#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 0.15 1.12 -2.24 -1.26 -4.93 114.28 107.12 1ozo n THR 2 Ca 0.00 -1.11 -0.13 0.00 -2.27 0.00 0.00 64.05 60.53 1ozo n THR 2 Cb 0.00 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.47 -0.33 -0.78 5.08 -2.05 0.18 114.58 116.20 1ozo h GLU 3 Ca -0.23 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1ozo h GLU 3 Cb 0.94 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 1ozo h GLU 3 CO 0.31 -0.31 -0.14 1.25 -1.00 0.00 0.00 179.01 179.11 1ozo h LEU 4 N -0.49 -0.48 -0.01 1.33 5.85 -2.00 -2.81 115.31 116.71 1ozo h LEU 4 Ca 0.01 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 1ozo h LEU 4 Cb 0.47 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1ozo h LEU 4 CO -0.08 -0.17 -0.62 -0.33 -0.34 0.00 0.00 178.44 176.90 1ozo h GLU 5 N -0.08 0.00 0.76 1.25 4.39 -1.90 -1.59 114.58 117.41 1ozo h GLU 5 Ca 0.17 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 1ozo h GLU 5 Cb 0.33 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1ozo h GLU 5 CO -0.39 0.62 -0.36 0.00 -1.16 0.00 0.00 179.01 177.72 1ozo h ALA 6 N 1.38 -1.02 -0.56 3.43 0.00 -0.60 0.93 119.26 122.83 1ozo h ALA 6 Ca -0.01 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1ozo h ALA 6 Cb 1.47 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.57 1ozo h ALA 6 CO 0.08 -1.05 0.05 0.00 0.00 0.00 0.00 179.25 178.32 1ozo h ALA 7 N -0.82 0.59 -0.02 0.00 0.00 -1.48 -0.41 119.26 117.11 1ozo h ALA 7 Ca -0.10 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ozo h ALA 7 Cb 0.79 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ozo h ALA 7 CO 0.17 -0.36 -0.24 0.52 0.00 0.00 0.00 179.25 179.34 1ozo h MET 8 N 0.17 0.04 -0.10 0.00 2.07 -1.25 0.37 114.93 116.22 1ozo h MET 8 Ca 0.29 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.94 1ozo h MET 8 Cb 0.44 -0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.16 1ozo h MET 8 CO -0.43 0.28 0.24 0.78 1.07 0.00 0.00 176.91 178.86 1ozo h GLY 9 N 0.78 0.00 1.41 8.32 0.00 0.91 0.14 103.07 114.63 1ozo h GLY 9 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 1ozo h GLY 9 CO 0.03 0.00 -1.00 -0.33 0.00 0.00 0.00 176.54 175.25 1ozo h MET 10 N 0.00 0.00 0.00 4.80 2.86 -0.46 0.14 114.93 122.27 1ozo h MET 10 Ca 0.05 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 1ozo h MET 10 Cb 0.54 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 1ozo h MET 10 CO -0.00 0.35 -1.68 0.44 1.06 0.00 0.00 176.91 177.08 1ozo n ILE 11 N -3.01 1.09 0.17 -1.22 -0.00 -0.81 -1.72 119.36 113.86 1ozo n ILE 11 Ca -0.04 -0.70 0.02 0.00 -0.00 0.00 0.00 62.75 62.03 1ozo n ILE 11 Cb 0.77 -0.61 0.33 0.00 -0.00 0.00 0.00 39.64 40.14 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 1.28 0.31 7.28 2.04 -0.88 -2.45 117.51 125.10 1ozo h ILE 12 Ca -0.22 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 1ozo h ILE 12 Cb 1.65 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1ozo h ILE 12 CO 0.04 0.39 -0.25 -0.78 0.00 0.00 0.00 178.15 177.55 1ozo h ASP 13 N 0.02 -0.65 -1.00 1.72 3.58 -0.68 0.30 116.42 119.70 1ozo h ASP 13 Ca -0.00 0.05 0.22 0.00 0.42 0.00 0.00 57.03 57.72 1ozo h ASP 13 Cb 0.70 0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.86 1ozo h ASP 13 CO 0.05 -0.37 0.62 0.58 -2.88 0.00 0.00 179.24 177.24 1ozo h VAL 14 N -0.57 0.63 -0.21 2.25 2.07 -1.22 0.20 116.25 119.39 1ozo h VAL 14 Ca -0.02 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1ozo h VAL 14 Cb 0.50 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1ozo h VAL 14 CO -0.02 0.11 -0.35 0.15 0.02 0.00 0.00 177.57 177.49 1ozo h PHE 15 N 0.59 0.75 0.00 1.57 3.04 -1.24 -1.37 116.94 120.29 1ozo h PHE 15 Ca 0.58 -0.26 0.00 0.00 3.98 0.00 0.00 57.97 62.27 1ozo h PHE 15 Cb 1.15 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.51 1ozo h PHE 15 CO -0.00 1.00 0.00 0.43 -2.02 0.00 0.00 178.31 177.72 1ozo n SER 16 N -4.29 0.08 -0.04 0.41 7.64 0.10 -0.45 113.62 117.07 1ozo n SER 16 Ca -0.05 0.53 -0.05 0.00 1.01 0.00 0.00 58.87 60.31 1ozo n SER 16 Cb 0.50 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 1ozo n SER 16 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1ozo n ARG 17 N -1.60 1.56 -0.00 1.43 0.63 0.32 -2.19 116.66 116.81 1ozo n ARG 17 Ca 0.00 0.03 0.05 0.00 -0.92 0.00 0.00 57.85 57.01 1ozo n ARG 17 Cb 0.03 -1.20 -0.06 0.00 0.45 0.00 0.00 32.46 31.67 1ozo n ARG 17 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ozo n TYR 18 N -2.53 0.00 0.57 -0.14 4.01 -0.52 -3.82 117.16 114.73 1ozo n TYR 18 Ca -0.15 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.69 1ozo n TYR 18 Cb 0.73 -0.02 0.13 0.00 -0.31 0.00 0.00 39.34 39.87 1ozo n TYR 18 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ozo n SER 19 N -1.30 2.93 -2.15 7.72 2.88 0.40 -4.76 113.62 119.35 1ozo n SER 19 Ca 0.02 -1.88 -0.20 0.00 -1.33 0.00 0.00 58.87 55.47 1ozo n SER 19 Cb 0.18 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 1ozo n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ozo n GLY 20 N 1.19 0.26 5.00 0.46 0.00 -1.22 -2.53 105.19 108.35 1ozo n GLY 20 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ozo n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozo n SER 21 N -1.79 0.00 -3.97 1.61 2.88 -0.93 -4.78 113.62 106.64 1ozo n SER 21 Ca -0.23 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.22 1ozo n SER 21 Cb 0.68 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.04 1ozo n SER 21 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ozo s GLU 22 N 0.00 0.48 0.00 -1.46 2.02 -1.05 -4.54 118.70 114.15 1ozo s GLU 22 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1ozo s GLU 22 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1ozo s GLU 22 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1ozo n GLY 23 N 1.01 0.00 0.00 -1.39 0.00 -1.22 -5.00 105.19 98.59 1ozo n GLY 23 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.04 113.62 111.80 1ozo n SER 24 Ca 0.00 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 1ozo n SER 24 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ozo n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ozo n THR 25 N 0.00 0.00 -2.00 2.46 -1.04 -1.26 -4.78 114.28 107.67 1ozo n THR 25 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1ozo n THR 25 Cb 0.25 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.79 1ozo n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ozo n GLN 26 N 0.00 2.90 -3.73 -2.82 10.64 -1.26 -4.57 117.38 118.53 1ozo n GLN 26 Ca 0.00 -3.72 -0.13 0.00 -1.83 0.00 0.00 57.00 51.32 1ozo n GLN 26 Cb 0.00 -2.27 -0.14 0.00 -0.86 0.00 0.00 30.24 26.98 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 -5.15 -0.05 -0.44 -0.39 -4.23 -1.26 -3.46 115.64 100.66 1ozo s THR 27 Ca 0.52 0.16 -0.27 0.00 -1.18 0.00 0.00 61.69 60.93 1ozo s THR 27 Cb 0.44 -0.33 -0.05 0.00 1.34 0.00 0.00 72.50 73.89 1ozo s THR 27 CO -0.34 0.07 2.18 -0.76 -0.54 0.00 0.00 174.62 175.23 1ozo s LEU 28 N 1.27 3.40 0.89 4.79 1.02 0.69 -4.64 118.68 126.10 1ozo s LEU 28 Ca -0.09 1.11 -0.12 0.00 0.02 0.00 0.00 54.13 55.05 1ozo s LEU 28 Cb -0.11 -2.83 0.12 0.00 0.02 0.00 0.00 46.19 43.39 1ozo s LEU 28 CO -0.08 -2.46 1.09 0.28 0.02 0.00 0.00 176.35 175.21 1ozo s THR 29 N 10.15 2.67 0.50 5.49 -1.32 -1.26 -0.77 115.64 131.10 1ozo s THR 29 Ca 0.90 0.22 0.21 0.00 -1.21 0.00 0.00 61.69 61.81 1ozo s THR 29 Cb -0.20 -2.74 0.37 0.00 -1.51 0.00 0.00 72.50 68.42 1ozo s THR 29 CO 0.28 -0.29 2.00 0.50 -2.21 0.00 0.00 174.62 174.90 1ozo h LYS 30 N -1.51 0.11 0.00 7.08 3.64 -1.94 0.93 116.57 124.88 1ozo h LYS 30 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ozo h LYS 30 Cb 1.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1ozo h LYS 30 CO 0.55 0.07 -0.73 0.78 -2.27 0.00 0.00 179.45 177.86 1ozo h GLY 31 N 0.12 0.00 0.87 5.01 0.00 -1.98 -3.31 103.07 103.78 1ozo h GLY 31 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.24 1ozo h GLY 31 CO -0.03 0.00 -1.69 -2.09 0.00 0.00 0.00 176.54 172.73 1ozo h GLU 32 N 0.00 0.38 -0.67 4.80 4.81 -1.49 -3.36 114.58 119.05 1ozo h GLU 32 Ca 0.00 -0.65 0.11 0.00 -0.13 0.00 0.00 59.36 58.69 1ozo h GLU 32 Cb 0.96 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1ozo h GLU 32 CO 0.00 1.31 0.45 1.25 -0.73 0.00 0.00 179.01 181.29 1ozo h LEU 33 N 0.05 0.41 -0.23 1.64 6.46 -1.03 -3.34 115.31 119.27 1ozo h LEU 33 Ca -0.34 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.27 1ozo h LEU 33 Cb 2.05 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.91 1ozo h LEU 33 CO 0.16 0.24 -0.52 0.07 -0.62 0.00 0.00 178.44 177.77 1ozo h LYS 34 N 0.45 0.75 0.00 1.25 2.10 -1.71 -3.12 116.57 116.30 1ozo h LYS 34 Ca 0.32 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1ozo h LYS 34 Cb 0.63 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1ozo h LYS 34 CO -0.10 1.13 0.00 0.28 -2.00 0.00 0.00 179.45 178.76 1ozo n VAL 35 N -4.10 0.67 0.09 0.07 0.31 -1.25 -0.77 118.33 113.35 1ozo n VAL 35 Ca -0.06 0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1ozo n VAL 35 Cb 0.61 -0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 1ozo n VAL 35 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ozo h LEU 36 N 0.00 0.39 0.15 7.52 5.85 -1.75 -3.38 115.31 124.09 1ozo h LEU 36 Ca 0.00 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1ozo h LEU 36 Cb 0.41 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ozo h LEU 36 CO 0.00 1.26 -0.07 0.24 -0.34 0.00 0.00 178.44 179.52 1ozo h MET 37 N 0.10 -0.20 -1.07 1.25 2.86 -0.89 0.17 114.93 117.16 1ozo h MET 37 Ca -0.10 0.01 0.29 0.00 -2.06 0.00 0.00 59.70 57.84 1ozo h MET 37 Cb 1.82 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 33.43 1ozo h MET 37 CO 0.18 0.25 0.70 0.93 1.06 0.00 0.00 176.91 180.02 1ozo h GLU 38 N -0.78 0.32 0.00 1.72 5.08 -1.76 0.13 114.58 119.30 1ozo h GLU 38 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ozo h GLU 38 Cb 0.53 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ozo h GLU 38 CO 0.03 0.21 -0.05 0.87 -1.00 0.00 0.00 179.01 179.08 1ozo h LYS 39 N 0.33 0.00 -0.01 2.33 1.79 -1.72 -3.42 116.57 115.87 1ozo h LYS 39 Ca 0.61 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 1ozo h LYS 39 Cb 1.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 1ozo h LYS 39 CO -0.28 0.00 -0.29 0.39 -1.08 0.00 0.00 179.45 178.19 1ozo n GLU 40 N -2.66 1.65 -2.87 3.15 -0.58 0.61 -4.53 120.64 115.40 1ozo n GLU 40 Ca -0.01 -0.89 -0.19 0.00 -0.42 0.00 0.00 57.16 55.65 1ozo n GLU 40 Cb 0.02 -1.27 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.01 2.53 -4.03 -4.62 4.32 0.03 -5.00 117.00 110.22 1ozo n LEU 41 Ca 0.07 -4.87 -0.37 0.00 -0.02 0.00 0.00 56.01 50.83 1ozo n LEU 41 Cb 0.34 0.14 0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1ozo n LEU 41 CO 0.19 2.11 -0.90 -2.65 -1.22 0.00 0.00 177.39 174.91 1ozo n PRO 42 N -0.07 0.00 0.00 3.23 -0.02 -1.17 -3.42 135.00 133.55 1ozo n PRO 42 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1ozo n PRO 42 Cb 0.64 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 1ozo n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ozo n GLY 43 N 2.83 1.95 0.34 -1.23 0.00 -1.26 -4.64 105.19 103.19 1ozo n GLY 43 Ca 0.04 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.95 -0.09 116.94 116.54 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 -0.07 -0.60 0.00 0.00 178.31 177.64 1ozo h LEU 45 N 0.00 0.00 -2.33 1.54 3.38 -1.82 -2.21 115.31 113.86 1ozo h LEU 45 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ozo h LEU 45 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ozo h LEU 45 CO -0.00 0.00 -0.01 1.56 0.09 0.00 0.00 178.44 180.08 1ozo h GLN 46 N 0.00 0.00 0.00 1.13 1.08 -1.40 -2.79 115.11 113.14 1ozo h GLN 46 Ca 0.00 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.83 1ozo h GLN 46 Cb 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 1ozo h GLN 46 CO 0.00 0.01 -2.36 0.43 -0.95 0.00 0.00 178.83 175.95 1ozo n SER 47 N -4.02 2.11 0.00 1.46 7.64 -1.03 -5.02 113.62 114.76 1ozo n SER 47 Ca -0.03 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1ozo n SER 47 Cb 0.09 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 2.25 0.39 0.00 0.23 0.00 -0.86 -4.28 105.19 102.92 1ozo n GLY 48 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1ozo n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ozo n LYS 49 N -1.80 0.00 -2.99 1.61 0.00 -1.25 -4.68 118.16 109.04 1ozo n LYS 49 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 1ozo n LYS 49 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1ozo n LYS 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ozo n ASP 50 N 0.00 -3.56 0.00 -5.58 8.00 -1.26 -1.31 116.55 112.83 1ozo n ASP 50 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1ozo n ASP 50 Cb 0.00 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 1ozo n ASP 50 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ozo n LYS 51 N -3.33 0.00 0.10 -1.24 -0.00 -1.26 -4.71 118.16 107.72 1ozo n LYS 51 Ca -0.06 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.32 1ozo n LYS 51 Cb 0.56 -2.20 0.00 0.00 -0.00 0.00 0.00 35.03 33.39 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1ozo h ASP 52 N 0.00 0.00 -3.29 -5.58 3.32 -1.65 -3.41 116.42 105.81 1ozo h ASP 52 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1ozo h ASP 52 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1ozo h ASP 52 CO 0.00 0.25 -0.21 0.00 -1.72 0.00 0.00 179.24 177.57 1ozo n ALA 53 N -2.24 0.30 0.00 3.45 0.00 -0.43 -4.51 120.51 117.08 1ozo n ALA 53 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1ozo n ALA 53 Cb 0.66 0.73 0.00 0.00 0.00 0.00 0.00 19.45 20.85 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 -0.30 0.00 -0.21 0.00 0.31 -1.26 -3.90 118.33 112.97 1ozo n VAL 54 Ca 0.03 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1ozo n VAL 54 Cb 0.28 0.00 0.39 0.00 -0.91 0.00 0.00 33.84 33.61 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 0.60 1.01 4.52 3.58 -1.87 -2.43 116.42 121.83 1ozo h ASP 55 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 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 0.34 -0.96 0.11 -2.88 0.00 0.00 179.24 175.85 1ozo h LYS 56 N 0.66 0.00 0.00 0.28 1.79 -1.79 0.22 116.57 117.74 1ozo h LYS 56 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1ozo h LYS 56 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1ozo h LYS 56 CO -0.15 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.50 1ozo n LEU 57 N -2.67 0.00 -0.01 2.94 7.99 -1.08 -3.07 117.00 121.11 1ozo n LEU 57 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 1ozo n LEU 57 Cb 0.54 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.85 1ozo n LEU 57 CO 0.40 0.00 -0.16 -0.11 -1.51 0.00 0.00 177.39 176.01 1ozo n LEU 58 N -0.93 0.71 0.03 2.23 0.00 -0.94 -4.76 117.00 113.34 1ozo n LEU 58 Ca 0.17 0.11 0.22 0.00 0.00 0.00 0.00 56.01 56.50 1ozo n LEU 58 Cb 0.08 -0.38 0.73 0.00 0.00 0.00 0.00 43.42 43.85 1ozo n LEU 58 CO 0.13 -0.51 1.19 0.11 0.00 0.00 0.00 177.39 178.31 1ozo h LYS 59 N -0.23 0.00 -0.01 1.96 1.79 -0.63 0.70 116.57 120.15 1ozo h LYS 59 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1ozo h LYS 59 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1ozo h LYS 59 CO 0.00 0.00 -0.82 -0.44 -1.08 0.00 0.00 179.45 177.11 1ozo h ASP 60 N 0.00 0.24 0.09 0.86 5.19 -1.80 -3.37 116.42 117.63 1ozo h ASP 60 Ca 0.24 -0.19 -0.37 0.00 -0.62 0.00 0.00 57.03 56.10 1ozo h ASP 60 Cb 1.14 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.53 1ozo h ASP 60 CO -0.00 0.96 -2.20 0.00 -3.12 0.00 0.00 179.24 174.88 1ozo n LEU 61 N -3.69 2.61 -0.22 1.55 -0.00 -0.05 -4.44 117.00 112.75 1ozo n LEU 61 Ca -0.03 0.07 0.18 0.00 -0.00 0.00 0.00 56.01 56.23 1ozo n LEU 61 Cb 0.77 -0.92 0.31 0.00 -0.00 0.00 0.00 43.42 43.58 1ozo n LEU 61 CO 0.47 0.86 0.55 -0.67 -0.00 0.00 0.00 177.39 178.60 1ozo n ASP 62 N -3.35 0.08 0.26 1.45 -0.08 0.04 -0.62 116.55 114.34 1ozo n ASP 62 Ca -0.37 0.59 0.18 0.00 -1.51 0.00 0.00 54.79 53.68 1ozo n ASP 62 Cb 1.03 -0.29 0.85 0.00 2.34 0.00 0.00 41.12 45.05 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 0.68 1.56 0.00 -1.67 0.00 -1.78 -1.18 119.26 116.87 1ozo h ALA 63 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ozo h ALA 63 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ozo h ALA 63 CO -0.19 -0.36 -0.32 -1.71 0.00 0.00 0.00 179.25 176.67 1ozo n ASN 64 N -3.26 0.42 0.00 0.00 4.05 0.21 -4.88 115.26 111.80 1ozo n ASN 64 Ca 0.01 0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.18 1ozo n ASN 64 Cb 0.39 -0.11 0.00 0.00 1.23 0.00 0.00 39.78 41.29 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 1.45 -1.33 2.06 8.20 0.00 -0.51 -4.87 105.19 110.19 1ozo n GLY 65 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.85 -1.20 0.00 1.61 2.03 -0.84 -5.04 116.55 111.26 1ozo n ASP 66 Ca 0.00 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1ozo n ASP 66 Cb 0.00 1.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.68 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 -3.21 0.00 -1.63 -1.67 0.00 -1.26 -4.83 120.51 107.92 1ozo n ALA 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 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 2.05 -0.69 0.00 -0.21 -1.26 -4.68 119.66 114.87 1ozo s GLN 68 Ca 0.00 1.04 -0.27 0.00 0.02 0.00 0.00 55.36 56.14 1ozo s GLN 68 Cb 0.00 -4.63 0.03 0.00 1.00 0.00 0.00 33.01 29.41 1ozo s GLN 68 CO 0.00 -3.51 1.25 0.08 -2.12 0.00 0.00 175.29 170.99 1ozo s VAL 69 N 12.43 3.81 1.00 1.09 1.01 0.05 -4.74 120.40 135.06 1ozo s VAL 69 Ca 0.92 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 1ozo s VAL 69 Cb -0.15 -4.86 0.18 0.00 0.00 0.00 0.00 36.38 31.56 1ozo s VAL 69 CO 0.20 -1.69 1.06 -0.67 0.00 0.00 0.00 175.10 173.99 1ozo n ASP 70 N 9.09 -0.40 -0.04 3.32 2.03 -1.26 -0.22 116.55 129.06 1ozo n ASP 70 Ca 0.05 0.24 0.09 0.00 0.52 0.00 0.00 54.79 55.69 1ozo n ASP 70 Cb 0.49 -1.40 0.48 0.00 -0.72 0.00 0.00 41.12 39.97 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 -2.12 0.45 0.38 -0.67 -0.00 -1.94 0.06 116.94 113.10 1ozo h PHE 71 Ca -0.48 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.48 1ozo h PHE 71 Cb 1.29 -0.15 0.00 0.00 -0.00 0.00 0.00 35.95 37.09 1ozo h PHE 71 CO 0.42 0.24 -0.18 0.66 -0.00 0.00 0.00 178.31 179.45 1ozo h SER 72 N 0.45 -0.43 -0.37 -0.68 4.64 -1.92 0.18 113.55 115.42 1ozo h SER 72 Ca 0.22 -0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.53 1ozo h SER 72 Cb 0.31 0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.44 1ozo h SER 72 CO -0.06 -0.16 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.27 1ozo h GLU 73 N -0.70 -0.07 0.35 4.77 5.08 -1.77 -0.80 114.58 121.45 1ozo h GLU 73 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ozo h GLU 73 Cb 0.49 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ozo h GLU 73 CO 0.09 -0.04 -0.22 0.35 -1.00 0.00 0.00 179.01 178.18 1ozo h PHE 74 N -0.07 -0.59 -0.61 4.33 3.57 -0.98 -1.93 116.94 120.67 1ozo h PHE 74 Ca 0.18 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1ozo h PHE 74 Cb 0.35 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1ozo h PHE 74 CO -0.37 -0.33 0.40 0.97 -2.23 0.00 0.00 178.31 176.75 1ozo h ILE 75 N -0.54 1.06 0.37 1.41 6.09 -0.42 0.46 117.51 125.94 1ozo h ILE 75 Ca -0.05 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.19 1ozo h ILE 75 Cb 0.43 0.31 0.00 0.00 0.47 0.00 0.00 36.82 38.04 1ozo h ILE 75 CO 0.04 0.13 -0.18 0.58 -3.07 0.00 0.00 178.15 175.65 1ozo h VAL 76 N 0.69 0.65 0.00 2.19 2.07 -1.19 -2.81 116.25 117.84 1ozo h VAL 76 Ca 0.25 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1ozo h VAL 76 Cb 0.13 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1ozo h VAL 76 CO -0.07 0.02 0.00 -0.26 0.02 0.00 0.00 177.57 177.28 1ozo h PHE 77 N -0.54 0.00 -0.13 1.57 -1.00 -0.45 -2.67 116.94 113.72 1ozo h PHE 77 Ca -0.05 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.77 1ozo h PHE 77 Cb 0.41 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.93 1ozo h PHE 77 CO -0.04 0.00 -0.12 0.28 -1.61 0.00 0.00 178.31 176.82 1ozo h VAL 78 N 0.00 0.65 0.00 -0.55 2.07 -0.11 0.36 116.25 118.67 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 0.75 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1ozo h VAL 78 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1ozo h ALA 79 N 0.94 1.00 0.19 1.67 0.00 -1.21 -0.70 119.26 121.16 1ozo h ALA 79 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.67 1ozo h ALA 79 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ozo h ALA 79 CO -0.22 0.00 -1.55 0.00 0.00 0.00 0.00 179.25 177.49 1ozo h ALA 80 N 2.05 0.06 -0.41 0.00 0.00 -0.83 -3.33 119.26 116.79 1ozo h ALA 80 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 54.91 53.97 1ozo h ALA 80 Cb 0.07 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1ozo h ALA 80 CO 0.00 0.92 0.08 0.82 0.00 0.00 0.00 179.25 181.07 1ozo h ILE 81 N 0.11 0.78 0.00 0.00 1.08 0.12 0.32 117.51 119.92 1ozo h ILE 81 Ca -0.27 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1ozo h ILE 81 Cb 2.09 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 36.40 1ozo h ILE 81 CO 0.21 0.04 -0.05 0.00 -0.69 0.00 0.00 178.15 177.67 1ozo h THR 82 N 0.21 0.32 0.16 -0.27 1.03 -1.63 -0.84 112.91 111.88 1ozo h THR 82 Ca 0.20 -0.28 -0.26 0.00 -0.01 0.00 0.00 66.41 66.06 1ozo h THR 82 Cb 0.24 1.21 0.01 0.00 -1.07 0.00 0.00 68.15 68.54 1ozo h THR 82 CO -0.26 0.05 -1.22 0.28 -0.01 0.00 0.00 175.52 174.35 1ozo h SER 83 N 0.00 0.52 -0.76 0.00 0.02 -1.18 -3.34 113.55 108.81 1ozo h SER 83 Ca -0.00 -0.91 0.08 0.00 -0.84 0.00 0.00 61.79 60.12 1ozo h SER 83 Cb 0.20 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 1ozo h SER 83 CO 0.01 1.56 0.42 0.00 -1.14 0.00 0.00 176.83 177.68 1ozo h ALA 84 N 0.05 1.05 0.00 3.77 0.00 0.08 -1.37 119.26 122.84 1ozo h ALA 84 Ca -0.24 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ozo h ALA 84 Cb 1.82 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ozo h ALA 84 CO 0.14 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1ozo n SER 85 N -4.77 0.00 0.15 0.00 3.41 -0.37 -4.48 113.62 107.56 1ozo n SER 85 Ca 0.11 -0.71 -0.11 0.00 -0.26 0.00 0.00 58.87 57.90 1ozo n SER 85 Cb 0.23 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1ozo n SER 85 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1ozo h HIS 86 N 0.00 -0.92 -2.32 7.33 2.07 -1.36 -3.46 115.15 116.48 1ozo h HIS 86 Ca 0.00 0.01 -0.22 0.00 -2.85 0.00 0.00 60.37 57.31 1ozo h HIS 86 Cb 0.00 0.37 -0.06 0.00 2.57 0.00 0.00 27.41 30.29 1ozo h HIS 86 CO 0.00 -0.42 -0.22 1.63 -3.07 0.00 0.00 177.93 175.85 1ozo n LYS 87 N -4.35 -1.60 -2.09 5.12 5.02 -1.26 -1.25 118.16 117.74 1ozo n LYS 87 Ca -0.07 0.59 -0.10 0.00 -2.02 0.00 0.00 58.31 56.72 1ozo n LYS 87 Cb 0.29 -4.92 -0.02 0.00 -0.02 0.00 0.00 35.03 30.36 1ozo n LYS 87 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ozo n TYR 88 N -2.23 -1.24 -4.42 2.13 4.01 -1.26 -5.01 117.16 109.14 1ozo n TYR 88 Ca -0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.42 1ozo n TYR 88 Cb 0.43 -2.29 -0.10 0.00 -0.31 0.00 0.00 39.34 37.07 1ozo n TYR 88 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1ozo s PHE 89 N -2.27 1.89 0.00 -0.72 -0.12 -0.38 -0.49 117.98 115.89 1ozo s PHE 89 Ca 0.00 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 55.97 1ozo s PHE 89 Cb 0.00 -1.18 0.00 0.00 -0.63 0.00 0.00 43.02 41.21 1ozo s PHE 89 CO 0.00 0.04 0.00 -1.91 -0.05 0.00 0.00 175.22 173.30 1ozo n GLU 90 N -0.62 0.00 -0.01 1.99 2.13 -1.26 -4.28 120.64 118.59 1ozo n GLU 90 Ca -0.03 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.87 1ozo n GLU 90 Cb 0.66 -1.01 -0.12 0.00 0.27 0.00 0.00 31.44 31.23 1ozo n GLU 90 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ozo n LYS 91 N 0.00 0.49 0.08 5.31 4.01 -1.26 -4.54 118.16 122.24 1ozo n LYS 91 Ca 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1ozo n LYS 91 Cb 0.00 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1ozo n LYS 91 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1ozo n THR 92 N -2.06 0.00 0.42 -0.18 5.66 -1.26 -4.77 114.28 112.09 1ozo n THR 92 Ca -0.03 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.01 1ozo n THR 92 Cb 0.42 -0.38 0.21 0.00 -1.55 0.00 0.00 70.33 69.02 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 0.79 -0.37 1.32 1.09 0.00 0.36 -1.13 105.19 107.25 1ozo n GLY 93 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1ozo n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ozo n LEU 94 N -1.13 0.37 0.00 0.99 -0.00 -1.26 -4.89 117.00 111.07 1ozo n LEU 94 Ca 0.05 -1.97 0.13 0.00 -0.00 0.00 0.00 56.01 54.21 1ozo n LEU 94 Cb 0.04 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.20 1ozo n LEU 94 CO 0.05 0.80 0.92 1.17 -0.00 0.00 0.00 177.39 180.33