#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 0.04 1.12 -2.24 -1.26 -4.89 114.28 107.05 1ozo n THR 2 Ca 0.00 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1ozo n THR 2 Cb 0.00 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 1ozo n THR 2 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ozo h GLU 3 N 0.00 -0.19 0.21 -0.78 4.81 -2.05 0.33 114.58 116.91 1ozo h GLU 3 Ca -0.13 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1ozo h GLU 3 Cb 0.52 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1ozo h GLU 3 CO 0.17 -0.12 -0.37 1.25 -0.73 0.00 0.00 179.01 179.20 1ozo h LEU 4 N -0.19 -1.06 -0.37 1.64 5.85 -2.00 -2.53 115.31 116.65 1ozo h LEU 4 Ca 0.05 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1ozo h LEU 4 Cb 0.26 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1ozo h LEU 4 CO -0.14 -0.48 -0.34 -0.33 -0.34 0.00 0.00 178.44 176.81 1ozo h GLU 5 N -0.67 0.00 -0.16 1.25 5.08 -1.90 -1.98 114.58 116.20 1ozo h GLU 5 Ca 0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1ozo h GLU 5 Cb 0.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1ozo h GLU 5 CO -0.16 0.34 -0.76 0.00 -1.00 0.00 0.00 179.01 177.43 1ozo h ALA 6 N 1.66 0.35 -0.55 3.43 0.00 -0.35 0.33 119.26 124.12 1ozo h ALA 6 Ca -0.00 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1ozo h ALA 6 Cb 1.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1ozo h ALA 6 CO 0.04 0.69 0.32 0.00 0.00 0.00 0.00 179.25 180.30 1ozo h ALA 7 N 0.60 0.71 0.00 0.00 0.00 -1.35 -1.50 119.26 117.72 1ozo h ALA 7 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ozo h ALA 7 Cb 1.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ozo h ALA 7 CO 0.16 0.02 -0.23 0.52 0.00 0.00 0.00 179.25 179.71 1ozo h MET 8 N 0.62 0.00 -1.00 0.00 2.07 -1.24 0.55 114.93 115.93 1ozo h MET 8 Ca 0.23 0.00 0.27 0.00 -2.07 0.00 0.00 59.70 58.13 1ozo h MET 8 Cb 0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.73 1ozo h MET 8 CO -0.12 0.23 0.68 0.78 1.07 0.00 0.00 176.91 179.56 1ozo h GLY 9 N 0.73 0.57 1.28 8.32 0.00 0.64 0.22 103.07 114.83 1ozo h GLY 9 Ca -0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 1ozo h GLY 9 CO 0.03 -0.04 -1.00 -0.33 0.00 0.00 0.00 176.54 175.20 1ozo h MET 10 N 0.21 0.65 0.00 4.80 2.86 -0.12 0.23 114.93 123.56 1ozo h MET 10 Ca 0.51 -0.68 -0.23 0.00 -2.06 0.00 0.00 59.70 57.24 1ozo h MET 10 Cb 1.64 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 33.45 1ozo h MET 10 CO -0.13 1.28 -1.17 -0.84 1.06 0.00 0.00 176.91 177.10 1ozo h ILE 11 N 0.38 1.50 -0.06 -1.22 -2.65 -1.27 0.11 117.51 114.29 1ozo h ILE 11 Ca -0.11 -3.25 -0.11 0.00 1.03 0.00 0.00 64.86 62.42 1ozo h ILE 11 Cb 1.65 2.74 -0.01 0.00 -2.05 0.00 0.00 36.82 39.15 1ozo h ILE 11 CO 0.19 0.86 -0.47 0.40 0.03 0.00 0.00 178.15 179.16 1ozo h ILE 12 N 0.00 1.34 0.79 0.16 2.04 -0.70 -2.10 117.51 119.05 1ozo h ILE 12 Ca -0.08 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.10 1ozo h ILE 12 Cb 1.83 1.81 0.01 0.00 -0.74 0.00 0.00 36.82 39.73 1ozo h ILE 12 CO 0.12 0.48 -0.40 -0.78 0.00 0.00 0.00 178.15 177.57 1ozo h ASP 13 N 0.12 -0.97 -0.96 1.72 3.58 -0.41 0.22 116.42 119.72 1ozo h ASP 13 Ca 0.01 0.04 0.28 0.00 0.42 0.00 0.00 57.03 57.78 1ozo h ASP 13 Cb 0.87 0.26 -0.14 0.00 1.72 0.00 0.00 39.33 42.04 1ozo h ASP 13 CO 0.07 -0.67 0.46 0.58 -2.88 0.00 0.00 179.24 176.79 1ozo h VAL 14 N -1.09 0.33 0.32 2.25 2.07 -0.74 0.27 116.25 119.66 1ozo h VAL 14 Ca -0.11 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1ozo h VAL 14 Cb 0.85 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1ozo h VAL 14 CO 0.16 0.06 -0.16 0.15 0.02 0.00 0.00 177.57 177.81 1ozo h PHE 15 N 0.31 -0.40 0.00 1.57 3.57 -1.29 -1.91 116.94 118.79 1ozo h PHE 15 Ca 0.66 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.15 1ozo h PHE 15 Cb 1.43 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.30 1ozo h PHE 15 CO -0.10 -0.07 0.00 0.43 -2.23 0.00 0.00 178.31 176.34 1ozo n SER 16 N -5.14 0.00 -0.04 0.41 7.64 0.77 -0.01 113.62 117.26 1ozo n SER 16 Ca -0.10 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.72 1ozo n SER 16 Cb 0.27 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.96 0.17 -0.03 1.43 0.63 0.62 -2.95 116.66 115.57 1ozo n ARG 17 Ca 0.00 0.05 -0.22 0.00 -0.92 0.00 0.00 57.85 56.77 1ozo n ARG 17 Cb 0.00 -1.00 -0.13 0.00 0.45 0.00 0.00 32.46 31.78 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 -2.94 1.08 0.17 -0.14 4.01 -0.72 -3.63 117.16 114.99 1ozo n TYR 18 Ca -0.13 0.27 0.03 0.00 -0.16 0.00 0.00 57.90 57.92 1ozo n TYR 18 Cb 0.62 -1.13 0.42 0.00 -0.31 0.00 0.00 39.34 38.94 1ozo n TYR 18 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ozo h SER 19 N -0.19 0.10 0.00 7.72 4.64 -0.64 -3.48 113.55 121.70 1ozo h SER 19 Ca -0.43 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ozo h SER 19 Cb 1.86 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1ozo h SER 19 CO -0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 1ozo n GLY 20 N -0.85 0.86 0.00 -0.77 0.00 -1.14 -2.92 105.19 100.37 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 -0.01 0.00 -4.89 1.61 7.64 -1.15 -4.71 113.62 112.11 1ozo n SER 21 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1ozo n SER 21 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 3.74 -0.51 1.43 0.41 -1.15 -4.99 118.70 117.62 1ozo s GLU 22 Ca 0.00 0.22 0.04 0.00 -0.41 0.00 0.00 54.97 54.82 1ozo s GLU 22 Cb 0.00 -2.59 0.17 0.00 -1.78 0.00 0.00 34.13 29.93 1ozo s GLU 22 CO 0.00 0.20 0.38 0.20 -0.49 0.00 0.00 175.26 175.55 1ozo s GLY 23 N -2.84 1.83 0.00 -1.39 0.00 -1.26 -1.60 107.32 102.06 1ozo s GLY 23 Ca 0.47 -2.92 0.00 0.00 0.00 0.00 0.00 44.72 42.27 1ozo s GLY 23 CO 0.27 1.71 0.00 -1.26 0.00 0.00 0.00 173.10 173.81 1ozo n SER 24 N 2.65 0.00 -0.38 1.64 2.88 -1.26 -4.87 113.62 114.28 1ozo n SER 24 Ca 0.24 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.85 1ozo n SER 24 Cb 0.42 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.88 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 -3.15 2.46 5.66 -1.26 -4.72 114.28 113.27 1ozo n THR 25 Ca 0.00 -0.37 -0.21 0.00 -3.05 0.00 0.00 64.05 60.43 1ozo n THR 25 Cb 0.00 1.20 -0.05 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.01 0.80 0.00 1.09 6.02 -1.26 -4.66 117.38 119.36 1ozo n GLN 26 Ca 0.07 -3.15 0.00 0.00 -0.01 0.00 0.00 57.00 53.90 1ozo n GLN 26 Cb 0.32 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.21 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 1.05 0.00 -1.54 5.09 -2.24 -0.63 -3.64 114.28 112.36 1ozo n THR 27 Ca 0.21 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.60 1ozo n THR 27 Cb 0.58 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.14 4.01 -4.57 3.22 4.32 0.10 -4.73 117.00 119.48 1ozo n LEU 28 Ca 0.00 -3.12 -0.40 0.00 -0.02 0.00 0.00 56.01 52.48 1ozo n LEU 28 Cb 0.00 -1.37 0.03 0.00 -1.62 0.00 0.00 43.42 40.46 1ozo n LEU 28 CO 0.00 -0.68 0.42 1.07 -1.22 0.00 0.00 177.39 176.98 1ozo n THR 29 N 6.51 2.74 -0.33 -5.08 5.66 -1.26 -2.36 114.28 120.16 1ozo n THR 29 Ca 0.48 -0.50 0.29 0.00 -3.05 0.00 0.00 64.05 61.28 1ozo n THR 29 Cb 0.42 -1.00 0.51 0.00 -1.55 0.00 0.00 70.33 68.71 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 -0.22 -0.03 0.09 1.09 4.81 -1.26 -0.57 118.16 122.07 1ozo n LYS 30 Ca 0.11 1.01 -0.02 0.00 -0.87 0.00 0.00 58.31 58.55 1ozo n LYS 30 Cb 0.43 -1.93 -0.04 0.00 0.02 0.00 0.00 35.03 33.51 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 0.00 0.06 3.14 0.00 -1.96 -3.28 103.07 101.03 1ozo h GLY 31 Ca 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.01 1ozo h GLY 31 CO -0.44 0.00 -0.01 -2.09 0.00 0.00 0.00 176.54 174.00 1ozo h GLU 32 N 0.00 -0.02 -1.26 4.80 4.57 -1.14 -3.39 114.58 118.13 1ozo h GLU 32 Ca -0.04 0.00 0.38 0.00 -1.18 0.00 0.00 59.36 58.53 1ozo h GLU 32 Cb 1.57 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 30.06 1ozo h GLU 32 CO 0.09 0.69 0.83 1.25 -1.18 0.00 0.00 179.01 180.69 1ozo h LEU 33 N -0.96 0.26 -0.51 1.64 6.46 -1.06 -2.92 115.31 118.22 1ozo h LEU 33 Ca -0.00 0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 1ozo h LEU 33 Cb 0.72 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1ozo h LEU 33 CO 0.00 -0.07 0.01 0.07 -0.62 0.00 0.00 178.44 177.83 1ozo h LYS 34 N 0.16 0.89 -0.10 1.25 2.10 -1.76 -3.18 116.57 115.93 1ozo h LYS 34 Ca 0.73 -0.28 -0.03 0.00 -2.00 0.00 0.00 60.65 59.07 1ozo h LYS 34 Cb 2.30 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 33.54 1ozo h LYS 34 CO -0.32 0.92 -0.05 0.28 -2.00 0.00 0.00 179.45 178.28 1ozo h VAL 35 N 0.75 1.33 -1.91 0.07 2.07 -1.80 -0.43 116.25 116.33 1ozo h VAL 35 Ca 0.14 -1.09 0.56 0.00 0.82 0.00 0.00 66.70 67.13 1ozo h VAL 35 Cb 0.51 1.85 -0.08 0.00 -1.52 0.00 0.00 31.29 32.05 1ozo h VAL 35 CO 0.02 0.31 1.37 -0.11 0.02 0.00 0.00 177.57 179.18 1ozo n LEU 36 N -4.72 0.01 0.07 2.57 7.94 -1.25 -1.58 117.00 120.04 1ozo n LEU 36 Ca -0.07 0.99 0.11 0.00 -1.11 0.00 0.00 56.01 55.94 1ozo n LEU 36 Cb 0.28 -0.49 -0.00 0.00 0.53 0.00 0.00 43.42 43.73 1ozo n LEU 36 CO 0.36 -1.00 -0.06 0.23 -1.11 0.00 0.00 177.39 175.82 1ozo n MET 37 N -3.91 0.51 0.12 1.96 2.81 -0.18 0.05 117.12 118.48 1ozo n MET 37 Ca 0.43 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.37 1ozo n MET 37 Cb 1.95 -1.72 0.30 0.00 -0.71 0.00 0.00 33.22 33.04 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 0.18 0.00 0.03 5.08 -1.20 -1.49 114.58 117.19 1ozo h GLU 38 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ozo h GLU 38 Cb 0.92 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1ozo h GLU 38 CO 0.00 0.50 -0.29 0.87 -1.00 0.00 0.00 179.01 179.09 1ozo h LYS 39 N 0.16 0.00 0.00 2.33 1.79 -1.54 -3.38 116.57 115.93 1ozo h LYS 39 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1ozo h LYS 39 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1ozo h LYS 39 CO 0.05 0.00 -0.53 0.39 -1.08 0.00 0.00 179.45 178.28 1ozo n GLU 40 N -3.65 3.65 -1.65 3.15 -0.58 0.11 -4.45 120.64 117.23 1ozo n GLU 40 Ca -0.04 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.60 1ozo n GLU 40 Cb 0.15 -0.95 0.08 0.00 -0.57 0.00 0.00 31.44 30.15 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 -1.28 3.50 -4.66 -4.62 4.32 -1.15 -4.97 117.00 108.13 1ozo n LEU 41 Ca 0.01 -4.05 -0.40 0.00 -0.02 0.00 0.00 56.01 51.56 1ozo n LEU 41 Cb 0.15 -0.26 0.03 0.00 -1.62 0.00 0.00 43.42 41.71 1ozo n LEU 41 CO 0.18 1.63 0.74 -0.81 -1.22 0.00 0.00 177.39 177.90 1ozo n PRO 42 N -0.72 1.46 0.00 3.23 -0.04 -0.56 -2.19 135.00 136.17 1ozo n PRO 42 Ca 0.28 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1ozo n PRO 42 Cb 0.88 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 1.02 2.70 0.32 0.55 0.00 -1.26 -4.80 105.19 103.73 1ozo n GLY 43 Ca 0.10 -0.52 0.20 0.00 0.00 0.00 0.00 46.02 45.79 1ozo n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ozo h PHE 44 N 0.00 0.00 0.00 1.61 -1.00 -1.77 -1.98 116.94 113.80 1ozo h PHE 44 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ozo h PHE 44 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ozo h PHE 44 CO 0.00 0.01 0.00 1.28 -1.61 0.00 0.00 178.31 177.99 1ozo n LEU 45 N -3.31 0.00 0.21 1.54 4.77 -1.26 -2.18 117.00 116.78 1ozo n LEU 45 Ca -0.03 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1ozo n LEU 45 Cb 0.11 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.88 1ozo n LEU 45 CO 0.23 0.00 1.10 1.56 -1.33 0.00 0.00 177.39 178.95 1ozo h GLN 46 N 0.00 0.00 0.00 3.23 1.08 -1.75 -3.29 115.11 114.38 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 -0.29 0.45 -0.95 0.00 0.00 178.83 178.04 1ozo n SER 47 N -4.43 0.79 0.00 1.46 2.88 -0.93 -5.02 113.62 108.38 1ozo n SER 47 Ca -0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1ozo n SER 47 Cb 0.20 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1ozo n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ozo n GLY 48 N 1.62 2.89 0.00 0.46 0.00 -1.05 -4.45 105.19 104.67 1ozo n GLY 48 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.99 0.00 -0.33 1.61 0.00 -1.26 -4.77 118.16 111.43 1ozo n LYS 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 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 -0.40 0.00 0.00 0.00 177.40 177.00 1ozo n ASP 50 N -0.29 -0.87 0.00 -5.58 5.68 -1.26 -1.56 116.55 112.67 1ozo n ASP 50 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ozo n ASP 50 Cb 0.00 -1.48 0.00 0.00 -1.14 0.00 0.00 41.12 38.50 1ozo n ASP 50 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1ozo n LYS 51 N -0.22 0.00 -0.08 0.11 0.00 -1.26 -4.78 118.16 111.93 1ozo n LYS 51 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.35 1ozo n LYS 51 Cb 0.07 -2.56 0.05 0.00 0.00 0.00 0.00 35.03 32.60 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ozo n ASP 52 N 0.00 1.68 -4.00 3.14 8.00 -1.14 -4.79 116.55 119.44 1ozo n ASP 52 Ca 0.00 -2.30 -0.18 0.00 0.71 0.00 0.00 54.79 53.02 1ozo n ASP 52 Cb 0.00 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 40.82 1ozo n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ozo s ALA 53 N -1.49 1.87 0.00 2.24 0.00 -0.60 -4.51 121.76 119.26 1ozo s ALA 53 Ca 0.12 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1ozo s ALA 53 Cb 0.11 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.41 1ozo s ALA 53 CO 0.01 -0.52 0.00 0.28 0.00 0.00 0.00 175.76 175.53 1ozo n VAL 54 N -0.55 0.00 -0.41 0.00 0.31 -1.26 -3.97 118.33 112.45 1ozo n VAL 54 Ca 0.01 0.00 0.36 0.00 -0.01 0.00 0.00 64.34 64.71 1ozo n VAL 54 Cb 0.65 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 34.21 1ozo n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ozo n ASP 55 N 0.26 0.25 -0.12 4.52 2.03 -1.26 -1.24 116.55 120.99 1ozo n ASP 55 Ca 0.00 1.44 0.10 0.00 0.52 0.00 0.00 54.79 56.86 1ozo n ASP 55 Cb 0.00 -0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 39.64 1ozo n ASP 55 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ozo n LYS 56 N -4.85 0.29 -0.05 -0.67 4.76 -1.25 0.05 118.16 116.43 1ozo n LYS 56 Ca 0.38 -0.24 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1ozo n LYS 56 Cb 1.43 -1.50 0.44 0.00 -1.84 0.00 0.00 35.03 33.56 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 -1.15 1.22 -0.00 -0.35 7.99 -0.37 -3.74 117.00 120.60 1ozo n LEU 57 Ca 0.06 -0.50 -0.01 0.00 -0.01 0.00 0.00 56.01 55.54 1ozo n LEU 57 Cb 0.36 -0.07 -0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1ozo n LEU 57 CO 0.39 0.25 -0.10 -0.11 -1.51 0.00 0.00 177.39 176.31 1ozo n LEU 58 N 0.01 0.50 -0.23 2.23 0.00 -0.52 -4.75 117.00 114.25 1ozo n LEU 58 Ca 0.16 0.08 0.25 0.00 0.00 0.00 0.00 56.01 56.49 1ozo n LEU 58 Cb 0.26 -0.31 0.62 0.00 0.00 0.00 0.00 43.42 43.99 1ozo n LEU 58 CO 0.13 -0.52 1.25 0.11 0.00 0.00 0.00 177.39 178.35 1ozo h LYS 59 N -0.15 0.19 0.08 1.96 1.79 -0.55 0.17 116.57 120.07 1ozo h LYS 59 Ca 0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1ozo h LYS 59 Cb 0.15 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1ozo h LYS 59 CO 0.00 0.13 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.02 1ozo h ASP 60 N 0.20 -0.09 0.19 0.86 5.19 -1.82 -3.38 116.42 117.57 1ozo h ASP 60 Ca 0.47 -0.01 -0.35 0.00 -0.62 0.00 0.00 57.03 56.52 1ozo h ASP 60 Cb 1.52 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 41.02 1ozo h ASP 60 CO -0.11 -0.05 -1.99 0.00 -3.12 0.00 0.00 179.24 173.97 1ozo n LEU 61 N -5.13 2.20 -0.19 1.55 -0.00 0.32 -4.28 117.00 111.47 1ozo n LEU 61 Ca -0.08 0.22 0.16 0.00 -0.00 0.00 0.00 56.01 56.31 1ozo n LEU 61 Cb 0.08 -0.76 0.27 0.00 -0.00 0.00 0.00 43.42 43.00 1ozo n LEU 61 CO 0.34 0.75 0.48 -0.67 -0.00 0.00 0.00 177.39 178.29 1ozo n ASP 62 N -3.34 0.07 0.05 1.45 -0.08 0.29 -0.49 116.55 114.49 1ozo n ASP 62 Ca -0.30 0.51 0.21 0.00 -1.51 0.00 0.00 54.79 53.70 1ozo n ASP 62 Cb 1.05 -0.25 0.73 0.00 2.34 0.00 0.00 41.12 44.99 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 0.58 2.30 -0.00 -1.67 0.00 -1.76 -1.29 119.26 117.42 1ozo h ALA 63 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ozo h ALA 63 Cb 1.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ozo h ALA 63 CO -0.16 -0.65 -0.18 -1.71 0.00 0.00 0.00 179.25 176.55 1ozo n ASN 64 N -4.04 0.50 0.00 0.00 4.05 0.36 -4.81 115.26 111.32 1ozo n ASN 64 Ca 0.09 -0.44 0.00 0.00 0.45 0.00 0.00 54.58 54.68 1ozo n ASN 64 Cb 0.61 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.57 1ozo n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ozo n GLY 65 N 1.35 0.23 0.53 8.20 0.00 -0.57 -4.84 105.19 110.08 1ozo n GLY 65 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ozo n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ozo n ASP 66 N -0.34 0.00 0.00 1.61 5.75 -0.68 -5.02 116.55 117.87 1ozo n ASP 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ozo n ASP 66 Cb 0.00 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1ozo n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ozo n ALA 67 N -1.76 0.00 -2.83 2.12 0.00 -1.24 -4.80 120.51 112.00 1ozo n ALA 67 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ozo n ALA 67 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 3.42 -0.21 0.00 -0.21 -1.26 -4.56 119.66 116.84 1ozo s GLN 68 Ca 0.00 -1.28 -0.28 0.00 0.02 0.00 0.00 55.36 53.81 1ozo s GLN 68 Cb 0.00 -4.73 -0.05 0.00 1.00 0.00 0.00 33.01 29.23 1ozo s GLN 68 CO 0.00 -1.88 2.07 0.08 -2.12 0.00 0.00 175.29 173.44 1ozo s VAL 69 N 3.66 3.15 0.96 1.09 1.01 -0.99 -4.70 120.40 124.57 1ozo s VAL 69 Ca 0.32 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1ozo s VAL 69 Cb -0.08 -3.18 0.16 0.00 0.00 0.00 0.00 36.38 33.28 1ozo s VAL 69 CO -0.02 -0.10 1.10 -0.62 0.00 0.00 0.00 175.10 175.46 1ozo s ASP 70 N 7.14 3.01 0.39 3.32 2.15 -1.26 -0.72 116.67 130.69 1ozo s ASP 70 Ca 0.93 1.20 0.05 0.00 0.43 0.00 0.00 52.55 55.16 1ozo s ASP 70 Cb -0.32 -1.86 0.77 0.00 -0.30 0.00 0.00 42.92 41.22 1ozo s ASP 70 CO 0.35 -2.89 2.04 2.19 -0.17 0.00 0.00 175.17 176.69 1ozo h PHE 71 N -1.73 0.63 0.37 -5.34 -5.15 -1.96 -0.09 116.94 103.67 1ozo h PHE 71 Ca -0.53 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.24 1ozo h PHE 71 Cb 1.32 -0.21 0.00 0.00 0.22 0.00 0.00 35.95 37.28 1ozo h PHE 71 CO 0.32 0.40 -0.18 0.66 -2.00 0.00 0.00 178.31 177.51 1ozo h SER 72 N 0.68 -0.42 -0.40 -0.68 4.64 -1.98 0.19 113.55 115.57 1ozo h SER 72 Ca 0.18 -0.13 0.08 0.00 -0.47 0.00 0.00 61.79 61.45 1ozo h SER 72 Cb -0.07 0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.05 1ozo h SER 72 CO -0.04 -0.08 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.42 1ozo h GLU 73 N -0.79 0.01 0.12 4.77 5.08 -1.83 -1.52 114.58 120.42 1ozo h GLU 73 Ca -0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ozo h GLU 73 Cb 0.52 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ozo h GLU 73 CO 0.08 0.01 -0.08 0.35 -1.00 0.00 0.00 179.01 178.37 1ozo h PHE 74 N 0.01 -0.22 -0.81 4.33 3.57 -1.01 -2.38 116.94 120.43 1ozo h PHE 74 Ca 0.19 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1ozo h PHE 74 Cb 0.29 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 1ozo h PHE 74 CO -0.35 -0.12 0.43 0.97 -2.23 0.00 0.00 178.31 177.01 1ozo h ILE 75 N -0.19 0.81 -0.06 1.41 6.09 -0.44 0.61 117.51 125.75 1ozo h ILE 75 Ca -0.02 -0.23 0.03 0.00 -1.37 0.00 0.00 64.86 63.28 1ozo h ILE 75 Cb 0.16 0.08 -0.04 0.00 0.47 0.00 0.00 36.82 37.48 1ozo h ILE 75 CO 0.01 0.12 -0.19 0.58 -3.07 0.00 0.00 178.15 175.60 1ozo h VAL 76 N 0.67 0.53 0.00 2.19 2.07 -1.35 -2.51 116.25 117.86 1ozo h VAL 76 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1ozo h VAL 76 Cb 0.49 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ozo h VAL 76 CO -0.30 0.00 -0.17 0.49 0.02 0.00 0.00 177.57 177.60 1ozo n PHE 77 N -5.32 0.60 0.04 1.57 3.01 -0.40 -3.04 117.46 113.91 1ozo n PHE 77 Ca -0.04 0.17 -0.11 0.00 1.01 0.00 0.00 57.45 58.48 1ozo n PHE 77 Cb 0.24 -0.74 -0.06 0.00 -0.01 0.00 0.00 39.48 38.91 1ozo n PHE 77 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ozo h VAL 78 N 0.00 0.88 0.00 -4.37 2.07 0.50 0.53 116.25 115.87 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 0.68 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ozo h VAL 78 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1ozo n ALA 79 N -2.22 1.07 0.02 1.67 0.00 -0.97 -0.58 120.51 119.50 1ozo n ALA 79 Ca -0.06 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1ozo n ALA 79 Cb 0.09 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.26 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 2.04 0.17 -0.72 0.00 0.00 -1.00 -3.41 119.26 116.33 1ozo h ALA 80 Ca 0.00 -1.09 0.15 0.00 0.00 0.00 0.00 54.91 53.97 1ozo h ALA 80 Cb 0.03 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 1ozo h ALA 80 CO 0.00 0.85 0.22 0.82 0.00 0.00 0.00 179.25 181.14 1ozo h ILE 81 N -0.25 0.58 -0.65 0.00 1.08 0.25 0.41 117.51 118.94 1ozo h ILE 81 Ca -0.31 -0.11 0.13 0.00 -0.39 0.00 0.00 64.86 64.17 1ozo h ILE 81 Cb 1.81 0.22 -0.12 0.00 -3.07 0.00 0.00 36.82 35.65 1ozo h ILE 81 CO 0.08 0.06 -0.23 0.00 -0.69 0.00 0.00 178.15 177.36 1ozo h THR 82 N 0.33 0.26 0.09 -0.27 1.03 -1.66 0.26 112.91 112.95 1ozo h THR 82 Ca 0.40 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.80 1ozo h THR 82 Cb 0.65 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1ozo h THR 82 CO -0.45 0.00 -0.04 -1.28 -0.01 0.00 0.00 175.52 173.73 1ozo h SER 83 N -0.06 -0.10 0.15 0.00 0.87 -1.35 -3.30 113.55 109.75 1ozo h SER 83 Ca 0.29 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1ozo h SER 83 Cb 0.52 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1ozo h SER 83 CO -0.70 0.42 0.00 0.00 -0.53 0.00 0.00 176.83 176.02 1ozo n ALA 84 N -2.44 1.19 0.17 6.23 0.00 0.13 -0.90 120.51 124.89 1ozo n ALA 84 Ca -0.08 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1ozo n ALA 84 Cb 0.27 -1.12 0.36 0.00 0.00 0.00 0.00 19.45 18.95 1ozo n ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ozo h SER 85 N 0.00 0.00 0.13 0.00 4.64 -0.58 0.53 113.55 118.27 1ozo h SER 85 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ozo h SER 85 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1ozo h SER 85 CO 0.00 0.00 -0.78 1.41 -0.87 0.00 0.00 176.83 176.59 1ozo n HIS 86 N -2.07 0.00 -0.12 4.77 8.25 -0.08 -4.37 115.22 121.60 1ozo n HIS 86 Ca -0.01 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.69 1ozo n HIS 86 Cb 0.34 -0.07 0.68 0.00 1.12 0.00 0.00 29.99 32.06 1ozo n HIS 86 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1ozo h LYS 87 N 0.34 0.06 0.00 -0.41 1.57 -1.09 -2.69 116.57 114.36 1ozo h LYS 87 Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ozo h LYS 87 Cb 0.53 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ozo h LYS 87 CO 0.00 0.04 -0.02 1.88 -0.57 0.00 0.00 179.45 180.78 1ozo h TYR 88 N 0.07 0.00 0.00 -1.35 -1.99 -1.76 -3.46 116.97 108.48 1ozo h TYR 88 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1ozo h TYR 88 Cb 1.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.09 1ozo h TYR 88 CO -0.00 0.02 0.00 0.34 -0.00 0.00 0.00 178.16 178.52 1ozo n PHE 89 N -3.48 0.00 0.30 4.88 -0.00 -1.01 -4.08 117.46 114.08 1ozo n PHE 89 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.59 1ozo n PHE 89 Cb 0.12 0.00 0.87 0.00 -0.00 0.00 0.00 39.48 40.47 1ozo n PHE 89 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1ozo h GLU 90 N 0.00 0.00 0.00 -4.13 4.11 -1.90 0.28 114.58 112.94 1ozo h GLU 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ozo h GLU 90 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ozo h GLU 90 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.25 1ozo n LYS 91 N -3.06 0.00 0.00 1.06 0.00 -1.26 -4.82 118.16 110.08 1ozo n LYS 91 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1ozo n LYS 91 Cb 0.36 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.18 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 -1.79 0.00 0.26 3.15 5.66 -1.09 -4.48 114.28 115.99 1ozo n THR 92 Ca 0.00 -0.12 0.12 0.00 -3.05 0.00 0.00 64.05 61.00 1ozo n THR 92 Cb 0.00 0.77 0.59 0.00 -1.55 0.00 0.00 70.33 70.14 1ozo n THR 92 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1ozo h GLY 93 N 0.00 0.00 -0.20 1.09 0.00 -0.73 -0.34 103.07 102.88 1ozo h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ozo h GLY 93 CO 0.00 0.00 -0.10 1.47 0.00 0.00 0.00 176.54 177.91 1ozo n LEU 94 N -2.32 1.75 0.00 3.11 -0.00 -0.69 -4.97 117.00 113.87 1ozo n LEU 94 Ca -0.00 -2.44 0.00 0.00 -0.00 0.00 0.00 56.01 53.57 1ozo n LEU 94 Cb 0.12 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 1ozo n LEU 94 CO 0.15 0.57 0.00 0.29 -0.00 0.00 0.00 177.39 178.39