#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oyy n TRP 2 N 0.00 0.82 -3.86 1.09 4.27 -1.26 -4.65 117.44 113.85 2oyy n TRP 2 Ca 0.00 0.25 -0.30 0.00 -3.89 0.00 0.00 57.50 53.56 2oyy n TRP 2 Cb 0.00 -0.92 -0.14 0.00 -1.36 0.00 0.00 31.31 28.88 2oyy n TRP 2 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2oyy s LEU 3 N -5.33 3.56 -0.16 5.67 2.96 -1.26 -4.99 118.68 119.14 2oyy s LEU 3 Ca -0.02 -2.37 -0.26 0.00 -0.22 0.00 0.00 54.13 51.26 2oyy s LEU 3 Cb 0.10 -1.31 -0.24 0.00 0.50 0.00 0.00 46.19 45.24 2oyy s LEU 3 CO 0.81 -0.32 0.61 1.55 -1.32 0.00 0.00 176.35 177.68 2oyy h PRO 4 N 7.23 0.01 -4.69 0.98 0.13 -2.03 -3.49 132.00 130.14 2oyy h PRO 4 Ca -0.06 -0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.67 2oyy h PRO 4 Cb 0.96 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.97 2oyy h PRO 4 CO 0.54 1.01 -0.48 0.95 -0.23 0.00 0.00 178.00 179.79 2oyy s THR 5 N -2.27 0.00 -0.98 1.56 -4.23 -1.26 -5.03 115.64 103.43 2oyy s THR 5 Ca -0.22 -1.93 0.17 0.00 -1.18 0.00 0.00 61.69 58.53 2oyy s THR 5 Cb -0.00 -2.51 -0.14 0.00 1.34 0.00 0.00 72.50 71.19 2oyy s THR 5 CO 0.67 0.00 0.75 0.18 -0.54 0.00 0.00 174.62 175.68 2oyy n LEU 6 N -0.51 1.01 -4.66 4.79 4.77 -1.26 -4.98 117.00 116.16 2oyy n LEU 6 Ca 0.05 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 55.04 2oyy n LEU 6 Cb 0.63 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2oyy n LEU 6 CO 0.32 0.23 1.06 -0.69 -1.33 0.00 0.00 177.39 176.98 2oyy s VAL 7 N -2.44 4.33 -0.01 4.08 1.01 -1.26 -4.72 120.40 121.39 2oyy s VAL 7 Ca 0.08 1.61 0.07 0.00 0.00 0.00 0.00 61.98 63.74 2oyy s VAL 7 Cb 0.13 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2oyy s VAL 7 CO 0.62 -0.14 -0.24 -0.89 0.00 0.00 0.00 175.10 174.45 2oyy s THR 8 N 3.46 2.27 0.10 3.92 2.01 -1.26 -5.05 115.64 121.08 2oyy s THR 8 Ca 0.53 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2oyy s THR 8 Cb -0.21 -1.82 -0.12 0.00 0.01 0.00 0.00 72.50 70.36 2oyy s THR 8 CO 0.14 0.54 1.63 0.00 -0.69 0.00 0.00 174.62 176.24 2oyy h ALA 9 N 5.33 -0.60 -3.78 7.40 0.00 -1.95 -3.45 119.26 122.21 2oyy h ALA 9 Ca -0.44 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 53.91 2oyy h ALA 9 Cb 1.13 0.42 -0.25 0.00 0.00 0.00 0.00 17.79 19.10 2oyy h ALA 9 CO 0.47 -0.87 -0.80 0.95 0.00 0.00 0.00 179.25 179.00 2oyy s THR 10 N -6.04 1.22 0.47 0.00 -4.23 -1.26 -5.03 115.64 100.77 2oyy s THR 10 Ca -0.16 -1.06 0.33 0.00 -1.18 0.00 0.00 61.69 59.62 2oyy s THR 10 Cb 0.06 -1.10 0.53 0.00 1.34 0.00 0.00 72.50 73.34 2oyy s THR 10 CO 0.64 0.02 1.67 -0.65 -0.54 0.00 0.00 174.62 175.76 2oyy h PRO 11 N 4.87 0.10 -0.08 3.99 0.11 -1.97 0.33 132.00 139.34 2oyy h PRO 11 Ca -0.39 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 2oyy h PRO 11 Cb 1.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2oyy h PRO 11 CO 0.44 0.06 0.01 0.37 -0.21 0.00 0.00 178.00 178.67 2oyy h GLN 12 N 0.10 0.14 0.00 1.05 4.15 -1.99 0.11 115.11 118.67 2oyy h GLN 12 Ca 0.77 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 60.13 2oyy h GLN 12 Cb 2.60 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 30.27 2oyy h GLN 12 CO -0.25 0.39 -0.06 0.93 -1.93 0.00 0.00 178.83 177.90 2oyy h GLU 13 N -0.12 0.00 -0.85 1.69 5.08 -0.91 -2.09 114.58 117.39 2oyy h GLU 13 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2oyy h GLU 13 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2oyy h GLU 13 CO 0.00 0.06 0.44 0.78 -1.00 0.00 0.00 179.01 179.29 2oyy h GLY 14 N 0.24 1.28 0.90 -3.84 0.00 0.53 -2.09 103.07 100.10 2oyy h GLY 14 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 2oyy h GLY 14 CO 0.01 0.58 -0.18 -2.75 0.00 0.00 0.00 176.54 174.20 2oyy h PHE 15 N 1.20 0.71 -0.89 5.60 3.57 -0.16 -3.00 116.94 123.96 2oyy h PHE 15 Ca 0.30 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2oyy h PHE 15 Cb 0.07 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2oyy h PHE 15 CO 0.01 0.87 0.50 -0.44 -2.23 0.00 0.00 178.31 177.03 2oyy h ASP 16 N 0.34 1.09 -0.48 0.41 3.32 -1.37 -0.61 116.42 119.13 2oyy h ASP 16 Ca 0.06 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2oyy h ASP 16 Cb 0.71 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2oyy h ASP 16 CO 0.05 0.87 0.32 0.25 -1.72 0.00 0.00 179.24 179.00 2oyy h LEU 17 N 1.23 0.50 -0.59 1.55 5.85 -1.42 0.92 115.31 123.35 2oyy h LEU 17 Ca 0.31 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 2oyy h LEU 17 Cb -0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2oyy h LEU 17 CO -0.05 0.35 -0.26 0.00 -0.34 0.00 0.00 178.44 178.15 2oyy h ALA 18 N 1.71 0.91 0.13 1.25 0.00 -1.01 -1.24 119.26 121.01 2oyy h ALA 18 Ca 0.19 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 2oyy h ALA 18 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2oyy h ALA 18 CO -0.04 0.32 -1.28 0.28 0.00 0.00 0.00 179.25 178.52 2oyy h VAL 19 N 0.00 1.46 0.51 0.00 2.07 -0.35 -3.18 116.25 116.76 2oyy h VAL 19 Ca -0.00 -3.03 -0.03 0.00 0.82 0.00 0.00 66.70 64.46 2oyy h VAL 19 Cb 0.98 2.93 0.01 0.00 -1.52 0.00 0.00 31.29 33.68 2oyy h VAL 19 CO 0.03 0.88 -0.25 0.50 0.02 0.00 0.00 177.57 178.76 2oyy h LYS 20 N 0.07 -0.66 -1.54 1.57 3.64 -0.47 -2.80 116.57 116.38 2oyy h LYS 20 Ca -0.15 0.05 0.45 0.00 -1.27 0.00 0.00 60.65 59.72 2oyy h LYS 20 Cb 1.98 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.89 2oyy h LYS 20 CO 0.20 -0.44 1.10 -0.07 -2.27 0.00 0.00 179.45 177.97 2oyy h LEU 21 N -0.76 0.02 -0.31 5.20 3.38 -1.37 0.63 115.31 122.10 2oyy h LEU 21 Ca -0.07 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2oyy h LEU 21 Cb 0.53 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2oyy h LEU 21 CO 0.12 -0.01 -0.85 0.28 0.09 0.00 0.00 178.44 178.06 2oyy h SER 22 N 0.01 0.07 0.10 -0.43 0.02 -1.50 -3.10 113.55 108.72 2oyy h SER 22 Ca 0.74 -0.06 -0.28 0.00 -0.84 0.00 0.00 61.79 61.35 2oyy h SER 22 Cb 2.93 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 65.44 2oyy h SER 22 CO -0.03 0.89 -1.45 0.03 -1.14 0.00 0.00 176.83 175.13 2oyy h ARG 23 N 0.03 0.22 -0.77 3.45 3.08 0.44 -3.35 114.38 117.47 2oyy h ARG 23 Ca -0.02 -0.37 0.07 0.00 0.07 0.00 0.00 59.98 59.73 2oyy h ARG 23 Cb 1.50 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.63 2oyy h ARG 23 CO 0.12 1.18 0.51 -0.84 -1.07 0.00 0.00 179.97 179.86 2oyy h ILE 24 N -0.34 1.01 -0.95 2.04 -0.00 -1.10 0.21 117.51 118.37 2oyy h ILE 24 Ca -0.32 -0.27 0.05 0.00 -0.00 0.00 0.00 64.86 64.32 2oyy h ILE 24 Cb 1.73 0.15 -0.06 0.00 -0.00 0.00 0.00 36.82 38.64 2oyy h ILE 24 CO 0.03 0.14 0.62 0.00 -0.00 0.00 0.00 178.15 178.95 2oyy h ALA 25 N 1.59 1.42 -0.22 0.16 0.00 -1.70 0.13 119.26 120.64 2oyy h ALA 25 Ca 0.34 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2oyy h ALA 25 Cb 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2oyy h ALA 25 CO -0.12 0.47 -0.26 0.28 0.00 0.00 0.00 179.25 179.62 2oyy h VAL 26 N 1.15 1.32 -0.36 0.00 2.07 -0.85 -2.77 116.25 116.81 2oyy h VAL 26 Ca 0.39 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2oyy h VAL 26 Cb 0.08 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2oyy h VAL 26 CO -0.13 0.45 0.08 0.50 0.02 0.00 0.00 177.57 178.48 2oyy h LYS 27 N 0.25 0.19 -0.81 1.57 3.64 -0.20 -0.40 116.57 120.82 2oyy h LYS 27 Ca 0.03 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2oyy h LYS 27 Cb 0.82 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 2oyy h LYS 27 CO 0.06 0.13 0.36 0.87 -2.27 0.00 0.00 179.45 178.60 2oyy h LYS 28 N 0.20 1.19 0.00 1.90 1.57 -0.75 -2.54 116.57 118.13 2oyy h LYS 28 Ca 0.17 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2oyy h LYS 28 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2oyy h LYS 28 CO -0.22 0.94 -0.63 1.79 -0.57 0.00 0.00 179.45 180.75 2oyy h THR 29 N 1.17 1.02 -2.78 -0.16 1.35 -1.21 -3.38 112.91 108.91 2oyy h THR 29 Ca 0.28 -2.45 -0.60 0.00 -0.55 0.00 0.00 66.41 63.08 2oyy h THR 29 Cb 0.16 2.50 -0.40 0.00 -1.73 0.00 0.00 68.15 68.69 2oyy h THR 29 CO -0.03 0.58 -0.79 -1.58 -0.25 0.00 0.00 175.52 173.45 2oyy s GLN 30 N -2.91 1.13 0.00 4.72 2.00 -0.18 -4.98 119.66 119.44 2oyy s GLN 30 Ca 0.03 -1.96 0.29 0.00 -2.00 0.00 0.00 55.36 51.73 2oyy s GLN 30 Cb 0.08 -2.00 1.36 0.00 0.80 0.00 0.00 33.01 33.25 2oyy s GLN 30 CO 0.76 -1.22 1.93 -0.35 -0.50 0.00 0.00 175.29 175.91 2oyy n PRO 31 N 3.42 1.09 -2.34 1.67 -0.04 -0.98 -4.49 135.00 133.34 2oyy n PRO 31 Ca 0.14 -0.40 -0.35 0.00 -0.04 0.00 0.00 63.50 62.85 2oyy n PRO 31 Cb 0.37 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 2oyy n PRO 31 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2oyy s ASP 32 N -2.19 5.95 0.30 3.54 3.68 -1.26 -4.82 116.67 121.87 2oyy s ASP 32 Ca 0.37 -1.60 0.08 0.00 2.13 0.00 0.00 52.55 53.54 2oyy s ASP 32 Cb 0.21 -2.57 0.44 0.00 -1.45 0.00 0.00 42.92 39.54 2oyy s ASP 32 CO 0.40 -2.06 1.08 0.00 0.13 0.00 0.00 175.17 174.72 2oyy n ALA 33 N 11.17 0.41 -0.01 3.66 0.00 -1.26 -0.79 120.51 133.69 2oyy n ALA 33 Ca 0.42 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.74 2oyy n ALA 33 Cb 0.48 -0.51 -0.14 0.00 0.00 0.00 0.00 19.45 19.28 2oyy n ALA 33 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2oyy h GLN 34 N 0.00 0.18 -0.37 0.00 4.15 -1.96 -3.24 115.11 113.88 2oyy h GLN 34 Ca 0.00 -0.31 -0.06 0.00 0.77 0.00 0.00 58.65 59.04 2oyy h GLN 34 Cb 0.88 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 2oyy h GLN 34 CO 0.00 1.15 -0.03 -0.39 -1.93 0.00 0.00 178.83 177.63 2oyy h VAL 35 N -0.55 1.22 -0.87 2.39 -1.51 -1.37 -1.24 116.25 114.32 2oyy h VAL 35 Ca -0.19 -0.90 0.18 0.00 -1.23 0.00 0.00 66.70 64.55 2oyy h VAL 35 Cb 1.51 0.97 -0.06 0.00 -2.13 0.00 0.00 31.29 31.58 2oyy h VAL 35 CO 0.05 0.31 0.57 0.03 -1.23 0.00 0.00 177.57 177.30 2oyy h ARG 36 N 0.56 0.46 -0.20 5.19 3.08 -1.64 0.21 114.38 122.04 2oyy h ARG 36 Ca 0.11 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 2oyy h ARG 36 Cb 0.40 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.35 2oyy h ARG 36 CO 0.02 0.30 -0.60 -0.44 -1.07 0.00 0.00 179.97 178.18 2oyy h ASP 37 N 0.47 0.88 -0.61 7.04 3.32 -1.26 -1.29 116.42 124.98 2oyy h ASP 37 Ca 0.44 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2oyy h ASP 37 Cb 1.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 2oyy h ASP 37 CO -0.17 1.31 0.32 0.74 -1.72 0.00 0.00 179.24 179.71 2oyy h THR 38 N 0.50 1.20 -0.03 0.35 2.02 -0.61 -2.79 112.91 113.55 2oyy h THR 38 Ca -0.02 -0.54 -0.15 0.00 0.77 0.00 0.00 66.41 66.47 2oyy h THR 38 Cb 1.22 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2oyy h THR 38 CO 0.13 0.23 -0.68 -0.07 0.37 0.00 0.00 175.52 175.50 2oyy h LEU 39 N 0.83 0.15 -0.21 2.58 3.38 -0.71 -3.08 115.31 118.25 2oyy h LEU 39 Ca 0.21 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2oyy h LEU 39 Cb 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2oyy h LEU 39 CO -0.03 0.79 0.05 -0.09 0.09 0.00 0.00 178.44 179.24 2oyy h ARG 40 N 0.09 0.13 -0.00 1.13 9.65 -1.12 -0.46 114.38 123.80 2oyy h ARG 40 Ca -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2oyy h ARG 40 Cb 1.21 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2oyy h ARG 40 CO 0.10 0.08 0.00 0.00 2.80 0.00 0.00 179.97 182.96 2oyy h ALA 41 N 1.15 1.73 0.01 2.80 0.00 -1.50 -1.16 119.26 122.29 2oyy h ALA 41 Ca 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2oyy h ALA 41 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2oyy h ALA 41 CO -0.12 -0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.40 2oyy h VAL 42 N 0.00 1.60 0.04 0.00 2.07 -1.17 -3.39 116.25 115.39 2oyy h VAL 42 Ca 0.00 -1.87 -0.23 0.00 0.82 0.00 0.00 66.70 65.42 2oyy h VAL 42 Cb 0.01 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2oyy h VAL 42 CO -0.00 0.48 -1.08 0.10 0.02 0.00 0.00 177.57 177.09 2oyy h TYR 43 N -0.82 0.16 0.00 1.57 -0.00 -1.00 -3.28 116.97 113.61 2oyy h TYR 43 Ca -0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 58.73 58.61 2oyy h TYR 43 Cb 0.79 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.51 2oyy h TYR 43 CO 0.20 1.09 0.00 -0.85 -0.00 0.00 0.00 178.16 178.61 2oyy n GLU 44 N -3.41 0.00 -0.23 0.10 0.28 -0.45 -0.33 120.64 116.60 2oyy n GLU 44 Ca -0.03 0.45 0.07 0.00 -0.16 0.00 0.00 57.16 57.49 2oyy n GLU 44 Cb 0.97 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 32.43 2oyy n GLU 44 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2oyy n LYS 45 N -1.48 0.88 -4.00 3.44 2.85 -1.24 -5.01 118.16 113.60 2oyy n LYS 45 Ca 0.01 -2.10 -0.34 0.00 -1.05 0.00 0.00 58.31 54.82 2oyy n LYS 45 Cb 0.02 -1.18 -0.15 0.00 -0.65 0.00 0.00 35.03 33.08 2oyy n LYS 45 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2oyy s ASP 46 N -2.30 3.85 0.02 -5.58 -1.08 0.55 -5.05 116.67 107.09 2oyy s ASP 46 Ca 0.22 -0.56 -0.27 0.00 -0.52 0.00 0.00 52.55 51.42 2oyy s ASP 46 Cb 0.20 -1.63 -0.15 0.00 -1.46 0.00 0.00 42.92 39.88 2oyy s ASP 46 CO 0.02 -0.03 1.14 0.00 0.52 0.00 0.00 175.17 176.82 2oyy h ALA 47 N 8.03 -0.95 -0.79 3.66 0.00 -1.95 -1.72 119.26 125.55 2oyy h ALA 47 Ca -0.42 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.47 2oyy h ALA 47 Cb 1.14 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.16 2oyy h ALA 47 CO 0.61 -0.89 0.05 -0.91 0.00 0.00 0.00 179.25 178.12 2oyy h ASN 48 N -1.23 -0.28 0.12 0.00 -0.26 -1.96 -1.51 115.58 110.46 2oyy h ASN 48 Ca -0.10 0.20 0.02 0.00 -0.56 0.00 0.00 56.30 55.86 2oyy h ASN 48 Cb 0.74 0.33 -0.04 0.00 -1.06 0.00 0.00 38.32 38.29 2oyy h ASN 48 CO 0.16 -0.18 -0.34 0.00 -1.06 0.00 0.00 177.43 176.01 2oyy h ALA 49 N 1.74 -0.58 -0.13 -0.83 0.00 -1.84 0.59 119.26 118.21 2oyy h ALA 49 Ca 0.45 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2oyy h ALA 49 Cb 0.82 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2oyy h ALA 49 CO -0.67 -0.88 0.09 -0.07 0.00 0.00 0.00 179.25 177.72 2oyy h LEU 50 N -0.56 0.00 -0.04 0.00 3.38 -0.49 0.52 115.31 118.12 2oyy h LEU 50 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2oyy h LEU 50 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2oyy h LEU 50 CO -0.20 0.00 -0.20 0.40 0.09 0.00 0.00 178.44 178.53 2oyy h ILE 51 N 0.00 1.48 0.00 1.22 2.04 -0.85 -2.44 117.51 118.95 2oyy h ILE 51 Ca 0.06 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 2oyy h ILE 51 Cb 0.25 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2oyy h ILE 51 CO -0.00 0.47 -0.09 0.00 0.00 0.00 0.00 178.15 178.53 2oyy h ALA 52 N 0.37 1.82 -0.32 1.87 0.00 0.04 -0.30 119.26 122.75 2oyy h ALA 52 Ca -0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2oyy h ALA 52 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2oyy h ALA 52 CO 0.04 0.12 -0.48 0.28 0.00 0.00 0.00 179.25 179.21 2oyy h VAL 53 N 0.00 1.28 -0.28 0.00 2.07 0.01 -3.07 116.25 116.26 2oyy h VAL 53 Ca -0.00 -1.66 -0.13 0.00 0.82 0.00 0.00 66.70 65.73 2oyy h VAL 53 Cb 0.17 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2oyy h VAL 53 CO 0.01 0.55 -0.36 -1.28 0.02 0.00 0.00 177.57 176.50 2oyy h SER 54 N 0.68 0.65 -0.50 0.57 0.87 -0.74 -3.07 113.55 112.01 2oyy h SER 54 Ca 0.03 -0.28 0.06 0.00 -1.23 0.00 0.00 61.79 60.38 2oyy h SER 54 Cb 1.07 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 2oyy h SER 54 CO 0.11 0.95 0.21 0.00 -0.53 0.00 0.00 176.83 177.57 2oyy h ALA 55 N 1.08 0.63 -0.88 6.23 0.00 -1.02 -1.29 119.26 124.00 2oyy h ALA 55 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2oyy h ALA 55 Cb 0.87 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2oyy h ALA 55 CO 0.07 -0.17 0.54 0.28 0.00 0.00 0.00 179.25 179.97 2oyy h VAL 56 N 0.41 1.24 0.00 0.00 2.07 -1.45 -2.06 116.25 116.47 2oyy h VAL 56 Ca 0.23 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2oyy h VAL 56 Cb 0.21 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2oyy h VAL 56 CO -0.21 0.25 0.00 1.62 0.02 0.00 0.00 177.57 179.25 2oyy h VAL 57 N 1.22 0.00 -0.17 2.57 3.04 -1.37 -2.15 116.25 119.39 2oyy h VAL 57 Ca 0.32 -0.60 -0.20 0.00 -1.01 0.00 0.00 66.70 65.20 2oyy h VAL 57 Cb -0.06 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2oyy h VAL 57 CO -0.06 0.00 -0.70 0.00 -1.01 0.00 0.00 177.57 175.80 2oyy h ALA 58 N 2.39 0.45 -0.11 3.17 0.00 -0.59 -1.53 119.26 123.03 2oyy h ALA 58 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2oyy h ALA 58 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2oyy h ALA 58 CO 0.00 0.70 -0.23 1.15 0.00 0.00 0.00 179.25 180.87 2oyy h THR 59 N 0.49 1.38 -0.26 0.00 2.02 -1.07 -2.29 112.91 113.19 2oyy h THR 59 Ca -0.03 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 2oyy h THR 59 Cb 1.30 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 2oyy h THR 59 CO 0.14 0.44 0.15 0.45 0.37 0.00 0.00 175.52 177.07 2oyy h HIS 60 N -0.07 0.34 -0.29 3.16 3.86 -1.48 -2.66 115.15 118.01 2oyy h HIS 60 Ca 0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2oyy h HIS 60 Cb 0.83 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 2oyy h HIS 60 CO 0.11 0.27 0.20 0.35 0.86 0.00 0.00 177.93 179.71 2oyy h PHE 61 N 0.32 0.26 -0.50 2.45 3.57 -1.30 0.53 116.94 122.26 2oyy h PHE 61 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2oyy h PHE 61 Cb 0.03 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2oyy h PHE 61 CO -0.04 0.15 0.24 0.37 -2.23 0.00 0.00 178.31 176.80 2oyy h GLN 62 N 0.27 0.72 -0.26 1.11 4.15 -1.08 0.92 115.11 120.93 2oyy h GLN 62 Ca 0.12 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2oyy h GLN 62 Cb 0.15 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2oyy h GLN 62 CO -0.02 0.60 0.08 1.15 -1.93 0.00 0.00 178.83 178.71 2oyy h THR 63 N 0.67 1.19 0.00 2.39 2.02 -0.65 -2.61 112.91 115.92 2oyy h THR 63 Ca 0.17 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 2oyy h THR 63 Cb 0.12 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2oyy h THR 63 CO -0.02 0.20 -0.35 -0.29 0.37 0.00 0.00 175.52 175.43 2oyy h ILE 64 N 0.26 0.42 0.88 3.11 2.10 -1.17 -1.76 117.51 121.34 2oyy h ILE 64 Ca 0.08 -1.60 -0.04 0.00 1.08 0.00 0.00 64.86 64.38 2oyy h ILE 64 Cb 0.23 2.17 0.01 0.00 -1.09 0.00 0.00 36.82 38.14 2oyy h ILE 64 CO -0.00 0.24 -0.42 0.00 -1.08 0.00 0.00 178.15 176.88 2oyy h ALA 65 N 1.75 -1.18 -0.65 0.18 0.00 -0.83 -1.82 119.26 116.71 2oyy h ALA 65 Ca -0.01 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.77 2oyy h ALA 65 Cb 1.20 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 19.32 2oyy h ALA 65 CO 0.03 -1.11 -0.23 0.00 0.00 0.00 0.00 179.25 177.94 2oyy h ALA 66 N -1.24 0.28 -0.35 0.00 0.00 -1.43 -0.67 119.26 115.85 2oyy h ALA 66 Ca -0.12 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2oyy h ALA 66 Cb 0.91 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 2oyy h ALA 66 CO 0.20 -0.51 -0.46 0.00 0.00 0.00 0.00 179.25 178.48 2oyy h ALA 67 N 1.45 -0.55 0.00 0.00 0.00 -1.25 -0.46 119.26 118.45 2oyy h ALA 67 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2oyy h ALA 67 Cb 0.52 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2oyy h ALA 67 CO -0.70 -0.92 0.00 0.09 0.00 0.00 0.00 179.25 177.72 2oyy n ASN 68 N -5.41 0.80 -2.70 0.00 4.13 -0.55 -4.77 115.26 106.76 2oyy n ASN 68 Ca -0.02 -1.23 -0.07 0.00 1.68 0.00 0.00 54.58 54.95 2oyy n ASN 68 Cb 0.35 -0.31 -0.01 0.00 -1.54 0.00 0.00 39.78 38.28 2oyy n ASN 68 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2oyy n ASP 69 N 0.27 -1.72 -1.67 6.41 4.64 -0.18 -0.37 116.55 123.93 2oyy n ASP 69 Ca 0.00 0.26 -0.18 0.00 -1.38 0.00 0.00 54.79 53.48 2oyy n ASP 69 Cb 0.18 -1.57 -0.05 0.00 -1.04 0.00 0.00 41.12 38.64 2oyy n ASP 69 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 2oyy n TYR 70 N -2.86 -0.34 -0.30 -0.67 4.01 -0.37 -5.01 117.16 111.63 2oyy n TYR 70 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2oyy n TYR 70 Cb 0.52 -3.30 0.00 0.00 -0.31 0.00 0.00 39.34 36.24 2oyy n TYR 70 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31