 -0.05 0.00 0.31 0.00 0.00 61.69 58.86 1ozi s THR 40 Cb 0.00 -4.05 0.16 0.00 0.01 0.00 0.00 72.50 68.61 1ozi s THR 40 CO 0.00 -1.03 0.44 -0.44 -0.69 0.00 0.00 174.62 172.90 1ozi s SER 41 N 1.10 5.50 0.51 3.53 0.01 -1.26 -5.07 113.70 118.01 1ozi s SER 41 Ca 0.22 -2.62 -0.20 0.00 1.31 0.00 0.00 55.95 54.66 1ozi s SER 41 Cb -0.12 -1.92 -0.07 0.00 0.21 0.00 0.00 66.02 64.12 1ozi s SER 41 CO -0.08 -0.46 1.10 0.68 0.41 0.00 0.00 173.24 174.89 1ozi s VAL 42 N 0.28 3.41 -1.14 3.43 -7.23 -1.26 -4.91 120.40 112.98 1ozi s VAL 42 Ca 0.15 0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 61.08 1ozi s VAL 42 Cb -0.20 -3.38 0.19 0.00 0.56 0.00 0.00 36.38 33.55 1ozi s VAL 42 CO -0.04 -0.17 1.31 -0.13 -0.31 0.00 0.00 175.10 175.76 1ozi s ARG 43 N -3.19 4.04 0.00 4.82 0.52 -1.26 -4.42 118.95 119.46 1ozi s ARG 43 Ca 0.69 -2.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.29 1ozi s ARG 43 Cb -0.21 -4.92 0.00 0.00 0.52 0.00 0.00 34.95 30.33 1ozi s ARG 43 CO 0.25 -1.65 0.00 1.58 0.02 0.00 0.00 175.30 175.50 1ozi n HIS 44 N 5.11 0.00 -3.17 -0.53 -0.00 -1.26 -5.10 115.22 110.28 1ozi n HIS 44 Ca 0.32 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.18 1ozi n HIS 44 Cb 0.43 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.25 1ozi n HIS 44 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1ozi s GLY 45 N -0.81 2.24 0.00 1.57 0.00 -1.26 -4.58 107.32 104.48 1ozi s GLY 45 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.62 1ozi s GLY 45 CO 0.00 0.08 0.33 0.61 0.00 0.00 0.00 173.10 174.12 1ozi n GLY 46 N -0.49 0.87 3.68 0.20 0.00 -1.26 -4.82 105.19 103.37 1ozi n GLY 46 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 5.22 0.05 -0.61 -1.09 -1.25 0.57 121.20 124.09 1ozi s ILE 47 Ca 0.00 0.68 0.05 0.00 -2.23 0.00 0.00 60.65 59.16 1ozi s ILE 47 Cb 0.00 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1ozi s ILE 47 CO 0.00 0.27 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.52 1ozi s TYR 48 N 1.18 1.33 -0.30 3.97 1.51 0.50 0.73 117.35 126.28 1ozi s TYR 48 Ca 0.19 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.57 1ozi s TYR 48 Cb -0.15 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1ozi s TYR 48 CO 0.08 0.06 1.49 0.08 -1.11 0.00 0.00 175.55 176.15 1ozi s VAL 49 N -0.98 3.86 -0.06 0.71 1.01 -0.36 -0.35 120.40 124.23 1ozi s VAL 49 Ca 0.02 0.94 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 1ozi s VAL 49 Cb -0.09 -3.96 -0.30 0.00 0.00 0.00 0.00 36.38 32.04 1ozi s VAL 49 CO 0.02 -0.48 0.62 0.50 0.00 0.00 0.00 175.10 175.76 1ozi h LYS 50 N 10.52 0.37 -3.12 2.72 3.64 -1.02 -2.10 116.57 127.58 1ozi h LYS 50 Ca -0.30 -0.63 -0.07 0.00 -1.27 0.00 0.00 60.65 58.38 1ozi h LYS 50 Cb 1.13 0.23 -0.15 0.00 -0.41 0.00 0.00 32.23 33.03 1ozi h LYS 50 CO 1.03 1.30 -0.09 0.00 -2.27 0.00 0.00 179.45 179.43 1ozi s ALA 51 N -2.56 -1.01 -0.23 5.00 0.00 -0.75 -4.79 121.76 117.42 1ozi s ALA 51 Ca -0.17 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 1ozi s ALA 51 Cb 0.05 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1ozi s ALA 51 CO 0.84 -0.51 -0.06 0.42 0.00 0.00 0.00 175.76 176.44 1ozi s ILE 52 N -2.86 3.07 -0.14 0.00 -1.09 -1.26 -1.37 121.20 117.55 1ozi s ILE 52 Ca -0.03 -0.75 -0.09 0.00 -2.23 0.00 0.00 60.65 57.55 1ozi s ILE 52 Cb -0.00 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1ozi s ILE 52 CO -0.05 0.34 0.17 -0.63 -1.23 0.00 0.00 174.94 173.54 1ozi s ILE 53 N 1.40 5.42 -1.03 2.92 1.09 0.10 -5.00 121.20 126.10 1ozi s ILE 53 Ca 0.04 0.29 -0.25 0.00 -1.10 0.00 0.00 60.65 59.63 1ozi s ILE 53 Cb -0.15 -3.47 -0.17 0.00 -1.06 0.00 0.00 42.46 37.61 1ozi s ILE 53 CO -0.05 0.54 1.98 -2.65 -0.10 0.00 0.00 174.94 174.67 1ozi n PRO 54 N 2.55 0.88 -0.48 2.79 -0.02 -1.26 -4.25 135.00 135.22 1ozi n PRO 54 Ca -0.18 -2.02 0.02 0.00 -2.02 0.00 0.00 63.50 59.31 1ozi n PRO 54 Cb 0.54 -3.68 0.03 0.00 -0.02 0.00 0.00 33.50 30.37 1ozi n PRO 54 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ozi n LYS 55 N 8.11 0.29 0.00 -0.52 4.01 -1.26 -5.12 118.16 123.67 1ozi n LYS 55 Ca 0.44 -1.43 0.00 0.00 -0.51 0.00 0.00 58.31 56.81 1ozi n LYS 55 Cb 0.46 -0.69 0.00 0.00 -0.51 0.00 0.00 35.03 34.29 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ozi n GLY 56 N -0.28 -0.12 7.00 0.72 0.00 -1.26 -4.62 105.19 106.62 1ozi n GLY 56 Ca 0.04 -1.00 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 4.45 0.00 -0.09 4.61 0.00 -1.26 -3.24 120.51 124.98 1ozi n ALA 57 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 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 -0.51 1.00 -0.09 0.00 0.00 -1.75 0.20 119.26 118.11 1ozi h ALA 58 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ozi h ALA 58 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ozi h ALA 58 CO 0.00 0.60 -0.03 1.49 0.00 0.00 0.00 179.25 181.31 1ozi h GLU 59 N 0.69 0.17 -0.17 0.00 4.22 -1.77 0.53 114.58 118.25 1ozi h GLU 59 Ca 0.12 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.43 1ozi h GLU 59 Cb 0.59 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ozi h GLU 59 CO 0.04 0.50 -0.11 0.77 -2.18 0.00 0.00 179.01 178.03 1ozi h SER 60 N -0.16 0.40 0.85 1.04 0.02 -1.63 -2.57 113.55 111.49 1ozi h SER 60 Ca 0.02 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 1ozi h SER 60 Cb 0.44 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1ozi h SER 60 CO 0.01 0.75 -0.31 -0.78 -1.14 0.00 0.00 176.83 175.36 1ozi h ASP 61 N 0.05 0.00 -1.84 3.07 3.58 -0.71 -3.47 116.42 117.10 1ozi h ASP 61 Ca 0.03 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.36 1ozi h ASP 61 Cb 0.61 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.69 1ozi h ASP 61 CO 0.03 0.31 -0.18 0.61 -2.88 0.00 0.00 179.24 177.12 1ozi n GLY 62 N 0.16 0.36 0.13 -0.78 0.00 0.09 -4.96 105.19 100.19 1ozi n GLY 62 Ca -0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.74 0.59 -3.88 1.61 5.12 -0.70 -4.94 116.66 112.71 1ozi n ARG 63 Ca -0.03 0.38 -0.36 0.00 -1.93 0.00 0.00 57.85 55.91 1ozi n ARG 63 Cb 0.53 -1.60 -0.07 0.00 -1.16 0.00 0.00 32.46 30.16 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 -2.46 5.39 0.22 0.55 -1.09 -1.22 -5.07 121.20 117.52 1ozi s ILE 64 Ca -0.34 0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1ozi s ILE 64 Cb 0.11 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1ozi s ILE 64 CO 0.55 0.57 0.11 -1.38 -1.23 0.00 0.00 174.94 173.57 1ozi s HIS 65 N -0.67 1.29 0.29 3.97 -3.43 -1.26 -4.46 115.29 111.02 1ozi s HIS 65 Ca 0.13 -1.30 -0.28 0.00 -0.80 0.00 0.00 55.06 52.81 1ozi s HIS 65 Cb -0.12 -0.68 -0.09 0.00 -1.43 0.00 0.00 32.58 30.26 1ozi s HIS 65 CO 0.02 -0.52 0.96 -1.59 -2.00 0.00 0.00 174.74 171.61 1ozi s LYS 66 N -4.11 4.68 0.00 -0.38 -2.85 -1.26 -3.77 119.74 112.05 1ozi s LYS 66 Ca 0.38 1.43 0.00 0.00 -1.00 0.00 0.00 55.97 56.78 1ozi s LYS 66 Cb 0.07 -3.01 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 1ozi s LYS 66 CO 0.12 0.36 0.00 0.41 0.10 0.00 0.00 175.35 176.34 1ozi n GLY 67 N 0.97 2.15 3.85 0.59 0.00 -0.79 -4.84 105.19 107.12 1ozi n GLY 67 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.89 6.78 0.23 1.61 1.11 -1.25 -0.80 116.67 122.46 1ozi s ASP 68 Ca 0.00 1.09 0.07 0.00 0.18 0.00 0.00 52.55 53.88 1ozi s ASP 68 Cb 0.00 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.66 1ozi s ASP 68 CO 0.00 0.01 0.14 0.00 1.18 0.00 0.00 175.17 176.50 1ozi s ARG 69 N -2.34 2.81 -0.15 8.23 1.70 -1.08 -1.22 118.95 126.89 1ozi s ARG 69 Ca 0.43 -1.06 -0.01 0.00 -0.47 0.00 0.00 55.73 54.63 1ozi s ARG 69 Cb -0.13 -2.52 -0.01 0.00 -0.57 0.00 0.00 34.95 31.71 1ozi s ARG 69 CO 0.20 0.42 -0.12 0.08 -1.08 0.00 0.00 175.30 174.80 1ozi s VAL 70 N -2.03 3.02 -0.19 4.99 1.01 0.23 -1.08 120.40 126.35 1ozi s VAL 70 Ca 0.32 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1ozi s VAL 70 Cb -0.08 -2.29 -0.22 0.00 0.00 0.00 0.00 36.38 33.79 1ozi s VAL 70 CO 0.24 0.51 0.08 0.18 0.00 0.00 0.00 175.10 176.11 1ozi n LEU 71 N 3.80 2.13 -3.83 3.92 4.77 0.97 -3.85 117.00 124.92 1ozi n LEU 71 Ca -0.18 0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 1ozi n LEU 71 Cb 0.52 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1ozi n LEU 71 CO 0.30 0.78 0.52 0.00 -1.33 0.00 0.00 177.39 177.66 1ozi s ALA 72 N -2.53 -1.02 -0.28 -1.18 0.00 -0.04 -3.21 121.76 113.49 1ozi s ALA 72 Ca -0.24 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1ozi s ALA 72 Cb 0.08 0.75 0.08 0.00 0.00 0.00 0.00 23.12 24.03 1ozi s ALA 72 CO 0.71 -1.02 -0.01 0.54 0.00 0.00 0.00 175.76 175.99 1ozi s VAL 73 N -3.06 1.75 -1.53 0.00 0.11 0.61 0.46 120.40 118.74 1ozi s VAL 73 Ca 0.14 -1.66 -0.03 0.00 -2.93 0.00 0.00 61.98 57.50 1ozi s VAL 73 Cb -0.05 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1ozi s VAL 73 CO 0.09 -0.33 0.28 -3.20 -3.33 0.00 0.00 175.10 168.61 1ozi n ASN 74 N 4.53 -5.45 0.00 3.54 5.15 0.14 -0.21 115.26 122.96 1ozi n ASN 74 Ca -0.06 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1ozi n ASN 74 Cb 0.43 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.19 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 -1.19 1.03 3.53 8.20 0.00 -1.26 -5.03 105.19 110.47 1ozi n GLY 75 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.26 4.44 -0.14 1.61 1.01 0.70 -5.00 120.40 120.77 1ozi s VAL 76 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 1ozi s VAL 76 Cb 0.00 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1ozi s VAL 76 CO 0.00 -1.00 1.41 -0.44 0.00 0.00 0.00 175.10 175.07 1ozi s SER 77 N 2.62 6.80 -0.66 3.32 0.01 -1.26 -0.29 113.70 124.25 1ozi s SER 77 Ca 0.32 1.83 0.04 0.00 1.31 0.00 0.00 55.95 59.44 1ozi s SER 77 Cb -0.12 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.73 1ozi s SER 77 CO 0.21 -0.87 0.44 -1.48 0.41 0.00 0.00 173.24 171.95 1ozi s LEU 78 N 3.84 4.73 -0.17 2.44 2.34 -1.20 -4.87 118.68 125.80 1ozi s LEU 78 Ca 0.62 -3.57 0.05 0.00 0.06 0.00 0.00 54.13 51.29 1ozi s LEU 78 Cb -0.25 -1.66 -0.22 0.00 -0.56 0.00 0.00 46.19 43.49 1ozi s LEU 78 CO 0.21 -0.14 0.17 -1.84 -1.06 0.00 0.00 176.35 173.69 1ozi n GLU 79 N 2.38 0.69 -1.30 1.48 -0.00 -1.26 -4.34 120.64 118.28 1ozi n GLU 79 Ca 0.15 0.17 -0.31 0.00 -0.00 0.00 0.00 57.16 57.18 1ozi n GLU 79 Cb 0.34 -1.63 0.11 0.00 -0.00 0.00 0.00 31.44 30.27 1ozi n GLU 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ozi n GLY 80 N 1.94 5.44 3.87 -1.84 0.00 -1.26 -4.29 105.19 109.05 1ozi n GLY 80 Ca -0.34 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.65 3.86 0.46 4.61 0.00 -1.26 -5.10 121.76 120.68 1ozi s ALA 81 Ca 0.62 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1ozi s ALA 81 Cb 0.50 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.83 1ozi s ALA 81 CO 0.03 0.74 0.67 -0.08 0.00 0.00 0.00 175.76 177.12 1ozi s THR 82 N -1.30 3.58 0.29 0.00 -1.32 -1.26 -4.87 115.64 110.75 1ozi s THR 82 Ca 0.27 -0.63 0.03 0.00 -1.21 0.00 0.00 61.69 60.15 1ozi s THR 82 Cb -0.12 -3.31 0.28 0.00 -1.51 0.00 0.00 72.50 67.83 1ozi s THR 82 CO 0.18 -0.20 1.77 1.12 -2.21 0.00 0.00 174.62 175.28 1ozi h HIS 83 N 0.37 0.93 -0.84 9.09 2.07 -1.88 0.12 115.15 125.01 1ozi h HIS 83 Ca -0.45 0.03 0.01 0.00 -2.85 0.00 0.00 60.37 57.12 1ozi h HIS 83 Cb 1.27 -0.27 -0.04 0.00 2.57 0.00 0.00 27.41 30.94 1ozi h HIS 83 CO 0.42 0.21 0.55 0.87 -3.07 0.00 0.00 177.93 176.91 1ozi h LYS 84 N 0.70 1.11 -0.06 5.12 1.57 -1.94 0.26 116.57 123.32 1ozi h LYS 84 Ca 0.53 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.20 1ozi h LYS 84 Cb 0.79 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ozi h LYS 84 CO -0.38 0.74 -0.12 1.96 -0.57 0.00 0.00 179.45 181.07 1ozi h GLN 85 N 1.14 0.19 -0.15 3.15 1.08 -1.39 -1.40 115.11 117.72 1ozi h GLN 85 Ca 0.31 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.41 1ozi h GLN 85 Cb -0.13 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1ozi h GLN 85 CO -0.07 0.71 -0.01 0.00 -0.95 0.00 0.00 178.83 178.52 1ozi h ALA 86 N 0.48 0.13 0.00 3.87 0.00 -0.95 0.91 119.26 123.71 1ozi h ALA 86 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1ozi h ALA 86 Cb 0.71 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ozi h ALA 86 CO 0.03 -0.45 -0.27 0.28 0.00 0.00 0.00 179.25 178.84 1ozi h VAL 87 N 0.04 1.17 0.00 0.00 2.07 -0.97 -1.08 116.25 117.48 1ozi h VAL 87 Ca 0.07 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1ozi h VAL 87 Cb 0.09 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1ozi h VAL 87 CO -0.13 0.26 -0.07 -0.33 0.02 0.00 0.00 177.57 177.32 1ozi h GLU 88 N 0.00 0.00 -0.04 1.57 5.08 -0.29 -0.10 114.58 120.81 1ozi h GLU 88 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1ozi h GLU 88 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ozi h GLU 88 CO 0.03 0.00 -0.68 1.15 -1.00 0.00 0.00 179.01 178.52 1ozi h THR 89 N 0.00 1.43 0.00 1.13 2.02 0.40 0.99 112.91 118.88 1ozi h THR 89 Ca 0.00 -2.19 -0.01 0.00 0.77 0.00 0.00 66.41 64.98 1ozi h THR 89 Cb 0.81 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1ozi h THR 89 CO 0.00 0.64 -0.04 -0.07 0.37 0.00 0.00 175.52 176.42 1ozi h LEU 90 N 0.12 0.00 0.05 2.58 3.38 -0.77 -1.42 115.31 119.25 1ozi h LEU 90 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1ozi h LEU 90 Cb 1.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.98 1ozi h LEU 90 CO 0.10 0.04 -0.69 -0.09 0.09 0.00 0.00 178.44 177.89 1ozi h ARG 91 N 0.00 0.39 -0.61 1.13 2.43 -0.51 -3.34 114.38 113.87 1ozi h ARG 91 Ca -0.00 -0.48 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 1ozi h ARG 91 Cb 0.85 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1ozi h ARG 91 CO 0.00 1.16 0.16 -0.97 -1.51 0.00 0.00 179.97 178.81 1ozi h ASN 92 N -0.17 0.92 -4.26 -3.80 -0.73 -0.60 -3.44 115.58 103.49 1ozi h ASN 92 Ca -0.10 -0.23 -0.52 0.00 1.87 0.00 0.00 56.30 57.33 1ozi h ASN 92 Cb 1.44 -0.24 0.16 0.00 0.27 0.00 0.00 38.32 39.95 1ozi h ASN 92 CO 0.13 0.90 0.30 0.42 -0.37 0.00 0.00 177.43 178.81 1ozi s THR 93 N -5.34 2.63 0.00 -3.57 -4.23 -0.55 -5.04 115.64 99.54 1ozi s THR 93 Ca -0.12 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1ozi s THR 93 Cb 0.13 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1ozi s THR 93 CO 0.82 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 1ozi n GLY 94 N -0.30 0.62 0.26 3.99 0.00 -1.26 -4.92 105.19 103.57 1ozi n GLY 94 Ca 0.11 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 0.88 -5.09 1.61 5.75 -1.95 -3.40 115.11 112.91 1ozi h GLN 95 Ca 0.00 -0.23 -0.66 0.00 -0.15 0.00 0.00 58.65 57.61 1ozi h GLN 95 Cb 0.00 -0.11 -0.29 0.00 1.07 0.00 0.00 27.48 28.15 1ozi h GLN 95 CO 0.00 0.85 -0.77 0.08 -2.65 0.00 0.00 178.83 176.35 1ozi s VAL 96 N -5.22 2.98 0.10 2.39 1.01 -1.26 0.63 120.40 121.03 1ozi s VAL 96 Ca -0.13 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1ozi s VAL 96 Cb 0.12 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ozi s VAL 96 CO 0.81 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 175.61 1ozi s VAL 97 N 1.15 3.42 -0.10 2.92 1.01 0.77 -4.94 120.40 124.63 1ozi s VAL 97 Ca 0.01 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1ozi s VAL 97 Cb -0.14 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1ozi s VAL 97 CO -0.03 0.11 -0.15 -1.00 0.00 0.00 0.00 175.10 174.03 1ozi s HIS 98 N -1.22 2.73 0.04 5.22 3.76 -1.25 -0.31 115.29 124.26 1ozi s HIS 98 Ca 0.22 -0.57 0.06 0.00 -0.15 0.00 0.00 55.06 54.62 1ozi s HIS 98 Cb -0.11 -1.76 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 1ozi s HIS 98 CO 0.14 -0.13 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.21 1ozi s LEU 99 N 0.04 2.17 -0.41 0.89 1.02 -0.11 0.23 118.68 122.52 1ozi s LEU 99 Ca -0.06 -0.50 -0.15 0.00 0.02 0.00 0.00 54.13 53.44 1ozi s LEU 99 Cb -0.15 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.26 1ozi s LEU 99 CO 0.05 0.10 0.32 -0.22 0.02 0.00 0.00 176.35 176.62 1ozi s LEU 100 N -1.19 5.08 0.42 1.79 0.20 0.17 0.02 118.68 125.17 1ozi s LEU 100 Ca 0.05 -0.87 0.07 0.00 0.69 0.00 0.00 54.13 54.07 1ozi s LEU 100 Cb -0.08 -2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 1ozi s LEU 100 CO 0.02 -0.47 0.22 -0.76 -0.29 0.00 0.00 176.35 175.07 1ozi s LEU 101 N 1.75 3.12 -0.05 -0.68 1.02 0.12 -0.02 118.68 123.94 1ozi s LEU 101 Ca 0.06 -1.05 0.02 0.00 0.02 0.00 0.00 54.13 53.19 1ozi s LEU 101 Cb -0.19 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.52 1ozi s LEU 101 CO 0.10 -0.60 -0.11 -0.70 0.02 0.00 0.00 176.35 175.06 1ozi s GLU 102 N -3.97 1.43 0.02 1.70 2.12 -0.24 -1.24 118.70 118.51 1ozi s GLU 102 Ca 0.41 -0.38 -0.32 0.00 0.36 0.00 0.00 54.97 55.04 1ozi s GLU 102 Cb 0.02 -1.23 -0.11 0.00 0.26 0.00 0.00 34.13 33.07 1ozi s GLU 102 CO 0.23 0.07 1.87 1.17 -0.54 0.00 0.00 175.26 178.05 1ozi n LYS 103 N 3.61 2.49 0.00 4.30 3.00 0.83 -2.64 118.16 129.76 1ozi n LYS 103 Ca -0.21 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 1ozi n LYS 103 Cb 0.52 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 32.76 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 104 N 4.30 0.93 3.70 3.14 0.00 -1.26 -2.97 105.19 113.04 1ozi n GLY 104 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 3.27 0.49 -0.44 1.61 -1.52 0.02 -4.52 119.66 118.57 1ozi s GLN 105 Ca 0.00 0.39 -0.26 0.00 -1.95 0.00 0.00 55.36 53.55 1ozi s GLN 105 Cb 0.00 -1.75 0.04 0.00 -0.22 0.00 0.00 33.01 31.07 1ozi s GLN 105 CO 0.00 -2.66 0.63 0.28 -0.25 0.00 0.00 175.29 173.29 1ozi n VAL 106 N -4.11 -8.23 1.80 1.09 0.31 -1.26 -4.56 118.33 103.38 1ozi n VAL 106 Ca 0.06 0.57 0.14 0.00 -0.01 0.00 0.00 64.34 65.10 1ozi n VAL 106 Cb 0.58 -5.80 0.86 0.00 -0.91 0.00 0.00 33.84 28.57 1ozi n VAL 106 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86