#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 -0.07 1.12 -2.24 -1.26 -4.89 114.28 106.93 1ozo n THR 2 Ca 0.00 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1ozo n THR 2 Cb 0.00 0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1ozo n THR 2 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ozo h GLU 3 N 0.00 0.12 0.33 -0.78 5.08 -2.05 0.35 114.58 117.63 1ozo h GLU 3 Ca -0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ozo h GLU 3 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ozo h GLU 3 CO 0.09 0.08 -0.16 1.25 -1.00 0.00 0.00 179.01 179.27 1ozo h LEU 4 N 0.12 -0.37 -0.57 1.33 6.46 -2.00 -2.90 115.31 117.37 1ozo h LEU 4 Ca 0.13 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1ozo h LEU 4 Cb 0.16 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1ozo h LEU 4 CO -0.20 -0.20 -0.36 -0.33 -0.62 0.00 0.00 178.44 176.73 1ozo h GLU 5 N -0.52 0.00 -0.29 1.25 5.08 -1.89 -2.52 114.58 115.69 1ozo h GLU 5 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1ozo h GLU 5 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1ozo h GLU 5 CO 0.07 0.36 -0.47 0.00 -1.00 0.00 0.00 179.01 177.97 1ozo h ALA 6 N 1.64 0.63 -0.41 3.43 0.00 -0.34 0.34 119.26 124.55 1ozo h ALA 6 Ca -0.00 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1ozo h ALA 6 Cb 1.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1ozo h ALA 6 CO 0.05 0.68 0.20 0.00 0.00 0.00 0.00 179.25 180.17 1ozo h ALA 7 N 0.86 0.51 -0.22 0.00 0.00 -1.44 -1.92 119.26 117.04 1ozo h ALA 7 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ozo h ALA 7 Cb 1.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ozo h ALA 7 CO 0.10 -0.16 0.03 0.52 0.00 0.00 0.00 179.25 179.74 1ozo h MET 8 N 0.41 0.32 -0.88 0.00 2.07 -1.18 0.07 114.93 115.73 1ozo h MET 8 Ca 0.18 -0.04 0.25 0.00 -2.07 0.00 0.00 59.70 58.02 1ozo h MET 8 Cb 0.09 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 29.73 1ozo h MET 8 CO -0.13 0.32 0.67 0.78 1.07 0.00 0.00 176.91 179.63 1ozo h GLY 9 N 0.56 0.00 1.54 8.32 0.00 0.46 0.24 103.07 114.19 1ozo h GLY 9 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.15 1ozo h GLY 9 CO 0.00 0.00 -1.32 -0.33 0.00 0.00 0.00 176.54 174.89 1ozo h MET 10 N 0.00 0.04 0.13 4.80 2.86 -0.56 0.20 114.93 122.40 1ozo h MET 10 Ca 0.42 -0.08 -0.30 0.00 -2.06 0.00 0.00 59.70 57.68 1ozo h MET 10 Cb 1.75 0.03 0.03 0.00 0.06 0.00 0.00 31.60 33.47 1ozo h MET 10 CO -0.00 0.86 -1.26 -0.84 1.06 0.00 0.00 176.91 176.72 1ozo h ILE 11 N 0.01 1.29 -0.43 -1.22 -2.65 -1.28 0.50 117.51 113.73 1ozo h ILE 11 Ca -0.14 -2.50 0.08 0.00 1.03 0.00 0.00 64.86 63.34 1ozo h ILE 11 Cb 1.89 2.72 -0.02 0.00 -2.05 0.00 0.00 36.82 39.36 1ozo h ILE 11 CO 0.12 0.76 0.30 0.40 0.03 0.00 0.00 178.15 179.76 1ozo h ILE 12 N 0.26 0.90 -0.01 0.16 1.08 -0.66 0.11 117.51 119.35 1ozo h ILE 12 Ca -0.19 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1ozo h ILE 12 Cb 1.94 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1ozo h ILE 12 CO 0.24 0.04 0.00 -0.78 -0.69 0.00 0.00 178.15 176.96 1ozo h ASP 13 N 0.23 0.02 -0.39 1.72 3.58 -0.41 0.24 116.42 121.40 1ozo h ASP 13 Ca 0.20 -0.29 0.11 0.00 0.42 0.00 0.00 57.03 57.47 1ozo h ASP 13 Cb 0.49 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1ozo h ASP 13 CO -0.04 0.31 0.28 0.58 -2.88 0.00 0.00 179.24 177.50 1ozo h VAL 14 N -0.27 0.81 -0.01 2.25 2.07 0.31 0.67 116.25 122.09 1ozo h VAL 14 Ca 0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ozo h VAL 14 Cb 0.30 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ozo h VAL 14 CO 0.00 0.00 -0.01 0.15 0.02 0.00 0.00 177.57 177.73 1ozo h PHE 15 N 0.01 0.02 0.00 1.57 3.04 -0.75 -2.35 116.94 118.47 1ozo h PHE 15 Ca 0.19 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1ozo h PHE 15 Cb 0.74 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1ozo h PHE 15 CO -0.00 0.50 0.00 0.77 -2.02 0.00 0.00 178.31 177.56 1ozo h SER 16 N -0.46 0.00 0.17 0.41 0.02 0.18 0.35 113.55 114.22 1ozo h SER 16 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ozo h SER 16 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1ozo h SER 16 CO 0.00 0.00 -0.08 -0.09 -1.14 0.00 0.00 176.83 175.52 1ozo h ARG 17 N 0.00 -0.23 0.00 3.45 1.12 0.16 -2.25 114.38 116.64 1ozo h ARG 17 Ca 0.00 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1ozo h ARG 17 Cb 0.19 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.20 1ozo h ARG 17 CO 0.00 0.06 -0.00 1.88 -3.11 0.00 0.00 179.97 178.80 1ozo h TYR 18 N -1.00 -0.01 0.00 2.20 0.05 -0.81 -3.06 116.97 114.34 1ozo h TYR 18 Ca -0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1ozo h TYR 18 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1ozo h TYR 18 CO 0.05 0.84 0.00 -1.13 -1.05 0.00 0.00 178.16 176.87 1ozo n SER 19 N -4.68 0.59 0.00 3.88 3.41 0.12 -4.86 113.62 112.08 1ozo n SER 19 Ca -0.09 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1ozo n SER 19 Cb 0.41 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 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 -0.91 0.31 0.00 5.00 0.00 -1.04 -1.28 105.19 107.27 1ozo n GLY 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 0.00 -4.93 1.61 7.64 -0.87 -4.83 113.62 112.19 1ozo n SER 21 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1ozo n SER 21 Cb 0.02 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 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 3.27 -0.37 1.43 2.02 -0.41 -5.01 118.70 119.64 1ozo s GLU 22 Ca 0.00 -0.11 0.11 0.00 0.02 0.00 0.00 54.97 54.99 1ozo s GLU 22 Cb 0.00 -2.45 0.45 0.00 0.10 0.00 0.00 34.13 32.23 1ozo s GLU 22 CO 0.00 -0.27 1.06 0.41 0.02 0.00 0.00 175.26 176.48 1ozo n GLY 23 N -2.21 4.06 0.00 -1.39 0.00 -1.14 -2.86 105.19 101.66 1ozo n GLY 23 Ca 0.01 -2.08 -0.00 0.00 0.00 0.00 0.00 46.02 43.95 1ozo n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozo n SER 24 N -0.36 4.29 0.00 1.61 7.64 -1.26 -4.95 113.62 120.58 1ozo n SER 24 Ca 0.26 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1ozo n SER 24 Cb 0.76 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1ozo n SER 24 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ozo n THR 25 N -2.35 0.00 -4.44 0.44 5.66 -1.26 -5.02 114.28 107.30 1ozo n THR 25 Ca -0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1ozo n THR 25 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1ozo n THR 25 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1ozo s GLN 26 N 0.00 2.97 0.00 1.09 -0.21 -1.26 -4.49 119.66 117.76 1ozo s GLN 26 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 54.93 1ozo s GLN 26 Cb 0.00 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.26 1ozo s GLN 26 CO 0.00 0.66 0.00 0.25 -2.12 0.00 0.00 175.29 174.08 1ozo n THR 27 N 2.27 -0.56 -1.06 -0.19 -2.24 -1.13 -2.89 114.28 108.48 1ozo n THR 27 Ca -0.18 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1ozo n THR 27 Cb 0.53 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1ozo n THR 27 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ozo n LEU 28 N -0.53 4.08 -4.59 3.22 4.32 -0.63 -4.74 117.00 118.13 1ozo n LEU 28 Ca 0.00 -2.83 -0.35 0.00 -0.02 0.00 0.00 56.01 52.81 1ozo n LEU 28 Cb 0.00 -1.09 0.10 0.00 -1.62 0.00 0.00 43.42 40.81 1ozo n LEU 28 CO 0.00 -0.28 0.46 1.07 -1.22 0.00 0.00 177.39 177.42 1ozo n THR 29 N 5.76 2.14 -0.32 -5.08 5.66 -1.26 -3.53 114.28 117.65 1ozo n THR 29 Ca 0.48 -0.31 0.29 0.00 -3.05 0.00 0.00 64.05 61.46 1ozo n THR 29 Cb 0.36 -1.02 0.52 0.00 -1.55 0.00 0.00 70.33 68.64 1ozo n THR 29 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ozo n LYS 30 N -2.06 -0.04 -0.00 1.09 4.81 -1.26 -0.50 118.16 120.20 1ozo n LYS 30 Ca 0.12 1.09 -0.14 0.00 -0.87 0.00 0.00 58.31 58.50 1ozo n LYS 30 Cb 0.50 -2.03 -0.14 0.00 0.02 0.00 0.00 35.03 33.38 1ozo n LYS 30 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ozo h GLY 31 N 0.00 0.15 0.65 3.14 0.00 -1.96 -3.20 103.07 101.85 1ozo h GLY 31 Ca 0.71 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 1ozo h GLY 31 CO -0.52 0.33 -0.11 -2.09 0.00 0.00 0.00 176.54 174.15 1ozo h GLU 32 N 0.04 0.23 -0.70 4.80 4.81 -1.42 -3.07 114.58 119.28 1ozo h GLU 32 Ca -0.33 -0.13 0.13 0.00 -0.13 0.00 0.00 59.36 58.89 1ozo h GLU 32 Cb 2.02 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 31.28 1ozo h GLU 32 CO 0.09 0.68 -0.28 1.25 -0.73 0.00 0.00 179.01 180.02 1ozo h LEU 33 N -0.19 -0.99 0.09 1.64 6.46 -0.97 -2.55 115.31 118.79 1ozo h LEU 33 Ca 0.01 0.23 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1ozo h LEU 33 Cb 0.64 0.55 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 1ozo h LEU 33 CO 0.03 -0.28 -0.26 0.50 -0.62 0.00 0.00 178.44 177.81 1ozo h LYS 34 N -0.08 -0.43 0.00 1.25 3.64 -1.55 -2.62 116.57 116.78 1ozo h LYS 34 Ca 0.30 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1ozo h LYS 34 Cb 0.55 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ozo h LYS 34 CO -0.75 -0.29 0.00 1.33 -2.27 0.00 0.00 179.45 177.47 1ozo n VAL 35 N -5.38 1.01 0.09 2.00 0.24 -1.00 -1.01 118.33 114.27 1ozo n VAL 35 Ca -0.06 0.25 -0.03 0.00 -2.04 0.00 0.00 64.34 62.46 1ozo n VAL 35 Cb 0.29 -1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 31.57 1ozo n VAL 35 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ozo h LEU 36 N 0.00 0.00 0.00 1.34 5.85 -1.10 -3.43 115.31 117.97 1ozo h LEU 36 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1ozo h LEU 36 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1ozo h LEU 36 CO 0.00 0.81 -1.41 0.23 -0.34 0.00 0.00 178.44 177.73 1ozo n MET 37 N -3.29 0.62 0.27 1.25 2.81 -0.18 -0.13 117.12 118.48 1ozo n MET 37 Ca 0.00 0.13 0.17 0.00 -1.81 0.00 0.00 57.70 56.19 1ozo n MET 37 Cb 0.86 -1.77 0.66 0.00 -0.71 0.00 0.00 33.22 32.27 1ozo n MET 37 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1ozo h GLU 38 N 0.00 0.00 0.00 0.03 3.07 -1.83 -2.15 114.58 113.70 1ozo h GLU 38 Ca -0.12 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 1ozo h GLU 38 Cb 1.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1ozo h GLU 38 CO 0.03 0.02 -0.72 1.63 -1.40 0.00 0.00 179.01 178.57 1ozo n LYS 39 N -3.12 0.48 0.00 2.33 4.76 -1.16 -4.42 118.16 117.03 1ozo n LYS 39 Ca 0.01 0.46 0.06 0.00 -2.87 0.00 0.00 58.31 55.97 1ozo n LYS 39 Cb 0.32 -1.64 0.01 0.00 -1.84 0.00 0.00 35.03 31.88 1ozo n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ozo n GLU 40 N -4.56 1.77 -2.29 1.97 -0.58 0.82 -4.52 120.64 113.24 1ozo n GLU 40 Ca -0.11 -0.77 -0.01 0.00 -0.42 0.00 0.00 57.16 55.85 1ozo n GLU 40 Cb 0.36 -1.17 0.05 0.00 -0.57 0.00 0.00 31.44 30.11 1ozo n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ozo n LEU 41 N -0.07 1.76 -4.59 -4.62 4.32 -0.90 -4.97 117.00 107.92 1ozo n LEU 41 Ca 0.06 -2.93 -0.49 0.00 -0.02 0.00 0.00 56.01 52.62 1ozo n LEU 41 Cb 0.27 0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 42.26 1ozo n LEU 41 CO 0.15 0.99 0.78 -0.81 -1.22 0.00 0.00 177.39 177.28 1ozo n PRO 42 N -0.32 1.20 0.00 3.23 -0.04 -0.86 -1.96 135.00 136.25 1ozo n PRO 42 Ca 0.11 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1ozo n PRO 42 Cb 0.91 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 2.16 2.68 0.15 0.55 0.00 -1.26 -4.84 105.19 104.62 1ozo n GLY 43 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.04 -1.66 -3.33 116.94 113.60 1ozo h PHE 44 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ozo h PHE 44 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ozo h PHE 44 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1ozo n LEU 45 N -2.44 0.00 0.23 1.54 7.99 -1.26 -1.72 117.00 121.34 1ozo n LEU 45 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.15 1ozo n LEU 45 Cb 0.34 0.00 0.73 0.00 -0.11 0.00 0.00 43.42 44.38 1ozo n LEU 45 CO 0.26 0.00 1.10 1.56 -1.51 0.00 0.00 177.39 178.80 1ozo h GLN 46 N 0.00 0.00 0.00 3.23 4.20 -1.88 -3.08 115.11 117.58 1ozo h GLN 46 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ozo h GLN 46 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ozo h GLN 46 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 1ozo n SER 47 N -4.29 0.00 0.00 1.46 7.64 -0.70 -4.95 113.62 112.79 1ozo n SER 47 Ca -0.01 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1ozo n SER 47 Cb 0.18 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 2.14 0.31 3.30 0.23 0.00 -1.17 -4.85 105.19 105.16 1ozo n GLY 48 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ozo n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ozo s LYS 49 N 0.00 2.67 0.00 1.61 2.20 -1.26 -4.93 119.74 120.03 1ozo s LYS 49 Ca 0.00 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 1ozo s LYS 49 Cb 0.00 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1ozo s LYS 49 CO 0.00 -0.90 0.00 -0.40 -0.36 0.00 0.00 175.35 173.69 1ozo n ASP 50 N 4.95 0.00 -0.00 1.43 5.75 -1.22 -1.52 116.55 125.95 1ozo n ASP 50 Ca -0.11 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.71 1ozo n ASP 50 Cb 0.44 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.48 1ozo n ASP 50 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ozo n LYS 51 N 0.44 3.77 0.00 0.11 4.01 -1.26 -4.54 118.16 120.70 1ozo n LYS 51 Ca 0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1ozo n LYS 51 Cb 0.00 -0.94 0.00 0.00 -0.51 0.00 0.00 35.03 33.58 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1ozo n ASP 52 N -1.26 0.00 -3.02 4.39 5.75 -0.57 -5.08 116.55 116.75 1ozo n ASP 52 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1ozo n ASP 52 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1ozo n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ozo n ALA 53 N -3.00 0.00 0.00 2.12 0.00 -1.25 -3.46 120.51 114.91 1ozo n ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ozo n ALA 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ozo n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ozo n VAL 54 N -0.29 0.00 -0.34 0.00 0.31 -1.26 -3.37 118.33 113.38 1ozo n VAL 54 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1ozo n VAL 54 Cb 0.00 0.00 0.29 0.00 -0.91 0.00 0.00 33.84 33.22 1ozo n VAL 54 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ozo h ASP 55 N 0.00 0.83 -0.39 4.52 3.58 -1.80 -1.00 116.42 122.17 1ozo h ASP 55 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1ozo h ASP 55 Cb 0.00 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1ozo h ASP 55 CO 0.00 0.40 0.00 0.29 -2.88 0.00 0.00 179.24 177.05 1ozo n LYS 56 N -4.65 1.93 -0.01 0.28 4.76 -1.22 -0.20 118.16 119.05 1ozo n LYS 56 Ca 0.20 -1.45 -0.01 0.00 -2.87 0.00 0.00 58.31 54.19 1ozo n LYS 56 Cb 0.45 -1.32 -0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1ozo n LYS 56 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1ozo h LEU 57 N 2.38 -0.03 -0.40 -0.35 -0.00 -1.55 -3.39 115.31 111.97 1ozo h LEU 57 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1ozo h LEU 57 Cb 0.54 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.16 1ozo h LEU 57 CO 0.00 0.19 -0.24 -0.11 -0.00 0.00 0.00 178.44 178.29 1ozo n LEU 58 N -3.32 -0.43 0.32 1.67 0.00 -0.49 -1.24 117.00 113.51 1ozo n LEU 58 Ca -0.00 1.11 0.17 0.00 0.00 0.00 0.00 56.01 57.28 1ozo n LEU 58 Cb 0.02 -0.29 0.86 0.00 0.00 0.00 0.00 43.42 44.01 1ozo n LEU 58 CO 0.01 -0.78 1.14 0.11 0.00 0.00 0.00 177.39 177.87 1ozo h LYS 59 N 0.00 0.00 0.15 1.96 1.79 -0.83 0.20 116.57 119.84 1ozo h LYS 59 Ca 0.06 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.24 1ozo h LYS 59 Cb 0.17 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1ozo h LYS 59 CO -0.38 0.00 -1.44 -0.44 -1.08 0.00 0.00 179.45 176.11 1ozo h ASP 60 N 0.00 0.50 0.54 0.86 5.19 -1.36 -3.37 116.42 118.77 1ozo h ASP 60 Ca 0.01 -0.90 -0.29 0.00 -0.62 0.00 0.00 57.03 55.24 1ozo h ASP 60 Cb 0.61 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1ozo h ASP 60 CO -0.00 1.65 -1.49 0.17 -3.12 0.00 0.00 179.24 176.45 1ozo h LEU 61 N -0.16 0.27 -0.57 1.55 -0.00 -1.14 -3.30 115.31 111.95 1ozo h LEU 61 Ca -0.29 -0.38 0.22 0.00 -0.00 0.00 0.00 57.88 57.42 1ozo h LEU 61 Cb 1.88 -0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 42.35 1ozo h LEU 61 CO 0.12 1.32 0.22 -0.67 -0.00 0.00 0.00 178.44 179.43 1ozo n ASP 62 N -3.37 0.12 0.02 0.17 -0.08 0.57 -1.06 116.55 112.92 1ozo n ASP 62 Ca -0.14 0.95 0.22 0.00 -1.51 0.00 0.00 54.79 54.31 1ozo n ASP 62 Cb 1.03 -0.43 0.72 0.00 2.34 0.00 0.00 41.12 44.78 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 1.14 2.32 -0.18 -1.67 0.00 -1.73 0.21 119.26 119.36 1ozo h ALA 63 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ozo h ALA 63 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ozo h ALA 63 CO -0.47 -0.80 0.00 -1.71 0.00 0.00 0.00 179.25 176.27 1ozo n ASN 64 N -3.83 1.75 0.00 0.00 5.15 -0.22 -4.82 115.26 113.29 1ozo n ASN 64 Ca 0.10 -1.72 0.00 0.00 -0.60 0.00 0.00 54.58 52.36 1ozo n ASN 64 Cb 0.73 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1ozo n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ozo n GLY 65 N 1.15 -1.50 2.04 8.20 0.00 -0.07 -4.88 105.19 110.13 1ozo n GLY 65 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.45 -0.66 0.00 1.61 2.03 -0.41 -5.05 116.55 111.63 1ozo n ASP 66 Ca 0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1ozo n ASP 66 Cb 0.00 1.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.43 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 -2.65 0.00 -2.04 -1.67 0.00 -1.26 -4.78 120.51 108.12 1ozo n ALA 67 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1ozo n ALA 67 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ozo n ALA 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ozo n GLN 68 N 0.00 1.93 -1.70 0.00 6.02 -1.26 -4.49 117.38 117.88 1ozo n GLN 68 Ca 0.00 -2.55 -0.56 0.00 -0.01 0.00 0.00 57.00 53.88 1ozo n GLN 68 Cb 0.00 -3.57 -0.07 0.00 1.02 0.00 0.00 30.24 27.62 1ozo n GLN 68 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ozo n VAL 69 N 7.22 0.30 -2.45 5.09 0.31 -1.23 -4.77 118.33 122.80 1ozo n VAL 69 Ca 0.47 -0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.51 1ozo n VAL 69 Cb 0.45 -1.25 0.07 0.00 -0.91 0.00 0.00 33.84 32.20 1ozo n VAL 69 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1ozo s ASP 70 N 3.30 4.82 0.26 4.52 -4.77 -1.26 -1.60 116.67 121.94 1ozo s ASP 70 Ca 0.96 0.07 -0.02 0.00 -3.30 0.00 0.00 52.55 50.26 1ozo s ASP 70 Cb -1.02 -0.73 0.53 0.00 -1.09 0.00 0.00 42.92 40.61 1ozo s ASP 70 CO 0.62 -1.52 1.70 2.19 0.70 0.00 0.00 175.17 178.86 1ozo h PHE 71 N -0.36 0.42 0.00 2.11 -5.15 -1.96 0.56 116.94 112.57 1ozo h PHE 71 Ca -0.42 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.39 1ozo h PHE 71 Cb 1.29 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.40 1ozo h PHE 71 CO 0.17 -0.05 0.00 -1.13 -2.00 0.00 0.00 178.31 175.30 1ozo n SER 72 N -5.10 0.39 -0.09 -0.68 3.41 -1.26 -0.93 113.62 109.36 1ozo n SER 72 Ca 0.16 0.60 -0.18 0.00 -0.26 0.00 0.00 58.87 59.20 1ozo n SER 72 Cb 0.50 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1ozo n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ozo n GLU 73 N -1.94 0.42 -0.02 4.33 1.02 -0.12 -4.07 120.64 120.26 1ozo n GLU 73 Ca 0.02 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 1ozo n GLU 73 Cb 0.19 -1.24 -0.08 0.00 -0.02 0.00 0.00 31.44 30.29 1ozo n GLU 73 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ozo h PHE 74 N -0.45 -1.25 -0.91 -0.32 3.04 -1.03 -3.25 116.94 112.76 1ozo h PHE 74 Ca -0.46 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.53 1ozo h PHE 74 Cb 1.49 0.56 -0.04 0.00 2.56 0.00 0.00 35.95 40.52 1ozo h PHE 74 CO -0.03 -0.42 0.53 0.97 -2.02 0.00 0.00 178.31 177.34 1ozo h ILE 75 N -0.44 1.25 -0.42 1.41 6.09 -1.23 0.22 117.51 124.40 1ozo h ILE 75 Ca 0.03 -0.58 0.04 0.00 -1.37 0.00 0.00 64.86 62.98 1ozo h ILE 75 Cb 0.52 -0.01 -0.04 0.00 0.47 0.00 0.00 36.82 37.76 1ozo h ILE 75 CO -0.35 0.27 0.18 0.58 -3.07 0.00 0.00 178.15 175.77 1ozo h VAL 76 N 1.26 0.92 0.00 2.19 2.07 -1.71 -2.55 116.25 118.44 1ozo h VAL 76 Ca 0.32 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1ozo h VAL 76 Cb -0.02 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1ozo h VAL 76 CO -0.06 0.07 -0.55 -0.26 0.02 0.00 0.00 177.57 176.79 1ozo h PHE 77 N 0.37 0.00 -0.55 1.57 -1.00 -1.34 -3.13 116.94 112.87 1ozo h PHE 77 Ca 0.19 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.05 1ozo h PHE 77 Cb 0.14 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.63 1ozo h PHE 77 CO -0.12 0.15 0.17 0.28 -1.61 0.00 0.00 178.31 177.18 1ozo h VAL 78 N 0.00 0.77 0.00 -0.55 2.07 -0.39 0.28 116.25 118.43 1ozo h VAL 78 Ca -0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1ozo h VAL 78 Cb 1.13 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ozo h VAL 78 CO 0.02 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1ozo n ALA 79 N -2.48 1.67 -0.05 1.67 0.00 -0.98 -1.44 120.51 118.91 1ozo n ALA 79 Ca 0.07 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1ozo n ALA 79 Cb 0.25 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 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 2.51 0.32 -0.98 0.00 0.00 -0.84 -3.41 119.26 116.85 1ozo h ALA 80 Ca 0.00 -1.26 0.18 0.00 0.00 0.00 0.00 54.91 53.83 1ozo h ALA 80 Cb 0.09 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1ozo h ALA 80 CO 0.00 0.95 0.58 0.82 0.00 0.00 0.00 179.25 181.61 1ozo h ILE 81 N -0.49 0.72 -1.02 0.00 5.03 0.61 0.26 117.51 122.62 1ozo h ILE 81 Ca -0.37 -0.26 0.27 0.00 -0.12 0.00 0.00 64.86 64.37 1ozo h ILE 81 Cb 1.65 -0.10 -0.12 0.00 -3.03 0.00 0.00 36.82 35.21 1ozo h ILE 81 CO -0.06 0.14 0.61 0.00 -0.68 0.00 0.00 178.15 178.16 1ozo h THR 82 N 0.76 0.49 0.12 -0.27 1.03 -1.55 0.21 112.91 113.69 1ozo h THR 82 Ca 0.56 -0.17 -0.30 0.00 -0.01 0.00 0.00 66.41 66.49 1ozo h THR 82 Cb 0.83 -0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 1ozo h THR 82 CO -0.37 0.09 -1.54 0.28 -0.01 0.00 0.00 175.52 173.97 1ozo h SER 83 N 0.49 0.38 1.28 0.00 0.02 -1.23 -3.42 113.55 111.07 1ozo h SER 83 Ca 0.65 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1ozo h SER 83 Cb 1.39 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1ozo h SER 83 CO -0.46 1.67 -0.41 0.00 -1.14 0.00 0.00 176.83 176.49 1ozo h ALA 84 N -0.04 0.76 0.57 3.77 0.00 0.38 0.18 119.26 124.88 1ozo h ALA 84 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1ozo h ALA 84 Cb 1.81 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.60 1ozo h ALA 84 CO 0.06 0.00 -0.27 0.77 0.00 0.00 0.00 179.25 179.80 1ozo h SER 85 N 0.00 -0.65 -0.54 0.00 0.02 -0.89 -3.36 113.55 108.14 1ozo h SER 85 Ca 0.00 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1ozo h SER 85 Cb 0.85 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1ozo h SER 85 CO 0.00 -0.38 0.26 0.45 -1.14 0.00 0.00 176.83 176.03 1ozo h HIS 86 N -0.94 0.48 0.00 3.45 3.86 -1.75 -3.43 115.15 116.82 1ozo h HIS 86 Ca -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1ozo h HIS 86 Cb 0.59 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1ozo h HIS 86 CO 0.05 0.21 0.00 1.63 0.86 0.00 0.00 177.93 180.68 1ozo n LYS 87 N -4.90 0.00 0.00 2.45 5.02 0.64 -0.88 118.16 120.49 1ozo n LYS 87 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ozo n LYS 87 Cb 0.16 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.26 1ozo n LYS 87 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1ozo n TYR 88 N -0.83 0.00 -0.15 2.13 9.36 -1.26 -4.96 117.16 121.45 1ozo n TYR 88 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ozo n TYR 88 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1ozo n TYR 88 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 1ozo n PHE 89 N 0.00 0.00 1.79 2.98 -1.74 -0.06 -4.45 117.46 115.98 1ozo n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1ozo n PHE 89 Cb 0.01 -0.76 0.00 0.00 1.52 0.00 0.00 39.48 40.25 1ozo n PHE 89 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1ozo n GLU 90 N 0.30 1.00 0.00 3.97 0.28 -1.26 -4.10 120.64 120.83 1ozo n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ozo n GLU 90 Cb 0.04 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 31.80 1ozo n GLU 90 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ozo n LYS 91 N -0.39 0.00 -2.40 3.44 4.81 -1.26 -4.81 118.16 117.55 1ozo n LYS 91 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1ozo n LYS 91 Cb 0.05 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.08 1ozo n LYS 91 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1ozo s THR 92 N 0.00 3.87 -0.71 3.15 -1.32 -1.19 -4.90 115.64 114.54 1ozo s THR 92 Ca 0.00 -1.29 -0.21 0.00 -1.21 0.00 0.00 61.69 58.98 1ozo s THR 92 Cb 0.00 -4.90 -0.16 0.00 -1.51 0.00 0.00 72.50 65.93 1ozo s THR 92 CO 0.00 -1.65 1.90 0.61 -2.21 0.00 0.00 174.62 173.27 1ozo n GLY 93 N 5.94 2.46 4.67 6.08 0.00 -1.26 -3.93 105.19 119.15 1ozo n GLY 93 Ca 0.44 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 7.23 0.28 -0.77 0.99 7.94 -1.26 -5.05 117.00 126.36 1ozo n LEU 94 Ca 0.48 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.51 1ozo n LEU 94 Cb 0.37 -0.77 0.27 0.00 0.53 0.00 0.00 43.42 43.82 1ozo n LEU 94 CO 1.01 -0.14 0.72 2.29 -1.11 0.00 0.00 177.39 180.17