#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozo n THR 2 N 0.00 0.00 0.18 1.12 -2.24 -1.26 -4.92 114.28 107.16 1ozo n THR 2 Ca 0.00 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.22 1ozo n THR 2 Cb 0.00 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 1ozo n THR 2 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ozo h GLU 3 N 0.00 -0.38 -0.30 -0.78 4.81 -2.05 0.31 114.58 116.19 1ozo h GLU 3 Ca -0.10 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1ozo h GLU 3 Cb 0.40 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 1ozo h GLU 3 CO 0.13 -0.24 -0.20 1.25 -0.73 0.00 0.00 179.01 179.23 1ozo h LEU 4 N -0.41 -0.65 -0.02 1.64 5.85 -2.00 -2.70 115.31 117.01 1ozo h LEU 4 Ca -0.04 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ozo h LEU 4 Cb 0.31 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1ozo h LEU 4 CO 0.07 -0.23 0.00 -0.62 -0.34 0.00 0.00 178.44 177.31 1ozo n GLU 5 N -5.36 0.20 -0.04 1.25 1.02 -1.17 -2.02 120.64 114.53 1ozo n GLU 5 Ca 0.00 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 57.16 1ozo n GLU 5 Cb 0.27 -1.74 -0.08 0.00 -0.02 0.00 0.00 31.44 29.88 1ozo n GLU 5 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ozo h ALA 6 N 2.62 0.25 -0.33 0.62 0.00 -0.07 0.44 119.26 122.79 1ozo h ALA 6 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1ozo h ALA 6 Cb 0.67 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ozo h ALA 6 CO 0.00 0.41 0.17 0.00 0.00 0.00 0.00 179.25 179.83 1ozo h ALA 7 N 0.53 0.42 -0.21 0.00 0.00 -1.45 -1.51 119.26 117.04 1ozo h ALA 7 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ozo h ALA 7 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ozo h ALA 7 CO 0.10 -0.04 0.00 0.52 0.00 0.00 0.00 179.25 179.83 1ozo h MET 8 N 0.40 0.30 -0.96 0.00 2.07 -1.43 0.00 114.93 115.30 1ozo h MET 8 Ca 0.11 -0.05 0.28 0.00 -2.07 0.00 0.00 59.70 57.98 1ozo h MET 8 Cb 0.08 -0.05 -0.14 0.00 -1.87 0.00 0.00 31.60 29.62 1ozo h MET 8 CO -0.02 0.33 0.48 0.78 1.07 0.00 0.00 176.91 179.54 1ozo h GLY 9 N 0.58 1.83 1.85 8.32 0.00 0.56 0.18 103.07 116.40 1ozo h GLY 9 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1ozo h GLY 9 CO 0.00 -0.41 -0.39 -0.33 0.00 0.00 0.00 176.54 175.41 1ozo h MET 10 N 0.34 0.17 0.00 4.80 2.86 0.01 0.42 114.93 123.53 1ozo h MET 10 Ca 0.66 -0.07 -0.30 0.00 -2.06 0.00 0.00 59.70 57.93 1ozo h MET 10 Cb 1.43 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.03 1ozo h MET 10 CO -0.60 0.54 -1.79 0.44 1.06 0.00 0.00 176.91 176.57 1ozo n ILE 11 N -4.05 1.59 0.09 -1.22 -0.00 -0.39 -0.38 119.36 115.01 1ozo n ILE 11 Ca -0.01 -0.80 0.02 0.00 -0.00 0.00 0.00 62.75 61.96 1ozo n ILE 11 Cb 0.45 -1.00 0.38 0.00 -0.00 0.00 0.00 39.64 39.47 1ozo n ILE 11 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1ozo h ILE 12 N 0.00 1.17 -0.28 7.28 1.08 -0.77 -1.84 117.51 124.16 1ozo h ILE 12 Ca -0.32 -0.72 -0.18 0.00 -0.39 0.00 0.00 64.86 63.26 1ozo h ILE 12 Cb 2.04 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1ozo h ILE 12 CO 0.07 0.23 -0.52 -0.78 -0.69 0.00 0.00 178.15 176.47 1ozo h ASP 13 N 0.30 0.93 -0.65 1.72 3.58 -0.10 0.88 116.42 123.09 1ozo h ASP 13 Ca 0.06 -0.53 0.14 0.00 0.42 0.00 0.00 57.03 57.12 1ozo h ASP 13 Cb 0.33 -0.27 -0.10 0.00 1.72 0.00 0.00 39.33 41.00 1ozo h ASP 13 CO 0.02 1.29 0.08 0.58 -2.88 0.00 0.00 179.24 178.32 1ozo h VAL 14 N 0.61 0.52 0.00 2.25 2.07 -0.59 0.39 116.25 121.50 1ozo h VAL 14 Ca 0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1ozo h VAL 14 Cb 1.13 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ozo h VAL 14 CO 0.12 0.03 -0.06 0.15 0.02 0.00 0.00 177.57 177.83 1ozo h PHE 15 N 0.19 0.00 -0.00 1.57 3.57 -1.12 -2.57 116.94 118.57 1ozo h PHE 15 Ca 0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1ozo h PHE 15 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1ozo h PHE 15 CO -0.31 0.06 -0.36 0.43 -2.23 0.00 0.00 178.31 175.90 1ozo n SER 16 N -3.29 0.81 0.07 0.41 7.64 0.89 -2.71 113.62 117.44 1ozo n SER 16 Ca -0.01 -0.63 -0.09 0.00 1.01 0.00 0.00 58.87 59.15 1ozo n SER 16 Cb 0.25 0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 1ozo n SER 16 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ozo h ARG 17 N 0.70 -0.25 0.00 1.43 2.47 -0.01 -3.26 114.38 115.47 1ozo h ARG 17 Ca 0.00 0.02 -0.31 0.00 -1.26 0.00 0.00 59.98 58.43 1ozo h ARG 17 Cb 0.50 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.83 1ozo h ARG 17 CO 0.00 0.12 -2.00 0.66 0.56 0.00 0.00 179.97 179.31 1ozo n TYR 18 N -4.94 0.00 0.28 3.04 4.02 -1.21 -3.63 117.16 114.72 1ozo n TYR 18 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.86 1ozo n TYR 18 Cb 0.24 -0.76 0.17 0.00 -0.02 0.00 0.00 39.34 38.97 1ozo n TYR 18 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1ozo n SER 19 N -4.14 0.00 0.00 7.72 3.41 -1.15 -4.90 113.62 114.56 1ozo n SER 19 Ca -0.39 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1ozo n SER 19 Cb 0.75 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ozo n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ozo n GLY 20 N -0.67 1.99 0.00 5.00 0.00 -1.10 -1.59 105.19 108.82 1ozo n GLY 20 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ozo n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozo n SER 21 N 0.00 0.00 -4.03 1.61 7.64 -1.25 -4.76 113.62 112.83 1ozo n SER 21 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1ozo n SER 21 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1ozo n SER 21 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ozo s GLU 22 N 0.00 0.49 0.00 1.43 2.02 -0.62 -4.69 118.70 117.33 1ozo s GLU 22 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1ozo s GLU 22 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.40 1ozo s GLU 22 CO 0.00 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1ozo n GLY 23 N 0.78 0.11 0.00 -1.39 0.00 -1.20 -4.98 105.19 98.52 1ozo n GLY 23 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ozo n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozo n SER 24 N 0.00 0.00 -0.00 1.61 2.88 -1.26 -5.04 113.62 111.81 1ozo n SER 24 Ca 0.00 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1ozo n SER 24 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1ozo n SER 24 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ozo n THR 25 N 0.00 0.00 -2.82 2.46 -2.24 -1.26 -4.77 114.28 105.65 1ozo n THR 25 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1ozo n THR 25 Cb 0.13 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 1ozo n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ozo n GLN 26 N -0.00 4.39 -4.12 -0.78 10.64 -1.26 -4.58 117.38 121.67 1ozo n GLN 26 Ca 0.00 -4.74 -0.08 0.00 -1.83 0.00 0.00 57.00 50.35 1ozo n GLN 26 Cb 0.00 -2.37 -0.10 0.00 -0.86 0.00 0.00 30.24 26.91 1ozo n GLN 26 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1ozo s THR 27 N -4.20 0.27 -0.33 -0.39 -4.23 -1.26 -4.01 115.64 101.49 1ozo s THR 27 Ca 0.42 -1.85 -0.28 0.00 -1.18 0.00 0.00 61.69 58.81 1ozo s THR 27 Cb 0.21 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.41 1ozo s THR 27 CO -0.11 -0.86 1.01 -0.76 -0.54 0.00 0.00 174.62 173.36 1ozo s LEU 28 N -2.97 3.96 0.79 4.79 1.02 0.58 -4.61 118.68 122.24 1ozo s LEU 28 Ca 0.11 0.90 -0.11 0.00 0.02 0.00 0.00 54.13 55.06 1ozo s LEU 28 Cb 0.08 -3.43 0.07 0.00 0.02 0.00 0.00 46.19 42.92 1ozo s LEU 28 CO -0.07 -0.85 1.09 0.28 0.02 0.00 0.00 176.35 176.82 1ozo s THR 29 N 3.54 3.23 0.52 5.49 -1.32 -1.26 -0.68 115.64 125.16 1ozo s THR 29 Ca 0.42 0.40 0.23 0.00 -1.21 0.00 0.00 61.69 61.53 1ozo s THR 29 Cb -0.12 -3.07 0.37 0.00 -1.51 0.00 0.00 72.50 68.16 1ozo s THR 29 CO 0.16 -0.52 2.02 0.50 -2.21 0.00 0.00 174.62 174.57 1ozo h LYS 30 N -1.09 0.02 0.00 7.08 3.64 -1.95 0.20 116.57 124.47 1ozo h LYS 30 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1ozo h LYS 30 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1ozo h LYS 30 CO 0.57 0.01 -0.24 0.41 -2.27 0.00 0.00 179.45 177.93 1ozo n GLY 31 N -1.62 -1.58 0.11 5.01 0.00 -1.26 -4.00 105.19 101.86 1ozo n GLY 31 Ca 0.07 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1ozo n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ozo n GLU 32 N -2.14 0.60 0.07 1.61 2.13 -0.18 -4.29 120.64 118.44 1ozo n GLU 32 Ca 0.05 0.12 0.20 0.00 0.66 0.00 0.00 57.16 58.20 1ozo n GLU 32 Cb 0.43 -1.46 0.74 0.00 0.27 0.00 0.00 31.44 31.42 1ozo n GLU 32 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ozo h LEU 33 N 0.00 0.00 0.04 4.31 6.46 -1.20 -3.31 115.31 121.60 1ozo h LEU 33 Ca -0.51 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.16 1ozo h LEU 33 Cb 1.81 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.74 1ozo h LEU 33 CO -0.07 0.00 -0.48 0.07 -0.62 0.00 0.00 178.44 177.34 1ozo h LYS 34 N 0.00 0.09 0.00 1.25 2.10 -1.75 -2.17 116.57 116.09 1ozo h LYS 34 Ca 0.21 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1ozo h LYS 34 Cb 1.03 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1ozo h LYS 34 CO -0.00 1.07 0.00 -0.39 -2.00 0.00 0.00 179.45 178.13 1ozo h VAL 35 N -0.80 0.00 0.10 0.07 -1.51 -1.81 -2.24 116.25 110.06 1ozo h VAL 35 Ca -0.11 -0.30 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1ozo h VAL 35 Cb 1.25 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1ozo h VAL 35 CO 0.01 0.00 -0.05 0.25 -1.23 0.00 0.00 177.57 176.56 1ozo h LEU 36 N 0.00 -0.11 -0.93 4.19 5.85 -1.65 -3.40 115.31 119.26 1ozo h LEU 36 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ozo h LEU 36 Cb 0.45 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ozo h LEU 36 CO 0.00 -0.05 0.23 1.15 -0.34 0.00 0.00 178.44 179.43 1ozo n MET 37 N -2.52 0.09 -0.15 1.25 0.00 -0.82 -0.56 117.12 114.43 1ozo n MET 37 Ca -0.02 0.57 0.08 0.00 0.00 0.00 0.00 57.70 58.33 1ozo n MET 37 Cb 0.05 -2.03 0.39 0.00 0.00 0.00 0.00 33.22 31.63 1ozo n MET 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1ozo h GLU 38 N 0.00 0.64 0.01 3.17 5.08 -1.77 -2.49 114.58 119.21 1ozo h GLU 38 Ca 0.00 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 1ozo h GLU 38 Cb 0.45 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1ozo h GLU 38 CO 0.00 0.43 -1.31 0.87 -1.00 0.00 0.00 179.01 178.00 1ozo h LYS 39 N 0.66 0.01 0.00 2.33 1.79 -1.09 -3.36 116.57 116.92 1ozo h LYS 39 Ca 0.29 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1ozo h LYS 39 Cb 0.30 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1ozo h LYS 39 CO -0.09 1.01 0.00 -0.85 -1.08 0.00 0.00 179.45 178.44 1ozo n GLU 40 N -4.39 -0.22 -0.99 3.15 -0.00 -1.25 -4.65 120.64 112.30 1ozo n GLU 40 Ca -0.32 -0.24 0.01 0.00 -0.00 0.00 0.00 57.16 56.60 1ozo n GLU 40 Cb 0.70 -0.72 0.15 0.00 -0.00 0.00 0.00 31.44 31.57 1ozo n GLU 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ozo n LEU 41 N -0.04 2.85 -4.66 -1.84 4.77 -1.04 -5.05 117.00 111.98 1ozo n LEU 41 Ca 0.00 -3.81 -0.46 0.00 -0.03 0.00 0.00 56.01 51.72 1ozo n LEU 41 Cb 0.11 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1ozo n LEU 41 CO 0.00 1.41 1.07 -0.81 -1.33 0.00 0.00 177.39 177.73 1ozo n PRO 42 N -0.86 2.00 0.00 3.23 -0.04 -0.97 -2.05 135.00 136.32 1ozo n PRO 42 Ca 0.21 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1ozo n PRO 42 Cb 0.79 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1ozo n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ozo n GLY 43 N 2.67 2.86 0.28 0.55 0.00 -1.26 -4.85 105.19 105.45 1ozo n GLY 43 Ca 0.14 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.44 1ozo n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ozo h PHE 44 N 0.00 0.00 0.00 1.61 -1.00 -1.75 -2.13 116.94 113.67 1ozo h PHE 44 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ozo h PHE 44 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ozo h PHE 44 CO 0.00 0.03 0.00 1.28 -1.61 0.00 0.00 178.31 178.01 1ozo n LEU 45 N -3.94 0.00 -0.35 1.54 7.99 -1.26 -3.83 117.00 117.15 1ozo n LEU 45 Ca -0.03 0.00 0.36 0.00 -0.01 0.00 0.00 56.01 56.34 1ozo n LEU 45 Cb 0.12 0.00 0.75 0.00 -0.11 0.00 0.00 43.42 44.18 1ozo n LEU 45 CO 0.29 0.00 1.33 0.06 -1.51 0.00 0.00 177.39 177.57 1ozo h GLN 46 N 0.00 0.01 0.00 3.23 -0.00 -1.77 0.16 115.11 116.74 1ozo h GLN 46 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ozo h GLN 46 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1ozo h GLN 46 CO 0.00 0.00 -1.05 0.43 -0.00 0.00 0.00 178.83 178.22 1ozo n SER 47 N -4.17 0.74 0.00 0.06 7.64 -1.25 -5.02 113.62 111.62 1ozo n SER 47 Ca 0.27 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1ozo n SER 47 Cb 1.30 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 65.07 1ozo n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ozo n GLY 48 N 1.22 0.19 3.10 0.23 0.00 0.57 -4.14 105.19 106.37 1ozo n GLY 48 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 1ozo n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ozo s LYS 49 N 0.00 0.23 0.00 1.61 0.00 -1.26 -4.71 119.74 115.61 1ozo s LYS 49 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 55.97 56.68 1ozo s LYS 49 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 37.83 37.81 1ozo s LYS 49 CO 0.00 -0.22 0.24 -0.40 0.00 0.00 0.00 175.35 174.98 1ozo n ASP 50 N 4.78 0.10 -1.64 0.03 5.75 -1.26 -5.01 116.55 119.30 1ozo n ASP 50 Ca -0.16 -1.03 -0.09 0.00 -0.01 0.00 0.00 54.79 53.50 1ozo n ASP 50 Cb 0.52 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.58 1ozo n ASP 50 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ozo n LYS 51 N -0.01 -1.59 0.00 0.11 -0.00 -1.26 -4.78 118.16 110.63 1ozo n LYS 51 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1ozo n LYS 51 Cb 0.34 -4.81 0.00 0.00 -0.00 0.00 0.00 35.03 30.56 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ozo n ASP 52 N -0.58 0.01 0.01 -5.58 8.00 -1.26 -4.53 116.55 112.63 1ozo n ASP 52 Ca -0.10 -0.39 -0.01 0.00 0.71 0.00 0.00 54.79 55.00 1ozo n ASP 52 Cb 0.39 0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1ozo n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ozo n ALA 53 N -0.02 2.95 -0.28 2.24 0.00 -1.26 -3.91 120.51 120.23 1ozo n ALA 53 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1ozo n ALA 53 Cb 0.09 0.42 0.23 0.00 0.00 0.00 0.00 19.45 20.19 1ozo n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ozo h VAL 54 N -0.03 0.54 0.00 0.00 2.07 -1.90 0.12 116.25 117.07 1ozo h VAL 54 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ozo h VAL 54 Cb 0.71 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1ozo h VAL 54 CO -0.01 0.07 0.00 -0.78 0.02 0.00 0.00 177.57 176.87 1ozo h ASP 55 N 0.38 0.00 0.10 0.57 3.58 -1.81 -2.67 116.42 116.57 1ozo h ASP 55 Ca 0.47 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.79 1ozo h ASP 55 Cb 0.82 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 1ozo h ASP 55 CO -0.49 0.00 -2.03 0.29 -2.88 0.00 0.00 179.24 174.13 1ozo n LYS 56 N -2.90 0.66 0.00 0.28 4.01 -0.26 0.09 118.16 120.05 1ozo n LYS 56 Ca 0.01 -0.09 0.10 0.00 -0.51 0.00 0.00 58.31 57.82 1ozo n LYS 56 Cb 0.30 -1.56 0.58 0.00 -0.51 0.00 0.00 35.03 33.84 1ozo n LYS 56 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ozo n LEU 57 N -2.49 0.00 0.00 -0.35 7.99 0.27 -3.07 117.00 119.35 1ozo n LEU 57 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 1ozo n LEU 57 Cb 0.79 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.10 1ozo n LEU 57 CO 0.44 0.00 0.00 -0.11 -1.51 0.00 0.00 177.39 176.21 1ozo n LEU 58 N -0.97 0.00 -0.32 2.23 7.94 -1.01 -4.76 117.00 120.10 1ozo n LEU 58 Ca 0.15 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.26 1ozo n LEU 58 Cb 0.07 -0.23 0.42 0.00 0.53 0.00 0.00 43.42 44.21 1ozo n LEU 58 CO 0.11 -0.26 0.97 0.11 -1.11 0.00 0.00 177.39 177.22 1ozo h LYS 59 N 0.00 0.11 -0.32 1.96 1.79 -0.44 0.16 116.57 119.83 1ozo h LYS 59 Ca 0.00 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1ozo h LYS 59 Cb 0.00 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 1ozo h LYS 59 CO 0.00 0.07 0.04 -0.44 -1.08 0.00 0.00 179.45 178.05 1ozo h ASP 60 N 0.11 -0.03 0.07 0.86 5.19 -1.79 -3.18 116.42 117.65 1ozo h ASP 60 Ca 0.69 0.06 -0.22 0.00 -0.62 0.00 0.00 57.03 56.94 1ozo h ASP 60 Cb 1.59 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 1ozo h ASP 60 CO -0.75 0.02 -1.14 0.17 -3.12 0.00 0.00 179.24 174.42 1ozo h LEU 61 N 0.15 0.22 -0.77 1.55 -0.00 -1.07 -3.37 115.31 112.01 1ozo h LEU 61 Ca 0.15 -0.79 0.27 0.00 -0.00 0.00 0.00 57.88 57.51 1ozo h LEU 61 Cb 0.18 -0.07 -0.08 0.00 -0.00 0.00 0.00 40.66 40.69 1ozo h LEU 61 CO -0.21 1.48 0.50 -0.67 -0.00 0.00 0.00 178.44 179.54 1ozo n ASP 62 N -4.17 0.12 -0.10 0.17 -0.08 0.25 -0.49 116.55 112.24 1ozo n ASP 62 Ca -0.24 0.77 0.26 0.00 -1.51 0.00 0.00 54.79 54.07 1ozo n ASP 62 Cb 0.77 -0.38 0.66 0.00 2.34 0.00 0.00 41.12 44.52 1ozo n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ozo h ALA 63 N 0.88 2.60 0.00 -1.67 0.00 -1.71 -0.60 119.26 118.76 1ozo h ALA 63 Ca 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ozo h ALA 63 Cb 1.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1ozo h ALA 63 CO -0.26 -1.17 -0.32 -1.71 0.00 0.00 0.00 179.25 175.79 1ozo n ASN 64 N -3.66 0.68 0.06 0.00 4.05 0.35 -4.83 115.26 111.91 1ozo n ASN 64 Ca 0.16 0.31 0.00 0.00 0.45 0.00 0.00 54.58 55.50 1ozo n ASN 64 Cb 1.04 -0.27 0.00 0.00 1.23 0.00 0.00 39.78 41.78 1ozo n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ozo n GLY 65 N 1.35 -0.63 2.00 8.20 0.00 -0.36 -4.97 105.19 110.78 1ozo n GLY 65 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ozo n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ozo n ASP 66 N -2.82 -3.84 0.00 1.61 2.03 -0.44 -5.02 116.55 108.07 1ozo n ASP 66 Ca 0.00 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1ozo n ASP 66 Cb 0.00 3.61 0.00 0.00 -0.72 0.00 0.00 41.12 44.01 1ozo n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ozo n ALA 67 N -3.40 0.00 -1.74 -1.67 0.00 -1.25 -4.84 120.51 107.62 1ozo n ALA 67 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1ozo n ALA 67 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ozo n ALA 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ozo s GLN 68 N 0.00 2.19 -0.64 0.00 -0.21 -1.26 -4.61 119.66 115.12 1ozo s GLN 68 Ca 0.00 0.86 -0.27 0.00 0.02 0.00 0.00 55.36 55.97 1ozo s GLN 68 Cb 0.00 -4.62 0.02 0.00 1.00 0.00 0.00 33.01 29.41 1ozo s GLN 68 CO 0.00 -3.36 1.35 0.08 -2.12 0.00 0.00 175.29 171.24 1ozo s VAL 69 N 11.66 3.77 1.05 1.09 1.01 0.14 -4.82 120.40 134.30 1ozo s VAL 69 Ca 0.86 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 1ozo s VAL 69 Cb -0.14 -4.65 0.21 0.00 0.00 0.00 0.00 36.38 31.80 1ozo s VAL 69 CO 0.19 -1.46 1.03 -0.67 0.00 0.00 0.00 175.10 174.18 1ozo n ASP 70 N 9.54 -0.81 -0.06 3.32 2.03 -1.26 -0.30 116.55 129.01 1ozo n ASP 70 Ca 0.08 0.12 0.11 0.00 0.52 0.00 0.00 54.79 55.63 1ozo n ASP 70 Cb 0.49 -1.35 0.50 0.00 -0.72 0.00 0.00 41.12 40.04 1ozo n ASP 70 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1ozo h PHE 71 N -2.28 0.42 0.31 -0.67 -5.15 -1.97 -1.04 116.94 106.56 1ozo h PHE 71 Ca -0.52 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.24 1ozo h PHE 71 Cb 1.30 -0.14 0.00 0.00 0.22 0.00 0.00 35.95 37.34 1ozo h PHE 71 CO 0.37 0.21 -0.15 0.77 -2.00 0.00 0.00 178.31 177.51 1ozo h SER 72 N 0.40 -0.36 -0.10 -0.68 0.02 -1.94 0.14 113.55 111.04 1ozo h SER 72 Ca 0.26 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1ozo h SER 72 Cb 0.48 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1ozo h SER 72 CO -0.07 -0.16 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.12 1ozo h GLU 73 N -0.54 0.01 0.35 3.45 5.08 -1.75 -1.29 114.58 119.89 1ozo h GLU 73 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ozo h GLU 73 Cb 0.40 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ozo h GLU 73 CO 0.07 0.01 -0.27 0.35 -1.00 0.00 0.00 179.01 178.17 1ozo h PHE 74 N 0.01 -0.73 -0.81 4.33 3.57 -1.20 -2.24 116.94 119.87 1ozo h PHE 74 Ca 0.05 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1ozo h PHE 74 Cb 0.07 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 1ozo h PHE 74 CO -0.14 -0.38 0.53 0.97 -2.23 0.00 0.00 178.31 177.06 1ozo h ILE 75 N -0.60 1.05 0.11 1.41 6.09 -0.60 0.34 117.51 125.32 1ozo h ILE 75 Ca -0.05 -0.31 -0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1ozo h ILE 75 Cb 0.50 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 37.86 1ozo h ILE 75 CO 0.01 0.17 -0.07 0.58 -3.07 0.00 0.00 178.15 175.77 1ozo h VAL 76 N 0.91 0.85 0.00 2.19 2.07 -1.27 -2.01 116.25 118.99 1ozo h VAL 76 Ca 0.35 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.85 1ozo h VAL 76 Cb 0.20 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ozo h VAL 76 CO -0.12 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.14 1ozo h PHE 77 N -0.18 0.00 0.03 1.57 -1.00 -0.61 -2.40 116.94 114.35 1ozo h PHE 77 Ca -0.01 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.80 1ozo h PHE 77 Cb 0.15 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 1ozo h PHE 77 CO -0.08 0.07 -0.23 0.28 -1.61 0.00 0.00 178.31 176.74 1ozo h VAL 78 N 0.00 0.48 0.00 -0.55 2.07 -0.29 0.26 116.25 118.22 1ozo h VAL 78 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ozo h VAL 78 Cb 0.94 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ozo h VAL 78 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1ozo n ALA 79 N -2.60 1.35 0.03 1.67 0.00 -0.76 -0.96 120.51 119.25 1ozo n ALA 79 Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 1ozo n ALA 79 Cb 0.26 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 1ozo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozo h ALA 80 N 2.22 0.33 -0.58 0.00 0.00 -0.63 -3.40 119.26 117.19 1ozo h ALA 80 Ca 0.00 -1.29 0.11 0.00 0.00 0.00 0.00 54.91 53.73 1ozo h ALA 80 Cb 0.06 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1ozo h ALA 80 CO 0.00 1.20 0.08 0.82 0.00 0.00 0.00 179.25 181.36 1ozo h ILE 81 N 0.08 0.62 0.00 0.00 1.08 0.13 0.15 117.51 119.57 1ozo h ILE 81 Ca -0.38 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1ozo h ILE 81 Cb 2.06 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 1ozo h ILE 81 CO 0.13 0.04 0.09 1.07 -0.69 0.00 0.00 178.15 178.79 1ozo n THR 82 N -5.17 1.55 -0.06 -0.27 5.66 -1.03 -1.04 114.28 113.92 1ozo n THR 82 Ca 0.08 0.48 -0.08 0.00 -3.05 0.00 0.00 64.05 61.48 1ozo n THR 82 Cb 0.31 -1.48 -0.07 0.00 -1.55 0.00 0.00 70.33 67.54 1ozo n THR 82 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ozo n SER 83 N -1.38 2.65 0.14 1.09 3.41 0.30 -4.76 113.62 115.06 1ozo n SER 83 Ca 0.00 -0.04 -0.01 0.00 -0.26 0.00 0.00 58.87 58.56 1ozo n SER 83 Cb 0.09 0.23 0.19 0.00 -0.26 0.00 0.00 64.21 64.46 1ozo n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ozo h ALA 84 N 0.24 1.02 0.00 7.33 0.00 0.64 -3.33 119.26 125.16 1ozo h ALA 84 Ca -0.30 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1ozo h ALA 84 Cb 1.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1ozo h ALA 84 CO -0.02 0.73 0.00 0.43 0.00 0.00 0.00 179.25 180.39 1ozo n SER 85 N -3.85 0.00 0.31 0.00 7.64 -0.20 -3.70 113.62 113.82 1ozo n SER 85 Ca -0.01 -0.27 0.13 0.00 1.01 0.00 0.00 58.87 59.73 1ozo n SER 85 Cb 0.59 -0.01 0.71 0.00 -1.01 0.00 0.00 64.21 64.49 1ozo n SER 85 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1ozo h HIS 86 N 0.00 0.00 -0.09 1.43 2.07 -1.77 -0.85 115.15 115.95 1ozo h HIS 86 Ca 0.00 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 1ozo h HIS 86 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 1ozo h HIS 86 CO 0.00 0.00 0.48 0.87 -3.07 0.00 0.00 177.93 176.21 1ozo h LYS 87 N 0.00 0.00 -0.29 5.12 1.79 -1.85 -2.77 116.57 118.57 1ozo h LYS 87 Ca 0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1ozo h LYS 87 Cb 0.72 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1ozo h LYS 87 CO 0.00 0.00 0.24 1.88 -1.08 0.00 0.00 179.45 180.49 1ozo h TYR 88 N 0.00 0.00 0.00 -1.35 0.05 -1.45 -3.44 116.97 110.78 1ozo h TYR 88 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1ozo h TYR 88 Cb 0.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1ozo h TYR 88 CO 0.00 0.00 0.00 0.34 -1.05 0.00 0.00 178.16 177.45 1ozo n PHE 89 N -4.16 0.00 0.03 4.88 7.35 -1.06 -4.37 117.46 120.13 1ozo n PHE 89 Ca 0.04 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.67 1ozo n PHE 89 Cb 0.40 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.12 1ozo n PHE 89 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1ozo h GLU 90 N 0.00 0.00 0.00 -4.13 9.09 -1.85 -3.43 114.58 114.25 1ozo h GLU 90 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ozo h GLU 90 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ozo h GLU 90 CO 0.00 0.66 -0.79 0.36 0.05 0.00 0.00 179.01 179.29 1ozo n LYS 91 N -3.16 1.91 0.00 1.06 0.00 -1.19 -4.74 118.16 112.04 1ozo n LYS 91 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1ozo n LYS 91 Cb 0.95 -0.89 0.00 0.00 -0.00 0.00 0.00 35.03 35.09 1ozo n LYS 91 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ozo n THR 92 N -1.35 0.00 -0.91 0.58 -2.24 -1.11 -4.39 114.28 104.87 1ozo n THR 92 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1ozo n THR 92 Cb 0.13 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozo n GLY 93 N 0.00 3.66 0.00 3.38 0.00 -1.26 -4.74 105.19 106.22 1ozo n GLY 93 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ozo n GLY 93 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ozo n LEU 94 N -1.01 0.00 0.00 0.99 -0.00 -1.26 -4.93 117.00 110.80 1ozo n LEU 94 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1ozo n LEU 94 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1ozo n LEU 94 CO 0.01 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.57