#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 2.16 -0.59 -1.58 -0.04 -1.26 -2.23 135.00 131.46 1ozi n PRO 10 Ca 0.00 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1ozi n PRO 10 Cb 0.00 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 3.02 0.72 3.67 0.55 0.00 0.15 -4.93 105.19 108.36 1ozi n GLY 11 Ca 0.15 0.00 -0.27 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 -2.16 4.80 0.04 1.61 2.15 -0.95 -4.83 116.67 117.34 1ozi s ASP 12 Ca 0.00 -0.38 -0.22 0.00 0.43 0.00 0.00 52.55 52.38 1ozi s ASP 12 Cb 0.00 -1.04 -0.06 0.00 -0.30 0.00 0.00 42.92 41.53 1ozi s ASP 12 CO 0.00 0.09 0.67 0.42 -0.17 0.00 0.00 175.17 176.19 1ozi s THR 13 N -1.70 4.77 -0.04 1.71 -4.23 -1.26 -0.33 115.64 114.56 1ozi s THR 13 Ca 0.27 1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 62.11 1ozi s THR 13 Cb -0.09 -4.01 0.02 0.00 1.34 0.00 0.00 72.50 69.75 1ozi s THR 13 CO 0.19 0.42 0.23 0.72 -0.54 0.00 0.00 174.62 175.64 1ozi s PHE 14 N -0.34 -0.14 -0.15 3.99 -0.71 0.66 -4.96 117.98 116.32 1ozi s PHE 14 Ca 0.34 0.30 -0.05 0.00 -1.04 0.00 0.00 56.93 56.47 1ozi s PHE 14 Cb -0.20 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1ozi s PHE 14 CO 0.20 -0.25 0.02 -1.21 -1.34 0.00 0.00 175.22 172.65 1ozi s GLU 15 N -0.75 3.69 -0.06 1.99 2.02 -1.26 -0.07 118.70 124.26 1ozi s GLU 15 Ca -0.08 -0.40 0.05 0.00 0.02 0.00 0.00 54.97 54.56 1ozi s GLU 15 Cb -0.05 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 1ozi s GLU 15 CO 0.02 0.36 -0.23 0.08 0.02 0.00 0.00 175.26 175.51 1ozi s VAL 16 N 0.08 2.27 -0.77 2.63 1.01 0.11 -4.96 120.40 120.78 1ozi s VAL 16 Ca 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1ozi s VAL 16 Cb -0.13 -1.84 0.19 0.00 0.00 0.00 0.00 36.38 34.61 1ozi s VAL 16 CO 0.01 0.57 0.63 -0.70 0.00 0.00 0.00 175.10 175.61 1ozi s GLU 17 N -0.24 3.03 -0.23 2.72 2.12 -1.25 0.37 118.70 125.22 1ozi s GLU 17 Ca -0.01 -2.80 -0.11 0.00 0.36 0.00 0.00 54.97 52.41 1ozi s GLU 17 Cb -0.13 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.27 1ozi s GLU 17 CO 0.03 -1.22 0.19 -1.17 -0.54 0.00 0.00 175.26 172.55 1ozi s LEU 18 N -0.51 4.13 -0.01 2.70 1.98 0.89 -4.83 118.68 123.03 1ozi s LEU 18 Ca 0.21 0.19 -0.06 0.00 -2.89 0.00 0.00 54.13 51.58 1ozi s LEU 18 Cb -0.14 -2.17 -0.05 0.00 0.66 0.00 0.00 46.19 44.50 1ozi s LEU 18 CO -0.07 0.06 0.24 0.00 -1.89 0.00 0.00 176.35 174.68 1ozi s ALA 19 N 1.00 3.88 0.41 5.97 0.00 -1.26 0.42 121.76 132.17 1ozi s ALA 19 Ca 0.09 -0.62 -0.25 0.00 0.00 0.00 0.00 51.96 51.18 1ozi s ALA 19 Cb -0.13 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 1ozi s ALA 19 CO 0.04 0.67 1.23 0.15 0.00 0.00 0.00 175.76 177.85 1ozi s LYS 20 N -1.73 3.99 0.00 0.00 3.01 0.14 -4.69 119.74 120.46 1ozi s LYS 20 Ca 0.26 1.98 0.00 0.00 -1.01 0.00 0.00 55.97 57.21 1ozi s LYS 20 Cb -0.13 -2.70 0.00 0.00 -1.01 0.00 0.00 37.83 33.99 1ozi s LYS 20 CO 0.16 -0.42 0.00 0.25 0.51 0.00 0.00 175.35 175.85 1ozi n THR 21 N 0.07 0.00 0.18 2.17 -2.24 0.13 -4.90 114.28 109.68 1ozi n THR 21 Ca 0.04 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.00 1ozi n THR 21 Cb 0.45 -1.42 0.80 0.00 -2.10 0.00 0.00 70.33 68.06 1ozi n THR 21 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ozi h ASP 22 N 0.00 0.00 -1.84 3.42 3.58 -1.96 -3.16 116.42 116.46 1ozi h ASP 22 Ca 0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1ozi h ASP 22 Cb 0.00 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 40.64 1ozi h ASP 22 CO 0.00 0.00 -0.98 0.61 -2.88 0.00 0.00 179.24 175.99 1ozi n GLY 23 N -1.44 4.10 7.00 -0.78 0.00 -1.26 -5.10 105.19 107.70 1ozi n GLY 23 Ca 0.03 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozi n SER 24 N -0.03 -0.72 0.00 1.61 2.88 -1.19 -4.64 113.62 111.53 1ozi n SER 24 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1ozi n SER 24 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1ozi n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ozi n LEU 25 N 0.00 0.63 0.00 2.46 4.32 -1.26 0.17 117.00 123.32 1ozi n LEU 25 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 1ozi n LEU 25 Cb 0.00 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1ozi n LEU 25 CO 0.00 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.62 1ozi n GLY 26 N 0.27 0.18 3.44 -0.72 0.00 -1.26 -4.35 105.19 102.75 1ozi n GLY 26 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.85 -0.22 -0.61 -4.36 -1.26 -0.95 121.20 118.64 1ozi s ILE 27 Ca 0.00 -0.57 -0.10 0.00 -0.26 0.00 0.00 60.65 59.72 1ozi s ILE 27 Cb 0.00 -3.60 -0.05 0.00 1.25 0.00 0.00 42.46 40.07 1ozi s ILE 27 CO 0.00 -0.12 0.13 -0.44 0.24 0.00 0.00 174.94 174.75 1ozi s SER 28 N 1.63 5.94 0.16 4.36 0.01 -0.67 -5.01 113.70 120.12 1ozi s SER 28 Ca 0.04 0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.46 1ozi s SER 28 Cb -0.18 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1ozi s SER 28 CO 0.08 0.09 -0.01 0.68 0.41 0.00 0.00 173.24 174.49 1ozi s VAL 29 N 0.89 3.71 0.21 3.43 -7.23 -1.26 0.43 120.40 120.58 1ozi s VAL 29 Ca 0.06 -1.38 0.11 0.00 -1.81 0.00 0.00 61.98 58.96 1ozi s VAL 29 Cb -0.13 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1ozi s VAL 29 CO 0.03 -0.07 -0.21 0.28 -0.31 0.00 0.00 175.10 174.81 1ozi s THR 30 N -1.65 2.26 -0.16 5.32 -1.32 0.41 -4.74 115.64 115.76 1ozi s THR 30 Ca 0.27 -2.13 -0.03 0.00 -1.21 0.00 0.00 61.69 58.58 1ozi s THR 30 Cb -0.10 -2.12 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 1ozi s THR 30 CO 0.18 -0.27 -0.06 0.68 -2.21 0.00 0.00 174.62 172.94 1ozi s VAL 31 N -2.07 3.61 0.28 5.08 -7.23 -1.26 -1.84 120.40 116.97 1ozi s VAL 31 Ca 0.23 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.79 1ozi s VAL 31 Cb -0.06 -2.58 0.06 0.00 0.56 0.00 0.00 36.38 34.36 1ozi s VAL 31 CO 0.11 0.49 0.80 0.00 -0.31 0.00 0.00 175.10 176.18 1ozi n LEU 32 N 3.70 0.00 0.00 1.32 -0.00 -1.21 -5.03 117.00 115.79 1ozi n LEU 32 Ca -0.18 -1.90 0.00 0.00 -0.00 0.00 0.00 56.01 53.93 1ozi n LEU 32 Cb 0.52 3.06 0.00 0.00 -0.00 0.00 0.00 43.42 47.00 1ozi n LEU 32 CO 0.32 -0.63 -0.06 2.22 -0.00 0.00 0.00 177.39 179.23 1ozi n PHE 33 N -0.55 0.00 -2.69 1.47 -1.74 -1.26 -3.95 117.46 108.73 1ozi n PHE 33 Ca -0.05 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.41 1ozi n PHE 33 Cb 0.53 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.50 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1ozi s ASP 34 N -2.14 7.00 0.01 5.98 1.01 -1.26 -4.16 116.67 123.12 1ozi s ASP 34 Ca 0.00 1.21 -0.01 0.00 0.71 0.00 0.00 52.55 54.47 1ozi s ASP 34 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1ozi s ASP 34 CO 0.00 -0.71 -0.01 -0.75 0.21 0.00 0.00 175.17 173.91 1ozi s LYS 35 N 3.28 0.26 0.00 8.23 2.20 -1.26 -5.03 119.74 127.41 1ozi s LYS 35 Ca 0.43 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 1ozi s LYS 35 Cb -0.14 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1ozi s LYS 35 CO 0.09 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 1ozi n GLY 36 N 1.91 2.51 0.00 5.54 0.00 -1.26 -3.46 105.19 110.44 1ozi n GLY 36 Ca -0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 2.52 0.46 0.13 -0.02 0.00 -1.26 -4.40 105.19 102.62 1ozi n GLY 37 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 46.02 44.72 1ozi n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ozi h VAL 38 N 0.00 0.77 -3.78 1.61 3.04 -2.00 -3.46 116.25 112.42 1ozi h VAL 38 Ca 0.00 -2.13 -0.23 0.00 -1.01 0.00 0.00 66.70 63.33 1ozi h VAL 38 Cb 0.00 2.33 -0.15 0.00 -2.01 0.00 0.00 31.29 31.46 1ozi h VAL 38 CO 0.00 0.44 -0.70 0.21 -1.01 0.00 0.00 177.57 176.51 1ozi s ASN 39 N -6.31 1.19 -0.82 3.17 2.47 -1.26 -5.07 114.94 108.30 1ozi s ASN 39 Ca 0.03 -1.00 -0.25 0.00 0.42 0.00 0.00 52.86 52.06 1ozi s ASN 39 Cb 0.08 0.09 -0.02 0.00 -1.45 0.00 0.00 41.25 39.94 1ozi s ASN 39 CO 0.76 -0.45 1.80 -0.89 -3.72 0.00 0.00 177.10 174.59 1ozi s THR 40 N -3.54 3.51 0.27 -5.21 2.01 -1.26 -4.60 115.64 106.82 1ozi s THR 40 Ca 0.12 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 1ozi s THR 40 Cb 0.05 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 1ozi s THR 40 CO -0.04 -1.15 0.98 -0.44 -0.69 0.00 0.00 174.62 173.28 1ozi s SER 41 N 7.26 7.45 0.61 3.53 0.01 -1.22 -5.01 113.70 126.33 1ozi s SER 41 Ca 0.63 2.00 -0.18 0.00 1.31 0.00 0.00 55.95 59.71 1ozi s SER 41 Cb -0.08 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1ozi s SER 41 CO 0.06 0.01 1.18 0.68 0.41 0.00 0.00 173.24 175.58 1ozi s VAL 42 N -1.29 2.75 -2.59 3.43 -7.23 -1.26 -4.51 120.40 109.69 1ozi s VAL 42 Ca 0.45 0.44 0.24 0.00 -1.81 0.00 0.00 61.98 61.30 1ozi s VAL 42 Cb -0.25 -3.11 0.40 0.00 0.56 0.00 0.00 36.38 33.98 1ozi s VAL 42 CO 0.32 -0.13 1.50 -2.11 -0.31 0.00 0.00 175.10 174.37 1ozi n ARG 43 N -1.80 2.03 -2.90 4.82 1.85 -1.26 -4.26 116.66 115.15 1ozi n ARG 43 Ca 0.13 -1.52 -0.44 0.00 -1.00 0.00 0.00 57.85 55.03 1ozi n ARG 43 Cb 0.50 -1.46 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 1ozi n ARG 43 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ozi s HIS 44 N -1.86 3.01 0.31 2.89 2.46 -1.26 -4.12 115.29 116.73 1ozi s HIS 44 Ca 0.34 -1.22 -0.17 0.00 0.47 0.00 0.00 55.06 54.48 1ozi s HIS 44 Cb 0.20 -4.31 0.03 0.00 -0.13 0.00 0.00 32.58 28.37 1ozi s HIS 44 CO 0.31 -1.54 0.69 0.20 -2.47 0.00 0.00 174.74 171.93 1ozi s GLY 45 N 3.73 0.26 0.13 1.59 0.00 -1.26 -5.09 107.32 106.67 1ozi s GLY 45 Ca 0.32 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1ozi s GLY 45 CO -0.06 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1ozi n GLY 46 N -0.48 -0.14 3.59 0.20 0.00 -1.25 -4.46 105.19 102.64 1ozi n GLY 46 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 4.96 -0.16 -0.61 -1.09 -1.26 -3.28 121.20 117.76 1ozi s ILE 47 Ca 0.00 0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1ozi s ILE 47 Cb 0.00 -3.31 0.05 0.00 -1.58 0.00 0.00 42.46 37.62 1ozi s ILE 47 CO 0.00 0.35 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.73 1ozi s TYR 48 N 1.20 1.42 -0.31 3.97 1.51 -0.77 0.24 117.35 124.61 1ozi s TYR 48 Ca 0.06 -0.94 -0.40 0.00 -1.01 0.00 0.00 57.07 54.79 1ozi s TYR 48 Cb -0.14 -1.18 -0.15 0.00 -0.11 0.00 0.00 41.96 40.37 1ozi s TYR 48 CO 0.05 -0.58 1.85 0.28 -1.11 0.00 0.00 175.55 176.03 1ozi n VAL 49 N 4.95 0.27 -0.04 0.71 0.31 -0.26 -0.44 118.33 123.82 1ozi n VAL 49 Ca -0.10 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.04 1ozi n VAL 49 Cb 0.48 -1.24 -0.14 0.00 -0.91 0.00 0.00 33.84 32.02 1ozi n VAL 49 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ozi n LYS 50 N 5.99 0.66 -3.53 5.55 4.81 0.17 -0.45 118.16 131.35 1ozi n LYS 50 Ca 0.31 0.22 -0.09 0.00 -0.87 0.00 0.00 58.31 57.88 1ozi n LYS 50 Cb 0.13 -1.72 -0.03 0.00 0.02 0.00 0.00 35.03 33.44 1ozi n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ozi s ALA 51 N -2.57 -1.86 -0.24 3.14 0.00 -0.80 -4.72 121.76 114.71 1ozi s ALA 51 Ca -0.08 1.20 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1ozi s ALA 51 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1ozi s ALA 51 CO 0.82 -0.57 0.00 0.42 0.00 0.00 0.00 175.76 176.43 1ozi s ILE 52 N -2.49 3.71 0.00 0.00 -1.09 -1.25 -1.67 121.20 118.40 1ozi s ILE 52 Ca 0.03 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 1ozi s ILE 52 Cb -0.01 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1ozi s ILE 52 CO -0.05 0.35 0.00 -0.38 -1.23 0.00 0.00 174.94 173.63 1ozi n ILE 53 N 4.84 0.00 -0.00 2.92 -0.00 -0.13 -5.02 119.36 121.96 1ozi n ILE 53 Ca -0.17 0.26 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 1ozi n ILE 53 Cb 0.51 -1.24 0.00 0.00 -0.00 0.00 0.00 39.64 38.91 1ozi n ILE 53 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1ozi n PRO 54 N -2.37 0.00 -0.28 0.38 -0.02 -1.26 -4.85 135.00 126.59 1ozi n PRO 54 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 1ozi n PRO 54 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 33.58 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 -0.67 -0.09 0.00 -0.52 3.00 -1.26 -4.83 118.16 113.80 1ozi n LYS 55 Ca 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 58.31 59.52 1ozi n LYS 55 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.22 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 -1.47 -1.63 5.70 3.14 0.00 -1.26 -4.86 105.19 104.81 1ozi n GLY 56 Ca 0.12 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -3.00 0.00 -0.09 4.61 0.00 -1.26 -2.46 120.51 118.30 1ozi n ALA 57 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 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 -0.70 0.52 0.02 0.00 0.00 -1.84 -1.03 119.26 116.24 1ozi h ALA 58 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1ozi h ALA 58 Cb 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ozi h ALA 58 CO 0.00 0.68 -0.82 1.49 0.00 0.00 0.00 179.25 180.60 1ozi h GLU 59 N 0.71 0.51 -0.03 0.00 4.81 -1.63 -0.44 114.58 118.51 1ozi h GLU 59 Ca 0.04 -0.58 -0.21 0.00 -0.13 0.00 0.00 59.36 58.47 1ozi h GLU 59 Cb 1.08 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ozi h GLU 59 CO 0.11 1.21 -0.85 0.66 -0.73 0.00 0.00 179.01 179.41 1ozi h SER 60 N 0.06 0.50 0.92 1.04 4.64 -1.69 -2.19 113.55 116.83 1ozi h SER 60 Ca -0.11 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 1ozi h SER 60 Cb 1.52 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1ozi h SER 60 CO 0.16 1.15 -0.45 0.44 -0.87 0.00 0.00 176.83 177.26 1ozi h ASP 61 N 0.24 0.00 -4.25 4.97 3.32 -1.29 -3.48 116.42 115.94 1ozi h ASP 61 Ca -0.06 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.76 1ozi h ASP 61 Cb 1.46 0.00 0.10 0.00 0.22 0.00 0.00 39.33 41.11 1ozi h ASP 61 CO 0.15 0.45 -0.47 0.61 -1.72 0.00 0.00 179.24 178.26 1ozi n GLY 62 N 0.42 -0.05 0.63 2.75 0.00 -0.23 -4.95 105.19 103.77 1ozi n GLY 62 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.23 0.25 -3.83 1.61 1.74 -0.86 -4.97 116.66 107.37 1ozi n ARG 63 Ca -0.09 0.10 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 1ozi n ARG 63 Cb 0.57 -0.92 -0.09 0.00 -1.02 0.00 0.00 32.46 31.01 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 -2.30 5.20 0.33 0.55 1.01 -1.23 -5.08 121.20 119.68 1ozi s ILE 64 Ca -0.15 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1ozi s ILE 64 Cb 0.04 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1ozi s ILE 64 CO 0.20 0.45 0.11 -1.00 0.00 0.00 0.00 174.94 174.71 1ozi s HIS 65 N 0.34 1.72 0.10 3.97 3.76 -1.26 -4.07 115.29 119.86 1ozi s HIS 65 Ca 0.06 -1.21 -0.30 0.00 -0.15 0.00 0.00 55.06 53.46 1ozi s HIS 65 Cb -0.11 -1.05 -0.06 0.00 1.11 0.00 0.00 32.58 32.47 1ozi s HIS 65 CO -0.01 -0.30 1.16 -1.59 -0.85 0.00 0.00 174.74 173.15 1ozi s LYS 66 N -3.85 4.49 0.00 1.40 -2.85 -1.26 -2.52 119.74 115.15 1ozi s LYS 66 Ca 0.33 1.74 0.00 0.00 -1.00 0.00 0.00 55.97 57.04 1ozi s LYS 66 Cb 0.06 -3.33 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 1ozi s LYS 66 CO 0.15 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.88 1ozi n GLY 67 N 2.78 2.42 3.76 0.59 0.00 0.40 -4.81 105.19 110.33 1ozi n GLY 67 Ca 0.07 0.00 -0.41 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 -1.68 6.93 -0.11 1.61 1.01 -1.05 -4.07 116.67 119.31 1ozi s ASP 68 Ca 0.00 2.50 -0.14 0.00 0.71 0.00 0.00 52.55 55.62 1ozi s ASP 68 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1ozi s ASP 68 CO 0.00 -0.44 0.32 -0.60 0.21 0.00 0.00 175.17 174.66 1ozi s ARG 69 N -1.16 4.07 -0.47 8.23 3.52 -0.65 -1.11 118.95 131.38 1ozi s ARG 69 Ca 0.50 0.18 -0.14 0.00 -0.13 0.00 0.00 55.73 56.15 1ozi s ARG 69 Cb -0.37 -3.34 0.09 0.00 -1.56 0.00 0.00 34.95 29.76 1ozi s ARG 69 CO 0.45 0.42 0.38 0.08 -0.81 0.00 0.00 175.30 175.82 1ozi s VAL 70 N -0.10 4.97 0.11 7.11 1.01 0.14 -0.50 120.40 133.14 1ozi s VAL 70 Ca 0.19 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1ozi s VAL 70 Cb -0.14 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 31.99 1ozi s VAL 70 CO 0.07 -0.63 1.25 -0.07 0.00 0.00 0.00 175.10 175.73 1ozi h LEU 71 N 8.69 0.55 -7.57 3.92 3.38 -1.12 -3.35 115.31 119.81 1ozi h LEU 71 Ca -0.27 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.35 1ozi h LEU 71 Cb 1.10 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 1ozi h LEU 71 CO 0.88 1.29 0.40 0.00 0.09 0.00 0.00 178.44 181.10 1ozi s ALA 72 N -3.12 -1.57 -0.26 1.53 0.00 -0.32 -3.22 121.76 114.80 1ozi s ALA 72 Ca -0.06 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1ozi s ALA 72 Cb 0.08 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1ozi s ALA 72 CO 0.88 -0.96 -0.03 0.08 0.00 0.00 0.00 175.76 175.73 1ozi s VAL 73 N -3.45 3.17 -1.21 0.00 1.01 0.72 0.47 120.40 121.11 1ozi s VAL 73 Ca 0.10 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1ozi s VAL 73 Cb -0.02 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.84 1ozi s VAL 73 CO 0.00 0.19 0.43 -0.46 0.00 0.00 0.00 175.10 175.26 1ozi n ASN 74 N 4.72 -3.11 0.00 3.32 0.23 0.22 0.38 115.26 121.03 1ozi n ASN 74 Ca -0.16 -0.39 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 1ozi n ASN 74 Cb 0.48 -2.61 0.00 0.00 -2.08 0.00 0.00 39.78 35.56 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 -1.07 1.15 3.51 4.83 0.00 -1.26 -5.02 105.19 107.33 1ozi n GLY 75 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.65 4.86 0.20 1.61 1.01 0.16 -4.99 120.40 120.61 1ozi s VAL 76 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1ozi s VAL 76 Cb 0.00 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1ozi s VAL 76 CO 0.00 -0.60 1.30 -0.44 0.00 0.00 0.00 175.10 175.37 1ozi s SER 77 N 2.03 6.90 -0.05 3.32 0.01 -1.26 -0.20 113.70 124.46 1ozi s SER 77 Ca 0.21 2.41 0.07 0.00 1.31 0.00 0.00 55.95 59.94 1ozi s SER 77 Cb -0.15 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 63.57 1ozi s SER 77 CO 0.18 -0.52 0.98 0.00 0.41 0.00 0.00 173.24 174.29 1ozi n LEU 78 N 2.54 1.09 -4.55 2.44 -0.00 -1.20 -4.91 117.00 112.41 1ozi n LEU 78 Ca 0.06 -1.72 -0.33 0.00 -0.00 0.00 0.00 56.01 54.02 1ozi n LEU 78 Cb 0.43 -0.15 -0.04 0.00 -0.00 0.00 0.00 43.42 43.66 1ozi n LEU 78 CO 0.58 0.41 1.77 -1.61 -0.00 0.00 0.00 177.39 178.53 1ozi s GLU 79 N -1.14 2.16 0.00 1.47 0.41 -1.25 -0.89 118.70 119.46 1ozi s GLU 79 Ca 0.11 0.99 0.00 0.00 -0.41 0.00 0.00 54.97 55.66 1ozi s GLU 79 Cb 0.10 -4.60 0.00 0.00 -1.78 0.00 0.00 34.13 27.85 1ozi s GLU 79 CO 0.01 -3.35 0.00 0.41 -0.49 0.00 0.00 175.26 171.84 1ozi n GLY 80 N 6.11 1.82 4.00 -1.39 0.00 -1.26 -4.72 105.19 109.76 1ozi n GLY 80 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 4.01 0.27 4.61 0.00 -0.07 -5.07 121.76 123.51 1ozi s ALA 81 Ca 0.00 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.20 1ozi s ALA 81 Cb 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1ozi s ALA 81 CO 0.00 -1.19 0.44 -0.08 0.00 0.00 0.00 175.76 174.93 1ozi s THR 82 N -2.95 5.19 0.25 0.00 -1.32 -1.26 -4.83 115.64 110.72 1ozi s THR 82 Ca 0.64 -0.65 -0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1ozi s THR 82 Cb -0.06 -3.83 0.22 0.00 -1.51 0.00 0.00 72.50 67.32 1ozi s THR 82 CO 0.42 -0.38 1.73 1.12 -2.21 0.00 0.00 174.62 175.30 1ozi h HIS 83 N 1.20 0.53 -0.73 9.09 2.07 -1.90 -0.24 115.15 125.18 1ozi h HIS 83 Ca -0.50 0.04 0.08 0.00 -2.85 0.00 0.00 60.37 57.13 1ozi h HIS 83 Cb 1.22 -0.12 -0.06 0.00 2.57 0.00 0.00 27.41 31.02 1ozi h HIS 83 CO 0.50 0.06 0.40 -0.22 -3.07 0.00 0.00 177.93 175.60 1ozi h LYS 84 N 0.44 0.69 -0.26 5.12 1.63 -1.95 -0.44 116.57 121.82 1ozi h LYS 84 Ca 0.43 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.09 1ozi h LYS 84 Cb 0.66 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1ozi h LYS 84 CO -0.41 0.46 -0.20 1.96 -3.45 0.00 0.00 179.45 177.80 1ozi h GLN 85 N 0.71 0.59 0.11 1.90 1.08 -1.50 -1.54 115.11 116.47 1ozi h GLN 85 Ca 0.34 -0.29 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1ozi h GLN 85 Cb 0.27 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1ozi h GLN 85 CO -0.22 0.88 -0.26 0.00 -0.95 0.00 0.00 178.83 178.28 1ozi h ALA 86 N 0.70 -0.44 0.00 3.87 0.00 -0.66 -1.37 119.26 121.35 1ozi h ALA 86 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ozi h ALA 86 Cb 0.75 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ozi h ALA 86 CO 0.05 -0.80 -0.26 0.28 0.00 0.00 0.00 179.25 178.53 1ozi h VAL 87 N -0.47 0.86 0.00 0.00 2.07 -1.08 -1.50 116.25 116.13 1ozi h VAL 87 Ca 0.03 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 1ozi h VAL 87 Cb 0.50 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1ozi h VAL 87 CO -0.16 0.25 -0.51 -0.33 0.02 0.00 0.00 177.57 176.84 1ozi h GLU 88 N 0.00 0.00 -0.05 1.57 5.08 -0.64 0.98 114.58 121.52 1ozi h GLU 88 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ozi h GLU 88 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ozi h GLU 88 CO 0.03 0.51 -0.52 1.15 -1.00 0.00 0.00 179.01 179.19 1ozi h THR 89 N 0.00 1.36 0.00 1.13 2.02 -0.27 -0.32 112.91 116.82 1ozi h THR 89 Ca -0.01 -1.78 -0.06 0.00 0.77 0.00 0.00 66.41 65.34 1ozi h THR 89 Cb 1.00 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1ozi h THR 89 CO 0.07 0.52 -0.28 -0.07 0.37 0.00 0.00 175.52 176.13 1ozi h LEU 90 N 0.10 0.00 0.07 2.58 3.38 -0.60 -1.90 115.31 118.95 1ozi h LEU 90 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1ozi h LEU 90 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ozi h LEU 90 CO 0.07 0.28 -1.17 -0.09 0.09 0.00 0.00 178.44 177.62 1ozi h ARG 91 N 0.00 0.24 -0.76 1.13 2.43 -0.27 -3.27 114.38 113.88 1ozi h ARG 91 Ca -0.00 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 1ozi h ARG 91 Cb 0.85 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1ozi h ARG 91 CO 0.04 1.17 0.31 -0.97 -1.51 0.00 0.00 179.97 179.01 1ozi h ASN 92 N 0.07 1.04 -3.71 -3.80 -1.24 -0.58 -3.41 115.58 103.96 1ozi h ASN 92 Ca -0.11 -0.17 -0.52 0.00 0.71 0.00 0.00 56.30 56.21 1ozi h ASN 92 Cb 1.90 -0.27 0.05 0.00 0.73 0.00 0.00 38.32 40.73 1ozi h ASN 92 CO 0.19 0.93 0.62 0.42 -1.29 0.00 0.00 177.43 178.29 1ozi s THR 93 N -5.57 2.99 0.00 -3.57 -4.23 -0.76 -5.02 115.64 99.48 1ozi s THR 93 Ca -0.12 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1ozi s THR 93 Cb 0.15 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1ozi s THR 93 CO 0.83 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.72 1ozi n GLY 94 N 1.36 -1.90 0.13 3.99 0.00 -1.26 -4.77 105.19 102.73 1ozi n GLY 94 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -6.11 1.61 3.07 -1.95 -3.45 115.11 108.28 1ozi h GLN 95 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 1ozi h GLN 95 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 27.48 27.34 1ozi h GLN 95 CO 0.00 0.64 -0.82 0.08 0.09 0.00 0.00 178.83 178.82 1ozi s VAL 96 N -3.12 1.68 -0.13 1.86 1.01 -1.26 0.26 120.40 120.69 1ozi s VAL 96 Ca 0.01 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1ozi s VAL 96 Cb 0.10 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1ozi s VAL 96 CO 0.76 -0.07 -0.22 -0.69 0.00 0.00 0.00 175.10 174.87 1ozi s VAL 97 N -1.17 2.03 -0.27 2.92 1.01 0.17 -4.84 120.40 120.25 1ozi s VAL 97 Ca 0.06 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 1ozi s VAL 97 Cb -0.10 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1ozi s VAL 97 CO 0.04 0.55 0.76 -1.00 0.00 0.00 0.00 175.10 175.45 1ozi s HIS 98 N 0.73 3.27 0.07 5.22 3.76 -1.26 -0.08 115.29 127.00 1ozi s HIS 98 Ca -0.09 0.95 0.06 0.00 -0.15 0.00 0.00 55.06 55.82 1ozi s HIS 98 Cb -0.16 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.46 1ozi s HIS 98 CO 0.00 -0.43 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.12 1ozi s LEU 99 N 2.79 2.23 -0.25 0.89 2.96 0.16 0.71 118.68 128.17 1ozi s LEU 99 Ca 0.32 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1ozi s LEU 99 Cb -0.15 -0.72 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 1ozi s LEU 99 CO 0.09 0.03 0.00 -0.22 -1.32 0.00 0.00 176.35 174.94 1ozi s LEU 100 N -1.52 3.27 0.41 -0.68 0.20 0.18 0.07 118.68 120.61 1ozi s LEU 100 Ca 0.03 -0.53 0.04 0.00 0.69 0.00 0.00 54.13 54.36 1ozi s LEU 100 Cb -0.09 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 1ozi s LEU 100 CO 0.02 -0.08 0.05 -0.76 -0.29 0.00 0.00 176.35 175.29 1ozi s LEU 101 N 1.48 2.30 -0.05 -0.68 1.02 0.91 -0.59 118.68 123.07 1ozi s LEU 101 Ca 0.04 -1.53 0.02 0.00 0.02 0.00 0.00 54.13 52.68 1ozi s LEU 101 Cb -0.15 -0.51 0.02 0.00 0.02 0.00 0.00 46.19 45.56 1ozi s LEU 101 CO -0.01 -0.73 -0.08 -0.70 0.02 0.00 0.00 176.35 174.85 1ozi s GLU 102 N -3.80 1.23 0.10 1.70 2.12 0.35 -0.25 118.70 120.15 1ozi s GLU 102 Ca 0.25 -0.27 -0.31 0.00 0.36 0.00 0.00 54.97 55.00 1ozi s GLU 102 Cb 0.05 -1.09 -0.09 0.00 0.26 0.00 0.00 34.13 33.26 1ozi s GLU 102 CO 0.12 -0.01 1.66 0.21 -0.54 0.00 0.00 175.26 176.70 1ozi s LYS 103 N 0.71 4.19 -0.09 4.30 2.47 0.56 -1.64 119.74 130.23 1ozi s LYS 103 Ca -0.12 2.37 0.13 0.00 -1.56 0.00 0.00 55.97 56.79 1ozi s LYS 103 Cb -0.14 -3.49 0.28 0.00 -1.46 0.00 0.00 37.83 33.02 1ozi s LYS 103 CO 0.02 -0.72 1.19 0.41 0.16 0.00 0.00 175.35 176.41 1ozi n GLY 104 N 3.97 3.97 3.64 5.54 0.00 -1.26 0.29 105.19 121.35 1ozi n GLY 104 Ca 0.16 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 1ozi n GLY 104 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ozi s GLN 105 N -2.19 0.91 -0.25 1.61 1.03 -1.26 -4.37 119.66 115.15 1ozi s GLN 105 Ca 0.26 -0.44 -0.09 0.00 0.04 0.00 0.00 55.36 55.13 1ozi s GLN 105 Cb 0.21 0.35 -0.04 0.00 0.03 0.00 0.00 33.01 33.56 1ozi s GLN 105 CO 0.05 -0.41 0.12 0.08 -2.54 0.00 0.00 175.29 172.59 1ozi s VAL 106 N -3.07 4.80 -2.31 3.63 1.01 -1.26 -4.34 120.40 118.86 1ozi s VAL 106 Ca 0.10 -0.01 0.30 0.00 0.00 0.00 0.00 61.98 62.36 1ozi s VAL 106 Cb -0.01 -3.25 0.69 0.00 0.00 0.00 0.00 36.38 33.81 1ozi s VAL 106 CO -0.03 0.32 1.93 -0.81 0.00 0.00 0.00 175.10 176.51