#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozo s THR 2 N 0.00 1.59 0.18 2.03 -4.23 -1.26 -4.62 115.64 109.33 1ozo s THR 2 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1ozo s THR 2 Cb 0.00 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.41 1ozo s THR 2 CO 0.00 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.47 1ozo h GLU 3 N -2.58 0.23 0.56 3.99 4.39 -2.05 0.35 114.58 119.48 1ozo h GLU 3 Ca -0.44 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 1ozo h GLU 3 Cb 1.28 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1ozo h GLU 3 CO 0.32 0.15 -0.48 1.25 -1.16 0.00 0.00 179.01 179.09 1ozo h LEU 4 N 0.24 -1.28 -1.39 1.33 6.46 -1.99 -0.76 115.31 117.92 1ozo h LEU 4 Ca 0.24 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 58.03 1ozo h LEU 4 Cb 0.32 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1ozo h LEU 4 CO -0.32 -0.66 -0.30 -0.33 -0.62 0.00 0.00 178.44 176.21 1ozo h GLU 5 N -1.01 0.00 0.00 1.25 5.08 -1.81 -2.25 114.58 115.84 1ozo h GLU 5 Ca -0.07 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1ozo h GLU 5 Cb 0.86 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1ozo h GLU 5 CO -0.01 0.31 -0.90 0.00 -1.00 0.00 0.00 179.01 177.41 1ozo h ALA 6 N 1.69 0.66 -0.50 3.43 0.00 -0.31 0.53 119.26 124.77 1ozo h ALA 6 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ozo h ALA 6 Cb 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ozo h ALA 6 CO 0.04 0.67 0.30 0.00 0.00 0.00 0.00 179.25 180.26 1ozo h ALA 7 N 1.53 0.64 0.00 0.00 0.00 -0.88 0.25 119.26 120.79 1ozo h ALA 7 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ozo h ALA 7 Cb 1.42 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ozo h ALA 7 CO 0.05 0.13 -0.05 0.52 0.00 0.00 0.00 179.25 179.90 1ozo h MET 8 N 0.67 0.00 -0.22 0.00 2.07 -1.24 -1.71 114.93 114.50 1ozo h MET 8 Ca 0.18 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.78 1ozo h MET 8 Cb -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1ozo h MET 8 CO -0.03 0.05 0.04 0.78 1.07 0.00 0.00 176.91 178.81 1ozo h GLY 9 N 2.04 0.39 2.00 8.32 0.00 0.66 0.63 103.07 117.12 1ozo h GLY 9 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1ozo h GLY 9 CO 0.01 0.24 -0.14 0.00 0.00 0.00 0.00 176.54 176.65 1ozo h MET 10 N 0.17 0.00 0.38 4.80 -0.00 -0.35 0.30 114.93 120.23 1ozo h MET 10 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.75 1ozo h MET 10 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1ozo h MET 10 CO 0.00 0.14 -0.18 0.82 -0.00 0.00 0.00 176.91 177.69 1ozo h ILE 11 N 0.00 0.63 -0.03 -0.10 2.04 -1.20 0.73 117.51 119.58 1ozo h ILE 11 Ca -0.00 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1ozo h ILE 11 Cb 0.83 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1ozo h ILE 11 CO 0.02 0.04 0.09 0.40 0.00 0.00 0.00 178.15 178.70 1ozo h ILE 12 N -0.63 0.15 0.08 -0.67 2.04 -0.55 -0.89 117.51 117.04 1ozo h ILE 12 Ca -0.05 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.56 1ozo h ILE 12 Cb 0.46 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1ozo h ILE 12 CO 0.09 0.00 -1.14 -0.78 0.00 0.00 0.00 178.15 176.32 1ozo h ASP 13 N 0.00 0.26 0.38 1.72 3.58 0.03 0.17 116.42 122.57 1ozo h ASP 13 Ca 0.01 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.11 1ozo h ASP 13 Cb 0.20 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1ozo h ASP 13 CO -0.00 1.21 -0.36 0.58 -2.88 0.00 0.00 179.24 177.79 1ozo h VAL 14 N 0.05 1.23 0.14 2.25 2.07 0.49 0.43 116.25 122.91 1ozo h VAL 14 Ca -0.08 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1ozo h VAL 14 Cb 1.88 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1ozo h VAL 14 CO 0.17 0.35 -0.07 0.15 0.02 0.00 0.00 177.57 178.20 1ozo h PHE 15 N 0.00 -0.18 0.00 1.57 3.04 -1.36 -3.17 116.94 116.84 1ozo h PHE 15 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1ozo h PHE 15 Cb 0.65 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.22 1ozo h PHE 15 CO 0.00 0.05 0.00 0.43 -2.02 0.00 0.00 178.31 176.77 1ozo n SER 16 N -5.08 0.00 -0.05 0.41 7.64 0.59 -0.24 113.62 116.89 1ozo n SER 16 Ca -0.09 -0.65 -0.08 0.00 1.01 0.00 0.00 58.87 59.06 1ozo n SER 16 Cb 0.17 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.00 -0.03 0.02 1.43 -0.00 -0.14 -3.14 114.38 112.52 1ozo h ARG 17 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.98 59.20 1ozo h ARG 17 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 29.94 1ozo h ARG 17 CO 0.00 0.49 -1.52 0.66 0.00 0.00 0.00 179.97 179.59 1ozo n TYR 18 N -4.72 0.93 -0.32 3.04 4.01 -0.36 -3.55 117.16 116.19 1ozo n TYR 18 Ca -0.06 0.36 -0.04 0.00 -0.16 0.00 0.00 57.90 58.01 1ozo n TYR 18 Cb 0.25 -1.10 0.08 0.00 -0.31 0.00 0.00 39.34 38.27 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 -0.84 1.02 0.00 7.72 0.87 -0.86 -3.46 113.55 117.99 1ozo h SER 19 Ca -0.40 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1ozo h SER 19 Cb 1.45 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1ozo h SER 19 CO -0.19 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 177.47 1ozo n GLY 20 N -1.30 0.69 0.00 5.77 0.00 -1.18 -3.59 105.19 105.58 1ozo n GLY 20 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.79 1.61 7.64 -1.22 -4.77 113.62 112.09 1ozo n SER 21 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1ozo n SER 21 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 4.23 -0.51 1.43 0.41 -1.24 -5.02 118.70 118.00 1ozo s GLU 22 Ca 0.00 1.33 0.04 0.00 -0.41 0.00 0.00 54.97 55.93 1ozo s GLU 22 Cb 0.00 -2.43 0.16 0.00 -1.78 0.00 0.00 34.13 30.08 1ozo s GLU 22 CO 0.00 -0.06 0.37 0.20 -0.49 0.00 0.00 175.26 175.29 1ozo s GLY 23 N -1.82 1.85 0.00 -1.39 0.00 -1.26 -1.85 107.32 102.86 1ozo s GLY 23 Ca 0.59 -2.93 0.00 0.00 0.00 0.00 0.00 44.72 42.38 1ozo s GLY 23 CO 0.21 1.68 0.00 -1.26 0.00 0.00 0.00 173.10 173.73 1ozo n SER 24 N 2.68 0.00 0.02 1.64 2.88 -1.26 -4.90 113.62 114.68 1ozo n SER 24 Ca 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1ozo n SER 24 Cb 0.41 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.14 0.00 -3.44 2.46 -2.24 -1.26 -4.89 114.28 103.77 1ozo n THR 25 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 1ozo n THR 25 Cb 0.00 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 1ozo n THR 25 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ozo s GLN 26 N -2.00 3.33 0.00 -0.78 -0.21 -1.26 -4.27 119.66 114.47 1ozo s GLN 26 Ca 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 55.36 52.86 1ozo s GLN 26 Cb 0.00 -4.23 0.00 0.00 1.00 0.00 0.00 33.01 29.78 1ozo s GLN 26 CO 0.00 -1.26 0.00 0.25 -2.12 0.00 0.00 175.29 172.16 1ozo n THR 27 N 3.77 0.00 -1.82 -0.19 -2.24 -0.77 -4.03 114.28 109.00 1ozo n THR 27 Ca 0.13 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.49 1ozo n THR 27 Cb 0.44 0.00 -0.02 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 -0.24 5.55 -4.56 3.22 4.32 -0.29 -4.76 117.00 120.25 1ozo n LEU 28 Ca 0.00 -3.75 -0.39 0.00 -0.02 0.00 0.00 56.01 51.86 1ozo n LEU 28 Cb 0.00 -1.57 0.04 0.00 -1.62 0.00 0.00 43.42 40.27 1ozo n LEU 28 CO 0.00 0.35 0.37 1.07 -1.22 0.00 0.00 177.39 177.96 1ozo n THR 29 N 5.80 2.93 -0.20 -5.08 5.66 -1.26 -2.89 114.28 119.24 1ozo n THR 29 Ca 0.50 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 61.18 1ozo n THR 29 Cb 0.41 -0.97 0.32 0.00 -1.55 0.00 0.00 70.33 68.55 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 -0.43 -0.04 0.03 1.09 4.81 -1.26 -0.69 118.16 121.67 1ozo n LYS 30 Ca 0.12 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1ozo n LYS 30 Cb 0.46 -1.49 -0.08 0.00 0.02 0.00 0.00 35.03 33.94 1ozo n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ozo n GLY 31 N -1.18 -1.20 0.16 3.14 0.00 -1.26 -3.65 105.19 101.19 1ozo n GLY 31 Ca 0.21 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1ozo n GLY 31 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ozo h GLU 32 N 0.00 0.47 -0.79 1.61 4.57 -1.23 -3.35 114.58 115.87 1ozo h GLU 32 Ca -0.16 -0.42 0.17 0.00 -1.18 0.00 0.00 59.36 57.77 1ozo h GLU 32 Cb 1.57 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 30.15 1ozo h GLU 32 CO 0.04 1.06 0.27 1.25 -1.18 0.00 0.00 179.01 180.45 1ozo h LEU 33 N 0.03 0.18 -0.54 1.64 6.46 -1.05 -3.18 115.31 118.84 1ozo h LEU 33 Ca -0.05 0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.70 1ozo h LEU 33 Cb 1.19 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1ozo h LEU 33 CO 0.11 0.02 -0.41 0.07 -0.62 0.00 0.00 178.44 177.61 1ozo h LYS 34 N 0.36 0.73 -0.15 1.25 2.10 -1.69 -2.77 116.57 116.40 1ozo h LYS 34 Ca 0.45 -0.39 -0.02 0.00 -2.00 0.00 0.00 60.65 58.70 1ozo h LYS 34 Cb 0.77 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 1ozo h LYS 34 CO -0.48 1.01 0.03 0.28 -2.00 0.00 0.00 179.45 178.28 1ozo h VAL 35 N 0.60 1.22 -0.95 0.07 2.07 -1.76 -1.53 116.25 115.97 1ozo h VAL 35 Ca 0.05 -0.70 0.28 0.00 0.82 0.00 0.00 66.70 67.15 1ozo h VAL 35 Cb 0.95 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1ozo h VAL 35 CO 0.09 0.21 0.70 0.25 0.02 0.00 0.00 177.57 178.84 1ozo h LEU 36 N 0.03 0.00 0.00 2.57 5.85 -1.64 -1.77 115.31 120.36 1ozo h LEU 36 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ozo h LEU 36 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1ozo h LEU 36 CO 0.00 0.00 -0.45 0.24 -0.34 0.00 0.00 178.44 177.89 1ozo h MET 37 N 0.00 0.00 -0.18 1.25 2.86 -0.98 0.18 114.93 118.05 1ozo h MET 37 Ca 0.45 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.04 1ozo h MET 37 Cb 1.85 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.49 1ozo h MET 37 CO -0.00 0.00 -0.10 0.93 1.06 0.00 0.00 176.91 178.80 1ozo h GLU 38 N 0.00 0.28 0.00 1.72 5.08 -1.15 -2.53 114.58 117.98 1ozo h GLU 38 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ozo h GLU 38 Cb 0.82 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ozo h GLU 38 CO 0.00 0.39 -0.37 0.87 -1.00 0.00 0.00 179.01 178.90 1ozo h LYS 39 N 0.27 0.00 0.16 2.33 1.79 -1.48 -3.38 116.57 116.26 1ozo h LYS 39 Ca 0.06 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.19 1ozo h LYS 39 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1ozo h LYS 39 CO 0.02 0.08 -1.73 0.93 -1.08 0.00 0.00 179.45 177.67 1ozo h GLU 40 N -1.00 0.34 -1.21 3.15 5.08 -0.79 -3.41 114.58 116.73 1ozo h GLU 40 Ca -0.02 -0.58 -0.51 0.00 -1.00 0.00 0.00 59.36 57.26 1ozo h GLU 40 Cb 0.40 0.21 -0.42 0.00 0.50 0.00 0.00 28.75 29.45 1ozo h GLU 40 CO -0.01 1.28 -0.88 1.28 -1.00 0.00 0.00 179.01 179.68 1ozo n LEU 41 N -3.65 3.81 -0.40 1.33 4.32 -1.06 -4.99 117.00 116.35 1ozo n LEU 41 Ca -0.26 -4.66 0.35 0.00 -0.02 0.00 0.00 56.01 51.41 1ozo n LEU 41 Cb 1.03 -0.18 0.62 0.00 -1.62 0.00 0.00 43.42 43.27 1ozo n LEU 41 CO 0.47 1.99 1.17 -0.65 -1.22 0.00 0.00 177.39 179.15 1ozo h PRO 42 N 2.61 0.07 0.00 3.23 0.11 -1.65 0.14 132.00 136.52 1ozo h PRO 42 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ozo h PRO 42 Cb 1.10 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ozo h PRO 42 CO 0.71 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 1ozo n GLY 43 N -1.42 -1.56 0.19 -0.55 0.00 -1.26 -2.14 105.19 98.45 1ozo n GLY 43 Ca 0.37 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.61 -3.18 116.94 113.76 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 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1ozo h PHE 44 CO 0.00 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 177.98 1ozo n LEU 45 N -2.63 0.00 0.17 1.54 4.77 -0.91 -1.04 117.00 118.91 1ozo n LEU 45 Ca 0.02 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.17 1ozo n LEU 45 Cb 0.30 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.18 1ozo n LEU 45 CO 0.25 0.00 1.15 1.56 -1.33 0.00 0.00 177.39 179.02 1ozo h GLN 46 N 0.00 0.00 0.00 3.23 1.08 -1.75 -3.00 115.11 114.67 1ozo h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ozo h GLN 46 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1ozo h GLN 46 CO 0.00 0.00 0.00 0.43 -0.95 0.00 0.00 178.83 178.31 1ozo n SER 47 N -3.91 0.00 0.00 1.46 7.64 -0.21 -4.97 113.62 113.63 1ozo n SER 47 Ca 0.03 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1ozo n SER 47 Cb 0.37 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.03 0.04 2.71 0.23 0.00 -1.13 -4.88 105.19 104.18 1ozo n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.25 0.74 0.00 1.61 2.20 -1.26 -4.99 119.74 116.79 1ozo s LYS 49 Ca 0.00 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.44 1ozo s LYS 49 Cb 0.00 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1ozo s LYS 49 CO 0.00 -1.02 0.00 -0.40 -0.36 0.00 0.00 175.35 173.57 1ozo n ASP 50 N 4.68 0.00 -0.00 1.43 5.75 -1.21 -1.13 116.55 126.06 1ozo n ASP 50 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 1ozo n ASP 50 Cb 0.41 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.10 1.54 0.00 0.11 4.01 -1.26 -4.44 118.16 118.03 1ozo n LYS 51 Ca 0.00 -0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1ozo n LYS 51 Cb 0.00 -1.25 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 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 -1.60 0.00 -2.48 4.39 5.68 -0.29 -5.04 116.55 117.22 1ozo n ASP 52 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1ozo n ASP 52 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1ozo n ASP 52 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ozo n ALA 53 N -3.00 0.00 0.00 2.12 0.00 -1.25 -4.00 120.51 114.38 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 -0.83 0.00 -0.22 0.00 0.31 -1.26 -3.34 118.33 112.99 1ozo n VAL 54 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.55 1ozo n VAL 54 Cb 0.00 0.00 0.57 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.30 0.21 4.52 3.58 -1.78 -0.59 116.42 122.65 1ozo h ASP 55 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1ozo h ASP 55 Cb 0.00 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1ozo h ASP 55 CO 0.00 0.11 -0.20 0.29 -2.88 0.00 0.00 179.24 176.56 1ozo n LYS 56 N -4.45 0.96 0.00 0.28 4.76 -1.26 -0.53 118.16 117.93 1ozo n LYS 56 Ca 0.19 -0.55 0.13 0.00 -2.87 0.00 0.00 58.31 55.21 1ozo n LYS 56 Cb 0.77 -1.49 0.36 0.00 -1.84 0.00 0.00 35.03 32.83 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 -0.54 1.45 0.00 -0.35 7.99 -0.29 -3.83 117.00 121.43 1ozo n LEU 57 Ca 0.14 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 1ozo n LEU 57 Cb 0.34 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1ozo n LEU 57 CO 0.24 0.26 0.00 -0.11 -1.51 0.00 0.00 177.39 176.27 1ozo n LEU 58 N -0.15 0.51 -0.33 2.23 0.00 -0.85 -4.70 117.00 113.73 1ozo n LEU 58 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.11 1ozo n LEU 58 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.80 1ozo n LEU 58 CO 0.22 0.00 0.57 0.11 0.00 0.00 0.00 177.39 178.29 1ozo h LYS 59 N 0.00 -0.07 -0.87 1.96 1.57 -1.00 0.18 116.57 118.34 1ozo h LYS 59 Ca 0.00 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.98 1ozo h LYS 59 Cb 0.00 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.21 1ozo h LYS 59 CO 0.00 -0.05 0.39 -0.44 -0.57 0.00 0.00 179.45 178.79 1ozo h ASP 60 N -0.07 0.37 0.11 0.86 5.19 -1.82 -0.90 116.42 120.16 1ozo h ASP 60 Ca 0.27 0.13 -0.37 0.00 -0.62 0.00 0.00 57.03 56.44 1ozo h ASP 60 Cb 0.55 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1ozo h ASP 60 CO -0.88 0.07 -2.04 0.00 -3.12 0.00 0.00 179.24 173.28 1ozo n LEU 61 N -5.00 2.66 0.00 1.55 -0.00 -0.35 -4.14 117.00 111.72 1ozo n LEU 61 Ca 0.20 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 1ozo n LEU 61 Cb 0.57 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1ozo n LEU 61 CO 0.15 0.85 0.43 0.47 -0.00 0.00 0.00 177.39 179.30 1ozo n ASP 62 N -3.49 0.00 0.13 1.45 8.00 0.48 -1.40 116.55 121.73 1ozo n ASP 62 Ca -0.34 0.36 0.19 0.00 0.71 0.00 0.00 54.79 55.71 1ozo n ASP 62 Cb 1.03 -0.36 0.65 0.00 -0.02 0.00 0.00 41.12 42.42 1ozo n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ozo h ALA 63 N 1.98 2.03 0.00 2.24 0.00 -1.33 0.28 119.26 124.46 1ozo h ALA 63 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ozo h ALA 63 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ozo h ALA 63 CO 0.00 -0.77 -0.08 -0.97 0.00 0.00 0.00 179.25 177.42 1ozo h ASN 64 N 0.00 0.00 0.00 0.00 -1.24 -1.55 -3.46 115.58 109.33 1ozo h ASN 64 Ca 0.17 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1ozo h ASN 64 Cb 1.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.39 1ozo h ASN 64 CO -0.00 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 1ozo n GLY 65 N 1.20 1.19 0.00 1.57 0.00 0.91 -5.09 105.19 104.97 1ozo n GLY 65 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 -1.58 1.61 2.03 -0.78 -5.01 116.55 112.82 1ozo n ASP 66 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 1ozo n ASP 66 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 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 -3.00 2.54 -3.50 -1.67 0.00 -1.26 -4.65 120.51 108.96 1ozo n ALA 67 Ca 0.00 -2.19 -0.26 0.00 0.00 0.00 0.00 53.44 50.99 1ozo n ALA 67 Cb 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.34 0.25 -0.10 0.00 -0.21 -1.26 -4.51 119.66 113.49 1ozo s GLN 68 Ca 0.29 -0.50 -0.29 0.00 0.02 0.00 0.00 55.36 54.88 1ozo s GLN 68 Cb 0.34 -1.05 -0.05 0.00 1.00 0.00 0.00 33.01 33.25 1ozo s GLN 68 CO -0.14 -1.04 1.71 0.08 -2.12 0.00 0.00 175.29 173.79 1ozo s VAL 69 N 2.08 3.52 0.81 1.09 1.01 -1.14 -4.77 120.40 123.00 1ozo s VAL 69 Ca 0.10 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 1ozo s VAL 69 Cb -0.16 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.85 1ozo s VAL 69 CO -0.33 -0.11 1.12 -0.62 0.00 0.00 0.00 175.10 175.15 1ozo s ASP 70 N 4.01 4.46 0.40 3.32 2.15 -1.26 -1.14 116.67 128.61 1ozo s ASP 70 Ca 0.76 1.10 0.07 0.00 0.43 0.00 0.00 52.55 54.91 1ozo s ASP 70 Cb -0.32 -1.77 0.81 0.00 -0.30 0.00 0.00 42.92 41.34 1ozo s ASP 70 CO 0.31 -1.97 2.02 2.19 -0.17 0.00 0.00 175.17 177.56 1ozo h PHE 71 N -1.09 0.51 0.63 -5.34 -5.15 -1.96 -0.79 116.94 103.75 1ozo h PHE 71 Ca -0.47 -0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.27 1ozo h PHE 71 Cb 1.29 -0.17 0.01 0.00 0.22 0.00 0.00 35.95 37.30 1ozo h PHE 71 CO 0.41 0.36 -0.30 0.66 -2.00 0.00 0.00 178.31 177.44 1ozo h SER 72 N 0.54 -0.72 -0.48 -0.68 4.64 -1.99 0.12 113.55 114.99 1ozo h SER 72 Ca 0.14 -0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.54 1ozo h SER 72 Cb 0.02 0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 62.20 1ozo h SER 72 CO -0.02 -0.41 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.00 1ozo h GLU 73 N -1.01 -0.09 0.00 4.77 5.08 -1.85 0.19 114.58 121.68 1ozo h GLU 73 Ca -0.09 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ozo h GLU 73 Cb 0.69 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1ozo h GLU 73 CO 0.14 -0.06 -0.14 0.35 -1.00 0.00 0.00 179.01 178.31 1ozo h PHE 74 N -0.09 -0.40 -0.85 4.33 3.57 -1.15 -2.66 116.94 119.70 1ozo h PHE 74 Ca 0.23 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1ozo h PHE 74 Cb 0.44 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1ozo h PHE 74 CO -0.47 -0.15 0.56 0.97 -2.23 0.00 0.00 178.31 177.00 1ozo h ILE 75 N -0.17 1.17 0.32 1.41 6.09 0.15 0.18 117.51 126.66 1ozo h ILE 75 Ca 0.00 -0.38 -0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1ozo h ILE 75 Cb 0.18 -0.02 -0.02 0.00 0.47 0.00 0.00 36.82 37.43 1ozo h ILE 75 CO -0.09 0.20 -0.31 0.58 -3.07 0.00 0.00 178.15 175.46 1ozo h VAL 76 N 1.09 0.35 0.00 2.19 2.07 -1.04 -2.46 116.25 118.45 1ozo h VAL 76 Ca 0.33 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.72 1ozo h VAL 76 Cb -0.04 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1ozo h VAL 76 CO -0.09 0.00 -0.60 -0.26 0.02 0.00 0.00 177.57 176.65 1ozo h PHE 77 N -0.66 0.00 -0.72 1.57 -1.00 -1.04 -2.97 116.94 112.11 1ozo h PHE 77 Ca -0.02 0.00 0.15 0.00 2.81 0.00 0.00 57.97 60.91 1ozo h PHE 77 Cb 0.60 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.06 1ozo h PHE 77 CO -0.18 0.60 0.22 0.28 -1.61 0.00 0.00 178.31 177.62 1ozo h VAL 78 N 0.00 0.59 0.00 -0.55 2.07 -0.58 0.27 116.25 118.05 1ozo h VAL 78 Ca -0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1ozo h VAL 78 Cb 1.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1ozo h VAL 78 CO 0.08 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1ozo n ALA 79 N -2.58 2.03 -0.04 1.67 0.00 -0.93 -1.10 120.51 119.55 1ozo n ALA 79 Ca 0.13 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1ozo n ALA 79 Cb 0.42 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.14 1.29 -0.29 0.00 0.00 0.67 -4.49 120.51 116.54 1ozo n ALA 80 Ca 0.10 -0.85 0.02 0.00 0.00 0.00 0.00 53.44 52.71 1ozo n ALA 80 Cb 0.10 -0.58 0.15 0.00 0.00 0.00 0.00 19.45 19.11 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 0.02 0.96 0.00 0.00 1.08 0.87 0.92 117.51 121.37 1ozo h ILE 81 Ca -0.41 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1ozo h ILE 81 Cb 2.04 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1ozo h ILE 81 CO 0.05 0.15 0.08 1.07 -0.69 0.00 0.00 178.15 178.81 1ozo n THR 82 N -4.71 1.57 -0.09 -0.27 5.66 -0.68 -0.50 114.28 115.26 1ozo n THR 82 Ca 0.13 0.54 -0.20 0.00 -3.05 0.00 0.00 64.05 61.47 1ozo n THR 82 Cb 0.23 -1.54 -0.07 0.00 -1.55 0.00 0.00 70.33 67.40 1ozo n THR 82 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ozo n SER 83 N -1.57 1.40 -0.12 1.09 7.64 -0.10 -4.41 113.62 117.55 1ozo n SER 83 Ca -0.00 0.21 -0.05 0.00 1.01 0.00 0.00 58.87 60.04 1ozo n SER 83 Cb 0.08 -0.54 0.02 0.00 -1.01 0.00 0.00 64.21 62.76 1ozo n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ozo h ALA 84 N -0.64 0.28 0.00 -0.43 0.00 -0.52 -2.16 119.26 115.80 1ozo h ALA 84 Ca -0.47 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ozo h ALA 84 Cb 1.43 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1ozo h ALA 84 CO -0.28 -0.45 0.00 0.43 0.00 0.00 0.00 179.25 178.96 1ozo n SER 85 N -5.30 0.00 -0.25 0.00 7.64 0.34 -3.27 113.62 112.78 1ozo n SER 85 Ca 0.02 0.08 0.03 0.00 1.01 0.00 0.00 58.87 60.01 1ozo n SER 85 Cb 0.22 -0.33 0.03 0.00 -1.01 0.00 0.00 64.21 63.13 1ozo n SER 85 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ozo n HIS 86 N -1.33 0.05 0.93 1.43 -0.00 -0.81 -2.61 115.22 112.88 1ozo n HIS 86 Ca 0.10 -0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ozo n HIS 86 Cb 0.20 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 1ozo n HIS 86 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1ozo n LYS 87 N 0.27 0.50 0.00 1.57 5.02 -1.25 -4.58 118.16 119.69 1ozo n LYS 87 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1ozo n LYS 87 Cb 0.18 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.39 0.00 -1.09 2.13 4.01 -1.26 -4.67 117.16 115.88 1ozo n TYR 88 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ozo n TYR 88 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1ozo n TYR 88 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ozo n PHE 89 N 0.00 -3.01 0.00 -0.72 7.35 -1.07 -4.63 117.46 115.38 1ozo n PHE 89 Ca 0.00 1.61 0.00 0.00 -0.76 0.00 0.00 57.45 58.30 1ozo n PHE 89 Cb 0.00 -2.70 0.00 0.00 0.35 0.00 0.00 39.48 37.13 1ozo n PHE 89 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ozo n GLU 90 N -1.41 0.00 -0.12 -4.13 4.07 -1.26 -3.37 120.64 114.42 1ozo n GLU 90 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1ozo n GLU 90 Cb 0.12 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.53 1ozo n GLU 90 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1ozo n LYS 91 N 0.00 -0.05 -3.17 5.31 0.00 -1.26 -0.93 118.16 118.05 1ozo n LYS 91 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 58.31 58.58 1ozo n LYS 91 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 35.03 34.25 1ozo n LYS 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1ozo n THR 92 N -4.49 0.57 -1.63 3.15 -1.04 -1.22 -4.74 114.28 104.89 1ozo n THR 92 Ca 0.04 -4.68 -0.40 0.00 -2.04 0.00 0.00 64.05 56.96 1ozo n THR 92 Cb 0.14 -1.15 -0.01 0.00 -1.82 0.00 0.00 70.33 67.48 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ozo n GLY 93 N 0.56 4.47 0.00 3.41 0.00 -0.11 -3.16 105.19 110.36 1ozo n GLY 93 Ca 0.26 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 4.25 0.00 0.00 0.99 7.94 -1.20 -2.97 117.00 126.01 1ozo n LEU 94 Ca 0.64 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.62 1ozo n LEU 94 Cb 0.30 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.72 1ozo n LEU 94 CO 0.85 0.00 0.68 0.29 -1.11 0.00 0.00 177.39 178.10