#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 1.19 -0.50 1.97 -0.02 -1.26 -0.24 135.00 136.14 1ozi n PRO 10 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1ozi n PRO 10 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 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 5.78 0.75 3.48 -1.23 0.00 0.33 -4.93 105.19 109.36 1ozi n GLY 11 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.06 3.43 0.03 1.61 2.15 0.66 -4.89 116.67 117.60 1ozi s ASP 12 Ca 0.00 -1.10 -0.17 0.00 0.43 0.00 0.00 52.55 51.71 1ozi s ASP 12 Cb 0.00 -0.28 -0.06 0.00 -0.30 0.00 0.00 42.92 42.28 1ozi s ASP 12 CO 0.00 -0.11 0.48 0.42 -0.17 0.00 0.00 175.17 175.79 1ozi s THR 13 N -2.65 4.90 0.04 1.71 -4.23 -1.26 -1.85 115.64 112.30 1ozi s THR 13 Ca 0.30 1.01 -0.24 0.00 -1.18 0.00 0.00 61.69 61.58 1ozi s THR 13 Cb -0.01 -3.80 0.06 0.00 1.34 0.00 0.00 72.50 70.09 1ozi s THR 13 CO 0.14 0.56 0.56 0.72 -0.54 0.00 0.00 174.62 176.06 1ozi s PHE 14 N -1.04 -0.48 0.07 3.99 -0.12 0.59 -4.95 117.98 116.03 1ozi s PHE 14 Ca 0.26 0.58 0.05 0.00 -0.05 0.00 0.00 56.93 57.77 1ozi s PHE 14 Cb -0.18 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1ozi s PHE 14 CO 0.16 -0.66 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.42 1ozi s GLU 15 N -2.35 2.47 -0.10 1.99 2.02 -1.26 0.65 118.70 122.11 1ozi s GLU 15 Ca -0.06 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.10 1ozi s GLU 15 Cb -0.01 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.75 1ozi s GLU 15 CO -0.01 0.55 -0.12 0.08 0.02 0.00 0.00 175.26 175.78 1ozi s VAL 16 N -1.21 1.28 -0.82 2.63 1.01 0.21 -4.92 120.40 118.58 1ozi s VAL 16 Ca 0.23 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1ozi s VAL 16 Cb -0.11 -1.20 0.18 0.00 0.00 0.00 0.00 36.38 35.24 1ozi s VAL 16 CO 0.15 0.40 0.84 -1.61 0.00 0.00 0.00 175.10 174.88 1ozi s GLU 17 N 1.11 3.52 -0.25 2.72 2.02 -1.24 -0.37 118.70 126.21 1ozi s GLU 17 Ca -0.05 -2.13 -0.09 0.00 0.02 0.00 0.00 54.97 52.72 1ozi s GLU 17 Cb -0.14 -4.53 -0.04 0.00 0.10 0.00 0.00 34.13 29.51 1ozi s GLU 17 CO -0.02 -1.44 0.13 -1.17 0.02 0.00 0.00 175.26 172.77 1ozi s LEU 18 N 1.14 3.81 -0.08 1.80 1.98 0.10 -4.88 118.68 122.55 1ozi s LEU 18 Ca 0.20 -0.05 -0.07 0.00 -2.89 0.00 0.00 54.13 51.33 1ozi s LEU 18 Cb -0.11 -2.03 -0.04 0.00 0.66 0.00 0.00 46.19 44.67 1ozi s LEU 18 CO -0.07 0.00 0.18 0.00 -1.89 0.00 0.00 176.35 174.57 1ozi s ALA 19 N 1.43 3.88 0.26 5.97 0.00 -1.26 -0.09 121.76 131.95 1ozi s ALA 19 Ca 0.06 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1ozi s ALA 19 Cb -0.15 -2.00 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 1ozi s ALA 19 CO 0.06 0.63 1.19 0.15 0.00 0.00 0.00 175.76 177.80 1ozi s LYS 20 N -1.26 4.51 0.01 0.00 3.01 0.12 -4.65 119.74 121.49 1ozi s LYS 20 Ca 0.19 1.94 0.02 0.00 -1.01 0.00 0.00 55.97 57.11 1ozi s LYS 20 Cb -0.13 -3.18 -0.01 0.00 -1.01 0.00 0.00 37.83 33.51 1ozi s LYS 20 CO 0.08 -0.00 -0.07 -0.08 0.51 0.00 0.00 175.35 175.80 1ozi s THR 21 N -0.75 0.49 0.00 2.17 -1.32 -1.21 -4.76 115.64 110.25 1ozi s THR 21 Ca 0.49 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1ozi s THR 21 Cb -0.34 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1ozi s THR 21 CO 0.42 -0.05 0.00 -0.67 -2.21 0.00 0.00 174.62 172.11 1ozi n ASP 22 N 2.41 0.00 0.00 8.08 2.03 -1.26 -2.10 116.55 125.72 1ozi n ASP 22 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1ozi n ASP 22 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ozi n GLY 23 N 0.00 1.56 3.25 0.27 0.00 -1.26 -5.11 105.19 103.89 1ozi n GLY 23 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.19 -0.24 1.61 0.01 -0.89 -5.06 113.70 109.32 1ozi s SER 24 Ca 0.00 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 1ozi s SER 24 Cb 0.00 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1ozi s SER 24 CO 0.00 -0.03 0.56 -0.22 0.41 0.00 0.00 173.24 173.96 1ozi s LEU 25 N -2.05 4.09 0.00 2.44 2.96 -1.26 -3.29 118.68 121.56 1ozi s LEU 25 Ca 0.05 0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 1ozi s LEU 25 Cb -0.08 -2.76 -0.11 0.00 0.50 0.00 0.00 46.19 43.74 1ozi s LEU 25 CO 0.04 -0.29 1.97 0.61 -1.32 0.00 0.00 176.35 177.36 1ozi n GLY 26 N 4.14 2.02 2.83 7.98 0.00 -1.26 -4.73 105.19 116.18 1ozi n GLY 26 Ca -0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 1.47 0.04 -0.27 -0.61 -4.36 -1.26 -0.99 121.20 115.22 1ozi s ILE 27 Ca 0.26 0.08 -0.09 0.00 -0.26 0.00 0.00 60.65 60.65 1ozi s ILE 27 Cb 0.13 -0.11 -0.03 0.00 1.25 0.00 0.00 42.46 43.70 1ozi s ILE 27 CO 0.00 0.07 0.12 -0.55 0.24 0.00 0.00 174.94 174.82 1ozi s SER 28 N 0.58 5.45 0.13 4.36 0.15 0.10 -4.83 113.70 119.65 1ozi s SER 28 Ca -0.05 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.48 1ozi s SER 28 Cb -0.08 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1ozi s SER 28 CO -0.01 -0.07 -0.12 0.68 1.20 0.00 0.00 173.24 174.92 1ozi s VAL 29 N 1.66 3.18 0.35 4.45 -7.23 -1.26 0.32 120.40 121.86 1ozi s VAL 29 Ca 0.06 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1ozi s VAL 29 Cb -0.16 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1ozi s VAL 29 CO 0.06 0.03 0.18 0.28 -0.31 0.00 0.00 175.10 175.35 1ozi s THR 30 N -1.36 0.34 -0.16 5.32 -1.32 -0.09 -4.82 115.64 113.55 1ozi s THR 30 Ca 0.22 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.57 1ozi s THR 30 Cb -0.10 -2.44 -0.09 0.00 -1.51 0.00 0.00 72.50 68.36 1ozi s THR 30 CO 0.13 0.00 -0.00 -0.37 -2.21 0.00 0.00 174.62 172.17 1ozi h VAL 31 N 2.02 0.35 -1.41 5.08 -1.51 -1.80 0.53 116.25 119.51 1ozi h VAL 31 Ca -0.32 -1.41 0.13 0.00 -1.23 0.00 0.00 66.70 63.87 1ozi h VAL 31 Cb 1.25 0.81 -0.29 0.00 -2.13 0.00 0.00 31.29 30.94 1ozi h VAL 31 CO 0.49 0.12 0.52 -0.76 -1.23 0.00 0.00 177.57 176.71 1ozi s LEU 32 N -8.15 -0.36 0.01 4.19 1.43 -1.26 -3.32 118.68 111.21 1ozi s LEU 32 Ca -0.18 0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1ozi s LEU 32 Cb 0.03 1.58 -0.29 0.00 0.03 0.00 0.00 46.19 47.53 1ozi s LEU 32 CO 0.33 -0.10 0.89 -0.26 0.23 0.00 0.00 176.35 177.44 1ozi h PHE 33 N 5.25 0.55 -3.28 0.29 -1.00 -1.97 -3.41 116.94 113.36 1ozi h PHE 33 Ca -0.28 -0.40 -0.62 0.00 2.81 0.00 0.00 57.97 59.49 1ozi h PHE 33 Cb 1.18 -0.02 -0.40 0.00 3.61 0.00 0.00 35.95 40.32 1ozi h PHE 33 CO 0.18 1.43 -0.73 0.34 -1.61 0.00 0.00 178.31 177.91 1ozi s ASP 34 N -7.11 4.17 -0.57 2.17 2.15 -1.26 -5.03 116.67 111.19 1ozi s ASP 34 Ca -0.09 -2.15 -0.07 0.00 0.43 0.00 0.00 52.55 50.67 1ozi s ASP 34 Cb 0.06 -1.19 0.15 0.00 -0.30 0.00 0.00 42.92 41.65 1ozi s ASP 34 CO 0.87 -0.35 0.43 -0.75 -0.17 0.00 0.00 175.17 175.19 1ozi s LYS 35 N 0.94 2.63 0.11 4.34 2.20 -1.26 -4.97 119.74 123.73 1ozi s LYS 35 Ca 0.13 -2.15 -0.01 0.00 -0.36 0.00 0.00 55.97 53.57 1ozi s LYS 35 Cb -0.20 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 1ozi s LYS 35 CO -0.12 -1.19 0.05 0.20 -0.36 0.00 0.00 175.35 173.93 1ozi s GLY 36 N 1.81 0.82 -0.47 5.54 0.00 -1.26 -4.86 107.32 108.90 1ozi s GLY 36 Ca 0.12 -1.37 -0.00 0.00 0.00 0.00 0.00 44.72 43.47 1ozi s GLY 36 CO -0.03 -1.32 0.04 0.61 0.00 0.00 0.00 173.10 172.40 1ozi n GLY 37 N -0.05 0.19 3.19 0.20 0.00 -1.26 -4.97 105.19 102.49 1ozi n GLY 37 Ca -0.08 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1ozi n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozi s VAL 38 N -2.39 4.81 0.00 1.61 1.01 -1.26 -4.37 120.40 119.81 1ozi s VAL 38 Ca 0.02 -3.46 0.00 0.00 0.00 0.00 0.00 61.98 58.54 1ozi s VAL 38 Cb -0.01 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1ozi s VAL 38 CO 0.03 -1.07 0.00 0.59 0.00 0.00 0.00 175.10 174.64 1ozi n ASN 39 N 2.78 0.00 -0.02 3.32 3.02 -1.26 -4.90 115.26 118.20 1ozi n ASN 39 Ca 0.19 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.58 1ozi n ASN 39 Cb 0.39 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.42 1ozi n ASN 39 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ozi n THR 40 N -2.45 1.69 -2.92 3.41 -2.24 -1.26 -4.47 114.28 106.04 1ozi n THR 40 Ca 0.00 -0.71 -0.44 0.00 -2.27 0.00 0.00 64.05 60.63 1ozi n THR 40 Cb 0.00 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 66.81 1ozi n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ozi s SER 41 N -6.59 6.71 -1.22 3.42 1.04 -1.26 -4.93 113.70 110.87 1ozi s SER 41 Ca -0.16 -2.21 -0.20 0.00 0.48 0.00 0.00 55.95 53.86 1ozi s SER 41 Cb 0.07 -2.40 0.03 0.00 0.10 0.00 0.00 66.02 63.82 1ozi s SER 41 CO 0.78 -1.01 1.74 -0.69 0.98 0.00 0.00 173.24 175.04 1ozi s VAL 42 N 2.54 3.95 -1.05 5.02 1.01 -1.26 -4.11 120.40 126.49 1ozi s VAL 42 Ca 0.35 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.73 1ozi s VAL 42 Cb -0.04 -5.01 0.26 0.00 0.00 0.00 0.00 36.38 31.59 1ozi s VAL 42 CO -0.08 -1.78 1.05 0.00 0.00 0.00 0.00 175.10 174.29 1ozi s ARG 43 N 4.88 4.07 0.07 2.72 1.70 -1.26 -5.01 118.95 126.12 1ozi s ARG 43 Ca 0.56 -3.04 0.05 0.00 -0.47 0.00 0.00 55.73 52.83 1ozi s ARG 43 Cb 0.02 -4.54 -0.04 0.00 -0.57 0.00 0.00 34.95 29.82 1ozi s ARG 43 CO 0.06 -1.27 -0.05 -1.58 -1.08 0.00 0.00 175.30 171.38 1ozi s HIS 44 N -0.88 2.88 -0.06 5.89 2.46 -1.26 -4.95 115.29 119.37 1ozi s HIS 44 Ca 0.28 -0.07 -0.11 0.00 0.47 0.00 0.00 55.06 55.64 1ozi s HIS 44 Cb -0.10 -1.53 0.02 0.00 -0.13 0.00 0.00 32.58 30.85 1ozi s HIS 44 CO -0.08 0.43 0.26 0.20 -2.47 0.00 0.00 174.74 173.08 1ozi s GLY 45 N -2.00 -0.15 0.00 1.59 0.00 -1.26 -5.11 107.32 100.39 1ozi s GLY 45 Ca 0.22 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1ozi s GLY 45 CO 0.13 0.37 0.22 0.61 0.00 0.00 0.00 173.10 174.43 1ozi n GLY 46 N 2.25 -1.07 3.36 0.20 0.00 -1.26 -4.82 105.19 103.85 1ozi n GLY 46 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.43 2.25 -0.19 -0.61 -1.09 -0.82 -4.44 121.20 115.88 1ozi s ILE 47 Ca 0.00 -1.23 -0.00 0.00 -2.23 0.00 0.00 60.65 57.18 1ozi s ILE 47 Cb 0.00 -1.86 0.05 0.00 -1.58 0.00 0.00 42.46 39.07 1ozi s ILE 47 CO 0.00 0.45 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.80 1ozi s TYR 48 N -0.75 1.82 -0.27 3.97 1.51 0.18 0.90 117.35 124.71 1ozi s TYR 48 Ca 0.12 -1.24 -0.36 0.00 -1.01 0.00 0.00 57.07 54.58 1ozi s TYR 48 Cb -0.10 -1.36 -0.12 0.00 -0.11 0.00 0.00 41.96 40.27 1ozi s TYR 48 CO 0.01 -0.66 2.01 0.28 -1.11 0.00 0.00 175.55 176.08 1ozi n VAL 49 N 4.84 0.32 -0.03 0.71 0.31 -0.25 -0.91 118.33 123.32 1ozi n VAL 49 Ca -0.12 -0.18 -0.09 0.00 -0.01 0.00 0.00 64.34 63.95 1ozi n VAL 49 Cb 0.47 -1.62 -0.14 0.00 -0.91 0.00 0.00 33.84 31.63 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 7.14 0.64 -3.48 5.55 4.81 0.15 0.19 118.16 133.17 1ozi n LYS 50 Ca 0.33 0.27 -0.12 0.00 -0.87 0.00 0.00 58.31 57.92 1ozi n LYS 50 Cb 0.23 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 33.48 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 -2.59 -1.43 -0.23 3.14 0.00 -0.90 -4.59 121.76 115.18 1ozi s ALA 51 Ca -0.06 0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1ozi s ALA 51 Cb 0.08 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1ozi s ALA 51 CO 0.82 -0.74 -0.01 0.42 0.00 0.00 0.00 175.76 176.26 1ozi s ILE 52 N -3.76 3.67 0.15 0.00 -1.09 -1.26 0.02 121.20 118.93 1ozi s ILE 52 Ca 0.01 -0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 57.73 1ozi s ILE 52 Cb -0.00 -2.68 -0.09 0.00 -1.58 0.00 0.00 42.46 38.11 1ozi s ILE 52 CO -0.13 0.40 1.41 -0.63 -1.23 0.00 0.00 174.94 174.76 1ozi s ILE 53 N 1.47 3.13 -0.76 2.92 1.09 -0.16 -4.89 121.20 124.00 1ozi s ILE 53 Ca 0.05 0.84 -0.05 0.00 -1.10 0.00 0.00 60.65 60.40 1ozi s ILE 53 Cb -0.14 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 1ozi s ILE 53 CO -0.01 0.08 1.92 -2.65 -0.10 0.00 0.00 174.94 174.18 1ozi n PRO 54 N 3.58 1.73 -0.46 2.79 -0.02 -1.26 -3.62 135.00 137.74 1ozi n PRO 54 Ca 0.10 -1.30 0.01 0.00 -2.02 0.00 0.00 63.50 60.29 1ozi n PRO 54 Cb 0.42 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 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 4.37 0.07 0.00 -0.52 3.00 -1.26 -5.12 118.16 118.70 1ozi n LYS 55 Ca 0.37 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.62 1ozi n LYS 55 Cb 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 34.59 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 -0.07 -0.15 5.82 3.14 0.00 -1.24 -4.72 105.19 107.98 1ozi n GLY 56 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 5.07 0.00 0.07 4.61 0.00 -1.26 -3.77 120.51 125.23 1ozi n ALA 57 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1ozi n ALA 57 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.31 0.26 0.17 0.00 0.00 -1.87 -2.35 119.26 115.16 1ozi h ALA 58 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 54.91 53.87 1ozi h ALA 58 Cb 0.00 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ozi h ALA 58 CO 0.00 0.79 -1.32 1.49 0.00 0.00 0.00 179.25 180.21 1ozi h GLU 59 N 0.25 0.53 0.00 0.00 4.81 -1.72 -1.50 114.58 116.95 1ozi h GLU 59 Ca -0.10 -0.80 -0.14 0.00 -0.13 0.00 0.00 59.36 58.19 1ozi h GLU 59 Cb 1.67 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 31.31 1ozi h GLU 59 CO 0.18 1.37 -0.65 0.66 -0.73 0.00 0.00 179.01 179.83 1ozi h SER 60 N 0.20 0.00 0.87 1.04 4.64 -1.78 -1.79 113.55 116.72 1ozi h SER 60 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1ozi h SER 60 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1ozi h SER 60 CO 0.25 0.65 -0.58 -0.67 -0.87 0.00 0.00 176.83 175.61 1ozi n ASP 61 N -3.45 0.68 -3.56 4.97 2.03 -0.88 -4.97 116.55 111.36 1ozi n ASP 61 Ca 0.00 0.12 -0.23 0.00 0.52 0.00 0.00 54.79 55.20 1ozi n ASP 61 Cb 0.73 0.11 0.05 0.00 -0.72 0.00 0.00 41.12 41.28 1ozi n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ozi n GLY 62 N 1.35 -0.80 0.66 0.27 0.00 -0.61 -4.92 105.19 101.14 1ozi n GLY 62 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.94 0.00 -4.61 1.61 5.12 -0.93 -5.01 116.66 108.90 1ozi n ARG 63 Ca -0.16 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.43 1ozi n ARG 63 Cb 0.63 -0.66 -0.12 0.00 -1.16 0.00 0.00 32.46 31.14 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 -1.99 3.63 0.36 0.55 1.01 -1.23 -5.09 121.20 118.43 1ozi s ILE 64 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1ozi s ILE 64 Cb 0.00 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1ozi s ILE 64 CO 0.00 0.56 0.19 -1.00 0.00 0.00 0.00 174.94 174.69 1ozi s HIS 65 N -0.37 1.73 0.04 3.97 3.76 -1.26 -4.17 115.29 118.99 1ozi s HIS 65 Ca 0.05 -1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 53.22 1ozi s HIS 65 Cb -0.12 -0.95 -0.07 0.00 1.11 0.00 0.00 32.58 32.55 1ozi s HIS 65 CO 0.02 -0.54 1.55 -1.59 -0.85 0.00 0.00 174.74 173.34 1ozi s LYS 66 N -3.64 4.23 0.00 1.40 -2.85 -1.26 -2.47 119.74 115.15 1ozi s LYS 66 Ca 0.32 2.19 0.00 0.00 -1.00 0.00 0.00 55.97 57.48 1ozi s LYS 66 Cb 0.03 -3.58 0.00 0.00 -2.06 0.00 0.00 37.83 32.22 1ozi s LYS 66 CO 0.20 -0.67 0.00 0.41 0.10 0.00 0.00 175.35 175.38 1ozi n GLY 67 N 3.86 1.06 3.87 0.59 0.00 0.13 -5.00 105.19 109.70 1ozi n GLY 67 Ca 0.15 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.06 6.52 -0.01 1.61 1.01 -1.03 -3.71 116.67 119.00 1ozi s ASP 68 Ca 0.00 0.60 -0.16 0.00 0.71 0.00 0.00 52.55 53.70 1ozi s ASP 68 Cb 0.00 -2.11 -0.06 0.00 1.01 0.00 0.00 42.92 41.76 1ozi s ASP 68 CO 0.00 0.31 0.43 -0.60 0.21 0.00 0.00 175.17 175.52 1ozi s ARG 69 N -1.42 4.00 -0.29 8.23 3.52 0.01 -1.09 118.95 131.90 1ozi s ARG 69 Ca 0.23 0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 56.19 1ozi s ARG 69 Cb -0.13 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1ozi s ARG 69 CO 0.12 0.61 0.10 0.08 -0.81 0.00 0.00 175.30 175.40 1ozi s VAL 70 N -0.85 4.19 -0.04 7.11 1.01 0.26 -0.81 120.40 131.26 1ozi s VAL 70 Ca 0.24 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1ozi s VAL 70 Cb -0.17 -3.13 -0.28 0.00 0.00 0.00 0.00 36.38 32.81 1ozi s VAL 70 CO 0.13 0.11 0.67 -0.07 0.00 0.00 0.00 175.10 175.94 1ozi h LEU 71 N 8.27 0.44 -7.86 3.92 3.38 -0.96 -2.18 115.31 120.33 1ozi h LEU 71 Ca -0.32 -0.71 0.16 0.00 0.09 0.00 0.00 57.88 57.09 1ozi h LEU 71 Cb 1.14 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1ozi h LEU 71 CO 0.61 1.61 0.54 0.00 0.09 0.00 0.00 178.44 181.28 1ozi s ALA 72 N -2.59 -1.56 -0.20 1.53 0.00 -0.32 -0.73 121.76 117.90 1ozi s ALA 72 Ca -0.14 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1ozi s ALA 72 Cb 0.06 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1ozi s ALA 72 CO 0.83 -1.05 -0.17 0.08 0.00 0.00 0.00 175.76 175.45 1ozi s VAL 73 N -2.51 2.25 -1.68 0.00 1.01 -0.95 0.41 120.40 118.93 1ozi s VAL 73 Ca 0.18 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1ozi s VAL 73 Cb -0.02 -2.00 0.15 0.00 0.00 0.00 0.00 36.38 34.50 1ozi s VAL 73 CO 0.05 0.45 0.80 -0.46 0.00 0.00 0.00 175.10 175.94 1ozi n ASN 74 N 4.62 -3.39 0.00 3.32 0.23 -0.39 -0.39 115.26 119.26 1ozi n ASN 74 Ca -0.20 -0.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 1ozi n ASN 74 Cb 0.49 -2.89 0.00 0.00 -2.08 0.00 0.00 39.78 35.30 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 -1.45 1.72 3.46 4.83 0.00 -1.26 -5.00 105.19 107.50 1ozi n GLY 75 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.96 4.68 -0.11 1.61 1.01 0.47 -4.98 120.40 120.11 1ozi s VAL 76 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 61.98 61.27 1ozi s VAL 76 Cb 0.00 -4.43 -0.15 0.00 0.00 0.00 0.00 36.38 31.80 1ozi s VAL 76 CO 0.00 -1.00 1.68 -1.20 0.00 0.00 0.00 175.10 174.57 1ozi n SER 77 N 6.71 2.55 -0.12 3.32 7.64 -1.26 -2.23 113.62 130.24 1ozi n SER 77 Ca -0.04 1.06 0.01 0.00 1.01 0.00 0.00 58.87 60.91 1ozi n SER 77 Cb 0.46 -1.23 0.02 0.00 -1.01 0.00 0.00 64.21 62.44 1ozi n SER 77 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ozi n LEU 78 N 4.89 1.37 -4.62 -3.43 7.94 0.09 -4.93 117.00 118.31 1ozi n LEU 78 Ca 0.23 -1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 53.56 1ozi n LEU 78 Cb 0.20 -0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.12 1ozi n LEU 78 CO 0.73 0.32 1.21 -1.61 -1.11 0.00 0.00 177.39 176.93 1ozi s GLU 79 N -0.34 3.81 0.00 1.96 2.02 -0.89 -1.58 118.70 123.69 1ozi s GLU 79 Ca 0.04 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.30 1ozi s GLU 79 Cb 0.02 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1ozi s GLU 79 CO 0.04 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 174.46 1ozi n GLY 80 N 4.56 0.89 3.96 -1.39 0.00 -1.26 -4.93 105.19 107.03 1ozi n GLY 80 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.88 3.89 0.24 4.61 0.00 -0.61 -5.11 121.76 122.90 1ozi s ALA 81 Ca 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1ozi s ALA 81 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1ozi s ALA 81 CO 0.00 -0.29 0.33 -0.08 0.00 0.00 0.00 175.76 175.72 1ozi s THR 82 N -2.46 5.10 0.24 0.00 -1.32 -1.26 -4.85 115.64 111.09 1ozi s THR 82 Ca 0.48 -1.06 -0.06 0.00 -1.21 0.00 0.00 61.69 59.84 1ozi s THR 82 Cb -0.10 -3.78 0.21 0.00 -1.51 0.00 0.00 72.50 67.33 1ozi s THR 82 CO 0.36 -0.33 1.71 1.12 -2.21 0.00 0.00 174.62 175.27 1ozi h HIS 83 N 1.22 0.35 -0.93 9.09 2.07 -1.88 0.16 115.15 125.24 1ozi h HIS 83 Ca -0.51 0.04 0.03 0.00 -2.85 0.00 0.00 60.37 57.08 1ozi h HIS 83 Cb 1.23 -0.05 -0.05 0.00 2.57 0.00 0.00 27.41 31.11 1ozi h HIS 83 CO 0.47 -0.02 0.61 -0.22 -3.07 0.00 0.00 177.93 175.70 1ozi h LYS 84 N 0.33 1.15 -0.17 5.12 3.11 -1.95 -0.34 116.57 123.82 1ozi h LYS 84 Ca 0.39 -0.07 -0.17 0.00 -2.81 0.00 0.00 60.65 57.99 1ozi h LYS 84 Cb 0.63 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1ozi h LYS 84 CO -0.45 0.76 -0.60 1.96 -2.81 0.00 0.00 179.45 178.32 1ozi h GLN 85 N 1.19 0.56 -0.30 1.90 1.08 -1.44 -0.02 115.11 118.07 1ozi h GLN 85 Ca 0.37 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1ozi h GLN 85 Cb -0.01 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1ozi h GLN 85 CO -0.11 0.99 0.19 0.00 -0.95 0.00 0.00 178.83 178.96 1ozi h ALA 86 N 0.92 0.38 0.00 3.87 0.00 -0.31 -0.66 119.26 123.46 1ozi h ALA 86 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1ozi h ALA 86 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ozi h ALA 86 CO 0.11 -0.16 -0.33 0.28 0.00 0.00 0.00 179.25 179.15 1ozi h VAL 87 N 0.39 1.11 -0.01 0.00 2.07 -0.87 -0.94 116.25 118.01 1ozi h VAL 87 Ca 0.11 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1ozi h VAL 87 Cb -0.04 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ozi h VAL 87 CO -0.03 0.32 -0.41 -0.33 0.02 0.00 0.00 177.57 177.14 1ozi h GLU 88 N 0.00 0.02 0.00 1.57 4.39 -0.17 0.13 114.58 120.52 1ozi h GLU 88 Ca -0.00 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1ozi h GLU 88 Cb 0.63 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1ozi h GLU 88 CO 0.04 0.42 -0.48 1.15 -1.16 0.00 0.00 179.01 178.98 1ozi h THR 89 N 0.02 0.87 0.00 1.13 2.02 -0.05 0.17 112.91 117.07 1ozi h THR 89 Ca -0.00 -2.10 -0.05 0.00 0.77 0.00 0.00 66.41 65.02 1ozi h THR 89 Cb 0.73 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1ozi h THR 89 CO 0.05 0.47 -0.26 -0.07 0.37 0.00 0.00 175.52 176.09 1ozi h LEU 90 N 0.00 0.00 0.00 2.58 3.38 0.07 -0.42 115.31 120.91 1ozi h LEU 90 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1ozi h LEU 90 Cb 1.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1ozi h LEU 90 CO 0.06 0.26 -1.27 0.03 0.09 0.00 0.00 178.44 177.61 1ozi h ARG 91 N 0.00 0.00 -0.38 1.13 3.08 -0.42 -3.27 114.38 114.51 1ozi h ARG 91 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ozi h ARG 91 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1ozi h ARG 91 CO 0.03 0.71 0.17 -0.97 -1.07 0.00 0.00 179.97 178.85 1ozi h ASN 92 N 0.00 0.51 -4.17 7.04 -0.73 -0.23 -3.42 115.58 114.58 1ozi h ASN 92 Ca -0.13 -0.14 -0.50 0.00 1.87 0.00 0.00 56.30 57.40 1ozi h ASN 92 Cb 1.83 -0.13 0.08 0.00 0.27 0.00 0.00 38.32 40.36 1ozi h ASN 92 CO 0.10 0.51 0.39 0.42 -0.37 0.00 0.00 177.43 178.48 1ozi s THR 93 N -5.66 3.43 0.00 -3.57 -4.23 -0.21 -5.04 115.64 100.37 1ozi s THR 93 Ca -0.13 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1ozi s THR 93 Cb 0.10 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1ozi s THR 93 CO 0.74 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1ozi n GLY 94 N -0.51 0.79 0.11 3.99 0.00 -1.26 -4.85 105.19 103.45 1ozi n GLY 94 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 0.27 -5.22 1.61 4.15 -1.94 -3.44 115.11 110.55 1ozi h GLN 95 Ca 0.00 -0.45 -0.67 0.00 0.77 0.00 0.00 58.65 58.30 1ozi h GLN 95 Cb 0.00 0.17 -0.30 0.00 0.21 0.00 0.00 27.48 27.56 1ozi h GLN 95 CO 0.00 1.21 -0.80 0.08 -1.93 0.00 0.00 178.83 177.39 1ozi s VAL 96 N -2.69 2.67 -0.22 2.39 1.01 -1.26 0.13 120.40 122.43 1ozi s VAL 96 Ca -0.04 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1ozi s VAL 96 Cb 0.07 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1ozi s VAL 96 CO 0.88 0.52 0.12 -0.69 0.00 0.00 0.00 175.10 175.93 1ozi s VAL 97 N 0.73 5.11 -0.88 2.92 1.01 0.88 -4.92 120.40 125.25 1ozi s VAL 97 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1ozi s VAL 97 Cb -0.16 -3.35 0.34 0.00 0.00 0.00 0.00 36.38 33.22 1ozi s VAL 97 CO 0.01 0.39 1.92 1.41 0.00 0.00 0.00 175.10 178.83 1ozi n HIS 98 N 4.01 2.96 -1.83 5.22 8.25 -1.25 0.02 115.22 132.59 1ozi n HIS 98 Ca -0.16 -2.45 -0.37 0.00 -0.26 0.00 0.00 57.72 54.48 1ozi n HIS 98 Cb 0.52 -1.13 0.05 0.00 1.12 0.00 0.00 29.99 30.55 1ozi n HIS 98 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ozi s LEU 99 N -4.12 3.64 -0.24 2.41 2.96 0.51 -1.26 118.68 122.58 1ozi s LEU 99 Ca 0.48 2.58 -0.05 0.00 -0.22 0.00 0.00 54.13 56.92 1ozi s LEU 99 Cb 0.37 -4.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.49 1ozi s LEU 99 CO -0.32 -1.82 -0.00 -0.22 -1.32 0.00 0.00 176.35 172.66 1ozi s LEU 100 N -4.15 3.18 0.42 -0.68 0.20 0.17 0.64 118.68 118.46 1ozi s LEU 100 Ca 0.80 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 55.21 1ozi s LEU 100 Cb -0.36 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 1ozi s LEU 100 CO 0.39 -0.06 0.05 -0.76 -0.29 0.00 0.00 176.35 175.67 1ozi s LEU 101 N 1.50 2.33 0.05 -0.68 1.02 0.21 -0.34 118.68 122.77 1ozi s LEU 101 Ca 0.05 -1.53 0.04 0.00 0.02 0.00 0.00 54.13 52.71 1ozi s LEU 101 Cb -0.15 -0.54 -0.02 0.00 0.02 0.00 0.00 46.19 45.49 1ozi s LEU 101 CO -0.01 -0.72 -0.11 -0.70 0.02 0.00 0.00 176.35 174.83 1ozi s GLU 102 N -3.80 0.69 -1.14 1.70 2.12 0.01 -0.30 118.70 117.97 1ozi s GLU 102 Ca 0.24 -0.80 -0.19 0.00 0.36 0.00 0.00 54.97 54.58 1ozi s GLU 102 Cb 0.05 -0.60 0.08 0.00 0.26 0.00 0.00 34.13 33.93 1ozi s GLU 102 CO 0.12 0.13 1.52 0.21 -0.54 0.00 0.00 175.26 176.71 1ozi s LYS 103 N -1.48 3.81 -0.65 4.30 2.36 -0.77 -0.81 119.74 126.50 1ozi s LYS 103 Ca -0.04 -1.73 -0.27 0.00 -2.55 0.00 0.00 55.97 51.37 1ozi s LYS 103 Cb -0.09 -5.34 0.02 0.00 -1.05 0.00 0.00 37.83 31.36 1ozi s LYS 103 CO 0.01 -2.12 1.42 0.20 1.55 0.00 0.00 175.35 176.41 1ozi s GLY 104 N 4.25 0.79 1.31 5.54 0.00 -1.24 -0.51 107.32 117.44 1ozi s GLY 104 Ca 0.47 -0.98 -0.21 0.00 0.00 0.00 0.00 44.72 44.00 1ozi s GLY 104 CO -0.02 2.82 1.03 1.20 0.00 0.00 0.00 173.10 178.13 1ozi s GLN 105 N 5.82 -2.03 -0.02 2.90 -1.52 -1.26 -4.25 119.66 119.30 1ozi s GLN 105 Ca 0.47 0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.62 1ozi s GLN 105 Cb -0.10 -1.49 -0.04 0.00 -0.22 0.00 0.00 33.01 31.17 1ozi s GLN 105 CO 0.20 -4.27 1.17 0.08 -0.25 0.00 0.00 175.29 172.22 1ozi s VAL 106 N -2.66 4.27 -1.87 1.09 1.01 -1.26 -5.01 120.40 115.98 1ozi s VAL 106 Ca 0.70 1.61 0.00 0.00 0.00 0.00 0.00 61.98 64.29 1ozi s VAL 106 Cb -0.12 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1ozi s VAL 106 CO 0.57 0.04 0.47 -2.65 0.00 0.00 0.00 175.10 173.53