#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 1.60 -0.22 1.97 -0.04 -1.26 -2.32 135.00 134.73 1ozi n PRO 10 Ca 0.00 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1ozi n PRO 10 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1ozi n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ozi n GLY 11 N 2.66 0.75 3.75 0.55 0.00 -0.21 -4.95 105.19 107.73 1ozi n GLY 11 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ozi n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozi s ASP 12 N -2.52 5.32 -0.44 1.61 -1.08 -0.98 -4.83 116.67 113.75 1ozi s ASP 12 Ca 0.00 -0.13 -0.23 0.00 -0.52 0.00 0.00 52.55 51.67 1ozi s ASP 12 Cb 0.00 -1.35 0.02 0.00 -1.46 0.00 0.00 42.92 40.14 1ozi s ASP 12 CO 0.00 0.13 0.80 0.42 0.52 0.00 0.00 175.17 177.04 1ozi s THR 13 N -1.53 4.64 0.01 1.71 -4.23 -1.26 -0.02 115.64 114.96 1ozi s THR 13 Ca 0.29 0.51 0.05 0.00 -1.18 0.00 0.00 61.69 61.36 1ozi s THR 13 Cb -0.11 -4.32 -0.03 0.00 1.34 0.00 0.00 72.50 69.38 1ozi s THR 13 CO 0.21 -0.70 -0.15 0.72 -0.54 0.00 0.00 174.62 174.17 1ozi s PHE 14 N 3.31 2.67 -0.26 3.99 -0.71 0.80 -4.93 117.98 122.84 1ozi s PHE 14 Ca 0.31 -0.19 -0.10 0.00 -1.04 0.00 0.00 56.93 55.91 1ozi s PHE 14 Cb -0.12 -1.54 -0.04 0.00 -1.21 0.00 0.00 43.02 40.11 1ozi s PHE 14 CO 0.22 0.25 0.14 -1.21 -1.34 0.00 0.00 175.22 173.29 1ozi s GLU 15 N -1.23 3.89 -0.15 1.99 2.02 -1.26 -0.06 118.70 123.90 1ozi s GLU 15 Ca 0.14 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 1ozi s GLU 15 Cb -0.11 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 1ozi s GLU 15 CO 0.04 -0.12 -0.07 0.08 0.02 0.00 0.00 175.26 175.22 1ozi s VAL 16 N 1.53 3.57 -0.61 2.63 1.01 0.10 -4.96 120.40 123.68 1ozi s VAL 16 Ca 0.07 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1ozi s VAL 16 Cb -0.15 -2.55 0.16 0.00 0.00 0.00 0.00 36.38 33.84 1ozi s VAL 16 CO 0.07 0.50 0.50 -1.83 0.00 0.00 0.00 175.10 174.35 1ozi s GLU 17 N 0.39 2.87 -0.28 2.72 1.03 -1.26 0.20 118.70 124.37 1ozi s GLU 17 Ca -0.06 -2.10 -0.14 0.00 0.03 0.00 0.00 54.97 52.69 1ozi s GLU 17 Cb -0.15 -4.07 -0.04 0.00 -0.80 0.00 0.00 34.13 29.07 1ozi s GLU 17 CO 0.04 -1.24 0.32 -1.17 -1.33 0.00 0.00 175.26 171.88 1ozi s LEU 18 N 0.78 4.09 -0.30 1.83 1.98 0.14 -4.87 118.68 122.33 1ozi s LEU 18 Ca 0.11 0.14 -0.17 0.00 -2.89 0.00 0.00 54.13 51.32 1ozi s LEU 18 Cb -0.21 -2.33 -0.02 0.00 0.66 0.00 0.00 46.19 44.29 1ozi s LEU 18 CO -0.03 -0.17 0.46 0.00 -1.89 0.00 0.00 176.35 174.72 1ozi s ALA 19 N 1.98 3.54 -0.02 5.97 0.00 -1.26 0.16 121.76 132.13 1ozi s ALA 19 Ca 0.12 -0.85 -0.33 0.00 0.00 0.00 0.00 51.96 50.90 1ozi s ALA 19 Cb -0.16 -2.87 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 1ozi s ALA 19 CO 0.10 -0.90 1.85 1.63 0.00 0.00 0.00 175.76 178.45 1ozi n LYS 20 N 5.53 2.34 0.00 0.00 5.02 0.10 -4.80 118.16 126.35 1ozi n LYS 20 Ca -0.06 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1ozi n LYS 20 Cb 0.50 -2.71 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 1ozi n LYS 20 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ozi n THR 21 N 4.95 0.00 0.05 -0.18 -1.04 -1.01 -4.86 114.28 112.19 1ozi n THR 21 Ca 0.21 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1ozi n THR 21 Cb 0.32 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1ozi n THR 21 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ozi n ASP 22 N -1.24 0.44 -1.79 8.00 5.75 -1.26 -4.71 116.55 121.74 1ozi n ASP 22 Ca 0.00 0.16 -0.16 0.00 -0.01 0.00 0.00 54.79 54.79 1ozi n ASP 22 Cb 0.00 -0.06 0.11 0.00 -1.03 0.00 0.00 41.12 40.14 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ozi n GLY 23 N 2.74 3.65 7.00 6.12 0.00 -1.26 -4.97 105.19 118.47 1ozi n GLY 23 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ozi n SER 24 N -0.49 0.00 -4.71 1.61 3.41 -1.26 -4.49 113.62 107.69 1ozi n SER 24 Ca 0.38 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.62 1ozi n SER 24 Cb 1.19 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 65.06 1ozi n SER 24 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ozi s LEU 25 N 0.00 4.20 0.00 1.04 1.43 -1.26 -2.40 118.68 121.69 1ozi s LEU 25 Ca 0.00 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1ozi s LEU 25 Cb 0.00 -2.33 0.33 0.00 0.03 0.00 0.00 46.19 44.23 1ozi s LEU 25 CO 0.00 0.07 1.23 0.61 0.23 0.00 0.00 176.35 178.49 1ozi n GLY 26 N 3.64 -0.75 3.54 -3.19 0.00 -1.26 -4.75 105.19 102.42 1ozi n GLY 26 Ca -0.12 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.93 5.27 -0.18 -0.61 -4.36 -1.26 -0.14 121.20 117.98 1ozi s ILE 27 Ca 0.11 -0.15 -0.21 0.00 -0.26 0.00 0.00 60.65 60.14 1ozi s ILE 27 Cb 0.05 -3.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.02 1ozi s ILE 27 CO 0.08 -0.00 0.65 -0.55 0.24 0.00 0.00 174.94 175.35 1ozi s SER 28 N 1.73 6.73 0.28 4.36 0.15 0.55 -4.95 113.70 122.54 1ozi s SER 28 Ca 0.07 0.88 0.05 0.00 0.70 0.00 0.00 55.95 57.65 1ozi s SER 28 Cb -0.17 -2.36 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1ozi s SER 28 CO 0.11 -0.26 0.37 1.33 1.20 0.00 0.00 173.24 175.99 1ozi n VAL 29 N 4.59 0.00 -3.59 4.45 0.24 -1.26 0.77 118.33 123.53 1ozi n VAL 29 Ca -0.01 -0.95 -0.09 0.00 -2.04 0.00 0.00 64.34 61.26 1ozi n VAL 29 Cb 0.50 -0.73 -0.05 0.00 -1.47 0.00 0.00 33.84 32.09 1ozi n VAL 29 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ozi s THR 30 N -0.79 0.00 -0.20 3.34 -1.32 0.30 -4.40 115.64 112.58 1ozi s THR 30 Ca 0.28 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.78 1ozi s THR 30 Cb -0.02 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1ozi s THR 30 CO 0.18 0.00 -0.17 0.54 -2.21 0.00 0.00 174.62 172.96 1ozi s VAL 31 N -1.17 2.00 -0.38 5.08 0.11 -1.26 0.09 120.40 124.87 1ozi s VAL 31 Ca 0.01 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1ozi s VAL 31 Cb -0.01 -1.90 0.12 0.00 -1.53 0.00 0.00 36.38 33.06 1ozi s VAL 31 CO -0.01 0.38 0.16 -1.48 -3.33 0.00 0.00 175.10 170.83 1ozi s LEU 32 N 1.28 2.84 0.29 2.54 2.34 -1.24 -4.80 118.68 121.92 1ozi s LEU 32 Ca 0.02 -2.20 0.24 0.00 0.06 0.00 0.00 54.13 52.24 1ozi s LEU 32 Cb -0.15 -1.07 0.36 0.00 -0.56 0.00 0.00 46.19 44.78 1ozi s LEU 32 CO -0.11 -0.34 1.47 2.19 -1.06 0.00 0.00 176.35 178.51 1ozi h PHE 33 N 7.36 0.00 -1.26 3.48 -0.00 -1.83 -3.40 116.94 121.29 1ozi h PHE 33 Ca -0.07 0.00 0.15 0.00 -0.00 0.00 0.00 57.97 58.06 1ozi h PHE 33 Cb 0.97 0.00 -0.30 0.00 -0.00 0.00 0.00 35.95 36.63 1ozi h PHE 33 CO 0.43 0.00 0.74 0.34 -0.00 0.00 0.00 178.31 179.83 1ozi s ASP 34 N -5.38 -0.19 0.00 -0.68 2.15 -1.26 -3.84 116.67 107.47 1ozi s ASP 34 Ca 0.06 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.38 1ozi s ASP 34 Cb 0.09 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1ozi s ASP 34 CO 0.69 -0.08 0.58 1.17 -0.17 0.00 0.00 175.17 177.35 1ozi n LYS 35 N 1.55 0.00 -1.77 4.34 4.81 -1.26 -5.05 118.16 120.79 1ozi n LYS 35 Ca -0.10 -0.54 -0.01 0.00 -0.87 0.00 0.00 58.31 56.79 1ozi n LYS 35 Cb 0.57 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ozi n GLY 36 N 0.00 -1.18 1.08 3.14 0.00 -1.26 -5.08 105.19 101.89 1ozi n GLY 36 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.37 0.76 0.12 -0.02 0.00 -1.26 -5.01 105.19 99.41 1ozi n GLY 37 Ca 0.02 -1.98 -0.19 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.43 1.32 0.00 1.61 3.04 -2.07 -3.41 116.25 116.31 1ozi h VAL 38 Ca -0.09 -2.86 -0.08 0.00 -1.01 0.00 0.00 66.70 62.66 1ozi h VAL 38 Cb 0.34 2.92 -0.07 0.00 -2.01 0.00 0.00 31.29 32.47 1ozi h VAL 38 CO 0.10 0.85 -0.14 -3.20 -1.01 0.00 0.00 177.57 174.16 1ozi n ASN 39 N -3.57 -0.62 -4.50 3.17 5.15 -1.26 -5.08 115.26 108.55 1ozi n ASN 39 Ca -0.14 -1.29 -0.42 0.00 -0.60 0.00 0.00 54.58 52.13 1ozi n ASN 39 Cb 1.06 0.24 -0.03 0.00 -0.53 0.00 0.00 39.78 40.52 1ozi n ASN 39 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ozi s THR 40 N 0.03 4.24 -1.40 -0.44 2.01 -1.26 -4.91 115.64 113.90 1ozi s THR 40 Ca 0.02 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1ozi s THR 40 Cb 0.10 -4.85 0.08 0.00 0.01 0.00 0.00 72.50 67.84 1ozi s THR 40 CO -0.03 -1.66 2.20 -1.20 -0.69 0.00 0.00 174.62 173.24 1ozi n SER 41 N 7.93 5.23 -4.71 3.53 7.64 -1.26 -4.55 113.62 127.43 1ozi n SER 41 Ca 0.15 -2.93 -0.41 0.00 1.01 0.00 0.00 58.87 56.69 1ozi n SER 41 Cb 0.49 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.09 1ozi n SER 41 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ozi s VAL 42 N 1.70 4.93 -0.04 0.44 1.01 -1.26 -4.90 120.40 122.29 1ozi s VAL 42 Ca 0.48 1.82 -0.00 0.00 0.00 0.00 0.00 61.98 64.27 1ozi s VAL 42 Cb 0.13 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1ozi s VAL 42 CO -0.05 0.19 -0.04 -1.14 0.00 0.00 0.00 175.10 174.06 1ozi n ARG 43 N 3.92 0.09 -4.02 2.72 0.63 -1.25 -4.57 116.66 114.17 1ozi n ARG 43 Ca 0.03 0.03 -0.34 0.00 -0.92 0.00 0.00 57.85 56.65 1ozi n ARG 43 Cb 0.51 -0.92 -0.15 0.00 0.45 0.00 0.00 32.46 32.35 1ozi n ARG 43 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1ozi s HIS 44 N -2.07 3.01 -0.00 -0.14 5.04 -1.26 -4.91 115.29 114.96 1ozi s HIS 44 Ca -0.05 -1.68 0.02 0.00 -1.54 0.00 0.00 55.06 51.81 1ozi s HIS 44 Cb 0.01 -2.00 -0.01 0.00 0.04 0.00 0.00 32.58 30.63 1ozi s HIS 44 CO 0.08 -0.77 -0.06 0.20 -2.34 0.00 0.00 174.74 171.85 1ozi s GLY 45 N 1.29 0.29 0.00 1.59 0.00 -1.26 -4.94 107.32 104.28 1ozi s GLY 45 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1ozi s GLY 45 CO -0.07 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.40 1ozi n GLY 46 N 2.85 1.57 3.88 0.20 0.00 -1.26 -3.28 105.19 109.14 1ozi n GLY 46 Ca -0.13 -0.72 -0.32 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 4.33 5.19 0.04 -0.61 -1.09 -0.75 -3.69 121.20 124.62 1ozi s ILE 47 Ca 0.00 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 1ozi s ILE 47 Cb 0.00 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1ozi s ILE 47 CO 0.00 0.22 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.52 1ozi s TYR 48 N -1.40 0.89 -0.35 3.97 1.51 0.11 0.11 117.35 122.20 1ozi s TYR 48 Ca 0.30 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.70 1ozi s TYR 48 Cb -0.13 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.21 1ozi s TYR 48 CO 0.23 -0.01 1.03 0.08 -1.11 0.00 0.00 175.55 175.76 1ozi s VAL 49 N -1.02 4.51 -0.01 0.71 1.01 0.98 -0.54 120.40 126.05 1ozi s VAL 49 Ca -0.03 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.48 1ozi s VAL 49 Cb -0.08 -4.40 -0.26 0.00 0.00 0.00 0.00 36.38 31.64 1ozi s VAL 49 CO 0.01 -0.54 0.81 0.50 0.00 0.00 0.00 175.10 175.88 1ozi h LYS 50 N 8.30 0.18 -2.31 2.72 3.64 0.15 0.33 116.57 129.58 1ozi h LYS 50 Ca -0.22 -0.30 0.18 0.00 -1.27 0.00 0.00 60.65 59.05 1ozi h LYS 50 Cb 1.07 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.92 1ozi h LYS 50 CO 1.02 0.99 0.50 0.00 -2.27 0.00 0.00 179.45 179.69 1ozi s ALA 51 N -2.62 -1.68 -0.24 5.00 0.00 -0.88 -4.66 121.76 116.69 1ozi s ALA 51 Ca -0.09 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 1ozi s ALA 51 Cb 0.07 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1ozi s ALA 51 CO 0.84 -1.04 -0.05 0.42 0.00 0.00 0.00 175.76 175.92 1ozi s ILE 52 N -3.25 3.00 0.00 0.00 -1.09 -1.25 -0.33 121.20 118.27 1ozi s ILE 52 Ca 0.12 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 1ozi s ILE 52 Cb -0.01 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1ozi s ILE 52 CO 0.02 0.24 0.00 -0.38 -1.23 0.00 0.00 174.94 173.59 1ozi n ILE 53 N 4.70 0.00 -0.08 2.92 2.08 0.79 -4.97 119.36 124.81 1ozi n ILE 53 Ca -0.17 0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1ozi n ILE 53 Cb 0.48 -1.26 0.00 0.00 -0.75 0.00 0.00 39.64 38.11 1ozi n ILE 53 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1ozi n PRO 54 N -1.85 0.90 -0.32 0.38 -0.02 -1.26 -4.90 135.00 127.93 1ozi n PRO 54 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1ozi n PRO 54 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 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 -0.09 -0.23 0.00 -0.52 4.76 -1.26 -4.83 118.16 115.98 1ozi n LYS 55 Ca 0.00 1.26 0.00 0.00 -2.87 0.00 0.00 58.31 56.70 1ozi n LYS 55 Cb 0.00 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozi n GLY 56 N -1.35 -1.92 5.43 0.72 0.00 -1.26 -4.79 105.19 102.02 1ozi n GLY 56 Ca 0.07 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 -2.37 0.00 0.09 4.61 0.00 -1.26 -2.73 120.51 118.85 1ozi n ALA 57 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ozi n ALA 57 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.57 0.53 0.22 0.00 0.00 -1.89 0.11 119.26 117.66 1ozi h ALA 58 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1ozi h ALA 58 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ozi h ALA 58 CO 0.00 1.07 -0.11 1.49 0.00 0.00 0.00 179.25 181.71 1ozi h GLU 59 N 0.00 -0.28 0.01 0.00 4.81 -1.63 0.08 114.58 117.56 1ozi h GLU 59 Ca -0.01 0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 1ozi h GLU 59 Cb 1.57 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.97 1ozi h GLU 59 CO 0.11 -0.19 -1.45 0.66 -0.73 0.00 0.00 179.01 177.42 1ozi h SER 60 N -0.77 0.02 0.00 1.04 4.64 -1.78 -3.36 113.55 113.34 1ozi h SER 60 Ca -0.03 -0.04 -0.37 0.00 -0.47 0.00 0.00 61.79 60.88 1ozi h SER 60 Cb 0.23 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.24 1ozi h SER 60 CO 0.05 1.03 -2.40 -0.67 -0.87 0.00 0.00 176.83 173.97 1ozi n ASP 61 N -3.18 1.23 0.00 4.97 -0.08 -0.73 -4.94 116.55 113.81 1ozi n ASP 61 Ca -0.11 -0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1ozi n ASP 61 Cb 1.01 0.19 0.00 0.00 2.34 0.00 0.00 41.12 44.66 1ozi n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ozi n GLY 62 N 2.08 0.71 0.00 0.27 0.00 0.30 -5.00 105.19 103.55 1ozi n GLY 62 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 -3.57 1.61 1.74 -0.18 -4.88 116.66 111.38 1ozi n ARG 63 Ca 0.00 -0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 1ozi n ARG 63 Cb 0.00 -0.05 -0.06 0.00 -1.02 0.00 0.00 32.46 31.33 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ozi s ILE 64 N 0.00 5.15 0.42 0.55 1.01 -0.16 -5.01 121.20 123.15 1ozi s ILE 64 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.39 1ozi s ILE 64 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1ozi s ILE 64 CO 0.00 0.57 0.15 -1.38 0.00 0.00 0.00 174.94 174.27 1ozi s HIS 65 N -0.90 1.78 0.07 3.97 -3.43 -1.26 -3.93 115.29 111.59 1ozi s HIS 65 Ca 0.22 -1.34 -0.31 0.00 -0.80 0.00 0.00 55.06 52.83 1ozi s HIS 65 Cb -0.15 -1.13 -0.07 0.00 -1.43 0.00 0.00 32.58 29.80 1ozi s HIS 65 CO 0.11 -0.36 1.36 -1.59 -2.00 0.00 0.00 174.74 172.26 1ozi s LYS 66 N -3.67 4.33 0.00 -0.38 -2.85 -1.26 -2.82 119.74 113.09 1ozi s LYS 66 Ca 0.23 1.99 0.00 0.00 -1.00 0.00 0.00 55.97 57.19 1ozi s LYS 66 Cb 0.02 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 1ozi s LYS 66 CO 0.15 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.56 1ozi n GLY 67 N 3.50 2.39 3.76 0.59 0.00 0.12 -4.83 105.19 110.72 1ozi n GLY 67 Ca 0.12 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 -1.75 6.62 -0.06 1.61 1.01 -1.13 -4.17 116.67 118.80 1ozi s ASP 68 Ca 0.00 2.75 -0.15 0.00 0.71 0.00 0.00 52.55 55.86 1ozi s ASP 68 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1ozi s ASP 68 CO 0.00 -0.70 0.39 -0.60 0.21 0.00 0.00 175.17 174.46 1ozi s ARG 69 N -0.94 4.05 -0.25 8.23 3.52 -0.08 -0.01 118.95 133.46 1ozi s ARG 69 Ca 0.56 0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 56.43 1ozi s ARG 69 Cb -0.42 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 1ozi s ARG 69 CO 0.48 0.49 0.07 0.08 -0.81 0.00 0.00 175.30 175.62 1ozi s VAL 70 N -0.41 4.25 -0.24 7.11 1.01 0.30 0.17 120.40 132.58 1ozi s VAL 70 Ca 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 1ozi s VAL 70 Cb -0.15 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.05 1ozi s VAL 70 CO 0.10 0.32 -0.13 0.18 0.00 0.00 0.00 175.10 175.57 1ozi n LEU 71 N 4.92 2.47 -3.84 3.92 4.77 0.37 -1.81 117.00 127.81 1ozi n LEU 71 Ca -0.16 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1ozi n LEU 71 Cb 0.51 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1ozi n LEU 71 CO 0.31 0.74 0.15 0.00 -1.33 0.00 0.00 177.39 177.26 1ozi s ALA 72 N -2.51 -0.54 -0.28 -1.18 0.00 -0.23 -1.32 121.76 115.70 1ozi s ALA 72 Ca -0.34 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1ozi s ALA 72 Cb 0.10 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.13 1ozi s ALA 72 CO 0.59 -0.74 -0.05 0.08 0.00 0.00 0.00 175.76 175.64 1ozi s VAL 73 N -3.92 2.73 -1.27 0.00 1.01 0.11 0.59 120.40 119.66 1ozi s VAL 73 Ca 0.13 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 1ozi s VAL 73 Cb 0.01 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.95 1ozi s VAL 73 CO -0.01 -0.01 0.48 -0.46 0.00 0.00 0.00 175.10 175.10 1ozi n ASN 74 N 4.58 -3.21 0.00 3.32 0.23 0.22 0.16 115.26 120.56 1ozi n ASN 74 Ca -0.14 -0.46 0.00 0.00 -0.53 0.00 0.00 54.58 53.45 1ozi n ASN 74 Cb 0.44 -2.68 0.00 0.00 -2.08 0.00 0.00 39.78 35.46 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ozi n GLY 75 N -1.11 2.30 3.56 4.83 0.00 -1.26 -5.03 105.19 108.48 1ozi n GLY 75 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.50 4.41 0.26 1.61 1.01 0.12 -4.96 120.40 120.35 1ozi s VAL 76 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1ozi s VAL 76 Cb 0.00 -4.48 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 1ozi s VAL 76 CO 0.00 -0.92 1.25 -0.55 0.00 0.00 0.00 175.10 174.88 1ozi s SER 77 N 2.40 6.97 -0.07 3.32 0.15 -1.26 0.04 113.70 125.25 1ozi s SER 77 Ca 0.38 2.44 0.11 0.00 0.70 0.00 0.00 55.95 59.58 1ozi s SER 77 Cb -0.10 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 61.79 1ozi s SER 77 CO 0.26 -0.42 1.10 0.00 1.20 0.00 0.00 173.24 175.38 1ozi n LEU 78 N 1.71 1.26 -4.58 3.45 -0.00 -0.44 -4.90 117.00 113.51 1ozi n LEU 78 Ca 0.02 -2.19 -0.41 0.00 -0.00 0.00 0.00 56.01 53.44 1ozi n LEU 78 Cb 0.43 -0.21 -0.03 0.00 -0.00 0.00 0.00 43.42 43.61 1ozi n LEU 78 CO 0.57 0.57 1.58 -1.61 -0.00 0.00 0.00 177.39 178.50 1ozi s GLU 79 N -1.39 2.97 0.00 1.47 2.02 -1.21 -1.60 118.70 120.97 1ozi s GLU 79 Ca 0.20 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.26 1ozi s GLU 79 Cb 0.19 -4.30 0.00 0.00 0.10 0.00 0.00 34.13 30.12 1ozi s GLU 79 CO -0.02 -2.30 0.00 0.41 0.02 0.00 0.00 175.26 173.37 1ozi n GLY 80 N 5.56 1.72 3.99 -1.39 0.00 -1.21 -4.89 105.19 108.98 1ozi n GLY 80 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 4.30 0.60 4.61 0.00 -0.62 -5.12 121.76 123.52 1ozi s ALA 81 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.44 1ozi s ALA 81 Cb 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.44 1ozi s ALA 81 CO 0.00 -0.22 0.86 -0.08 0.00 0.00 0.00 175.76 176.32 1ozi s THR 82 N -2.32 2.53 0.19 0.00 -1.32 -1.26 -4.88 115.64 108.57 1ozi s THR 82 Ca 0.50 -0.54 -0.15 0.00 -1.21 0.00 0.00 61.69 60.30 1ozi s THR 82 Cb -0.10 -2.99 0.15 0.00 -1.51 0.00 0.00 72.50 68.05 1ozi s THR 82 CO 0.33 0.00 1.66 -0.74 -2.21 0.00 0.00 174.62 173.66 1ozi h HIS 83 N -0.15 -0.20 -0.39 9.09 2.76 -1.93 -1.00 115.15 123.33 1ozi h HIS 83 Ca -0.43 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 57.73 1ozi h HIS 83 Cb 1.30 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.41 1ozi h HIS 83 CO 0.34 -0.19 0.02 0.87 -1.30 0.00 0.00 177.93 177.67 1ozi h LYS 84 N 0.03 0.60 -0.28 5.26 6.56 -1.99 -1.66 116.57 125.11 1ozi h LYS 84 Ca 0.25 -0.13 -0.12 0.00 -1.06 0.00 0.00 60.65 59.58 1ozi h LYS 84 Cb 0.38 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1ozi h LYS 84 CO -0.50 0.62 -0.31 1.96 -2.06 0.00 0.00 179.45 179.16 1ozi h GLN 85 N 0.58 0.70 0.35 3.15 4.20 -1.62 -0.91 115.11 121.56 1ozi h GLN 85 Ca 0.12 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 1ozi h GLN 85 Cb 0.34 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1ozi h GLN 85 CO 0.01 0.99 -0.46 0.00 -0.67 0.00 0.00 178.83 178.70 1ozi h ALA 86 N 0.69 -0.97 0.00 3.87 0.00 -0.84 -1.39 119.26 120.62 1ozi h ALA 86 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ozi h ALA 86 Cb 0.88 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1ozi h ALA 86 CO 0.07 -1.10 -0.27 0.28 0.00 0.00 0.00 179.25 178.23 1ozi h VAL 87 N -0.86 1.05 -0.20 0.00 2.07 -1.31 -1.70 116.25 115.30 1ozi h VAL 87 Ca -0.03 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 1ozi h VAL 87 Cb 0.79 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1ozi h VAL 87 CO -0.13 0.27 -0.37 -0.33 0.02 0.00 0.00 177.57 177.03 1ozi h GLU 88 N 0.00 0.43 0.00 1.57 4.39 -0.79 0.63 114.58 120.81 1ozi h GLU 88 Ca -0.00 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 1ozi h GLU 88 Cb 0.53 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1ozi h GLU 88 CO 0.04 0.74 -0.47 1.15 -1.16 0.00 0.00 179.01 179.30 1ozi h THR 89 N 0.37 1.33 0.00 1.13 2.02 -0.41 0.31 112.91 117.66 1ozi h THR 89 Ca 0.04 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1ozi h THR 89 Cb 0.81 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1ozi h THR 89 CO 0.07 0.46 0.00 -0.07 0.37 0.00 0.00 175.52 176.35 1ozi h LEU 90 N 0.00 0.00 0.00 2.58 3.38 -0.42 -2.19 115.31 118.65 1ozi h LEU 90 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1ozi h LEU 90 Cb 0.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1ozi h LEU 90 CO 0.06 0.00 -1.74 0.54 0.09 0.00 0.00 178.44 177.39 1ozi n ARG 91 N -2.55 0.64 -0.15 1.13 1.74 0.11 -4.08 116.66 113.50 1ozi n ARG 91 Ca 0.04 0.15 -0.11 0.00 -0.77 0.00 0.00 57.85 57.16 1ozi n ARG 91 Cb 0.40 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1ozi h ASN 92 N 0.00 0.82 -4.02 0.55 2.35 -0.74 -3.43 115.58 111.11 1ozi h ASN 92 Ca -0.26 -0.36 -0.52 0.00 -0.55 0.00 0.00 56.30 54.61 1ozi h ASN 92 Cb 1.75 -0.22 0.09 0.00 0.05 0.00 0.00 38.32 40.00 1ozi h ASN 92 CO 0.04 0.98 0.54 0.42 -1.65 0.00 0.00 177.43 177.77 1ozi s THR 93 N -4.82 2.67 0.00 2.81 -4.23 -0.85 -5.03 115.64 106.20 1ozi s THR 93 Ca -0.12 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1ozi s THR 93 Cb 0.11 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1ozi s THR 93 CO 0.82 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.51 1ozi n GLY 94 N 0.57 0.86 0.17 3.99 0.00 -1.26 -4.93 105.19 104.59 1ozi n GLY 94 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.31 -4.80 1.61 4.15 -1.95 -3.41 115.11 110.40 1ozi h GLN 95 Ca 0.00 0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.77 1ozi h GLN 95 Cb 0.00 0.07 -0.24 0.00 0.21 0.00 0.00 27.48 27.52 1ozi h GLN 95 CO 0.00 0.05 -0.59 0.08 -1.93 0.00 0.00 178.83 176.44 1ozi s VAL 96 N -4.16 4.30 -0.22 2.39 1.01 -1.26 -0.72 120.40 121.74 1ozi s VAL 96 Ca -0.14 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1ozi s VAL 96 Cb 0.01 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1ozi s VAL 96 CO 0.52 0.09 0.19 -0.69 0.00 0.00 0.00 175.10 175.21 1ozi s VAL 97 N 1.56 5.35 -0.21 2.92 1.01 0.12 -4.85 120.40 126.30 1ozi s VAL 97 Ca 0.04 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1ozi s VAL 97 Cb -0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ozi s VAL 97 CO 0.04 0.36 0.51 -2.28 0.00 0.00 0.00 175.10 173.73 1ozi s HIS 98 N 0.90 3.35 0.02 5.22 2.46 -1.26 0.25 115.29 126.23 1ozi s HIS 98 Ca 0.10 0.74 0.06 0.00 0.47 0.00 0.00 55.06 56.42 1ozi s HIS 98 Cb -0.13 -2.67 -0.02 0.00 -0.13 0.00 0.00 32.58 29.63 1ozi s HIS 98 CO 0.03 -0.13 -0.18 -1.17 -2.47 0.00 0.00 174.74 170.82 1ozi s LEU 99 N 1.76 2.12 -0.30 8.88 2.96 0.13 0.71 118.68 134.94 1ozi s LEU 99 Ca 0.23 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1ozi s LEU 99 Cb -0.15 -0.86 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 1ozi s LEU 99 CO 0.09 0.15 0.13 -0.22 -1.32 0.00 0.00 176.35 175.19 1ozi s LEU 100 N -0.90 3.99 0.47 -0.68 0.20 0.20 0.03 118.68 121.99 1ozi s LEU 100 Ca 0.06 -0.51 0.03 0.00 0.69 0.00 0.00 54.13 54.40 1ozi s LEU 100 Cb -0.08 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.67 1ozi s LEU 100 CO 0.01 -0.17 0.02 -0.76 -0.29 0.00 0.00 176.35 175.16 1ozi s LEU 101 N 1.60 2.39 -0.07 -0.68 1.02 0.91 -0.48 118.68 123.37 1ozi s LEU 101 Ca 0.05 -1.58 0.01 0.00 0.02 0.00 0.00 54.13 52.62 1ozi s LEU 101 Cb -0.17 -0.69 0.02 0.00 0.02 0.00 0.00 46.19 45.38 1ozi s LEU 101 CO 0.05 -0.76 -0.08 -0.70 0.02 0.00 0.00 176.35 174.89 1ozi s GLU 102 N -3.82 1.29 0.12 1.70 2.12 0.13 -0.14 118.70 120.09 1ozi s GLU 102 Ca 0.16 -0.24 -0.33 0.00 0.36 0.00 0.00 54.97 54.92 1ozi s GLU 102 Cb 0.04 -1.23 -0.12 0.00 0.26 0.00 0.00 34.13 33.08 1ozi s GLU 102 CO 0.08 -0.10 1.73 1.63 -0.54 0.00 0.00 175.26 178.06 1ozi n LYS 103 N 4.25 2.45 -3.71 4.30 4.76 0.97 -0.91 118.16 130.27 1ozi n LYS 103 Ca -0.20 0.89 -0.30 0.00 -2.87 0.00 0.00 58.31 55.83 1ozi n LYS 103 Cb 0.51 -2.72 -0.14 0.00 -1.84 0.00 0.00 35.03 30.84 1ozi n LYS 103 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ozi s GLY 104 N 2.00 1.15 0.19 0.72 0.00 -1.26 -1.05 107.32 109.06 1ozi s GLY 104 Ca 0.81 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 1ozi s GLY 104 CO 0.39 1.65 0.26 0.61 0.00 0.00 0.00 173.10 176.00 1ozi n GLN 105 N 4.58 0.11 -3.80 2.90 10.64 -1.26 -2.87 117.38 127.68 1ozi n GLN 105 Ca 0.01 -0.54 -0.28 0.00 -1.83 0.00 0.00 57.00 54.35 1ozi n GLN 105 Cb 0.40 -0.22 -0.12 0.00 -0.86 0.00 0.00 30.24 29.44 1ozi n GLN 105 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1ozi s VAL 106 N -1.04 2.18 -2.81 -0.39 -7.23 -1.26 -4.94 120.40 104.91 1ozi s VAL 106 Ca 0.16 -3.55 0.22 0.00 -1.81 0.00 0.00 61.98 57.00 1ozi s VAL 106 Cb -0.01 -2.47 0.18 0.00 0.56 0.00 0.00 36.38 34.65 1ozi s VAL 106 CO 0.11 -0.98 1.21 -0.81 -0.31 0.00 0.00 175.10 174.31