#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 0.10 1.12 -2.24 -1.26 -4.90 114.28 107.10 1ozo n THR 2 Ca 0.00 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1ozo n THR 2 Cb 0.00 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.42 -0.84 -0.78 4.39 -2.04 0.41 114.58 115.29 1ozo h GLU 3 Ca -0.09 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.78 1ozo h GLU 3 Cb 0.32 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 28.92 1ozo h GLU 3 CO 0.11 -0.28 -0.37 1.25 -1.16 0.00 0.00 179.01 178.56 1ozo h LEU 4 N -0.44 -1.34 0.00 1.33 7.12 -1.99 -0.68 115.31 119.32 1ozo h LEU 4 Ca -0.02 0.28 -0.14 0.00 0.13 0.00 0.00 57.88 58.13 1ozo h LEU 4 Cb 0.41 0.69 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 1ozo h LEU 4 CO -0.09 -0.29 -0.82 -0.33 -0.13 0.00 0.00 178.44 176.78 1ozo h GLU 5 N -0.06 0.00 0.08 1.25 5.08 -1.91 -2.80 114.58 116.22 1ozo h GLU 5 Ca 0.30 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.41 1ozo h GLU 5 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ozo h GLU 5 CO -0.87 0.52 -1.13 0.00 -1.00 0.00 0.00 179.01 176.53 1ozo h ALA 6 N 1.40 0.21 -0.59 3.43 0.00 0.10 0.21 119.26 124.02 1ozo h ALA 6 Ca -0.05 -0.84 0.07 0.00 0.00 0.00 0.00 54.91 54.09 1ozo h ALA 6 Cb 1.50 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1ozo h ALA 6 CO 0.07 0.97 0.27 0.00 0.00 0.00 0.00 179.25 180.56 1ozo h ALA 7 N 0.69 0.78 -0.05 0.00 0.00 -1.20 -1.29 119.26 118.19 1ozo h ALA 7 Ca -0.10 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ozo h ALA 7 Cb 1.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1ozo h ALA 7 CO 0.18 -0.11 -0.16 0.52 0.00 0.00 0.00 179.25 179.68 1ozo h MET 8 N 0.50 0.08 -0.99 0.00 2.07 -1.25 0.65 114.93 115.98 1ozo h MET 8 Ca 0.28 -0.02 0.27 0.00 -2.07 0.00 0.00 59.70 58.17 1ozo h MET 8 Cb 0.27 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.93 1ozo h MET 8 CO -0.23 0.25 0.69 0.78 1.07 0.00 0.00 176.91 179.47 1ozo h GLY 9 N 0.62 0.32 1.35 8.32 0.00 0.54 0.14 103.07 114.35 1ozo h GLY 9 Ca 0.02 -0.06 -0.32 0.00 0.00 0.00 0.00 47.33 46.97 1ozo h GLY 9 CO 0.02 -0.02 -1.39 -0.33 0.00 0.00 0.00 176.54 174.82 1ozo h MET 10 N 0.12 0.50 0.00 4.80 2.86 -0.10 0.24 114.93 123.35 1ozo h MET 10 Ca 0.49 -0.81 -0.17 0.00 -2.06 0.00 0.00 59.70 57.15 1ozo h MET 10 Cb 1.74 0.29 -0.02 0.00 0.06 0.00 0.00 31.60 33.67 1ozo h MET 10 CO -0.08 1.38 -0.83 -0.84 1.06 0.00 0.00 176.91 177.60 1ozo h ILE 11 N 0.15 1.60 -0.32 -1.22 -2.65 -1.23 0.25 117.51 114.09 1ozo h ILE 11 Ca -0.22 -2.86 -0.09 0.00 1.03 0.00 0.00 64.86 62.73 1ozo h ILE 11 Cb 2.08 2.54 -0.02 0.00 -2.05 0.00 0.00 36.82 39.38 1ozo h ILE 11 CO 0.25 0.82 -0.18 0.40 0.03 0.00 0.00 178.15 179.47 1ozo h ILE 12 N 0.00 1.26 -0.76 0.16 2.04 -0.85 -3.14 117.51 116.22 1ozo h ILE 12 Ca -0.01 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 1ozo h ILE 12 Cb 1.47 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1ozo h ILE 12 CO 0.11 0.39 0.26 -0.78 0.00 0.00 0.00 178.15 178.13 1ozo h ASP 13 N 0.53 1.07 -0.10 1.72 3.58 0.25 0.20 116.42 123.67 1ozo h ASP 13 Ca 0.09 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.38 1ozo h ASP 13 Cb 0.61 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 1ozo h ASP 13 CO 0.04 0.98 0.19 0.58 -2.88 0.00 0.00 179.24 178.15 1ozo h VAL 14 N 1.12 0.25 0.09 2.25 2.07 -0.49 0.65 116.25 122.18 1ozo h VAL 14 Ca 0.25 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.61 1ozo h VAL 14 Cb 0.27 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1ozo h VAL 14 CO -0.01 0.00 -0.76 0.15 0.02 0.00 0.00 177.57 176.97 1ozo h PHE 15 N 0.00 0.35 0.00 1.57 3.57 -1.25 -3.33 116.94 117.85 1ozo h PHE 15 Ca 0.05 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1ozo h PHE 15 Cb 0.42 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1ozo h PHE 15 CO 0.00 1.29 0.07 1.03 -2.23 0.00 0.00 178.31 178.48 1ozo h SER 16 N -0.56 0.00 0.44 0.41 0.87 0.16 0.20 113.55 115.07 1ozo h SER 16 Ca -0.15 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1ozo h SER 16 Cb 1.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1ozo h SER 16 CO 0.07 0.00 -0.21 0.03 -0.53 0.00 0.00 176.83 176.19 1ozo h ARG 17 N 0.00 -0.57 0.00 2.24 -0.00 0.06 -3.11 114.38 112.99 1ozo h ARG 17 Ca 0.00 0.04 -0.22 0.00 -0.50 0.00 0.00 59.98 59.30 1ozo h ARG 17 Cb 0.15 0.13 -0.03 0.00 0.00 0.00 0.00 29.97 30.21 1ozo h ARG 17 CO 0.00 -0.28 -1.69 0.66 0.00 0.00 0.00 179.97 178.66 1ozo n TYR 18 N -5.26 0.00 0.31 3.04 4.01 -0.23 -4.03 117.16 115.00 1ozo n TYR 18 Ca -0.11 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.82 1ozo n TYR 18 Cb 0.29 -0.70 0.98 0.00 -0.31 0.00 0.00 39.34 39.60 1ozo n TYR 18 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1ozo h SER 19 N -0.93 0.00 0.00 7.72 0.87 -0.91 -3.47 113.55 116.82 1ozo h SER 19 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1ozo h SER 19 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1ozo h SER 19 CO -0.20 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.74 1ozo n GLY 20 N -0.85 2.71 0.00 5.77 0.00 -1.05 -1.54 105.19 110.23 1ozo n GLY 20 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.93 1.61 7.64 -1.26 -4.84 113.62 111.84 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 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 3.51 -0.55 1.43 0.41 -0.59 -5.02 118.70 117.89 1ozo s GLU 22 Ca 0.00 -0.26 0.05 0.00 -0.41 0.00 0.00 54.97 54.35 1ozo s GLU 22 Cb 0.00 -2.66 0.19 0.00 -1.78 0.00 0.00 34.13 29.88 1ozo s GLU 22 CO 0.00 0.16 0.47 0.41 -0.49 0.00 0.00 175.26 175.82 1ozo n GLY 23 N -1.58 3.26 0.00 -1.39 0.00 -1.25 -1.82 105.19 102.42 1ozo n GLY 23 Ca -0.04 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 2.09 2.73 -0.00 1.61 2.88 -1.26 -4.86 113.62 116.80 1ozo n SER 24 Ca 0.25 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.93 1ozo n SER 24 Cb 0.43 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.42 1ozo n SER 24 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ozo n THR 25 N 0.00 0.00 -3.29 2.46 5.66 -1.26 -4.62 114.28 113.23 1ozo n THR 25 Ca 0.00 -0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1ozo n THR 25 Cb 0.00 -0.31 -0.08 0.00 -1.55 0.00 0.00 70.33 68.39 1ozo n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ozo n GLN 26 N -1.48 0.31 -0.74 1.09 6.02 -1.26 -4.57 117.38 116.75 1ozo n GLN 26 Ca 0.07 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 1ozo n GLN 26 Cb 0.33 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1ozo n GLN 26 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ozo n THR 27 N 2.59 0.00 -1.25 5.09 -2.24 -0.75 -3.72 114.28 114.00 1ozo n THR 27 Ca 0.27 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.69 1ozo n THR 27 Cb 0.50 -0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.32 2.59 -4.57 3.22 4.32 -0.54 -4.70 117.00 117.64 1ozo n LEU 28 Ca 0.00 -2.52 -0.36 0.00 -0.02 0.00 0.00 56.01 53.11 1ozo n LEU 28 Cb 0.00 -1.19 0.08 0.00 -1.62 0.00 0.00 43.42 40.69 1ozo n LEU 28 CO 0.00 -1.66 0.40 1.07 -1.22 0.00 0.00 177.39 175.98 1ozo n THR 29 N 7.17 2.63 -0.36 -5.08 5.66 -1.26 -2.63 114.28 120.41 1ozo n THR 29 Ca 0.47 -0.40 0.27 0.00 -3.05 0.00 0.00 64.05 61.34 1ozo n THR 29 Cb 0.43 -1.00 0.52 0.00 -1.55 0.00 0.00 70.33 68.74 1ozo n THR 29 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1ozo h LYS 30 N -0.20 0.29 0.00 1.09 3.64 -1.91 0.22 116.57 119.70 1ozo h LYS 30 Ca -0.47 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 1ozo h LYS 30 Cb 1.34 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1ozo h LYS 30 CO 0.46 0.19 -0.50 0.78 -2.27 0.00 0.00 179.45 178.11 1ozo h GLY 31 N 0.30 0.00 0.75 5.01 0.00 -1.96 -2.97 103.07 104.21 1ozo h GLY 31 Ca 0.71 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.77 1ozo h GLY 31 CO -0.47 0.00 -1.33 -2.09 0.00 0.00 0.00 176.54 172.65 1ozo h GLU 32 N 0.00 0.33 -0.77 4.80 4.81 -1.28 -3.35 114.58 119.12 1ozo h GLU 32 Ca -0.01 -0.56 0.17 0.00 -0.13 0.00 0.00 59.36 58.83 1ozo h GLU 32 Cb 1.35 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.83 1ozo h GLU 32 CO 0.06 1.27 0.22 1.25 -0.73 0.00 0.00 179.01 181.08 1ozo h LEU 33 N -0.18 0.09 -0.30 1.64 6.46 -0.75 -2.83 115.31 119.42 1ozo h LEU 33 Ca -0.26 0.15 -0.16 0.00 -0.12 0.00 0.00 57.88 57.49 1ozo h LEU 33 Cb 1.85 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.96 1ozo h LEU 33 CO 0.13 -0.02 -0.42 0.07 -0.62 0.00 0.00 178.44 177.59 1ozo h LYS 34 N 0.31 0.82 0.00 1.25 2.10 -1.67 -3.01 116.57 116.37 1ozo h LYS 34 Ca 0.44 -0.47 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1ozo h LYS 34 Cb 0.77 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1ozo h LYS 34 CO -0.51 1.11 0.00 -0.39 -2.00 0.00 0.00 179.45 177.66 1ozo h VAL 35 N 0.59 0.00 -0.09 0.07 -1.51 -1.63 0.14 116.25 113.82 1ozo h VAL 35 Ca 0.03 -0.35 -0.24 0.00 -1.23 0.00 0.00 66.70 64.92 1ozo h VAL 35 Cb 1.01 1.23 0.01 0.00 -2.13 0.00 0.00 31.29 31.42 1ozo h VAL 35 CO 0.10 0.00 -0.88 0.25 -1.23 0.00 0.00 177.57 175.81 1ozo h LEU 36 N 0.00 0.89 -0.15 4.19 5.85 -1.57 -3.41 115.31 121.11 1ozo h LEU 36 Ca 0.00 -0.63 -0.13 0.00 0.84 0.00 0.00 57.88 57.96 1ozo h LEU 36 Cb 0.40 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1ozo h LEU 36 CO 0.00 1.43 -0.62 0.24 -0.34 0.00 0.00 178.44 179.15 1ozo h MET 37 N 0.46 0.00 -0.48 1.25 2.86 -0.82 0.99 114.93 119.20 1ozo h MET 37 Ca -0.08 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1ozo h MET 37 Cb 1.51 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.15 1ozo h MET 37 CO 0.17 0.62 0.32 0.93 1.06 0.00 0.00 176.91 180.01 1ozo h GLU 38 N 0.00 0.48 0.00 1.72 5.08 -1.78 -0.80 114.58 119.27 1ozo h GLU 38 Ca -0.01 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1ozo h GLU 38 Cb 1.41 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1ozo h GLU 38 CO 0.08 0.31 -1.16 0.87 -1.00 0.00 0.00 179.01 178.12 1ozo h LYS 39 N 0.49 0.00 0.00 2.33 1.79 -1.71 -3.38 116.57 116.09 1ozo h LYS 39 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1ozo h LYS 39 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1ozo h LYS 39 CO -0.05 0.99 0.00 0.39 -1.08 0.00 0.00 179.45 179.70 1ozo n GLU 40 N -4.45 0.37 -2.78 3.15 -0.58 0.31 -4.66 120.64 112.00 1ozo n GLU 40 Ca -0.30 -0.36 -0.02 0.00 -0.42 0.00 0.00 57.16 56.06 1ozo n GLU 40 Cb 0.66 -0.85 0.05 0.00 -0.57 0.00 0.00 31.44 30.73 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 -0.16 1.78 -4.69 -4.62 4.32 -0.46 -4.95 117.00 108.22 1ozo n LEU 41 Ca 0.00 -3.17 -0.42 0.00 -0.02 0.00 0.00 56.01 52.40 1ozo n LEU 41 Cb 0.03 0.42 -0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1ozo n LEU 41 CO 0.00 1.13 0.88 -0.81 -1.22 0.00 0.00 177.39 177.37 1ozo n PRO 42 N -0.58 2.06 0.00 3.23 -0.04 -0.43 -2.09 135.00 137.15 1ozo n PRO 42 Ca 0.10 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1ozo n PRO 42 Cb 0.81 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.79 2.93 0.06 0.55 0.00 -1.26 -4.82 105.19 103.44 1ozo n GLY 43 Ca 0.05 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.01 1ozo n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ozo n PHE 44 N 0.00 0.34 0.27 1.61 3.01 -0.89 -3.35 117.46 118.45 1ozo n PHE 44 Ca 0.00 0.14 0.07 0.00 1.01 0.00 0.00 57.45 58.66 1ozo n PHE 44 Cb 0.00 -0.72 0.23 0.00 -0.01 0.00 0.00 39.48 38.98 1ozo n PHE 44 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ozo n LEU 45 N -1.81 3.01 -0.10 4.37 4.77 -1.26 -3.56 117.00 122.43 1ozo n LEU 45 Ca 0.03 -1.52 0.20 0.00 -0.03 0.00 0.00 56.01 54.69 1ozo n LEU 45 Cb 0.18 -0.41 0.62 0.00 -2.33 0.00 0.00 43.42 41.48 1ozo n LEU 45 CO 0.15 0.60 1.21 1.56 -1.33 0.00 0.00 177.39 179.58 1ozo h GLN 46 N 2.73 0.17 0.00 3.23 4.20 -1.95 -3.21 115.11 120.28 1ozo h GLN 46 Ca 0.00 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.47 1ozo h GLN 46 Cb 0.89 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1ozo h GLN 46 CO 0.10 0.11 -1.75 0.43 -0.67 0.00 0.00 178.83 177.05 1ozo n SER 47 N -4.41 1.87 -2.72 1.46 7.64 -1.25 -5.04 113.62 111.17 1ozo n SER 47 Ca 0.13 0.32 -0.21 0.00 1.01 0.00 0.00 58.87 60.12 1ozo n SER 47 Cb 0.63 -0.75 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.45 -0.49 0.00 0.23 0.00 -1.21 -4.93 105.19 100.24 1ozo n GLY 48 Ca -0.34 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ozo n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ozo n LYS 49 N -3.60 1.90 0.00 1.61 3.00 -1.25 -4.88 118.16 114.93 1ozo n LYS 49 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1ozo n LYS 49 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 1ozo n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ozo n ASP 50 N 0.00 1.39 -0.04 3.14 2.03 -1.26 -4.65 116.55 117.16 1ozo n ASP 50 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1ozo n ASP 50 Cb 0.00 0.11 -0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1ozo n ASP 50 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ozo n LYS 51 N -1.12 2.90 -3.05 -0.67 4.76 -1.26 -4.64 118.16 115.07 1ozo n LYS 51 Ca 0.00 -0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.25 1ozo n LYS 51 Cb 0.15 -1.08 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ozo n ASP 52 N -1.12 -0.90 0.00 4.39 5.75 -1.26 -4.84 116.55 118.57 1ozo n ASP 52 Ca 0.03 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1ozo n ASP 52 Cb 0.20 1.65 0.00 0.00 -1.03 0.00 0.00 41.12 41.94 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 -1.55 0.00 -0.16 2.12 0.00 -1.26 -0.76 120.51 118.89 1ozo n ALA 53 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1ozo n ALA 53 Cb 0.37 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.81 0.00 0.00 2.07 -1.82 0.26 116.25 117.57 1ozo h VAL 54 Ca 0.00 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1ozo h VAL 54 Cb 0.00 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1ozo h VAL 54 CO 0.00 0.06 -0.37 -0.78 0.02 0.00 0.00 177.57 176.50 1ozo h ASP 55 N 0.33 0.00 0.74 0.57 3.58 -1.21 -0.41 116.42 120.02 1ozo h ASP 55 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1ozo h ASP 55 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1ozo h ASP 55 CO -0.26 0.37 -0.82 0.29 -2.88 0.00 0.00 179.24 175.94 1ozo n LYS 56 N -3.74 0.34 0.00 0.28 4.76 -0.92 -0.13 118.16 118.75 1ozo n LYS 56 Ca -0.01 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1ozo n LYS 56 Cb 0.46 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1ozo n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ozo n LEU 57 N -2.15 0.04 -0.23 -0.35 7.99 0.87 -4.05 117.00 119.12 1ozo n LEU 57 Ca 0.02 0.82 -0.06 0.00 -0.01 0.00 0.00 56.01 56.79 1ozo n LEU 57 Cb 0.46 -0.35 -0.05 0.00 -0.11 0.00 0.00 43.42 43.37 1ozo n LEU 57 CO 0.38 -0.35 0.47 -0.11 -1.51 0.00 0.00 177.39 176.27 1ozo n LEU 58 N -1.54 -0.58 0.17 2.23 0.00 -0.16 -1.28 117.00 115.84 1ozo n LEU 58 Ca 0.00 1.38 0.18 0.00 0.00 0.00 0.00 56.01 57.57 1ozo n LEU 58 Cb 0.00 -0.33 0.80 0.00 0.00 0.00 0.00 43.42 43.89 1ozo n LEU 58 CO 0.00 -0.99 1.16 0.11 0.00 0.00 0.00 177.39 177.66 1ozo h LYS 59 N 0.00 0.00 0.04 1.96 1.79 -0.76 0.88 116.57 120.47 1ozo h LYS 59 Ca 0.09 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 1ozo h LYS 59 Cb 0.22 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1ozo h LYS 59 CO -0.51 0.00 -0.50 -0.44 -1.08 0.00 0.00 179.45 176.92 1ozo h ASP 60 N 0.00 0.13 -0.20 0.86 5.19 -1.33 -3.37 116.42 117.70 1ozo h ASP 60 Ca 0.12 -0.90 -0.18 0.00 -0.62 0.00 0.00 57.03 55.45 1ozo h ASP 60 Cb 0.65 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1ozo h ASP 60 CO -0.00 1.22 -0.58 0.17 -3.12 0.00 0.00 179.24 176.92 1ozo h LEU 61 N -0.81 0.86 -0.63 1.55 -0.00 -1.23 -3.25 115.31 111.79 1ozo h LEU 61 Ca -0.11 -0.58 0.25 0.00 -0.00 0.00 0.00 57.88 57.43 1ozo h LEU 61 Cb 1.25 -0.25 -0.10 0.00 -0.00 0.00 0.00 40.66 41.56 1ozo h LEU 61 CO -0.00 1.29 0.36 -0.67 -0.00 0.00 0.00 178.44 179.42 1ozo n ASP 62 N -4.07 0.19 0.32 0.17 -0.08 0.26 -1.20 116.55 112.13 1ozo n ASP 62 Ca -0.06 0.93 0.20 0.00 -1.51 0.00 0.00 54.79 54.35 1ozo n ASP 62 Cb 0.64 -0.45 1.08 0.00 2.34 0.00 0.00 41.12 44.73 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 1.11 1.19 0.00 -1.67 0.00 -1.72 -1.18 119.26 116.99 1ozo h ALA 63 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1ozo h ALA 63 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ozo h ALA 63 CO -0.41 -0.10 -0.48 -1.71 0.00 0.00 0.00 179.25 176.55 1ozo n ASN 64 N -3.16 0.49 0.00 0.00 4.05 -0.34 -4.88 115.26 111.41 1ozo n ASN 64 Ca -0.02 -0.14 0.00 0.00 0.45 0.00 0.00 54.58 54.86 1ozo n ASN 64 Cb 0.16 0.19 0.00 0.00 1.23 0.00 0.00 39.78 41.36 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 1.48 -1.06 2.06 8.20 0.00 -0.51 -4.85 105.19 110.50 1ozo n GLY 65 Ca 0.05 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.49 -1.10 0.00 1.61 2.03 -0.80 -5.05 116.55 110.75 1ozo n ASP 66 Ca 0.00 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1ozo n ASP 66 Cb 0.00 1.19 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 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 -3.09 0.00 -1.94 -1.67 0.00 -1.25 -4.85 120.51 107.71 1ozo n ALA 67 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 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 2.46 -0.26 0.00 -0.21 -1.26 -4.58 119.66 115.80 1ozo s GLN 68 Ca 0.00 0.53 -0.29 0.00 0.02 0.00 0.00 55.36 55.62 1ozo s GLN 68 Cb 0.00 -4.59 -0.01 0.00 1.00 0.00 0.00 33.01 29.41 1ozo s GLN 68 CO 0.00 -3.07 1.50 0.08 -2.12 0.00 0.00 175.29 171.68 1ozo s VAL 69 N 10.15 3.85 1.02 1.09 1.01 -1.08 -4.81 120.40 131.64 1ozo s VAL 69 Ca 0.74 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 1ozo s VAL 69 Cb -0.12 -3.89 0.20 0.00 0.00 0.00 0.00 36.38 32.57 1ozo s VAL 69 CO 0.16 -0.39 1.08 -0.62 0.00 0.00 0.00 175.10 175.33 1ozo s ASP 70 N 3.79 2.36 0.39 3.32 2.15 -1.26 -1.47 116.67 125.94 1ozo s ASP 70 Ca 0.66 1.34 0.09 0.00 0.43 0.00 0.00 52.55 55.06 1ozo s ASP 70 Cb -0.21 -2.03 0.81 0.00 -0.30 0.00 0.00 42.92 41.19 1ozo s ASP 70 CO 0.27 -3.32 1.96 2.19 -0.17 0.00 0.00 175.17 176.11 1ozo h PHE 71 N -2.02 0.34 0.36 -5.34 -5.15 -1.97 -0.61 116.94 102.56 1ozo h PHE 71 Ca -0.55 -0.02 -0.02 0.00 -0.20 0.00 0.00 57.97 57.18 1ozo h PHE 71 Cb 1.32 -0.10 0.00 0.00 0.22 0.00 0.00 35.95 37.39 1ozo h PHE 71 CO 0.31 0.36 -0.17 0.66 -2.00 0.00 0.00 178.31 177.47 1ozo h SER 72 N 0.33 -0.41 -0.46 -0.68 4.64 -1.98 0.19 113.55 115.17 1ozo h SER 72 Ca 0.08 -0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1ozo h SER 72 Cb 0.24 0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.34 1ozo h SER 72 CO 0.01 -0.14 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.23 1ozo h GLU 73 N -0.68 -0.17 0.50 4.77 5.08 -1.80 -1.70 114.58 120.59 1ozo h GLU 73 Ca -0.05 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ozo h GLU 73 Cb 0.48 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ozo h GLU 73 CO 0.08 -0.11 -0.25 0.35 -1.00 0.00 0.00 179.01 178.08 1ozo h PHE 74 N -0.17 -0.66 -0.86 4.33 3.57 -1.08 -2.94 116.94 119.12 1ozo h PHE 74 Ca 0.21 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.78 1ozo h PHE 74 Cb 0.50 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 1ozo h PHE 74 CO -0.52 -0.40 0.56 0.97 -2.23 0.00 0.00 178.31 176.69 1ozo h ILE 75 N -0.69 0.97 0.07 1.41 6.09 -0.42 0.34 117.51 125.29 1ozo h ILE 75 Ca -0.07 -0.29 -0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1ozo h ILE 75 Cb 0.54 0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.87 1ozo h ILE 75 CO 0.11 0.16 -0.03 0.58 -3.07 0.00 0.00 178.15 175.89 1ozo h VAL 76 N 0.86 0.94 0.00 2.19 2.07 -1.41 -2.14 116.25 118.76 1ozo h VAL 76 Ca 0.39 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.83 1ozo h VAL 76 Cb 0.39 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1ozo h VAL 76 CO -0.16 0.01 -0.23 -0.26 0.02 0.00 0.00 177.57 176.95 1ozo h PHE 77 N -0.11 0.00 -0.45 1.57 -1.00 -1.04 -2.91 116.94 113.00 1ozo h PHE 77 Ca -0.01 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.83 1ozo h PHE 77 Cb 0.09 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.60 1ozo h PHE 77 CO -0.07 0.23 0.15 0.28 -1.61 0.00 0.00 178.31 177.29 1ozo h VAL 78 N 0.00 0.85 0.00 -0.55 2.07 -0.31 0.27 116.25 118.57 1ozo h VAL 78 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ozo h VAL 78 Cb 1.15 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1ozo h VAL 78 CO 0.03 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1ozo n ALA 79 N -2.40 1.17 -0.01 1.67 0.00 -0.81 -1.16 120.51 118.97 1ozo n ALA 79 Ca 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1ozo n ALA 79 Cb 0.18 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 1ozo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozo n ALA 80 N -1.48 1.09 -0.25 0.00 0.00 0.31 -4.18 120.51 116.01 1ozo n ALA 80 Ca 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 1ozo n ALA 80 Cb 0.04 -0.69 0.10 0.00 0.00 0.00 0.00 19.45 18.89 1ozo n ALA 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ozo h ILE 81 N 0.05 1.02 0.00 0.00 1.08 0.94 0.58 117.51 121.17 1ozo h ILE 81 Ca -0.40 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1ozo h ILE 81 Cb 2.03 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1ozo h ILE 81 CO 0.08 0.14 -0.01 0.00 -0.69 0.00 0.00 178.15 177.67 1ozo h THR 82 N 0.77 0.13 -0.07 -0.27 1.03 -1.41 -0.71 112.91 112.39 1ozo h THR 82 Ca 0.30 -0.06 -0.22 0.00 -0.01 0.00 0.00 66.41 66.41 1ozo h THR 82 Cb 0.13 1.05 0.01 0.00 -1.07 0.00 0.00 68.15 68.27 1ozo h THR 82 CO -0.16 0.01 -0.86 0.77 -0.01 0.00 0.00 175.52 175.27 1ozo h SER 83 N 0.00 0.74 0.13 0.00 4.64 -1.06 0.18 113.55 118.18 1ozo h SER 83 Ca -0.00 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.77 1ozo h SER 83 Cb 0.05 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1ozo h SER 83 CO 0.00 1.32 -0.07 0.00 -0.87 0.00 0.00 176.83 177.20 1ozo h ALA 84 N 0.66 1.61 0.07 5.18 0.00 -0.73 -0.86 119.26 125.18 1ozo h ALA 84 Ca -0.07 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.41 1ozo h ALA 84 Cb 1.48 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1ozo h ALA 84 CO 0.16 0.09 -2.09 -1.13 0.00 0.00 0.00 179.25 176.28 1ozo n SER 85 N -4.06 1.77 0.32 0.00 3.41 -0.78 -4.25 113.62 110.03 1ozo n SER 85 Ca -0.03 0.15 0.20 0.00 -0.26 0.00 0.00 58.87 58.93 1ozo n SER 85 Cb 0.16 -0.52 1.11 0.00 -0.26 0.00 0.00 64.21 64.70 1ozo n SER 85 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1ozo h HIS 86 N 0.04 0.00 -0.01 7.33 6.17 -0.42 -1.54 115.15 126.72 1ozo h HIS 86 Ca -0.45 0.00 -0.49 0.00 0.71 0.00 0.00 60.37 60.15 1ozo h HIS 86 Cb 2.02 0.00 0.12 0.00 2.52 0.00 0.00 27.41 32.07 1ozo h HIS 86 CO 0.05 0.00 1.18 1.17 0.71 0.00 0.00 177.93 181.05 1ozo n LYS 87 N -3.32 0.01 -3.47 5.26 4.81 -0.35 -4.45 118.16 116.65 1ozo n LYS 87 Ca -0.03 -0.95 -0.36 0.00 -0.87 0.00 0.00 58.31 56.10 1ozo n LYS 87 Cb 0.09 -2.46 0.03 0.00 0.02 0.00 0.00 35.03 32.71 1ozo n LYS 87 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ozo n TYR 88 N 9.29 -2.73 -3.23 5.64 4.01 -1.12 -5.00 117.16 124.01 1ozo n TYR 88 Ca 0.42 1.14 -0.03 0.00 -0.16 0.00 0.00 57.90 59.27 1ozo n TYR 88 Cb 0.41 -2.05 0.00 0.00 -0.31 0.00 0.00 39.34 37.40 1ozo n TYR 88 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ozo n PHE 89 N -0.36 -2.27 0.12 -0.72 3.01 -0.59 -4.68 117.46 111.97 1ozo n PHE 89 Ca -0.09 -0.27 0.05 0.00 1.01 0.00 0.00 57.45 58.15 1ozo n PHE 89 Cb 0.67 -0.06 0.25 0.00 -0.01 0.00 0.00 39.48 40.33 1ozo n PHE 89 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1ozo n GLU 90 N -0.94 0.06 0.00 -1.08 0.28 -1.26 -0.00 120.64 117.70 1ozo n GLU 90 Ca 0.01 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1ozo n GLU 90 Cb 0.07 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 30.95 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 -1.84 0.00 -0.01 3.44 0.00 -1.26 -4.21 118.16 114.28 1ozo n LYS 91 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.44 1ozo n LYS 91 Cb 0.30 0.00 0.75 0.00 0.00 0.00 0.00 35.03 36.08 1ozo n LYS 91 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ozo n THR 92 N 0.00 0.01 0.23 3.15 5.66 -1.12 -0.17 114.28 122.05 1ozo n THR 92 Ca 0.00 -0.07 0.05 0.00 -3.05 0.00 0.00 64.05 60.98 1ozo n THR 92 Cb 0.00 -0.22 0.23 0.00 -1.55 0.00 0.00 70.33 68.79 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ozo n GLY 93 N 0.99 -0.80 1.50 1.09 0.00 0.99 -4.25 105.19 104.72 1ozo n GLY 93 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.67 0.25 0.00 0.99 7.94 -0.41 -4.96 117.00 119.14 1ozo n LEU 94 Ca 0.01 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1ozo n LEU 94 Cb 0.09 0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1ozo n LEU 94 CO 0.08 -0.52 0.00 2.29 -1.11 0.00 0.00 177.39 178.12